USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.522 X(o=0.52,f=0.062) USER MOD Single : A 26 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.048) USER MOD Single : A 30 LYS NZ :NH3+ -128:sc= 1.04 (180deg=-0.214!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.007) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -17:sc= 0.854 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -28:sc= 0.989 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -129:sc= 0.00626 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0392 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -25:sc= 0.158 USER MOD Single : A 80 GLN : amide:sc= 0.49 K(o=0.49,f=-0.064) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.704 K(o=0.7,f=-0.018) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N LYS A 11 6.646 -13.520 5.791 1.00 13.24 N ATOM 147 CA LYS A 11 5.595 -13.591 4.774 1.00 64.41 C ATOM 148 C LYS A 11 6.183 -13.039 3.482 1.00 33.22 C ATOM 149 O LYS A 11 6.798 -11.972 3.517 1.00 41.02 O ATOM 150 CB LYS A 11 4.415 -12.711 5.197 1.00 12.53 C ATOM 151 CG LYS A 11 3.425 -13.331 6.189 1.00 44.20 C ATOM 152 CD LYS A 11 3.960 -13.432 7.624 1.00 62.13 C ATOM 153 CE LYS A 11 2.823 -13.407 8.650 1.00 74.50 C ATOM 154 NZ LYS A 11 1.956 -14.603 8.609 1.00 40.41 N ATOM 0 HA LYS A 11 5.248 -14.616 4.647 1.00 64.41 H new ATOM 0 HB2 LYS A 11 4.811 -11.796 5.637 1.00 12.53 H new ATOM 0 HB3 LYS A 11 3.866 -12.422 4.301 1.00 12.53 H new ATOM 0 HG2 LYS A 11 2.511 -12.737 6.194 1.00 44.20 H new ATOM 0 HG3 LYS A 11 3.155 -14.328 5.842 1.00 44.20 H new ATOM 0 HD2 LYS A 11 4.532 -14.353 7.736 1.00 62.13 H new ATOM 0 HD3 LYS A 11 4.644 -12.606 7.817 1.00 62.13 H new ATOM 0 HE2 LYS A 11 3.249 -13.313 9.649 1.00 74.50 H new ATOM 0 HE3 LYS A 11 2.212 -12.521 8.480 1.00 74.50 H new ATOM 0 HZ1 LYS A 11 1.211 -14.516 9.329 1.00 40.41 H new ATOM 0 HZ2 LYS A 11 1.521 -14.684 7.668 1.00 40.41 H new ATOM 0 HZ3 LYS A 11 2.526 -15.452 8.801 1.00 40.41 H new ATOM 168 N ASP A 12 5.940 -13.678 2.337 1.00 42.32 N ATOM 169 CA ASP A 12 6.506 -13.219 1.065 1.00 21.10 C ATOM 170 C ASP A 12 5.905 -11.913 0.568 1.00 64.11 C ATOM 171 O ASP A 12 6.608 -11.112 -0.048 1.00 22.35 O ATOM 172 CB ASP A 12 6.420 -14.311 -0.007 1.00 24.42 C ATOM 173 CG ASP A 12 5.248 -14.176 -0.980 1.00 54.44 C ATOM 174 OD1 ASP A 12 4.103 -14.499 -0.589 1.00 3.10 O ATOM 175 OD2 ASP A 12 5.470 -13.825 -2.167 1.00 53.34 O ATOM 0 H ASP A 12 5.357 -14.512 2.263 1.00 42.32 H new ATOM 0 HA ASP A 12 7.557 -13.009 1.264 1.00 21.10 H new ATOM 0 HB2 ASP A 12 7.348 -14.311 -0.579 1.00 24.42 H new ATOM 0 HB3 ASP A 12 6.351 -15.280 0.488 1.00 24.42 H new ATOM 180 N LYS A 13 4.619 -11.676 0.838 1.00 24.35 N ATOM 181 CA LYS A 13 3.983 -10.440 0.400 1.00 33.34 C ATOM 182 C LYS A 13 4.483 -9.319 1.278 1.00 33.33 C ATOM 183 O LYS A 13 4.955 -8.314 0.771 1.00 22.23 O ATOM 184 CB LYS A 13 2.445 -10.517 0.424 1.00 0.42 C ATOM 185 CG LYS A 13 1.874 -11.789 -0.215 1.00 22.13 C ATOM 186 CD LYS A 13 2.391 -12.109 -1.619 1.00 71.23 C ATOM 187 CE LYS A 13 1.941 -11.226 -2.785 1.00 11.14 C ATOM 188 NZ LYS A 13 2.677 -11.642 -4.000 1.00 11.12 N ATOM 0 H LYS A 13 4.010 -12.314 1.349 1.00 24.35 H new ATOM 0 HA LYS A 13 4.251 -10.260 -0.641 1.00 33.34 H new ATOM 0 HB2 LYS A 13 2.105 -10.458 1.458 1.00 0.42 H new ATOM 0 HB3 LYS A 13 2.040 -9.648 -0.095 1.00 0.42 H new ATOM 0 HG2 LYS A 13 2.097 -12.634 0.437 1.00 22.13 H new ATOM 0 HG3 LYS A 13 0.789 -11.697 -0.258 1.00 22.13 H new ATOM 0 HD2 LYS A 13 3.480 -12.082 -1.585 1.00 71.23 H new ATOM 0 HD3 LYS A 13 2.105 -13.135 -1.851 1.00 71.23 H new ATOM 0 HE2 LYS A 13 0.867 -11.323 -2.941 1.00 11.14 H new ATOM 0 HE3 LYS A 13 2.137 -10.177 -2.564 1.00 11.14 H new ATOM 0 HZ1 LYS A 13 2.383 -11.051 -4.804 1.00 11.12 H new ATOM 0 HZ2 LYS A 13 3.699 -11.529 -3.843 1.00 11.12 H new ATOM 0 HZ3 LYS A 13 2.467 -12.639 -4.209 1.00 11.12 H new ATOM 202 N LEU A 14 4.430 -9.508 2.595 1.00 54.24 N ATOM 203 CA LEU A 14 4.865 -8.467 3.513 1.00 20.43 C ATOM 204 C LEU A 14 6.324 -8.100 3.301 1.00 12.14 C ATOM 205 O LEU A 14 6.668 -6.941 3.481 1.00 61.13 O ATOM 206 CB LEU A 14 4.600 -8.869 4.965 1.00 3.10 C ATOM 207 CG LEU A 14 3.143 -9.298 5.217 1.00 13.22 C ATOM 208 CD1 LEU A 14 2.951 -9.583 6.703 1.00 14.12 C ATOM 209 CD2 LEU A 14 2.151 -8.227 4.758 1.00 24.14 C ATOM 0 H LEU A 14 4.094 -10.361 3.042 1.00 54.24 H new ATOM 0 HA LEU A 14 4.275 -7.576 3.297 1.00 20.43 H new ATOM 0 HB2 LEU A 14 5.266 -9.688 5.236 1.00 3.10 H new ATOM 0 HB3 LEU A 14 4.844 -8.031 5.618 1.00 3.10 H new ATOM 0 HG LEU A 14 2.947 -10.199 4.636 1.00 13.22 H new ATOM 0 HD11 LEU A 14 1.920 -9.887 6.885 1.00 14.12 H new ATOM 0 HD12 LEU A 14 3.625 -10.383 7.010 1.00 14.12 H new ATOM 0 HD13 LEU A 14 3.171 -8.683 7.277 1.00 14.12 H new ATOM 0 HD21 LEU A 14 1.134 -8.566 4.952 1.00 24.14 H new ATOM 0 HD22 LEU A 14 2.336 -7.302 5.304 1.00 24.14 H new ATOM 0 HD23 LEU A 14 2.276 -8.049 3.690 1.00 24.14 H new ATOM 221 N GLN A 15 7.156 -9.043 2.860 1.00 30.51 N ATOM 222 CA GLN A 15 8.570 -8.815 2.626 1.00 52.43 C ATOM 223 C GLN A 15 8.812 -7.684 1.620 1.00 23.40 C ATOM 224 O GLN A 15 9.651 -6.825 1.891 1.00 64.13 O ATOM 225 CB GLN A 15 9.196 -10.136 2.173 1.00 62.12 C ATOM 226 CG GLN A 15 10.720 -10.135 2.193 1.00 12.02 C ATOM 227 CD GLN A 15 11.210 -11.545 1.882 1.00 42.00 C ATOM 228 OE1 GLN A 15 11.247 -11.974 0.725 1.00 13.44 O ATOM 229 NE2 GLN A 15 11.517 -12.326 2.903 1.00 52.24 N ATOM 0 H GLN A 15 6.857 -9.996 2.655 1.00 30.51 H new ATOM 0 HA GLN A 15 9.046 -8.485 3.550 1.00 52.43 H new ATOM 0 HB2 GLN A 15 8.834 -10.938 2.817 1.00 62.12 H new ATOM 0 HB3 GLN A 15 8.856 -10.360 1.162 1.00 62.12 H new ATOM 0 HG2 GLN A 15 11.108 -9.429 1.459 1.00 12.02 H new ATOM 0 HG3 GLN A 15 11.086 -9.814 3.168 1.00 12.02 H new ATOM 0 HE21 GLN A 15 11.482 -11.959 3.854 1.00 52.24 H new ATOM 0 HE22 GLN A 15 11.789 -13.296 2.740 1.00 52.24 H new ATOM 238 N VAL A 16 8.109 -7.660 0.481 1.00 53.03 N ATOM 239 CA VAL A 16 8.322 -6.596 -0.502 1.00 63.44 C ATOM 240 C VAL A 16 7.788 -5.254 0.020 1.00 13.24 C ATOM 241 O VAL A 16 8.376 -4.217 -0.285 1.00 74.35 O ATOM 242 CB VAL A 16 7.787 -6.967 -1.906 1.00 3.45 C ATOM 243 CG1 VAL A 16 8.399 -8.270 -2.433 1.00 14.53 C ATOM 244 CG2 VAL A 16 6.274 -7.144 -1.976 1.00 71.55 C ATOM 0 H VAL A 16 7.403 -8.350 0.222 1.00 53.03 H new ATOM 0 HA VAL A 16 9.397 -6.477 -0.635 1.00 63.44 H new ATOM 0 HB VAL A 16 8.078 -6.112 -2.516 1.00 3.45 H new ATOM 0 HG11 VAL A 16 7.993 -8.489 -3.421 1.00 14.53 H new ATOM 0 HG12 VAL A 16 9.482 -8.162 -2.501 1.00 14.53 H new ATOM 0 HG13 VAL A 16 8.158 -9.087 -1.752 1.00 14.53 H new ATOM 0 HG21 VAL A 16 5.985 -7.403 -2.995 1.00 71.55 H new ATOM 0 HG22 VAL A 16 5.969 -7.942 -1.299 1.00 71.55 H new ATOM 0 HG23 VAL A 16 5.785 -6.214 -1.685 1.00 71.55 H new ATOM 254 N ILE A 17 6.701 -5.249 0.808 1.00 54.43 N ATOM 255 CA ILE A 17 6.150 -4.000 1.344 1.00 51.00 C ATOM 256 C ILE A 17 7.101 -3.446 2.401 1.00 44.41 C ATOM 257 O ILE A 17 7.370 -2.254 2.457 1.00 22.31 O ATOM 258 CB ILE A 17 4.740 -4.123 1.967 1.00 35.22 C ATOM 259 CG1 ILE A 17 3.807 -5.135 1.287 1.00 44.24 C ATOM 260 CG2 ILE A 17 4.119 -2.717 1.929 1.00 25.42 C ATOM 261 CD1 ILE A 17 2.547 -5.437 2.106 1.00 71.33 C ATOM 0 H ILE A 17 6.192 -6.089 1.085 1.00 54.43 H new ATOM 0 HA ILE A 17 6.048 -3.334 0.488 1.00 51.00 H new ATOM 0 HB ILE A 17 4.856 -4.512 2.979 1.00 35.22 H new ATOM 0 HG12 ILE A 17 3.514 -4.751 0.310 1.00 44.24 H new ATOM 0 HG13 ILE A 17 4.352 -6.063 1.114 1.00 44.24 H new ATOM 0 HG21 ILE A 17 3.118 -2.750 2.359 1.00 25.42 H new ATOM 0 HG22 ILE A 17 4.739 -2.030 2.504 1.00 25.42 H new ATOM 0 HG23 ILE A 17 4.059 -2.374 0.896 1.00 25.42 H new ATOM 0 HD11 ILE A 17 1.930 -6.159 1.571 1.00 71.33 H new ATOM 0 HD12 ILE A 17 2.832 -5.850 3.074 1.00 71.33 H new ATOM 0 HD13 ILE A 17 1.982 -4.517 2.257 1.00 71.33 H new ATOM 273 N ASP A 18 7.599 -4.312 3.265 1.00 24.11 N ATOM 274 CA ASP A 18 8.522 -3.937 4.325 1.00 53.24 C ATOM 275 C ASP A 18 9.814 -3.399 3.706 1.00 72.10 C ATOM 276 O ASP A 18 10.394 -2.452 4.228 1.00 2.53 O ATOM 277 CB ASP A 18 8.760 -5.128 5.248 1.00 41.11 C ATOM 278 CG ASP A 18 9.354 -4.677 6.574 1.00 11.31 C ATOM 279 OD1 ASP A 18 8.617 -4.071 7.385 1.00 20.22 O ATOM 280 OD2 ASP A 18 10.502 -5.079 6.867 1.00 13.41 O ATOM 0 H ASP A 18 7.373 -5.306 3.252 1.00 24.11 H new ATOM 0 HA ASP A 18 8.098 -3.141 4.937 1.00 53.24 H new ATOM 0 HB2 ASP A 18 7.819 -5.650 5.425 1.00 41.11 H new ATOM 0 HB3 ASP A 18 9.433 -5.838 4.766 1.00 41.11 H new ATOM 285 N TRP A 19 10.229 -3.964 2.562 1.00 62.12 N ATOM 286 CA TRP A 19 11.422 -3.546 1.839 1.00 21.21 C ATOM 287 C TRP A 19 11.194 -2.123 1.331 1.00 22.12 C ATOM 288 O TRP A 19 11.972 -1.230 1.658 1.00 70.14 O ATOM 289 CB TRP A 19 11.711 -4.526 0.684 1.00 74.31 C ATOM 290 CG TRP A 19 12.674 -4.050 -0.362 1.00 12.35 C ATOM 291 CD1 TRP A 19 12.337 -3.380 -1.487 1.00 55.42 C ATOM 292 CD2 TRP A 19 14.131 -4.135 -0.373 1.00 65.31 C ATOM 293 NE1 TRP A 19 13.477 -3.024 -2.174 1.00 24.35 N ATOM 294 CE2 TRP A 19 14.617 -3.429 -1.513 1.00 15.43 C ATOM 295 CE3 TRP A 19 15.093 -4.723 0.474 1.00 30.32 C ATOM 296 CZ2 TRP A 19 15.986 -3.248 -1.757 1.00 31.55 C ATOM 297 CZ3 TRP A 19 16.471 -4.582 0.215 1.00 4.31 C ATOM 298 CH2 TRP A 19 16.918 -3.830 -0.885 1.00 34.04 C ATOM 0 H TRP A 19 9.733 -4.734 2.114 1.00 62.12 H new ATOM 0 HA TRP A 19 12.294 -3.556 2.492 1.00 21.21 H new ATOM 0 HB2 TRP A 19 12.097 -5.452 1.109 1.00 74.31 H new ATOM 0 HB3 TRP A 19 10.767 -4.768 0.196 1.00 74.31 H new ATOM 0 HD1 TRP A 19 11.327 -3.158 -1.800 1.00 55.42 H new ATOM 0 HE1 TRP A 19 13.477 -2.523 -3.062 1.00 24.35 H new ATOM 0 HE3 TRP A 19 14.769 -5.290 1.334 1.00 30.32 H new ATOM 0 HZ2 TRP A 19 16.318 -2.668 -2.605 1.00 31.55 H new ATOM 0 HZ3 TRP A 19 17.190 -5.056 0.867 1.00 4.31 H new ATOM 0 HH2 TRP A 19 17.976 -3.701 -1.058 1.00 34.04 H new ATOM 309 N LEU A 20 10.106 -1.878 0.585 1.00 42.25 N ATOM 310 CA LEU A 20 9.822 -0.542 0.058 1.00 72.53 C ATOM 311 C LEU A 20 9.609 0.491 1.175 1.00 21.02 C ATOM 312 O LEU A 20 9.981 1.653 1.005 1.00 10.34 O ATOM 313 CB LEU A 20 8.734 -0.561 -1.025 1.00 30.43 C ATOM 314 CG LEU A 20 7.313 -0.946 -0.592 1.00 4.54 C ATOM 315 CD1 LEU A 20 6.444 0.262 -0.235 1.00 22.01 C ATOM 316 CD2 LEU A 20 6.604 -1.768 -1.666 1.00 62.21 C ATOM 0 H LEU A 20 9.414 -2.585 0.336 1.00 42.25 H new ATOM 0 HA LEU A 20 10.715 -0.197 -0.463 1.00 72.53 H new ATOM 0 HB2 LEU A 20 8.691 0.430 -1.477 1.00 30.43 H new ATOM 0 HB3 LEU A 20 9.048 -1.254 -1.805 1.00 30.43 H new ATOM 0 HG LEU A 20 7.440 -1.547 0.308 1.00 4.54 H new ATOM 0 HD11 LEU A 20 5.452 -0.078 0.063 1.00 22.01 H new ATOM 0 HD12 LEU A 20 6.902 0.809 0.589 1.00 22.01 H new ATOM 0 HD13 LEU A 20 6.358 0.917 -1.102 1.00 22.01 H new ATOM 0 HD21 LEU A 20 5.600 -2.023 -1.326 1.00 62.21 H new ATOM 0 HD22 LEU A 20 6.538 -1.186 -2.585 1.00 62.21 H new ATOM 0 HD23 LEU A 20 7.166 -2.682 -1.855 1.00 62.21 H new ATOM 328 N ILE A 21 9.046 0.083 2.317 1.00 74.44 N ATOM 329 CA ILE A 21 8.806 0.952 3.466 1.00 30.01 C ATOM 330 C ILE A 21 10.147 1.390 4.065 1.00 14.11 C ATOM 331 O ILE A 21 10.289 2.553 4.458 1.00 25.43 O ATOM 332 CB ILE A 21 7.902 0.227 4.497 1.00 51.41 C ATOM 333 CG1 ILE A 21 6.436 0.255 4.005 1.00 15.25 C ATOM 334 CG2 ILE A 21 8.021 0.819 5.916 1.00 61.44 C ATOM 335 CD1 ILE A 21 5.490 -0.630 4.821 1.00 14.04 C ATOM 0 H ILE A 21 8.740 -0.878 2.468 1.00 74.44 H new ATOM 0 HA ILE A 21 8.277 1.852 3.154 1.00 30.01 H new ATOM 0 HB ILE A 21 8.244 -0.805 4.571 1.00 51.41 H new ATOM 0 HG12 ILE A 21 6.073 1.282 4.035 1.00 15.25 H new ATOM 0 HG13 ILE A 21 6.407 -0.063 2.963 1.00 15.25 H new ATOM 0 HG21 ILE A 21 7.366 0.272 6.594 1.00 61.44 H new ATOM 0 HG22 ILE A 21 9.052 0.735 6.260 1.00 61.44 H new ATOM 0 HG23 ILE A 21 7.729 1.869 5.898 1.00 61.44 H new ATOM 0 HD11 ILE A 21 4.481 -0.556 4.414 1.00 14.04 H new ATOM 0 HD12 ILE A 21 5.827 -1.665 4.771 1.00 14.04 H new ATOM 0 HD13 ILE A 21 5.487 -0.299 5.860 1.00 14.04 H new ATOM 347 N GLU A 22 11.114 0.477 4.178 1.00 13.41 N ATOM 348 CA GLU A 22 12.420 0.791 4.741 1.00 72.12 C ATOM 349 C GLU A 22 13.313 1.509 3.723 1.00 23.13 C ATOM 350 O GLU A 22 14.151 2.321 4.120 1.00 71.22 O ATOM 351 CB GLU A 22 13.055 -0.491 5.313 1.00 71.32 C ATOM 352 CG GLU A 22 13.860 -0.239 6.595 1.00 4.43 C ATOM 353 CD GLU A 22 12.964 0.146 7.778 1.00 20.32 C ATOM 354 OE1 GLU A 22 12.648 -0.713 8.635 1.00 54.40 O ATOM 355 OE2 GLU A 22 12.530 1.321 7.872 1.00 21.34 O ATOM 0 H GLU A 22 11.011 -0.494 3.883 1.00 13.41 H new ATOM 0 HA GLU A 22 12.301 1.494 5.566 1.00 72.12 H new ATOM 0 HB2 GLU A 22 12.270 -1.218 5.520 1.00 71.32 H new ATOM 0 HB3 GLU A 22 13.708 -0.933 4.561 1.00 71.32 H new ATOM 0 HG2 GLU A 22 14.427 -1.135 6.848 1.00 4.43 H new ATOM 0 HG3 GLU A 22 14.584 0.556 6.416 1.00 4.43 H new ATOM 362 N ASN A 23 13.090 1.270 2.427 1.00 73.12 N ATOM 363 CA ASN A 23 13.812 1.852 1.294 1.00 21.31 C ATOM 364 C ASN A 23 13.593 3.358 1.246 1.00 41.31 C ATOM 365 O ASN A 23 14.557 4.098 1.064 1.00 12.40 O ATOM 366 CB ASN A 23 13.309 1.245 -0.029 1.00 14.54 C ATOM 367 CG ASN A 23 14.194 0.183 -0.660 1.00 14.31 C ATOM 368 OD1 ASN A 23 14.266 0.101 -1.884 1.00 52.22 O ATOM 369 ND2 ASN A 23 14.845 -0.668 0.107 1.00 4.11 N ATOM 0 H ASN A 23 12.358 0.628 2.124 1.00 73.12 H new ATOM 0 HA ASN A 23 14.872 1.635 1.422 1.00 21.31 H new ATOM 0 HB2 ASN A 23 12.325 0.811 0.146 1.00 14.54 H new ATOM 0 HB3 ASN A 23 13.178 2.053 -0.749 1.00 14.54 H new ATOM 0 HD21 ASN A 23 15.414 -1.402 -0.314 1.00 4.11 H new ATOM 0 HD22 ASN A 23 14.780 -0.593 1.122 1.00 4.11 H new ATOM 376 N PHE A 24 12.343 3.818 1.386 1.00 54.40 N ATOM 377 CA PHE A 24 12.011 5.240 1.362 1.00 54.11 C ATOM 378 C PHE A 24 11.573 5.706 2.753 1.00 3.04 C ATOM 379 O PHE A 24 10.375 5.790 3.042 1.00 41.34 O ATOM 380 CB PHE A 24 11.018 5.594 0.238 1.00 1.12 C ATOM 381 CG PHE A 24 11.706 6.218 -0.964 1.00 20.10 C ATOM 382 CD1 PHE A 24 12.165 7.550 -0.906 1.00 34.23 C ATOM 383 CD2 PHE A 24 11.899 5.474 -2.140 1.00 1.31 C ATOM 384 CE1 PHE A 24 12.809 8.131 -2.012 1.00 74.31 C ATOM 385 CE2 PHE A 24 12.528 6.059 -3.253 1.00 45.03 C ATOM 386 CZ PHE A 24 12.991 7.384 -3.188 1.00 13.31 C ATOM 0 H PHE A 24 11.535 3.210 1.519 1.00 54.40 H new ATOM 0 HA PHE A 24 12.911 5.802 1.112 1.00 54.11 H new ATOM 0 HB2 PHE A 24 10.491 4.693 -0.075 1.00 1.12 H new ATOM 0 HB3 PHE A 24 10.268 6.284 0.623 1.00 1.12 H new ATOM 0 HD1 PHE A 24 12.021 8.128 -0.005 1.00 34.23 H new ATOM 0 HD2 PHE A 24 11.563 4.449 -2.189 1.00 1.31 H new ATOM 0 HE1 PHE A 24 13.163 9.150 -1.958 1.00 74.31 H new ATOM 0 HE2 PHE A 24 12.656 5.488 -4.161 1.00 45.03 H new ATOM 0 HZ PHE A 24 13.485 7.827 -4.040 1.00 13.31 H new ATOM 396 N PRO A 25 12.520 6.073 3.636 1.00 10.10 N ATOM 397 CA PRO A 25 12.227 6.553 4.982 1.00 42.21 C ATOM 398 C PRO A 25 11.667 7.997 4.959 1.00 75.22 C ATOM 399 O PRO A 25 11.790 8.701 5.959 1.00 73.41 O ATOM 400 CB PRO A 25 13.559 6.435 5.736 1.00 21.53 C ATOM 401 CG PRO A 25 14.589 6.701 4.649 1.00 40.43 C ATOM 402 CD PRO A 25 13.965 6.022 3.438 1.00 74.12 C ATOM 0 HA PRO A 25 11.447 5.972 5.474 1.00 42.21 H new ATOM 0 HB2 PRO A 25 13.630 7.160 6.546 1.00 21.53 H new ATOM 0 HB3 PRO A 25 13.686 5.448 6.180 1.00 21.53 H new ATOM 0 HG2 PRO A 25 14.740 7.768 4.484 1.00 40.43 H new ATOM 0 HG3 PRO A 25 15.561 6.276 4.897 1.00 40.43 H new ATOM 0 HD2 PRO A 25 14.249 6.532 2.518 1.00 74.12 H new ATOM 0 HD3 PRO A 25 14.309 4.991 3.351 1.00 74.12 H new ATOM 410 N ASN A 26 11.131 8.502 3.831 1.00 34.11 N ATOM 411 CA ASN A 26 10.609 9.876 3.739 1.00 33.21 C ATOM 412 C ASN A 26 9.136 9.952 4.133 1.00 23.23 C ATOM 413 O ASN A 26 8.674 11.021 4.538 1.00 32.03 O ATOM 414 CB ASN A 26 10.756 10.418 2.300 1.00 71.31 C ATOM 415 CG ASN A 26 12.174 10.733 1.827 1.00 3.33 C ATOM 416 OD1 ASN A 26 12.368 11.259 0.738 1.00 15.14 O ATOM 417 ND2 ASN A 26 13.198 10.394 2.593 1.00 61.00 N ATOM 0 H ASN A 26 11.049 7.971 2.964 1.00 34.11 H new ATOM 0 HA ASN A 26 11.194 10.480 4.433 1.00 33.21 H new ATOM 0 HB2 ASN A 26 10.323 9.688 1.616 1.00 71.31 H new ATOM 0 HB3 ASN A 26 10.160 11.326 2.216 1.00 71.31 H new ATOM 0 HD21 ASN A 26 14.152 10.571 2.277 1.00 61.00 H new ATOM 0 HD22 ASN A 26 13.034 9.956 3.499 1.00 61.00 H new ATOM 424 N ALA A 27 8.412 8.829 4.083 1.00 72.51 N ATOM 425 CA ALA A 27 7.005 8.676 4.436 1.00 43.33 C ATOM 426 C ALA A 27 6.571 7.254 4.100 1.00 24.23 C ATOM 427 O ALA A 27 6.675 6.853 2.945 1.00 34.25 O ATOM 428 CB ALA A 27 6.178 9.610 3.534 1.00 52.02 C ATOM 0 H ALA A 27 8.824 7.948 3.774 1.00 72.51 H new ATOM 0 HA ALA A 27 6.861 8.899 5.493 1.00 43.33 H new ATOM 0 HB1 ALA A 27 5.121 9.512 3.781 1.00 52.02 H new ATOM 0 HB2 ALA A 27 6.493 10.641 3.692 1.00 52.02 H new ATOM 0 HB3 ALA A 27 6.333 9.339 2.490 1.00 52.02 H new ATOM 434 N PHE A 28 6.127 6.487 5.093 1.00 65.11 N ATOM 435 CA PHE A 28 5.606 5.128 4.995 1.00 72.05 C ATOM 436 C PHE A 28 5.200 4.651 6.393 1.00 23.34 C ATOM 437 O PHE A 28 5.585 5.292 7.377 1.00 34.53 O ATOM 438 CB PHE A 28 6.555 4.158 4.272 1.00 64.52 C ATOM 439 CG PHE A 28 6.293 3.953 2.784 1.00 61.12 C ATOM 440 CD1 PHE A 28 4.973 3.805 2.311 1.00 65.31 C ATOM 441 CD2 PHE A 28 7.362 3.908 1.863 1.00 61.24 C ATOM 442 CE1 PHE A 28 4.714 3.590 0.953 1.00 74.10 C ATOM 443 CE2 PHE A 28 7.103 3.667 0.498 1.00 32.24 C ATOM 444 CZ PHE A 28 5.776 3.519 0.049 1.00 63.04 C ATOM 0 H PHE A 28 6.122 6.824 6.056 1.00 65.11 H new ATOM 0 HA PHE A 28 4.721 5.141 4.359 1.00 72.05 H new ATOM 0 HB2 PHE A 28 7.576 4.520 4.395 1.00 64.52 H new ATOM 0 HB3 PHE A 28 6.499 3.189 4.768 1.00 64.52 H new ATOM 0 HD1 PHE A 28 4.149 3.858 3.008 1.00 65.31 H new ATOM 0 HD2 PHE A 28 8.376 4.058 2.203 1.00 61.24 H new ATOM 0 HE1 PHE A 28 3.697 3.479 0.605 1.00 74.10 H new ATOM 0 HE2 PHE A 28 7.922 3.596 -0.203 1.00 32.24 H new ATOM 0 HZ PHE A 28 5.579 3.350 -0.999 1.00 63.04 H new ATOM 454 N PHE A 29 4.479 3.527 6.520 1.00 3.35 N ATOM 455 CA PHE A 29 4.084 3.003 7.826 1.00 61.12 C ATOM 456 C PHE A 29 3.955 1.483 7.760 1.00 60.42 C ATOM 457 O PHE A 29 3.166 0.938 6.986 1.00 64.14 O ATOM 458 CB PHE A 29 2.774 3.620 8.304 1.00 72.43 C ATOM 459 CG PHE A 29 2.845 5.085 8.698 1.00 33.21 C ATOM 460 CD1 PHE A 29 2.509 6.093 7.774 1.00 52.45 C ATOM 461 CD2 PHE A 29 3.261 5.444 9.994 1.00 0.33 C ATOM 462 CE1 PHE A 29 2.570 7.447 8.150 1.00 62.22 C ATOM 463 CE2 PHE A 29 3.277 6.795 10.385 1.00 33.22 C ATOM 464 CZ PHE A 29 2.930 7.798 9.463 1.00 11.25 C ATOM 0 H PHE A 29 4.160 2.966 5.730 1.00 3.35 H new ATOM 0 HA PHE A 29 4.859 3.271 8.544 1.00 61.12 H new ATOM 0 HB2 PHE A 29 2.032 3.510 7.514 1.00 72.43 H new ATOM 0 HB3 PHE A 29 2.415 3.049 9.160 1.00 72.43 H new ATOM 0 HD1 PHE A 29 2.203 5.826 6.773 1.00 52.45 H new ATOM 0 HD2 PHE A 29 3.569 4.679 10.691 1.00 0.33 H new ATOM 0 HE1 PHE A 29 2.340 8.218 7.429 1.00 62.22 H new ATOM 0 HE2 PHE A 29 3.556 7.062 11.394 1.00 33.22 H new ATOM 0 HZ PHE A 29 2.940 8.836 9.763 1.00 11.25 H new ATOM 474 N LYS A 30 4.718 0.793 8.606 1.00 21.42 N ATOM 475 CA LYS A 30 4.728 -0.672 8.671 1.00 61.45 C ATOM 476 C LYS A 30 3.378 -1.228 9.093 1.00 31.51 C ATOM 477 O LYS A 30 2.826 -2.086 8.409 1.00 50.24 O ATOM 478 CB LYS A 30 5.792 -1.237 9.633 1.00 33.01 C ATOM 479 CG LYS A 30 7.240 -1.250 9.129 1.00 3.00 C ATOM 480 CD LYS A 30 8.012 0.029 9.465 1.00 63.35 C ATOM 481 CE LYS A 30 9.490 -0.198 9.115 1.00 71.01 C ATOM 482 NZ LYS A 30 10.349 0.939 9.493 1.00 1.34 N ATOM 0 H LYS A 30 5.352 1.236 9.271 1.00 21.42 H new ATOM 0 HA LYS A 30 4.971 -0.988 7.656 1.00 61.45 H new ATOM 0 HB2 LYS A 30 5.758 -0.658 10.556 1.00 33.01 H new ATOM 0 HB3 LYS A 30 5.511 -2.259 9.888 1.00 33.01 H new ATOM 0 HG2 LYS A 30 7.760 -2.104 9.563 1.00 3.00 H new ATOM 0 HG3 LYS A 30 7.240 -1.392 8.048 1.00 3.00 H new ATOM 0 HD2 LYS A 30 7.613 0.873 8.902 1.00 63.35 H new ATOM 0 HD3 LYS A 30 7.904 0.272 10.522 1.00 63.35 H new ATOM 0 HE2 LYS A 30 9.844 -1.098 9.619 1.00 71.01 H new ATOM 0 HE3 LYS A 30 9.582 -0.376 8.044 1.00 71.01 H new ATOM 0 HZ1 LYS A 30 10.918 1.232 8.673 1.00 1.34 H new ATOM 0 HZ2 LYS A 30 9.755 1.734 9.804 1.00 1.34 H new ATOM 0 HZ3 LYS A 30 10.981 0.654 10.268 1.00 1.34 H new ATOM 496 N LYS A 31 2.868 -0.779 10.240 1.00 21.13 N ATOM 497 CA LYS A 31 1.602 -1.265 10.781 1.00 65.43 C ATOM 498 C LYS A 31 0.391 -0.467 10.335 1.00 34.13 C ATOM 499 O LYS A 31 0.431 0.760 10.296 1.00 50.53 O ATOM 500 CB LYS A 31 1.674 -1.262 12.313 1.00 21.55 C ATOM 501 CG LYS A 31 1.428 -2.670 12.854 1.00 23.35 C ATOM 502 CD LYS A 31 1.461 -2.739 14.387 1.00 22.41 C ATOM 503 CE LYS A 31 2.683 -3.493 14.928 1.00 15.54 C ATOM 504 NZ LYS A 31 3.974 -2.905 14.518 1.00 32.31 N ATOM 0 H LYS A 31 3.320 -0.070 10.817 1.00 21.13 H new ATOM 0 HA LYS A 31 1.466 -2.273 10.389 1.00 65.43 H new ATOM 0 HB2 LYS A 31 2.651 -0.905 12.638 1.00 21.55 H new ATOM 0 HB3 LYS A 31 0.932 -0.574 12.718 1.00 21.55 H new ATOM 0 HG2 LYS A 31 0.460 -3.025 12.501 1.00 23.35 H new ATOM 0 HG3 LYS A 31 2.182 -3.345 12.449 1.00 23.35 H new ATOM 0 HD2 LYS A 31 1.458 -1.727 14.791 1.00 22.41 H new ATOM 0 HD3 LYS A 31 0.553 -3.227 14.743 1.00 22.41 H new ATOM 0 HE2 LYS A 31 2.633 -3.514 16.017 1.00 15.54 H new ATOM 0 HE3 LYS A 31 2.641 -4.527 14.587 1.00 15.54 H new ATOM 0 HZ1 LYS A 31 4.753 -3.465 14.919 1.00 32.31 H new ATOM 0 HZ2 LYS A 31 4.043 -2.909 13.480 1.00 32.31 H new ATOM 0 HZ3 LYS A 31 4.036 -1.927 14.866 1.00 32.31 H new ATOM 518 N GLY A 32 -0.736 -1.161 10.191 1.00 15.54 N ATOM 519 CA GLY A 32 -2.006 -0.584 9.789 1.00 10.33 C ATOM 520 C GLY A 32 -2.529 0.383 10.846 1.00 71.23 C ATOM 521 O GLY A 32 -3.003 1.456 10.493 1.00 64.40 O ATOM 0 H GLY A 32 -0.787 -2.166 10.356 1.00 15.54 H new ATOM 0 HA2 GLY A 32 -1.887 -0.061 8.840 1.00 10.33 H new ATOM 0 HA3 GLY A 32 -2.734 -1.378 9.626 1.00 10.33 H new ATOM 525 N ASN A 33 -2.364 0.079 12.139 1.00 45.32 N ATOM 526 CA ASN A 33 -2.848 0.957 13.216 1.00 1.51 C ATOM 527 C ASN A 33 -2.291 2.391 13.145 1.00 70.22 C ATOM 528 O ASN A 33 -2.847 3.277 13.785 1.00 55.31 O ATOM 529 CB ASN A 33 -2.608 0.341 14.612 1.00 50.43 C ATOM 530 CG ASN A 33 -1.319 0.791 15.301 1.00 52.45 C ATOM 531 OD1 ASN A 33 -1.316 1.242 16.437 1.00 3.44 O ATOM 532 ND2 ASN A 33 -0.176 0.662 14.648 1.00 75.41 N ATOM 0 H ASN A 33 -1.899 -0.768 12.467 1.00 45.32 H new ATOM 0 HA ASN A 33 -3.923 1.039 13.056 1.00 1.51 H new ATOM 0 HB2 ASN A 33 -3.453 0.592 15.254 1.00 50.43 H new ATOM 0 HB3 ASN A 33 -2.592 -0.745 14.516 1.00 50.43 H new ATOM 0 HD21 ASN A 33 0.699 0.938 15.093 1.00 75.41 H new ATOM 0 HD22 ASN A 33 -0.170 0.286 13.700 1.00 75.41 H new ATOM 539 N GLN A 34 -1.157 2.597 12.463 1.00 2.44 N ATOM 540 CA GLN A 34 -0.502 3.890 12.277 1.00 1.23 C ATOM 541 C GLN A 34 -0.462 4.322 10.803 1.00 52.35 C ATOM 542 O GLN A 34 0.122 5.356 10.492 1.00 53.51 O ATOM 543 CB GLN A 34 0.883 3.858 12.940 1.00 23.42 C ATOM 544 CG GLN A 34 1.827 2.776 12.388 1.00 32.43 C ATOM 545 CD GLN A 34 3.093 2.659 13.222 1.00 34.53 C ATOM 546 OE1 GLN A 34 3.004 2.460 14.433 1.00 21.14 O ATOM 547 NE2 GLN A 34 4.276 2.691 12.633 1.00 33.45 N ATOM 0 H GLN A 34 -0.654 1.834 12.009 1.00 2.44 H new ATOM 0 HA GLN A 34 -1.094 4.661 12.771 1.00 1.23 H new ATOM 0 HB2 GLN A 34 1.355 4.833 12.815 1.00 23.42 H new ATOM 0 HB3 GLN A 34 0.756 3.700 14.011 1.00 23.42 H new ATOM 0 HG2 GLN A 34 1.311 1.816 12.372 1.00 32.43 H new ATOM 0 HG3 GLN A 34 2.090 3.013 11.357 1.00 32.43 H new ATOM 0 HE21 GLN A 34 4.341 2.857 11.629 1.00 33.45 H new ATOM 0 HE22 GLN A 34 5.123 2.550 13.183 1.00 33.45 H new ATOM 556 N VAL A 35 -1.009 3.521 9.881 1.00 1.53 N ATOM 557 CA VAL A 35 -0.978 3.847 8.462 1.00 25.01 C ATOM 558 C VAL A 35 -1.881 5.029 8.099 1.00 24.41 C ATOM 559 O VAL A 35 -2.927 5.274 8.709 1.00 75.31 O ATOM 560 CB VAL A 35 -1.250 2.578 7.622 1.00 63.24 C ATOM 561 CG1 VAL A 35 -2.731 2.253 7.394 1.00 41.03 C ATOM 562 CG2 VAL A 35 -0.587 2.638 6.242 1.00 74.20 C ATOM 0 H VAL A 35 -1.478 2.642 10.099 1.00 1.53 H new ATOM 0 HA VAL A 35 0.025 4.195 8.215 1.00 25.01 H new ATOM 0 HB VAL A 35 -0.816 1.790 8.237 1.00 63.24 H new ATOM 0 HG11 VAL A 35 -2.817 1.346 6.795 1.00 41.03 H new ATOM 0 HG12 VAL A 35 -3.222 2.101 8.355 1.00 41.03 H new ATOM 0 HG13 VAL A 35 -3.209 3.081 6.870 1.00 41.03 H new ATOM 0 HG21 VAL A 35 -0.808 1.723 5.692 1.00 74.20 H new ATOM 0 HG22 VAL A 35 -0.972 3.496 5.690 1.00 74.20 H new ATOM 0 HG23 VAL A 35 0.492 2.738 6.361 1.00 74.20 H new ATOM 572 N LYS A 36 -1.454 5.737 7.057 1.00 15.43 N ATOM 573 CA LYS A 36 -2.079 6.891 6.433 1.00 50.24 C ATOM 574 C LYS A 36 -1.998 6.653 4.920 1.00 2.01 C ATOM 575 O LYS A 36 -1.170 5.834 4.481 1.00 50.35 O ATOM 576 CB LYS A 36 -1.329 8.175 6.824 1.00 32.43 C ATOM 577 CG LYS A 36 -1.626 8.611 8.267 1.00 72.01 C ATOM 578 CD LYS A 36 -1.216 10.072 8.498 1.00 34.53 C ATOM 579 CE LYS A 36 0.301 10.256 8.395 1.00 42.12 C ATOM 580 NZ LYS A 36 0.686 11.678 8.471 1.00 64.42 N ATOM 0 H LYS A 36 -0.582 5.492 6.588 1.00 15.43 H new ATOM 0 HA LYS A 36 -3.113 7.013 6.756 1.00 50.24 H new ATOM 0 HB2 LYS A 36 -0.257 8.015 6.709 1.00 32.43 H new ATOM 0 HB3 LYS A 36 -1.607 8.977 6.140 1.00 32.43 H new ATOM 0 HG2 LYS A 36 -2.689 8.491 8.475 1.00 72.01 H new ATOM 0 HG3 LYS A 36 -1.090 7.965 8.963 1.00 72.01 H new ATOM 0 HD2 LYS A 36 -1.711 10.709 7.765 1.00 34.53 H new ATOM 0 HD3 LYS A 36 -1.556 10.394 9.482 1.00 34.53 H new ATOM 0 HE2 LYS A 36 0.790 9.704 9.198 1.00 42.12 H new ATOM 0 HE3 LYS A 36 0.656 9.833 7.455 1.00 42.12 H new ATOM 0 HZ1 LYS A 36 1.720 11.762 8.398 1.00 64.42 H new ATOM 0 HZ2 LYS A 36 0.240 12.201 7.690 1.00 64.42 H new ATOM 0 HZ3 LYS A 36 0.370 12.075 9.379 1.00 64.42 H new ATOM 594 N PRO A 37 -2.818 7.324 4.098 1.00 50.13 N ATOM 595 CA PRO A 37 -2.746 7.134 2.666 1.00 72.22 C ATOM 596 C PRO A 37 -1.517 7.833 2.093 1.00 15.43 C ATOM 597 O PRO A 37 -0.966 8.768 2.672 1.00 64.14 O ATOM 598 CB PRO A 37 -4.040 7.721 2.109 1.00 65.32 C ATOM 599 CG PRO A 37 -4.362 8.836 3.101 1.00 22.35 C ATOM 600 CD PRO A 37 -3.850 8.293 4.436 1.00 54.32 C ATOM 0 HA PRO A 37 -2.647 6.082 2.397 1.00 72.22 H new ATOM 0 HB2 PRO A 37 -3.907 8.106 1.098 1.00 65.32 H new ATOM 0 HB3 PRO A 37 -4.835 6.977 2.065 1.00 65.32 H new ATOM 0 HG2 PRO A 37 -3.865 9.768 2.831 1.00 22.35 H new ATOM 0 HG3 PRO A 37 -5.431 9.043 3.137 1.00 22.35 H new ATOM 0 HD2 PRO A 37 -3.447 9.094 5.056 1.00 54.32 H new ATOM 0 HD3 PRO A 37 -4.655 7.826 5.003 1.00 54.32 H new ATOM 608 N LEU A 38 -1.123 7.362 0.921 1.00 3.11 N ATOM 609 CA LEU A 38 -0.012 7.827 0.112 1.00 32.34 C ATOM 610 C LEU A 38 -0.601 8.418 -1.171 1.00 60.22 C ATOM 611 O LEU A 38 -1.796 8.235 -1.446 1.00 34.34 O ATOM 612 CB LEU A 38 0.888 6.649 -0.280 1.00 54.02 C ATOM 613 CG LEU A 38 1.798 6.018 0.784 1.00 45.54 C ATOM 614 CD1 LEU A 38 2.512 7.050 1.651 1.00 61.23 C ATOM 615 CD2 LEU A 38 1.096 4.994 1.673 1.00 12.12 C ATOM 0 H LEU A 38 -1.611 6.584 0.478 1.00 3.11 H new ATOM 0 HA LEU A 38 0.574 8.557 0.670 1.00 32.34 H new ATOM 0 HB2 LEU A 38 0.245 5.861 -0.672 1.00 54.02 H new ATOM 0 HB3 LEU A 38 1.523 6.980 -1.101 1.00 54.02 H new ATOM 0 HG LEU A 38 2.546 5.484 0.198 1.00 45.54 H new ATOM 0 HD11 LEU A 38 3.139 6.540 2.382 1.00 61.23 H new ATOM 0 HD12 LEU A 38 3.134 7.687 1.021 1.00 61.23 H new ATOM 0 HD13 LEU A 38 1.774 7.662 2.170 1.00 61.23 H new ATOM 0 HD21 LEU A 38 1.805 4.594 2.398 1.00 12.12 H new ATOM 0 HD22 LEU A 38 0.271 5.474 2.199 1.00 12.12 H new ATOM 0 HD23 LEU A 38 0.710 4.182 1.057 1.00 12.12 H new ATOM 627 N LYS A 39 0.227 9.135 -1.937 1.00 35.23 N ATOM 628 CA LYS A 39 -0.125 9.753 -3.213 1.00 42.04 C ATOM 629 C LYS A 39 -0.808 8.706 -4.111 1.00 22.11 C ATOM 630 O LYS A 39 -0.524 7.501 -4.018 1.00 62.31 O ATOM 631 CB LYS A 39 1.177 10.323 -3.815 1.00 1.31 C ATOM 632 CG LYS A 39 1.198 10.735 -5.294 1.00 14.42 C ATOM 633 CD LYS A 39 0.270 11.858 -5.766 1.00 33.52 C ATOM 634 CE LYS A 39 0.581 12.087 -7.250 1.00 32.31 C ATOM 635 NZ LYS A 39 0.047 13.367 -7.745 1.00 12.51 N ATOM 0 H LYS A 39 1.197 9.306 -1.673 1.00 35.23 H new ATOM 0 HA LYS A 39 -0.838 10.570 -3.102 1.00 42.04 H new ATOM 0 HB2 LYS A 39 1.456 11.197 -3.226 1.00 1.31 H new ATOM 0 HB3 LYS A 39 1.960 9.578 -3.670 1.00 1.31 H new ATOM 0 HG2 LYS A 39 2.219 11.027 -5.540 1.00 14.42 H new ATOM 0 HG3 LYS A 39 0.969 9.849 -5.886 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -0.775 11.581 -5.627 1.00 33.52 H new ATOM 0 HD3 LYS A 39 0.438 12.768 -5.190 1.00 33.52 H new ATOM 0 HE2 LYS A 39 1.660 12.065 -7.400 1.00 32.31 H new ATOM 0 HE3 LYS A 39 0.161 11.270 -7.837 1.00 32.31 H new ATOM 0 HZ1 LYS A 39 0.283 13.475 -8.752 1.00 12.51 H new ATOM 0 HZ2 LYS A 39 -0.986 13.381 -7.628 1.00 12.51 H new ATOM 0 HZ3 LYS A 39 0.467 14.150 -7.205 1.00 12.51 H new ATOM 649 N ILE A 40 -1.753 9.129 -4.953 1.00 64.45 N ATOM 650 CA ILE A 40 -2.449 8.195 -5.827 1.00 63.54 C ATOM 651 C ILE A 40 -1.467 7.585 -6.834 1.00 72.13 C ATOM 652 O ILE A 40 -0.798 8.291 -7.579 1.00 54.53 O ATOM 653 CB ILE A 40 -3.693 8.839 -6.477 1.00 34.40 C ATOM 654 CG1 ILE A 40 -4.581 7.808 -7.207 1.00 52.54 C ATOM 655 CG2 ILE A 40 -3.364 9.961 -7.468 1.00 50.31 C ATOM 656 CD1 ILE A 40 -5.073 6.659 -6.323 1.00 20.23 C ATOM 0 H ILE A 40 -2.048 10.101 -5.045 1.00 64.45 H new ATOM 0 HA ILE A 40 -2.840 7.370 -5.231 1.00 63.54 H new ATOM 0 HB ILE A 40 -4.232 9.266 -5.631 1.00 34.40 H new ATOM 0 HG12 ILE A 40 -5.445 8.323 -7.627 1.00 52.54 H new ATOM 0 HG13 ILE A 40 -4.021 7.392 -8.044 1.00 52.54 H new ATOM 0 HG21 ILE A 40 -4.288 10.363 -7.882 1.00 50.31 H new ATOM 0 HG22 ILE A 40 -2.822 10.754 -6.953 1.00 50.31 H new ATOM 0 HG23 ILE A 40 -2.747 9.565 -8.275 1.00 50.31 H new ATOM 0 HD11 ILE A 40 -5.689 5.982 -6.915 1.00 20.23 H new ATOM 0 HD12 ILE A 40 -4.217 6.115 -5.924 1.00 20.23 H new ATOM 0 HD13 ILE A 40 -5.664 7.061 -5.500 1.00 20.23 H new ATOM 668 N GLY A 41 -1.416 6.256 -6.876 1.00 60.14 N ATOM 669 CA GLY A 41 -0.554 5.505 -7.774 1.00 4.03 C ATOM 670 C GLY A 41 0.926 5.543 -7.398 1.00 74.42 C ATOM 671 O GLY A 41 1.738 5.196 -8.244 1.00 62.12 O ATOM 0 H GLY A 41 -1.986 5.662 -6.273 1.00 60.14 H new ATOM 0 HA2 GLY A 41 -0.886 4.467 -7.794 1.00 4.03 H new ATOM 0 HA3 GLY A 41 -0.671 5.897 -8.784 1.00 4.03 H new ATOM 675 N ILE A 42 1.271 5.826 -6.136 1.00 64.32 N ATOM 676 CA ILE A 42 2.638 5.912 -5.603 1.00 43.31 C ATOM 677 C ILE A 42 3.508 4.693 -5.949 1.00 41.11 C ATOM 678 O ILE A 42 4.736 4.750 -5.866 1.00 32.44 O ATOM 679 CB ILE A 42 2.600 6.227 -4.090 1.00 21.34 C ATOM 680 CG1 ILE A 42 3.993 6.671 -3.596 1.00 32.23 C ATOM 681 CG2 ILE A 42 1.998 5.048 -3.292 1.00 0.23 C ATOM 682 CD1 ILE A 42 4.011 7.286 -2.198 1.00 11.03 C ATOM 0 H ILE A 42 0.568 6.011 -5.421 1.00 64.32 H new ATOM 0 HA ILE A 42 3.136 6.742 -6.104 1.00 43.31 H new ATOM 0 HB ILE A 42 1.932 7.070 -3.913 1.00 21.34 H new ATOM 0 HG12 ILE A 42 4.659 5.808 -3.607 1.00 32.23 H new ATOM 0 HG13 ILE A 42 4.399 7.396 -4.302 1.00 32.23 H new ATOM 0 HG21 ILE A 42 1.983 5.297 -2.231 1.00 0.23 H new ATOM 0 HG22 ILE A 42 0.981 4.859 -3.634 1.00 0.23 H new ATOM 0 HG23 ILE A 42 2.605 4.156 -3.447 1.00 0.23 H new ATOM 0 HD11 ILE A 42 5.031 7.567 -1.937 1.00 11.03 H new ATOM 0 HD12 ILE A 42 3.375 8.171 -2.182 1.00 11.03 H new ATOM 0 HD13 ILE A 42 3.639 6.559 -1.476 1.00 11.03 H new ATOM 694 N PHE A 43 2.902 3.531 -6.212 1.00 31.33 N ATOM 695 CA PHE A 43 3.650 2.341 -6.589 1.00 75.22 C ATOM 696 C PHE A 43 4.497 2.664 -7.826 1.00 11.54 C ATOM 697 O PHE A 43 5.596 2.142 -7.944 1.00 60.44 O ATOM 698 CB PHE A 43 2.674 1.188 -6.884 1.00 61.41 C ATOM 699 CG PHE A 43 3.129 0.241 -7.983 1.00 2.14 C ATOM 700 CD1 PHE A 43 2.615 0.386 -9.282 1.00 51.51 C ATOM 701 CD2 PHE A 43 4.067 -0.772 -7.719 1.00 11.43 C ATOM 702 CE1 PHE A 43 3.035 -0.473 -10.311 1.00 72.31 C ATOM 703 CE2 PHE A 43 4.518 -1.609 -8.754 1.00 23.25 C ATOM 704 CZ PHE A 43 3.992 -1.467 -10.049 1.00 45.42 C ATOM 0 H PHE A 43 1.892 3.395 -6.169 1.00 31.33 H new ATOM 0 HA PHE A 43 4.306 2.033 -5.775 1.00 75.22 H new ATOM 0 HB2 PHE A 43 2.521 0.616 -5.969 1.00 61.41 H new ATOM 0 HB3 PHE A 43 1.708 1.609 -7.162 1.00 61.41 H new ATOM 0 HD1 PHE A 43 1.893 1.162 -9.491 1.00 51.51 H new ATOM 0 HD2 PHE A 43 4.443 -0.908 -6.716 1.00 11.43 H new ATOM 0 HE1 PHE A 43 2.622 -0.369 -11.304 1.00 72.31 H new ATOM 0 HE2 PHE A 43 5.268 -2.360 -8.554 1.00 23.25 H new ATOM 0 HZ PHE A 43 4.323 -2.121 -10.842 1.00 45.42 H new ATOM 714 N ASP A 44 3.991 3.514 -8.724 1.00 1.33 N ATOM 715 CA ASP A 44 4.677 3.896 -9.955 1.00 71.24 C ATOM 716 C ASP A 44 5.936 4.717 -9.704 1.00 22.42 C ATOM 717 O ASP A 44 6.833 4.731 -10.536 1.00 62.23 O ATOM 718 CB ASP A 44 3.721 4.631 -10.905 1.00 35.13 C ATOM 719 CG ASP A 44 3.883 4.155 -12.346 1.00 21.53 C ATOM 720 OD1 ASP A 44 3.972 2.922 -12.555 1.00 3.22 O ATOM 721 OD2 ASP A 44 3.662 4.946 -13.289 1.00 30.12 O ATOM 0 H ASP A 44 3.081 3.961 -8.612 1.00 1.33 H new ATOM 0 HA ASP A 44 5.003 2.971 -10.431 1.00 71.24 H new ATOM 0 HB2 ASP A 44 2.692 4.471 -10.582 1.00 35.13 H new ATOM 0 HB3 ASP A 44 3.908 5.703 -10.852 1.00 35.13 H new ATOM 726 N ASP A 45 5.968 5.462 -8.599 1.00 72.55 N ATOM 727 CA ASP A 45 7.114 6.280 -8.207 1.00 52.35 C ATOM 728 C ASP A 45 8.189 5.366 -7.608 1.00 50.34 C ATOM 729 O ASP A 45 9.372 5.477 -7.907 1.00 31.32 O ATOM 730 CB ASP A 45 6.690 7.302 -7.129 1.00 41.45 C ATOM 731 CG ASP A 45 6.416 8.722 -7.613 1.00 33.44 C ATOM 732 OD1 ASP A 45 6.246 9.604 -6.740 1.00 40.14 O ATOM 733 OD2 ASP A 45 6.179 8.946 -8.819 1.00 12.43 O ATOM 0 H ASP A 45 5.189 5.514 -7.943 1.00 72.55 H new ATOM 0 HA ASP A 45 7.495 6.807 -9.082 1.00 52.35 H new ATOM 0 HB2 ASP A 45 5.791 6.929 -6.639 1.00 41.45 H new ATOM 0 HB3 ASP A 45 7.472 7.344 -6.371 1.00 41.45 H new ATOM 738 N LEU A 46 7.767 4.457 -6.725 1.00 4.03 N ATOM 739 CA LEU A 46 8.620 3.514 -6.008 1.00 31.42 C ATOM 740 C LEU A 46 9.181 2.399 -6.882 1.00 13.03 C ATOM 741 O LEU A 46 10.324 1.998 -6.666 1.00 44.53 O ATOM 742 CB LEU A 46 7.792 2.952 -4.845 1.00 4.11 C ATOM 743 CG LEU A 46 8.456 1.945 -3.885 1.00 52.21 C ATOM 744 CD1 LEU A 46 8.650 0.548 -4.494 1.00 45.05 C ATOM 745 CD2 LEU A 46 9.757 2.492 -3.285 1.00 14.03 C ATOM 0 H LEU A 46 6.781 4.356 -6.482 1.00 4.03 H new ATOM 0 HA LEU A 46 9.503 4.042 -5.649 1.00 31.42 H new ATOM 0 HB2 LEU A 46 7.442 3.796 -4.250 1.00 4.11 H new ATOM 0 HB3 LEU A 46 6.909 2.473 -5.268 1.00 4.11 H new ATOM 0 HG LEU A 46 7.747 1.814 -3.067 1.00 52.21 H new ATOM 0 HD11 LEU A 46 9.122 -0.106 -3.761 1.00 45.05 H new ATOM 0 HD12 LEU A 46 7.681 0.136 -4.776 1.00 45.05 H new ATOM 0 HD13 LEU A 46 9.285 0.621 -5.377 1.00 45.05 H new ATOM 0 HD21 LEU A 46 10.190 1.749 -2.615 1.00 14.03 H new ATOM 0 HD22 LEU A 46 10.462 2.713 -4.086 1.00 14.03 H new ATOM 0 HD23 LEU A 46 9.545 3.404 -2.727 1.00 14.03 H new ATOM 757 N ILE A 47 8.424 1.888 -7.859 1.00 73.12 N ATOM 758 CA ILE A 47 8.892 0.810 -8.731 1.00 25.45 C ATOM 759 C ILE A 47 10.194 1.246 -9.413 1.00 53.12 C ATOM 760 O ILE A 47 11.058 0.414 -9.681 1.00 32.13 O ATOM 761 CB ILE A 47 7.779 0.416 -9.734 1.00 13.33 C ATOM 762 CG1 ILE A 47 7.891 -1.032 -10.254 1.00 13.44 C ATOM 763 CG2 ILE A 47 7.637 1.448 -10.867 1.00 61.24 C ATOM 764 CD1 ILE A 47 8.689 -1.223 -11.543 1.00 2.31 C ATOM 0 H ILE A 47 7.478 2.208 -8.065 1.00 73.12 H new ATOM 0 HA ILE A 47 9.113 -0.086 -8.151 1.00 25.45 H new ATOM 0 HB ILE A 47 6.848 0.434 -9.167 1.00 13.33 H new ATOM 0 HG12 ILE A 47 8.347 -1.642 -9.474 1.00 13.44 H new ATOM 0 HG13 ILE A 47 6.884 -1.418 -10.413 1.00 13.44 H new ATOM 0 HG21 ILE A 47 6.846 1.134 -11.548 1.00 61.24 H new ATOM 0 HG22 ILE A 47 7.386 2.421 -10.444 1.00 61.24 H new ATOM 0 HG23 ILE A 47 8.578 1.521 -11.413 1.00 61.24 H new ATOM 0 HD11 ILE A 47 8.699 -2.279 -11.811 1.00 2.31 H new ATOM 0 HD12 ILE A 47 8.226 -0.649 -12.346 1.00 2.31 H new ATOM 0 HD13 ILE A 47 9.712 -0.877 -11.393 1.00 2.31 H new ATOM 776 N ASP A 48 10.362 2.553 -9.640 1.00 53.13 N ATOM 777 CA ASP A 48 11.541 3.121 -10.270 1.00 4.10 C ATOM 778 C ASP A 48 12.784 2.721 -9.474 1.00 42.54 C ATOM 779 O ASP A 48 13.823 2.368 -10.025 1.00 32.10 O ATOM 780 CB ASP A 48 11.406 4.644 -10.278 1.00 54.22 C ATOM 781 CG ASP A 48 12.442 5.312 -11.171 1.00 75.20 C ATOM 782 OD1 ASP A 48 13.546 5.650 -10.683 1.00 5.22 O ATOM 783 OD2 ASP A 48 12.155 5.510 -12.375 1.00 1.04 O ATOM 0 H ASP A 48 9.665 3.252 -9.383 1.00 53.13 H new ATOM 0 HA ASP A 48 11.635 2.751 -11.291 1.00 4.10 H new ATOM 0 HB2 ASP A 48 10.407 4.916 -10.618 1.00 54.22 H new ATOM 0 HB3 ASP A 48 11.510 5.021 -9.261 1.00 54.22 H new ATOM 788 N PHE A 49 12.670 2.755 -8.148 1.00 15.00 N ATOM 789 CA PHE A 49 13.737 2.399 -7.229 1.00 70.40 C ATOM 790 C PHE A 49 13.988 0.887 -7.234 1.00 21.22 C ATOM 791 O PHE A 49 15.112 0.473 -6.974 1.00 62.53 O ATOM 792 CB PHE A 49 13.389 2.904 -5.825 1.00 51.21 C ATOM 793 CG PHE A 49 14.497 2.934 -4.779 1.00 63.52 C ATOM 794 CD1 PHE A 49 14.128 3.165 -3.444 1.00 15.32 C ATOM 795 CD2 PHE A 49 15.868 2.796 -5.094 1.00 51.31 C ATOM 796 CE1 PHE A 49 15.102 3.311 -2.445 1.00 51.22 C ATOM 797 CE2 PHE A 49 16.842 2.879 -4.083 1.00 43.01 C ATOM 798 CZ PHE A 49 16.458 3.161 -2.760 1.00 52.45 C ATOM 0 H PHE A 49 11.811 3.038 -7.677 1.00 15.00 H new ATOM 0 HA PHE A 49 14.662 2.876 -7.554 1.00 70.40 H new ATOM 0 HB2 PHE A 49 12.995 3.916 -5.922 1.00 51.21 H new ATOM 0 HB3 PHE A 49 12.581 2.283 -5.438 1.00 51.21 H new ATOM 0 HD1 PHE A 49 13.082 3.231 -3.183 1.00 15.32 H new ATOM 0 HD2 PHE A 49 16.169 2.626 -6.117 1.00 51.31 H new ATOM 0 HE1 PHE A 49 14.806 3.539 -1.432 1.00 51.22 H new ATOM 0 HE2 PHE A 49 17.884 2.726 -4.322 1.00 43.01 H new ATOM 0 HZ PHE A 49 17.207 3.262 -1.989 1.00 52.45 H new ATOM 808 N TYR A 50 12.977 0.041 -7.462 1.00 12.10 N ATOM 809 CA TYR A 50 13.154 -1.418 -7.509 1.00 41.23 C ATOM 810 C TYR A 50 14.038 -1.785 -8.716 1.00 40.30 C ATOM 811 O TYR A 50 14.776 -2.768 -8.664 1.00 43.41 O ATOM 812 CB TYR A 50 11.802 -2.156 -7.509 1.00 25.23 C ATOM 813 CG TYR A 50 11.678 -3.254 -8.551 1.00 72.15 C ATOM 814 CD1 TYR A 50 12.135 -4.564 -8.308 1.00 23.24 C ATOM 815 CD2 TYR A 50 11.140 -2.936 -9.810 1.00 23.40 C ATOM 816 CE1 TYR A 50 12.057 -5.523 -9.333 1.00 43.52 C ATOM 817 CE2 TYR A 50 11.081 -3.887 -10.839 1.00 35.02 C ATOM 818 CZ TYR A 50 11.578 -5.182 -10.607 1.00 51.44 C ATOM 819 OH TYR A 50 11.666 -6.089 -11.614 1.00 2.41 O ATOM 0 H TYR A 50 12.016 0.345 -7.619 1.00 12.10 H new ATOM 0 HA TYR A 50 13.665 -1.749 -6.605 1.00 41.23 H new ATOM 0 HB2 TYR A 50 11.641 -2.590 -6.522 1.00 25.23 H new ATOM 0 HB3 TYR A 50 11.007 -1.429 -7.671 1.00 25.23 H new ATOM 0 HD1 TYR A 50 12.542 -4.829 -7.343 1.00 23.24 H new ATOM 0 HD2 TYR A 50 10.765 -1.939 -9.989 1.00 23.40 H new ATOM 0 HE1 TYR A 50 12.371 -6.538 -9.137 1.00 43.52 H new ATOM 0 HE2 TYR A 50 10.659 -3.628 -11.799 1.00 35.02 H new ATOM 0 HH TYR A 50 11.291 -5.705 -12.434 1.00 2.41 H new ATOM 829 N GLU A 51 13.986 -0.997 -9.791 1.00 2.23 N ATOM 830 CA GLU A 51 14.776 -1.206 -11.003 1.00 52.22 C ATOM 831 C GLU A 51 16.264 -0.893 -10.745 1.00 71.24 C ATOM 832 O GLU A 51 17.118 -1.189 -11.589 1.00 52.12 O ATOM 833 CB GLU A 51 14.225 -0.313 -12.127 1.00 41.42 C ATOM 834 CG GLU A 51 12.823 -0.748 -12.569 1.00 2.02 C ATOM 835 CD GLU A 51 12.845 -1.754 -13.718 1.00 71.53 C ATOM 836 OE1 GLU A 51 13.087 -1.349 -14.877 1.00 33.25 O ATOM 837 OE2 GLU A 51 12.502 -2.941 -13.501 1.00 35.10 O ATOM 0 H GLU A 51 13.380 -0.178 -9.843 1.00 2.23 H new ATOM 0 HA GLU A 51 14.702 -2.251 -11.302 1.00 52.22 H new ATOM 0 HB2 GLU A 51 14.193 0.722 -11.786 1.00 41.42 H new ATOM 0 HB3 GLU A 51 14.901 -0.346 -12.981 1.00 41.42 H new ATOM 0 HG2 GLU A 51 12.300 -1.187 -11.719 1.00 2.02 H new ATOM 0 HG3 GLU A 51 12.255 0.131 -12.874 1.00 2.02 H new ATOM 844 N ARG A 52 16.578 -0.286 -9.591 1.00 5.43 N ATOM 845 CA ARG A 52 17.927 0.093 -9.176 1.00 40.10 C ATOM 846 C ARG A 52 18.714 -1.064 -8.562 1.00 34.20 C ATOM 847 O ARG A 52 19.941 -1.068 -8.651 1.00 61.42 O ATOM 848 CB ARG A 52 17.823 1.245 -8.159 1.00 41.02 C ATOM 849 CG ARG A 52 18.910 2.296 -8.369 1.00 30.15 C ATOM 850 CD ARG A 52 18.538 3.174 -9.569 1.00 24.13 C ATOM 851 NE ARG A 52 19.460 4.302 -9.740 1.00 34.44 N ATOM 852 CZ ARG A 52 19.159 5.448 -10.363 1.00 62.34 C ATOM 853 NH1 ARG A 52 17.968 5.645 -10.922 1.00 50.25 N ATOM 854 NH2 ARG A 52 20.073 6.400 -10.441 1.00 25.35 N ATOM 0 H ARG A 52 15.870 -0.039 -8.899 1.00 5.43 H new ATOM 0 HA ARG A 52 18.472 0.401 -10.068 1.00 40.10 H new ATOM 0 HB2 ARG A 52 16.843 1.715 -8.244 1.00 41.02 H new ATOM 0 HB3 ARG A 52 17.898 0.844 -7.148 1.00 41.02 H new ATOM 0 HG2 ARG A 52 19.017 2.909 -7.474 1.00 30.15 H new ATOM 0 HG3 ARG A 52 19.872 1.812 -8.541 1.00 30.15 H new ATOM 0 HD2 ARG A 52 18.538 2.567 -10.474 1.00 24.13 H new ATOM 0 HD3 ARG A 52 17.524 3.553 -9.439 1.00 24.13 H new ATOM 0 HE ARG A 52 20.400 4.206 -9.356 1.00 34.44 H new ATOM 0 HH11 ARG A 52 17.258 4.913 -10.882 1.00 50.25 H new ATOM 0 HH12 ARG A 52 17.764 6.528 -11.391 1.00 50.25 H new ATOM 0 HH21 ARG A 52 20.995 6.257 -10.029 1.00 25.35 H new ATOM 0 HH22 ARG A 52 19.856 7.278 -10.913 1.00 25.35 H new ATOM 868 N LEU A 53 18.036 -2.064 -7.989 1.00 41.50 N ATOM 869 CA LEU A 53 18.596 -3.230 -7.374 1.00 21.40 C ATOM 870 C LEU A 53 19.510 -3.964 -8.341 1.00 54.42 C ATOM 871 O LEU A 53 19.220 -4.086 -9.535 1.00 24.51 O ATOM 872 CB LEU A 53 17.414 -4.105 -6.943 1.00 71.21 C ATOM 873 CG LEU A 53 16.709 -3.535 -5.706 1.00 50.51 C ATOM 874 CD1 LEU A 53 16.216 -2.097 -5.719 1.00 70.43 C ATOM 875 CD2 LEU A 53 15.597 -4.474 -5.227 1.00 73.22 C ATOM 0 H LEU A 53 17.017 -2.062 -7.950 1.00 41.50 H new ATOM 0 HA LEU A 53 19.211 -2.967 -6.514 1.00 21.40 H new ATOM 0 HB2 LEU A 53 16.701 -4.184 -7.764 1.00 71.21 H new ATOM 0 HB3 LEU A 53 17.767 -5.114 -6.729 1.00 71.21 H new ATOM 0 HG LEU A 53 17.538 -3.481 -5.000 1.00 50.51 H new ATOM 0 HD11 LEU A 53 15.744 -1.866 -4.764 1.00 70.43 H new ATOM 0 HD12 LEU A 53 17.059 -1.425 -5.880 1.00 70.43 H new ATOM 0 HD13 LEU A 53 15.491 -1.968 -6.523 1.00 70.43 H new ATOM 0 HD21 LEU A 53 15.113 -4.047 -4.349 1.00 73.22 H new ATOM 0 HD22 LEU A 53 14.861 -4.601 -6.021 1.00 73.22 H new ATOM 0 HD23 LEU A 53 16.025 -5.443 -4.970 1.00 73.22 H new ATOM 887 N ASP A 54 20.585 -4.503 -7.774 1.00 14.22 N ATOM 888 CA ASP A 54 21.625 -5.245 -8.474 1.00 54.51 C ATOM 889 C ASP A 54 21.012 -6.378 -9.289 1.00 30.31 C ATOM 890 O ASP A 54 21.384 -6.597 -10.440 1.00 54.00 O ATOM 891 CB ASP A 54 22.655 -5.762 -7.459 1.00 55.35 C ATOM 892 CG ASP A 54 24.012 -6.029 -8.105 1.00 22.31 C ATOM 893 OD1 ASP A 54 24.824 -5.073 -8.152 1.00 12.32 O ATOM 894 OD2 ASP A 54 24.305 -7.193 -8.469 1.00 53.23 O ATOM 0 H ASP A 54 20.761 -4.431 -6.772 1.00 14.22 H new ATOM 0 HA ASP A 54 22.139 -4.587 -9.174 1.00 54.51 H new ATOM 0 HB2 ASP A 54 22.772 -5.032 -6.658 1.00 55.35 H new ATOM 0 HB3 ASP A 54 22.284 -6.680 -7.002 1.00 55.35 H new ATOM 899 N THR A 55 20.115 -7.154 -8.676 1.00 1.15 N ATOM 900 CA THR A 55 19.391 -8.276 -9.270 1.00 4.51 C ATOM 901 C THR A 55 18.172 -8.581 -8.385 1.00 11.30 C ATOM 902 O THR A 55 18.230 -9.492 -7.546 1.00 71.23 O ATOM 903 CB THR A 55 20.311 -9.501 -9.457 1.00 11.13 C ATOM 904 OG1 THR A 55 21.487 -9.180 -10.176 1.00 52.24 O ATOM 905 CG2 THR A 55 19.651 -10.630 -10.245 1.00 51.01 C ATOM 0 H THR A 55 19.862 -7.007 -7.699 1.00 1.15 H new ATOM 0 HA THR A 55 19.044 -8.015 -10.270 1.00 4.51 H new ATOM 0 HB THR A 55 20.534 -9.818 -8.438 1.00 11.13 H new ATOM 0 HG1 THR A 55 21.361 -8.330 -10.647 1.00 52.24 H new ATOM 0 HG21 THR A 55 20.349 -11.462 -10.342 1.00 51.01 H new ATOM 0 HG22 THR A 55 18.757 -10.966 -9.720 1.00 51.01 H new ATOM 0 HG23 THR A 55 19.376 -10.269 -11.236 1.00 51.01 H new ATOM 913 N PRO A 56 17.067 -7.830 -8.522 1.00 4.23 N ATOM 914 CA PRO A 56 15.867 -8.055 -7.737 1.00 71.21 C ATOM 915 C PRO A 56 15.259 -9.427 -8.098 1.00 11.42 C ATOM 916 O PRO A 56 15.009 -9.689 -9.282 1.00 40.21 O ATOM 917 CB PRO A 56 14.938 -6.911 -8.098 1.00 3.14 C ATOM 918 CG PRO A 56 15.379 -6.447 -9.483 1.00 54.11 C ATOM 919 CD PRO A 56 16.875 -6.730 -9.457 1.00 65.21 C ATOM 0 HA PRO A 56 16.057 -8.076 -6.664 1.00 71.21 H new ATOM 0 HB2 PRO A 56 13.898 -7.238 -8.107 1.00 3.14 H new ATOM 0 HB3 PRO A 56 15.012 -6.102 -7.371 1.00 3.14 H new ATOM 0 HG2 PRO A 56 14.874 -6.998 -10.277 1.00 54.11 H new ATOM 0 HG3 PRO A 56 15.168 -5.390 -9.645 1.00 54.11 H new ATOM 0 HD2 PRO A 56 17.238 -6.996 -10.450 1.00 65.21 H new ATOM 0 HD3 PRO A 56 17.432 -5.848 -9.140 1.00 65.21 H new ATOM 927 N PRO A 57 14.984 -10.309 -7.123 1.00 1.14 N ATOM 928 CA PRO A 57 14.427 -11.631 -7.396 1.00 25.03 C ATOM 929 C PRO A 57 12.915 -11.631 -7.683 1.00 23.03 C ATOM 930 O PRO A 57 12.415 -12.554 -8.331 1.00 23.33 O ATOM 931 CB PRO A 57 14.743 -12.425 -6.127 1.00 23.00 C ATOM 932 CG PRO A 57 14.682 -11.383 -5.012 1.00 41.32 C ATOM 933 CD PRO A 57 15.232 -10.133 -5.696 1.00 74.20 C ATOM 0 HA PRO A 57 14.858 -12.053 -8.304 1.00 25.03 H new ATOM 0 HB2 PRO A 57 14.019 -13.224 -5.966 1.00 23.00 H new ATOM 0 HB3 PRO A 57 15.726 -12.892 -6.183 1.00 23.00 H new ATOM 0 HG2 PRO A 57 13.664 -11.234 -4.652 1.00 41.32 H new ATOM 0 HG3 PRO A 57 15.285 -11.673 -4.152 1.00 41.32 H new ATOM 0 HD2 PRO A 57 14.739 -9.236 -5.323 1.00 74.20 H new ATOM 0 HD3 PRO A 57 16.297 -10.017 -5.497 1.00 74.20 H new ATOM 941 N PHE A 58 12.177 -10.643 -7.170 1.00 35.42 N ATOM 942 CA PHE A 58 10.733 -10.483 -7.328 1.00 1.42 C ATOM 943 C PHE A 58 10.410 -9.445 -8.401 1.00 53.52 C ATOM 944 O PHE A 58 11.086 -8.420 -8.465 1.00 3.03 O ATOM 945 CB PHE A 58 10.157 -10.006 -5.987 1.00 1.12 C ATOM 946 CG PHE A 58 9.795 -11.114 -5.020 1.00 72.04 C ATOM 947 CD1 PHE A 58 8.679 -11.937 -5.267 1.00 41.42 C ATOM 948 CD2 PHE A 58 10.554 -11.307 -3.855 1.00 34.23 C ATOM 949 CE1 PHE A 58 8.322 -12.940 -4.349 1.00 53.42 C ATOM 950 CE2 PHE A 58 10.193 -12.305 -2.934 1.00 32.21 C ATOM 951 CZ PHE A 58 9.077 -13.124 -3.178 1.00 73.24 C ATOM 0 H PHE A 58 12.591 -9.900 -6.608 1.00 35.42 H new ATOM 0 HA PHE A 58 10.299 -11.436 -7.630 1.00 1.42 H new ATOM 0 HB2 PHE A 58 10.884 -9.349 -5.509 1.00 1.12 H new ATOM 0 HB3 PHE A 58 9.267 -9.408 -6.182 1.00 1.12 H new ATOM 0 HD1 PHE A 58 8.095 -11.797 -6.165 1.00 41.42 H new ATOM 0 HD2 PHE A 58 11.418 -10.687 -3.666 1.00 34.23 H new ATOM 0 HE1 PHE A 58 7.467 -13.570 -4.544 1.00 53.42 H new ATOM 0 HE2 PHE A 58 10.775 -12.443 -2.035 1.00 32.21 H new ATOM 0 HZ PHE A 58 8.801 -13.891 -2.469 1.00 73.24 H new ATOM 961 N SER A 59 9.393 -9.692 -9.231 1.00 13.44 N ATOM 962 CA SER A 59 8.950 -8.779 -10.284 1.00 23.53 C ATOM 963 C SER A 59 7.899 -7.803 -9.745 1.00 34.33 C ATOM 964 O SER A 59 7.224 -8.083 -8.748 1.00 23.23 O ATOM 965 CB SER A 59 8.311 -9.581 -11.420 1.00 53.20 C ATOM 966 OG SER A 59 9.252 -10.026 -12.371 1.00 22.01 O ATOM 0 H SER A 59 8.844 -10.551 -9.187 1.00 13.44 H new ATOM 0 HA SER A 59 9.818 -8.225 -10.641 1.00 23.53 H new ATOM 0 HB2 SER A 59 7.789 -10.442 -11.002 1.00 53.20 H new ATOM 0 HB3 SER A 59 7.562 -8.965 -11.917 1.00 53.20 H new ATOM 0 HG SER A 59 8.793 -10.533 -13.073 1.00 22.01 H new ATOM 972 N LYS A 60 7.652 -6.723 -10.498 1.00 0.12 N ATOM 973 CA LYS A 60 6.690 -5.657 -10.191 1.00 24.12 C ATOM 974 C LYS A 60 5.310 -6.152 -9.784 1.00 55.25 C ATOM 975 O LYS A 60 4.681 -5.543 -8.921 1.00 11.33 O ATOM 976 CB LYS A 60 6.683 -4.622 -11.329 1.00 53.01 C ATOM 977 CG LYS A 60 6.099 -5.119 -12.667 1.00 31.04 C ATOM 978 CD LYS A 60 6.710 -4.406 -13.886 1.00 23.40 C ATOM 979 CE LYS A 60 6.501 -2.889 -13.881 1.00 41.12 C ATOM 980 NZ LYS A 60 7.365 -2.214 -14.872 1.00 21.50 N ATOM 0 H LYS A 60 8.140 -6.562 -11.379 1.00 0.12 H new ATOM 0 HA LYS A 60 7.031 -5.154 -9.286 1.00 24.12 H new ATOM 0 HB2 LYS A 60 6.113 -3.752 -11.003 1.00 53.01 H new ATOM 0 HB3 LYS A 60 7.706 -4.287 -11.500 1.00 53.01 H new ATOM 0 HG2 LYS A 60 6.269 -6.192 -12.756 1.00 31.04 H new ATOM 0 HG3 LYS A 60 5.020 -4.967 -12.666 1.00 31.04 H new ATOM 0 HD2 LYS A 60 7.779 -4.616 -13.921 1.00 23.40 H new ATOM 0 HD3 LYS A 60 6.274 -4.821 -14.795 1.00 23.40 H new ATOM 0 HE2 LYS A 60 5.456 -2.665 -14.097 1.00 41.12 H new ATOM 0 HE3 LYS A 60 6.712 -2.496 -12.887 1.00 41.12 H new ATOM 0 HZ1 LYS A 60 7.195 -1.188 -14.839 1.00 21.50 H new ATOM 0 HZ2 LYS A 60 8.363 -2.407 -14.651 1.00 21.50 H new ATOM 0 HZ3 LYS A 60 7.146 -2.571 -15.824 1.00 21.50 H new ATOM 994 N LYS A 61 4.855 -7.276 -10.349 1.00 41.31 N ATOM 995 CA LYS A 61 3.560 -7.867 -10.028 1.00 21.25 C ATOM 996 C LYS A 61 3.428 -8.081 -8.515 1.00 44.05 C ATOM 997 O LYS A 61 2.465 -7.611 -7.916 1.00 5.33 O ATOM 998 CB LYS A 61 3.340 -9.168 -10.835 1.00 54.32 C ATOM 999 CG LYS A 61 4.310 -10.325 -10.508 1.00 55.33 C ATOM 1000 CD LYS A 61 4.175 -11.525 -11.447 1.00 21.44 C ATOM 1001 CE LYS A 61 2.826 -12.234 -11.293 1.00 52.12 C ATOM 1002 NZ LYS A 61 2.720 -13.393 -12.197 1.00 51.35 N ATOM 0 H LYS A 61 5.382 -7.801 -11.046 1.00 41.31 H new ATOM 0 HA LYS A 61 2.769 -7.176 -10.322 1.00 21.25 H new ATOM 0 HB2 LYS A 61 2.320 -9.513 -10.664 1.00 54.32 H new ATOM 0 HB3 LYS A 61 3.424 -8.935 -11.897 1.00 54.32 H new ATOM 0 HG2 LYS A 61 5.334 -9.953 -10.553 1.00 55.33 H new ATOM 0 HG3 LYS A 61 4.136 -10.655 -9.484 1.00 55.33 H new ATOM 0 HD2 LYS A 61 4.292 -11.192 -12.478 1.00 21.44 H new ATOM 0 HD3 LYS A 61 4.980 -12.232 -11.247 1.00 21.44 H new ATOM 0 HE2 LYS A 61 2.702 -12.563 -10.261 1.00 52.12 H new ATOM 0 HE3 LYS A 61 2.019 -11.532 -11.503 1.00 52.12 H new ATOM 0 HZ1 LYS A 61 1.795 -13.851 -12.068 1.00 51.35 H new ATOM 0 HZ2 LYS A 61 2.814 -13.074 -13.183 1.00 51.35 H new ATOM 0 HZ3 LYS A 61 3.476 -14.073 -11.980 1.00 51.35 H new ATOM 1016 N SER A 62 4.412 -8.741 -7.902 1.00 75.13 N ATOM 1017 CA SER A 62 4.425 -9.049 -6.485 1.00 54.11 C ATOM 1018 C SER A 62 4.431 -7.789 -5.631 1.00 12.35 C ATOM 1019 O SER A 62 3.591 -7.664 -4.739 1.00 72.54 O ATOM 1020 CB SER A 62 5.592 -9.993 -6.191 1.00 50.04 C ATOM 1021 OG SER A 62 6.844 -9.395 -6.445 1.00 25.22 O ATOM 0 H SER A 62 5.238 -9.081 -8.395 1.00 75.13 H new ATOM 0 HA SER A 62 3.503 -9.563 -6.213 1.00 54.11 H new ATOM 0 HB2 SER A 62 5.547 -10.308 -5.148 1.00 50.04 H new ATOM 0 HB3 SER A 62 5.491 -10.892 -6.800 1.00 50.04 H new ATOM 0 HG SER A 62 6.747 -8.720 -7.149 1.00 25.22 H new ATOM 1027 N LEU A 63 5.332 -6.849 -5.940 1.00 70.21 N ATOM 1028 CA LEU A 63 5.483 -5.580 -5.241 1.00 74.12 C ATOM 1029 C LEU A 63 4.141 -4.856 -5.214 1.00 14.13 C ATOM 1030 O LEU A 63 3.655 -4.495 -4.142 1.00 63.43 O ATOM 1031 CB LEU A 63 6.640 -4.780 -5.875 1.00 73.31 C ATOM 1032 CG LEU A 63 7.071 -3.557 -5.037 1.00 4.04 C ATOM 1033 CD1 LEU A 63 8.560 -3.227 -5.208 1.00 51.52 C ATOM 1034 CD2 LEU A 63 6.281 -2.306 -5.424 1.00 31.42 C ATOM 0 H LEU A 63 5.994 -6.960 -6.708 1.00 70.21 H new ATOM 0 HA LEU A 63 5.762 -5.726 -4.198 1.00 74.12 H new ATOM 0 HB2 LEU A 63 7.497 -5.440 -6.009 1.00 73.31 H new ATOM 0 HB3 LEU A 63 6.338 -4.443 -6.867 1.00 73.31 H new ATOM 0 HG LEU A 63 6.872 -3.832 -4.001 1.00 4.04 H new ATOM 0 HD11 LEU A 63 8.813 -2.360 -4.598 1.00 51.52 H new ATOM 0 HD12 LEU A 63 9.160 -4.080 -4.892 1.00 51.52 H new ATOM 0 HD13 LEU A 63 8.766 -3.007 -6.255 1.00 51.52 H new ATOM 0 HD21 LEU A 63 6.610 -1.465 -4.814 1.00 31.42 H new ATOM 0 HD22 LEU A 63 6.451 -2.080 -6.477 1.00 31.42 H new ATOM 0 HD23 LEU A 63 5.218 -2.481 -5.257 1.00 31.42 H new ATOM 1046 N ARG A 64 3.507 -4.695 -6.378 1.00 0.03 N ATOM 1047 CA ARG A 64 2.225 -4.019 -6.494 1.00 53.03 C ATOM 1048 C ARG A 64 1.117 -4.734 -5.731 1.00 53.30 C ATOM 1049 O ARG A 64 0.389 -4.078 -4.983 1.00 63.24 O ATOM 1050 CB ARG A 64 1.875 -3.862 -7.985 1.00 33.14 C ATOM 1051 CG ARG A 64 0.583 -3.081 -8.269 1.00 74.43 C ATOM 1052 CD ARG A 64 0.506 -1.809 -7.426 1.00 22.43 C ATOM 1053 NE ARG A 64 -0.271 -0.731 -8.056 1.00 21.24 N ATOM 1054 CZ ARG A 64 -1.232 -0.028 -7.453 1.00 32.10 C ATOM 1055 NH1 ARG A 64 -1.739 -0.428 -6.292 1.00 41.21 N ATOM 1056 NH2 ARG A 64 -1.682 1.097 -7.992 1.00 51.22 N ATOM 0 H ARG A 64 3.875 -5.034 -7.267 1.00 0.03 H new ATOM 0 HA ARG A 64 2.311 -3.034 -6.035 1.00 53.03 H new ATOM 0 HB2 ARG A 64 2.703 -3.360 -8.486 1.00 33.14 H new ATOM 0 HB3 ARG A 64 1.787 -4.854 -8.429 1.00 33.14 H new ATOM 0 HG2 ARG A 64 0.537 -2.822 -9.327 1.00 74.43 H new ATOM 0 HG3 ARG A 64 -0.280 -3.712 -8.058 1.00 74.43 H new ATOM 0 HD2 ARG A 64 0.061 -2.050 -6.460 1.00 22.43 H new ATOM 0 HD3 ARG A 64 1.517 -1.451 -7.231 1.00 22.43 H new ATOM 0 HE ARG A 64 -0.059 -0.503 -9.027 1.00 21.24 H new ATOM 0 HH11 ARG A 64 -1.394 -1.281 -5.852 1.00 41.21 H new ATOM 0 HH12 ARG A 64 -2.473 0.118 -5.841 1.00 41.21 H new ATOM 0 HH21 ARG A 64 -1.293 1.431 -8.874 1.00 51.22 H new ATOM 0 HH22 ARG A 64 -2.417 1.628 -7.525 1.00 51.22 H new ATOM 1070 N GLU A 65 0.963 -6.043 -5.920 1.00 31.44 N ATOM 1071 CA GLU A 65 -0.074 -6.822 -5.247 1.00 61.02 C ATOM 1072 C GLU A 65 0.049 -6.709 -3.734 1.00 44.41 C ATOM 1073 O GLU A 65 -0.945 -6.478 -3.050 1.00 30.15 O ATOM 1074 CB GLU A 65 0.023 -8.294 -5.657 1.00 61.02 C ATOM 1075 CG GLU A 65 -0.534 -8.519 -7.061 1.00 24.10 C ATOM 1076 CD GLU A 65 -0.282 -9.957 -7.497 1.00 25.12 C ATOM 1077 OE1 GLU A 65 -0.960 -10.879 -6.994 1.00 43.23 O ATOM 1078 OE2 GLU A 65 0.603 -10.190 -8.355 1.00 2.32 O ATOM 0 H GLU A 65 1.553 -6.593 -6.544 1.00 31.44 H new ATOM 0 HA GLU A 65 -1.042 -6.421 -5.548 1.00 61.02 H new ATOM 0 HB2 GLU A 65 1.064 -8.615 -5.621 1.00 61.02 H new ATOM 0 HB3 GLU A 65 -0.525 -8.909 -4.943 1.00 61.02 H new ATOM 0 HG2 GLU A 65 -1.603 -8.308 -7.075 1.00 24.10 H new ATOM 0 HG3 GLU A 65 -0.064 -7.830 -7.763 1.00 24.10 H new ATOM 1085 N ALA A 66 1.263 -6.880 -3.211 1.00 2.22 N ATOM 1086 CA ALA A 66 1.516 -6.797 -1.788 1.00 13.12 C ATOM 1087 C ALA A 66 1.171 -5.387 -1.278 1.00 31.24 C ATOM 1088 O ALA A 66 0.521 -5.266 -0.240 1.00 50.25 O ATOM 1089 CB ALA A 66 2.957 -7.224 -1.525 1.00 61.33 C ATOM 0 H ALA A 66 2.093 -7.080 -3.769 1.00 2.22 H new ATOM 0 HA ALA A 66 0.876 -7.477 -1.226 1.00 13.12 H new ATOM 0 HB1 ALA A 66 3.164 -7.167 -0.456 1.00 61.33 H new ATOM 0 HB2 ALA A 66 3.101 -8.248 -1.869 1.00 61.33 H new ATOM 0 HB3 ALA A 66 3.636 -6.562 -2.062 1.00 61.33 H new ATOM 1095 N LEU A 67 1.540 -4.322 -2.006 1.00 41.13 N ATOM 1096 CA LEU A 67 1.228 -2.942 -1.607 1.00 61.01 C ATOM 1097 C LEU A 67 -0.297 -2.793 -1.503 1.00 50.33 C ATOM 1098 O LEU A 67 -0.810 -2.206 -0.547 1.00 34.10 O ATOM 1099 CB LEU A 67 1.834 -1.921 -2.595 1.00 33.31 C ATOM 1100 CG LEU A 67 2.674 -0.827 -1.906 1.00 60.34 C ATOM 1101 CD1 LEU A 67 3.402 0.005 -2.968 1.00 74.22 C ATOM 1102 CD2 LEU A 67 1.842 0.115 -1.027 1.00 5.12 C ATOM 0 H LEU A 67 2.059 -4.392 -2.881 1.00 41.13 H new ATOM 0 HA LEU A 67 1.676 -2.734 -0.635 1.00 61.01 H new ATOM 0 HB2 LEU A 67 2.459 -2.450 -3.314 1.00 33.31 H new ATOM 0 HB3 LEU A 67 1.029 -1.450 -3.158 1.00 33.31 H new ATOM 0 HG LEU A 67 3.379 -1.342 -1.254 1.00 60.34 H new ATOM 0 HD11 LEU A 67 3.996 0.778 -2.480 1.00 74.22 H new ATOM 0 HD12 LEU A 67 4.057 -0.642 -3.551 1.00 74.22 H new ATOM 0 HD13 LEU A 67 2.671 0.471 -3.629 1.00 74.22 H new ATOM 0 HD21 LEU A 67 2.495 0.860 -0.573 1.00 5.12 H new ATOM 0 HD22 LEU A 67 1.091 0.615 -1.639 1.00 5.12 H new ATOM 0 HD23 LEU A 67 1.348 -0.460 -0.244 1.00 5.12 H new ATOM 1114 N SER A 68 -1.033 -3.340 -2.477 1.00 53.54 N ATOM 1115 CA SER A 68 -2.490 -3.316 -2.503 1.00 51.10 C ATOM 1116 C SER A 68 -3.069 -4.084 -1.308 1.00 3.31 C ATOM 1117 O SER A 68 -4.180 -3.778 -0.871 1.00 0.41 O ATOM 1118 CB SER A 68 -3.031 -3.800 -3.847 1.00 35.25 C ATOM 1119 OG SER A 68 -2.817 -2.796 -4.825 1.00 70.43 O ATOM 0 H SER A 68 -0.622 -3.818 -3.279 1.00 53.54 H new ATOM 0 HA SER A 68 -2.822 -2.283 -2.400 1.00 51.10 H new ATOM 0 HB2 SER A 68 -2.533 -4.724 -4.142 1.00 35.25 H new ATOM 0 HB3 SER A 68 -4.095 -4.024 -3.765 1.00 35.25 H new ATOM 0 HG SER A 68 -3.161 -3.103 -5.690 1.00 70.43 H new ATOM 1125 N TYR A 69 -2.379 -5.118 -0.816 1.00 70.34 N ATOM 1126 CA TYR A 69 -2.819 -5.884 0.342 1.00 51.35 C ATOM 1127 C TYR A 69 -2.766 -4.945 1.552 1.00 74.22 C ATOM 1128 O TYR A 69 -3.731 -4.872 2.315 1.00 74.50 O ATOM 1129 CB TYR A 69 -1.983 -7.167 0.518 1.00 33.45 C ATOM 1130 CG TYR A 69 -2.841 -8.418 0.488 1.00 2.55 C ATOM 1131 CD1 TYR A 69 -2.909 -9.277 1.603 1.00 11.41 C ATOM 1132 CD2 TYR A 69 -3.633 -8.680 -0.646 1.00 1.34 C ATOM 1133 CE1 TYR A 69 -3.812 -10.356 1.609 1.00 13.51 C ATOM 1134 CE2 TYR A 69 -4.545 -9.746 -0.635 1.00 30.23 C ATOM 1135 CZ TYR A 69 -4.663 -10.568 0.502 1.00 71.11 C ATOM 1136 OH TYR A 69 -5.630 -11.522 0.524 1.00 54.23 O ATOM 0 H TYR A 69 -1.498 -5.444 -1.214 1.00 70.34 H new ATOM 0 HA TYR A 69 -3.841 -6.240 0.216 1.00 51.35 H new ATOM 0 HB2 TYR A 69 -1.235 -7.223 -0.273 1.00 33.45 H new ATOM 0 HB3 TYR A 69 -1.444 -7.121 1.464 1.00 33.45 H new ATOM 0 HD1 TYR A 69 -2.267 -9.107 2.454 1.00 11.41 H new ATOM 0 HD2 TYR A 69 -3.538 -8.060 -1.525 1.00 1.34 H new ATOM 0 HE1 TYR A 69 -3.854 -11.021 2.459 1.00 13.51 H new ATOM 0 HE2 TYR A 69 -5.159 -9.937 -1.503 1.00 30.23 H new ATOM 0 HH TYR A 69 -6.114 -11.517 -0.328 1.00 54.23 H new ATOM 1146 N TYR A 70 -1.674 -4.194 1.748 1.00 22.41 N ATOM 1147 CA TYR A 70 -1.602 -3.257 2.871 1.00 41.52 C ATOM 1148 C TYR A 70 -2.679 -2.181 2.695 1.00 20.04 C ATOM 1149 O TYR A 70 -3.298 -1.790 3.683 1.00 31.21 O ATOM 1150 CB TYR A 70 -0.196 -2.656 3.051 1.00 1.03 C ATOM 1151 CG TYR A 70 0.696 -3.286 4.121 1.00 42.02 C ATOM 1152 CD1 TYR A 70 0.421 -4.543 4.706 1.00 43.13 C ATOM 1153 CD2 TYR A 70 1.844 -2.583 4.536 1.00 31.14 C ATOM 1154 CE1 TYR A 70 1.265 -5.063 5.703 1.00 44.32 C ATOM 1155 CE2 TYR A 70 2.725 -3.127 5.486 1.00 13.14 C ATOM 1156 CZ TYR A 70 2.437 -4.373 6.082 1.00 4.50 C ATOM 1157 OH TYR A 70 3.278 -4.906 7.014 1.00 62.24 O ATOM 0 H TYR A 70 -0.844 -4.217 1.155 1.00 22.41 H new ATOM 0 HA TYR A 70 -1.797 -3.803 3.794 1.00 41.52 H new ATOM 0 HB2 TYR A 70 0.325 -2.720 2.095 1.00 1.03 H new ATOM 0 HB3 TYR A 70 -0.307 -1.597 3.283 1.00 1.03 H new ATOM 0 HD1 TYR A 70 -0.442 -5.107 4.385 1.00 43.13 H new ATOM 0 HD2 TYR A 70 2.051 -1.609 4.117 1.00 31.14 H new ATOM 0 HE1 TYR A 70 1.015 -5.998 6.183 1.00 44.32 H new ATOM 0 HE2 TYR A 70 3.622 -2.592 5.760 1.00 13.14 H new ATOM 0 HH TYR A 70 3.463 -4.239 7.707 1.00 62.24 H new ATOM 1167 N SER A 71 -2.990 -1.740 1.471 1.00 23.21 N ATOM 1168 CA SER A 71 -4.033 -0.737 1.278 1.00 1.13 C ATOM 1169 C SER A 71 -5.453 -1.325 1.431 1.00 64.44 C ATOM 1170 O SER A 71 -6.442 -0.611 1.259 1.00 12.22 O ATOM 1171 CB SER A 71 -3.781 0.066 0.006 1.00 53.22 C ATOM 1172 OG SER A 71 -4.199 -0.586 -1.176 1.00 72.12 O ATOM 0 H SER A 71 -2.540 -2.059 0.613 1.00 23.21 H new ATOM 0 HA SER A 71 -3.980 -0.010 2.088 1.00 1.13 H new ATOM 0 HB2 SER A 71 -4.298 1.022 0.084 1.00 53.22 H new ATOM 0 HB3 SER A 71 -2.716 0.285 -0.069 1.00 53.22 H new ATOM 0 HG SER A 71 -4.009 -0.015 -1.949 1.00 72.12 H new ATOM 1178 N ALA A 72 -5.586 -2.623 1.711 1.00 64.33 N ATOM 1179 CA ALA A 72 -6.849 -3.315 1.943 1.00 70.31 C ATOM 1180 C ALA A 72 -6.978 -3.603 3.453 1.00 2.33 C ATOM 1181 O ALA A 72 -7.959 -4.204 3.898 1.00 1.20 O ATOM 1182 CB ALA A 72 -6.924 -4.581 1.086 1.00 51.22 C ATOM 0 H ALA A 72 -4.780 -3.244 1.785 1.00 64.33 H new ATOM 0 HA ALA A 72 -7.693 -2.694 1.644 1.00 70.31 H new ATOM 0 HB1 ALA A 72 -7.871 -5.088 1.268 1.00 51.22 H new ATOM 0 HB2 ALA A 72 -6.854 -4.312 0.032 1.00 51.22 H new ATOM 0 HB3 ALA A 72 -6.100 -5.246 1.346 1.00 51.22 H new ATOM 1188 N SER A 73 -5.989 -3.162 4.242 1.00 32.30 N ATOM 1189 CA SER A 73 -5.924 -3.322 5.685 1.00 64.44 C ATOM 1190 C SER A 73 -7.169 -2.692 6.322 1.00 40.52 C ATOM 1191 O SER A 73 -7.629 -1.648 5.846 1.00 71.24 O ATOM 1192 CB SER A 73 -4.630 -2.643 6.151 1.00 24.33 C ATOM 1193 OG SER A 73 -4.418 -2.618 7.548 1.00 32.54 O ATOM 0 H SER A 73 -5.182 -2.664 3.867 1.00 32.30 H new ATOM 0 HA SER A 73 -5.910 -4.370 5.983 1.00 64.44 H new ATOM 0 HB2 SER A 73 -3.787 -3.151 5.683 1.00 24.33 H new ATOM 0 HB3 SER A 73 -4.628 -1.617 5.784 1.00 24.33 H new ATOM 0 HG SER A 73 -3.570 -2.168 7.742 1.00 32.54 H new ATOM 1199 N PRO A 74 -7.704 -3.273 7.412 1.00 60.43 N ATOM 1200 CA PRO A 74 -8.878 -2.745 8.087 1.00 74.14 C ATOM 1201 C PRO A 74 -8.645 -1.332 8.555 1.00 70.25 C ATOM 1202 O PRO A 74 -9.426 -0.456 8.201 1.00 23.20 O ATOM 1203 CB PRO A 74 -9.216 -3.705 9.223 1.00 5.40 C ATOM 1204 CG PRO A 74 -7.930 -4.484 9.442 1.00 11.12 C ATOM 1205 CD PRO A 74 -7.259 -4.490 8.071 1.00 24.11 C ATOM 0 HA PRO A 74 -9.729 -2.682 7.408 1.00 74.14 H new ATOM 0 HB2 PRO A 74 -9.516 -3.168 10.123 1.00 5.40 H new ATOM 0 HB3 PRO A 74 -10.042 -4.365 8.956 1.00 5.40 H new ATOM 0 HG2 PRO A 74 -7.299 -4.008 10.192 1.00 11.12 H new ATOM 0 HG3 PRO A 74 -8.132 -5.497 9.791 1.00 11.12 H new ATOM 0 HD2 PRO A 74 -6.173 -4.510 8.166 1.00 24.11 H new ATOM 0 HD3 PRO A 74 -7.545 -5.373 7.499 1.00 24.11 H new ATOM 1213 N ALA A 75 -7.537 -1.097 9.253 1.00 2.31 N ATOM 1214 CA ALA A 75 -7.217 0.213 9.762 1.00 51.11 C ATOM 1215 C ALA A 75 -7.199 1.246 8.635 1.00 54.34 C ATOM 1216 O ALA A 75 -7.848 2.271 8.773 1.00 1.31 O ATOM 1217 CB ALA A 75 -5.886 0.111 10.495 1.00 33.30 C ATOM 0 H ALA A 75 -6.845 -1.813 9.475 1.00 2.31 H new ATOM 0 HA ALA A 75 -7.979 0.558 10.461 1.00 51.11 H new ATOM 0 HB1 ALA A 75 -5.614 1.088 10.894 1.00 33.30 H new ATOM 0 HB2 ALA A 75 -5.975 -0.603 11.314 1.00 33.30 H new ATOM 0 HB3 ALA A 75 -5.114 -0.226 9.803 1.00 33.30 H new ATOM 1223 N TYR A 76 -6.526 0.959 7.514 1.00 32.34 N ATOM 1224 CA TYR A 76 -6.421 1.858 6.366 1.00 73.13 C ATOM 1225 C TYR A 76 -7.778 2.221 5.760 1.00 65.12 C ATOM 1226 O TYR A 76 -8.009 3.384 5.420 1.00 23.04 O ATOM 1227 CB TYR A 76 -5.527 1.210 5.290 1.00 13.33 C ATOM 1228 CG TYR A 76 -5.430 1.965 3.974 1.00 54.04 C ATOM 1229 CD1 TYR A 76 -4.373 2.853 3.699 1.00 24.23 C ATOM 1230 CD2 TYR A 76 -6.418 1.757 3.000 1.00 52.32 C ATOM 1231 CE1 TYR A 76 -4.308 3.516 2.458 1.00 32.15 C ATOM 1232 CE2 TYR A 76 -6.356 2.406 1.760 1.00 34.42 C ATOM 1233 CZ TYR A 76 -5.303 3.298 1.482 1.00 52.20 C ATOM 1234 OH TYR A 76 -5.232 3.936 0.280 1.00 42.01 O ATOM 0 H TYR A 76 -6.031 0.077 7.380 1.00 32.34 H new ATOM 0 HA TYR A 76 -5.980 2.787 6.726 1.00 73.13 H new ATOM 0 HB2 TYR A 76 -4.523 1.097 5.698 1.00 13.33 H new ATOM 0 HB3 TYR A 76 -5.903 0.208 5.086 1.00 13.33 H new ATOM 0 HD1 TYR A 76 -3.609 3.027 4.442 1.00 24.23 H new ATOM 0 HD2 TYR A 76 -7.239 1.087 3.209 1.00 52.32 H new ATOM 0 HE1 TYR A 76 -3.493 4.194 2.253 1.00 32.15 H new ATOM 0 HE2 TYR A 76 -7.117 2.222 1.016 1.00 34.42 H new ATOM 0 HH TYR A 76 -5.995 3.673 -0.276 1.00 42.01 H new ATOM 1244 N LEU A 77 -8.655 1.239 5.538 1.00 63.11 N ATOM 1245 CA LEU A 77 -9.954 1.524 4.935 1.00 11.41 C ATOM 1246 C LEU A 77 -10.870 2.178 5.950 1.00 50.05 C ATOM 1247 O LEU A 77 -11.452 3.221 5.665 1.00 75.32 O ATOM 1248 CB LEU A 77 -10.591 0.249 4.378 1.00 33.04 C ATOM 1249 CG LEU A 77 -9.743 -0.399 3.275 1.00 21.32 C ATOM 1250 CD1 LEU A 77 -10.149 -1.855 3.142 1.00 45.33 C ATOM 1251 CD2 LEU A 77 -9.814 0.373 1.960 1.00 53.34 C ATOM 0 H LEU A 77 -8.492 0.258 5.763 1.00 63.11 H new ATOM 0 HA LEU A 77 -9.803 2.214 4.105 1.00 11.41 H new ATOM 0 HB2 LEU A 77 -10.734 -0.466 5.189 1.00 33.04 H new ATOM 0 HB3 LEU A 77 -11.579 0.484 3.982 1.00 33.04 H new ATOM 0 HG LEU A 77 -8.690 -0.361 3.555 1.00 21.32 H new ATOM 0 HD11 LEU A 77 -9.554 -2.329 2.361 1.00 45.33 H new ATOM 0 HD12 LEU A 77 -9.980 -2.368 4.089 1.00 45.33 H new ATOM 0 HD13 LEU A 77 -11.205 -1.916 2.881 1.00 45.33 H new ATOM 0 HD21 LEU A 77 -9.198 -0.125 1.212 1.00 53.34 H new ATOM 0 HD22 LEU A 77 -10.847 0.408 1.614 1.00 53.34 H new ATOM 0 HD23 LEU A 77 -9.448 1.388 2.114 1.00 53.34 H new ATOM 1263 N SER A 78 -10.937 1.602 7.145 1.00 13.32 N ATOM 1264 CA SER A 78 -11.761 2.108 8.232 1.00 65.34 C ATOM 1265 C SER A 78 -11.386 3.548 8.600 1.00 3.11 C ATOM 1266 O SER A 78 -12.281 4.315 8.963 1.00 73.44 O ATOM 1267 CB SER A 78 -11.632 1.210 9.471 1.00 13.30 C ATOM 1268 OG SER A 78 -12.760 1.421 10.309 1.00 55.21 O ATOM 0 H SER A 78 -10.414 0.761 7.387 1.00 13.32 H new ATOM 0 HA SER A 78 -12.795 2.100 7.886 1.00 65.34 H new ATOM 0 HB2 SER A 78 -11.573 0.163 9.174 1.00 13.30 H new ATOM 0 HB3 SER A 78 -10.713 1.440 10.010 1.00 13.30 H new ATOM 0 HG SER A 78 -12.689 0.851 11.103 1.00 55.21 H new ATOM 1274 N CYS A 79 -10.110 3.934 8.510 1.00 42.41 N ATOM 1275 CA CYS A 79 -9.635 5.272 8.839 1.00 4.43 C ATOM 1276 C CYS A 79 -9.940 6.309 7.760 1.00 33.01 C ATOM 1277 O CYS A 79 -9.427 7.416 7.860 1.00 54.50 O ATOM 1278 CB CYS A 79 -8.173 5.251 9.306 1.00 0.03 C ATOM 1279 SG CYS A 79 -6.970 5.099 7.956 1.00 22.12 S ATOM 0 H CYS A 79 -9.367 3.309 8.199 1.00 42.41 H new ATOM 0 HA CYS A 79 -10.216 5.616 9.694 1.00 4.43 H new ATOM 0 HB2 CYS A 79 -7.967 6.166 9.862 1.00 0.03 H new ATOM 0 HB3 CYS A 79 -8.035 4.420 9.997 1.00 0.03 H new ATOM 0 HG CYS A 79 -7.533 4.523 6.936 1.00 22.12 H new ATOM 1285 N GLN A 80 -10.692 5.957 6.709 1.00 54.03 N ATOM 1286 CA GLN A 80 -11.124 6.806 5.593 1.00 31.25 C ATOM 1287 C GLN A 80 -11.364 8.271 6.006 1.00 23.34 C ATOM 1288 O GLN A 80 -12.467 8.626 6.436 1.00 1.31 O ATOM 1289 CB GLN A 80 -12.424 6.239 4.975 1.00 25.31 C ATOM 1290 CG GLN A 80 -13.486 5.784 6.002 1.00 12.44 C ATOM 1291 CD GLN A 80 -14.892 6.272 5.678 1.00 31.32 C ATOM 1292 OE1 GLN A 80 -15.790 5.486 5.378 1.00 51.42 O ATOM 1293 NE2 GLN A 80 -15.129 7.570 5.766 1.00 14.13 N ATOM 0 H GLN A 80 -11.039 5.003 6.610 1.00 54.03 H new ATOM 0 HA GLN A 80 -10.312 6.800 4.865 1.00 31.25 H new ATOM 0 HB2 GLN A 80 -12.865 6.999 4.330 1.00 25.31 H new ATOM 0 HB3 GLN A 80 -12.168 5.392 4.339 1.00 25.31 H new ATOM 0 HG2 GLN A 80 -13.490 4.695 6.051 1.00 12.44 H new ATOM 0 HG3 GLN A 80 -13.203 6.146 6.990 1.00 12.44 H new ATOM 0 HE21 GLN A 80 -14.375 8.210 6.016 1.00 14.13 H new ATOM 0 HE22 GLN A 80 -16.066 7.931 5.584 1.00 14.13 H new ATOM 1302 N LYS A 81 -10.360 9.136 5.838 1.00 52.32 N ATOM 1303 CA LYS A 81 -10.447 10.546 6.180 1.00 41.11 C ATOM 1304 C LYS A 81 -10.089 11.394 4.969 1.00 31.03 C ATOM 1305 O LYS A 81 -8.932 11.387 4.533 1.00 40.22 O ATOM 1306 CB LYS A 81 -9.576 10.931 7.392 1.00 55.24 C ATOM 1307 CG LYS A 81 -10.165 10.540 8.757 1.00 20.35 C ATOM 1308 CD LYS A 81 -11.567 11.083 9.049 1.00 31.24 C ATOM 1309 CE LYS A 81 -11.958 10.826 10.508 1.00 61.05 C ATOM 1310 NZ LYS A 81 -13.342 11.264 10.782 1.00 34.13 N ATOM 0 H LYS A 81 -9.454 8.866 5.455 1.00 52.32 H new ATOM 0 HA LYS A 81 -11.478 10.741 6.474 1.00 41.11 H new ATOM 0 HB2 LYS A 81 -8.599 10.459 7.285 1.00 55.24 H new ATOM 0 HB3 LYS A 81 -9.413 12.009 7.377 1.00 55.24 H new ATOM 0 HG2 LYS A 81 -10.194 9.452 8.823 1.00 20.35 H new ATOM 0 HG3 LYS A 81 -9.489 10.888 9.538 1.00 20.35 H new ATOM 0 HD2 LYS A 81 -11.598 12.153 8.843 1.00 31.24 H new ATOM 0 HD3 LYS A 81 -12.291 10.610 8.385 1.00 31.24 H new ATOM 0 HE2 LYS A 81 -11.861 9.763 10.730 1.00 61.05 H new ATOM 0 HE3 LYS A 81 -11.270 11.354 11.169 1.00 61.05 H new ATOM 0 HZ1 LYS A 81 -13.575 11.076 11.778 1.00 34.13 H new ATOM 0 HZ2 LYS A 81 -13.427 12.283 10.593 1.00 34.13 H new ATOM 0 HZ3 LYS A 81 -13.999 10.742 10.168 1.00 34.13 H new ATOM 1324 N PRO A 82 -11.067 12.067 4.353 1.00 60.30 N ATOM 1325 CA PRO A 82 -10.803 12.949 3.230 1.00 73.44 C ATOM 1326 C PRO A 82 -10.089 14.192 3.789 1.00 41.44 C ATOM 1327 O PRO A 82 -10.074 14.404 5.005 1.00 14.31 O ATOM 1328 CB PRO A 82 -12.180 13.299 2.666 1.00 31.22 C ATOM 1329 CG PRO A 82 -13.104 13.188 3.879 1.00 64.44 C ATOM 1330 CD PRO A 82 -12.458 12.126 4.761 1.00 41.33 C ATOM 0 HA PRO A 82 -10.176 12.514 2.452 1.00 73.44 H new ATOM 0 HB2 PRO A 82 -12.196 14.302 2.240 1.00 31.22 H new ATOM 0 HB3 PRO A 82 -12.475 12.612 1.873 1.00 31.22 H new ATOM 0 HG2 PRO A 82 -13.187 14.141 4.402 1.00 64.44 H new ATOM 0 HG3 PRO A 82 -14.112 12.898 3.584 1.00 64.44 H new ATOM 0 HD2 PRO A 82 -12.546 12.387 5.816 1.00 41.33 H new ATOM 0 HD3 PRO A 82 -12.945 11.160 4.630 1.00 41.33 H new ATOM 1338 N ASP A 83 -9.521 15.034 2.922 1.00 33.33 N ATOM 1339 CA ASP A 83 -8.828 16.274 3.317 1.00 75.35 C ATOM 1340 C ASP A 83 -7.630 16.017 4.243 1.00 20.32 C ATOM 1341 O ASP A 83 -7.313 16.846 5.103 1.00 22.33 O ATOM 1342 CB ASP A 83 -9.813 17.288 3.948 1.00 72.12 C ATOM 1343 CG ASP A 83 -11.072 17.522 3.122 1.00 64.51 C ATOM 1344 OD1 ASP A 83 -10.977 18.210 2.079 1.00 33.23 O ATOM 1345 OD2 ASP A 83 -12.167 17.044 3.496 1.00 71.02 O ATOM 0 H ASP A 83 -9.527 14.877 1.914 1.00 33.33 H new ATOM 0 HA ASP A 83 -8.426 16.709 2.402 1.00 75.35 H new ATOM 0 HB2 ASP A 83 -10.100 16.933 4.938 1.00 72.12 H new ATOM 0 HB3 ASP A 83 -9.300 18.239 4.088 1.00 72.12 H new ATOM 1350 N THR A 84 -6.954 14.876 4.084 1.00 61.52 N ATOM 1351 CA THR A 84 -5.818 14.490 4.920 1.00 63.43 C ATOM 1352 C THR A 84 -4.450 14.929 4.388 1.00 62.25 C ATOM 1353 O THR A 84 -3.524 15.023 5.183 1.00 1.45 O ATOM 1354 CB THR A 84 -5.919 12.978 5.197 1.00 73.32 C ATOM 1355 OG1 THR A 84 -5.509 12.686 6.510 1.00 41.53 O ATOM 1356 CG2 THR A 84 -5.141 12.104 4.208 1.00 2.45 C ATOM 0 H THR A 84 -7.183 14.190 3.365 1.00 61.52 H new ATOM 0 HA THR A 84 -5.882 15.038 5.860 1.00 63.43 H new ATOM 0 HB THR A 84 -6.972 12.730 5.065 1.00 73.32 H new ATOM 0 HG1 THR A 84 -5.581 11.722 6.668 1.00 41.53 H new ATOM 0 HG21 THR A 84 -5.265 11.054 4.474 1.00 2.45 H new ATOM 0 HG22 THR A 84 -5.520 12.270 3.200 1.00 2.45 H new ATOM 0 HG23 THR A 84 -4.083 12.365 4.245 1.00 2.45 H new ATOM 1364 N ALA A 85 -4.332 15.235 3.087 1.00 4.23 N ATOM 1365 CA ALA A 85 -3.083 15.672 2.451 1.00 34.21 C ATOM 1366 C ALA A 85 -1.933 14.671 2.597 1.00 2.01 C ATOM 1367 O ALA A 85 -1.089 14.731 3.494 1.00 75.22 O ATOM 1368 CB ALA A 85 -2.708 17.086 2.890 1.00 22.45 C ATOM 0 H ALA A 85 -5.117 15.184 2.437 1.00 4.23 H new ATOM 0 HA ALA A 85 -3.274 15.705 1.378 1.00 34.21 H new ATOM 0 HB1 ALA A 85 -1.779 17.384 2.404 1.00 22.45 H new ATOM 0 HB2 ALA A 85 -3.503 17.777 2.609 1.00 22.45 H new ATOM 0 HB3 ALA A 85 -2.574 17.108 3.972 1.00 22.45 H new ATOM 1374 N ARG A 86 -1.985 13.675 1.715 1.00 44.13 N ATOM 1375 CA ARG A 86 -0.993 12.608 1.607 1.00 11.12 C ATOM 1376 C ARG A 86 0.293 13.176 0.989 1.00 2.40 C ATOM 1377 O ARG A 86 0.381 14.373 0.711 1.00 24.10 O ATOM 1378 CB ARG A 86 -1.576 11.384 0.881 1.00 31.22 C ATOM 1379 CG ARG A 86 -2.294 11.677 -0.445 1.00 10.44 C ATOM 1380 CD ARG A 86 -3.751 11.202 -0.481 1.00 73.14 C ATOM 1381 NE ARG A 86 -3.964 10.083 -1.417 1.00 12.32 N ATOM 1382 CZ ARG A 86 -4.723 10.130 -2.519 1.00 11.02 C ATOM 1383 NH1 ARG A 86 -5.090 11.291 -3.033 1.00 11.52 N ATOM 1384 NH2 ARG A 86 -5.148 9.009 -3.081 1.00 42.41 N ATOM 0 H ARG A 86 -2.741 13.586 1.036 1.00 44.13 H new ATOM 0 HA ARG A 86 -0.721 12.233 2.594 1.00 11.12 H new ATOM 0 HB2 ARG A 86 -0.767 10.680 0.687 1.00 31.22 H new ATOM 0 HB3 ARG A 86 -2.278 10.887 1.551 1.00 31.22 H new ATOM 0 HG2 ARG A 86 -2.268 12.751 -0.632 1.00 10.44 H new ATOM 0 HG3 ARG A 86 -1.746 11.199 -1.257 1.00 10.44 H new ATOM 0 HD2 ARG A 86 -4.053 10.895 0.520 1.00 73.14 H new ATOM 0 HD3 ARG A 86 -4.393 12.035 -0.766 1.00 73.14 H new ATOM 0 HE ARG A 86 -3.495 9.202 -1.208 1.00 12.32 H new ATOM 0 HH11 ARG A 86 -4.795 12.161 -2.590 1.00 11.52 H new ATOM 0 HH12 ARG A 86 -5.668 11.317 -3.873 1.00 11.52 H new ATOM 0 HH21 ARG A 86 -4.897 8.108 -2.674 1.00 42.41 H new ATOM 0 HH22 ARG A 86 -5.726 9.047 -3.920 1.00 42.41 H new ATOM 1398 N VAL A 87 1.309 12.331 0.839 1.00 75.45 N ATOM 1399 CA VAL A 87 2.615 12.681 0.291 1.00 63.42 C ATOM 1400 C VAL A 87 3.080 11.612 -0.702 1.00 63.53 C ATOM 1401 O VAL A 87 2.480 10.532 -0.780 1.00 33.33 O ATOM 1402 CB VAL A 87 3.633 12.877 1.439 1.00 32.14 C ATOM 1403 CG1 VAL A 87 3.275 14.056 2.354 1.00 45.30 C ATOM 1404 CG2 VAL A 87 3.762 11.633 2.325 1.00 2.21 C ATOM 0 H VAL A 87 1.243 11.349 1.105 1.00 75.45 H new ATOM 0 HA VAL A 87 2.538 13.622 -0.253 1.00 63.42 H new ATOM 0 HB VAL A 87 4.578 13.076 0.933 1.00 32.14 H new ATOM 0 HG11 VAL A 87 4.024 14.146 3.141 1.00 45.30 H new ATOM 0 HG12 VAL A 87 3.250 14.976 1.770 1.00 45.30 H new ATOM 0 HG13 VAL A 87 2.296 13.885 2.802 1.00 45.30 H new ATOM 0 HG21 VAL A 87 4.489 11.823 3.115 1.00 2.21 H new ATOM 0 HG22 VAL A 87 2.794 11.401 2.770 1.00 2.21 H new ATOM 0 HG23 VAL A 87 4.095 10.789 1.721 1.00 2.21 H new ATOM 1414 N ASP A 88 4.099 11.949 -1.493 1.00 30.02 N ATOM 1415 CA ASP A 88 4.748 11.100 -2.495 1.00 63.34 C ATOM 1416 C ASP A 88 6.011 10.478 -1.867 1.00 61.12 C ATOM 1417 O ASP A 88 6.300 10.716 -0.687 1.00 22.41 O ATOM 1418 CB ASP A 88 5.017 11.872 -3.806 1.00 2.45 C ATOM 1419 CG ASP A 88 5.929 13.098 -3.682 1.00 14.32 C ATOM 1420 OD1 ASP A 88 5.743 14.067 -4.455 1.00 41.52 O ATOM 1421 OD2 ASP A 88 6.823 13.103 -2.808 1.00 21.45 O ATOM 0 H ASP A 88 4.519 12.877 -1.449 1.00 30.02 H new ATOM 0 HA ASP A 88 4.085 10.286 -2.788 1.00 63.34 H new ATOM 0 HB2 ASP A 88 5.460 11.184 -4.526 1.00 2.45 H new ATOM 0 HB3 ASP A 88 4.061 12.194 -4.219 1.00 2.45 H new ATOM 1426 N ILE A 89 6.760 9.640 -2.598 1.00 41.34 N ATOM 1427 CA ILE A 89 7.974 8.992 -2.072 1.00 44.25 C ATOM 1428 C ILE A 89 9.051 10.003 -1.677 1.00 62.53 C ATOM 1429 O ILE A 89 9.885 9.699 -0.830 1.00 53.40 O ATOM 1430 CB ILE A 89 8.560 7.926 -3.031 1.00 4.23 C ATOM 1431 CG1 ILE A 89 9.077 8.564 -4.334 1.00 23.51 C ATOM 1432 CG2 ILE A 89 7.530 6.821 -3.312 1.00 13.15 C ATOM 1433 CD1 ILE A 89 9.873 7.644 -5.256 1.00 34.13 C ATOM 0 H ILE A 89 6.545 9.392 -3.564 1.00 41.34 H new ATOM 0 HA ILE A 89 7.649 8.473 -1.170 1.00 44.25 H new ATOM 0 HB ILE A 89 9.417 7.466 -2.539 1.00 4.23 H new ATOM 0 HG12 ILE A 89 8.223 8.953 -4.889 1.00 23.51 H new ATOM 0 HG13 ILE A 89 9.704 9.417 -4.074 1.00 23.51 H new ATOM 0 HG21 ILE A 89 7.963 6.083 -3.988 1.00 13.15 H new ATOM 0 HG22 ILE A 89 7.252 6.337 -2.376 1.00 13.15 H new ATOM 0 HG23 ILE A 89 6.644 7.258 -3.772 1.00 13.15 H new ATOM 0 HD11 ILE A 89 10.186 8.198 -6.141 1.00 34.13 H new ATOM 0 HD12 ILE A 89 10.753 7.274 -4.729 1.00 34.13 H new ATOM 0 HD13 ILE A 89 9.249 6.802 -5.557 1.00 34.13 H new ATOM 1445 N TYR A 90 9.056 11.175 -2.311 1.00 10.53 N ATOM 1446 CA TYR A 90 10.002 12.244 -2.038 1.00 74.31 C ATOM 1447 C TYR A 90 9.534 13.021 -0.793 1.00 50.22 C ATOM 1448 O TYR A 90 10.224 13.930 -0.332 1.00 22.43 O ATOM 1449 CB TYR A 90 10.124 13.157 -3.269 1.00 55.24 C ATOM 1450 CG TYR A 90 10.780 12.550 -4.501 1.00 62.22 C ATOM 1451 CD1 TYR A 90 10.087 11.630 -5.316 1.00 24.41 C ATOM 1452 CD2 TYR A 90 12.084 12.940 -4.863 1.00 0.44 C ATOM 1453 CE1 TYR A 90 10.700 11.084 -6.456 1.00 14.33 C ATOM 1454 CE2 TYR A 90 12.691 12.420 -6.020 1.00 40.21 C ATOM 1455 CZ TYR A 90 11.997 11.490 -6.825 1.00 4.01 C ATOM 1456 OH TYR A 90 12.566 10.953 -7.934 1.00 61.33 O ATOM 0 H TYR A 90 8.386 11.408 -3.044 1.00 10.53 H new ATOM 0 HA TYR A 90 10.991 11.834 -1.834 1.00 74.31 H new ATOM 0 HB2 TYR A 90 9.125 13.493 -3.545 1.00 55.24 H new ATOM 0 HB3 TYR A 90 10.690 14.043 -2.982 1.00 55.24 H new ATOM 0 HD1 TYR A 90 9.077 11.343 -5.061 1.00 24.41 H new ATOM 0 HD2 TYR A 90 12.622 13.645 -4.247 1.00 0.44 H new ATOM 0 HE1 TYR A 90 10.175 10.351 -7.051 1.00 14.33 H new ATOM 0 HE2 TYR A 90 13.688 12.732 -6.293 1.00 40.21 H new ATOM 0 HH TYR A 90 13.461 11.332 -8.059 1.00 61.33 H new ATOM 1466 N GLY A 91 8.373 12.685 -0.218 1.00 71.42 N ATOM 1467 CA GLY A 91 7.812 13.320 0.956 1.00 4.03 C ATOM 1468 C GLY A 91 7.155 14.662 0.650 1.00 11.35 C ATOM 1469 O GLY A 91 6.854 15.386 1.605 1.00 42.44 O ATOM 0 H GLY A 91 7.785 11.934 -0.580 1.00 71.42 H new ATOM 0 HA2 GLY A 91 7.075 12.655 1.405 1.00 4.03 H new ATOM 0 HA3 GLY A 91 8.600 13.467 1.694 1.00 4.03 H new ATOM 1473 N ASN A 92 7.000 15.049 -0.622 1.00 23.23 N ATOM 1474 CA ASN A 92 6.368 16.318 -0.977 1.00 33.23 C ATOM 1475 C ASN A 92 4.890 16.208 -0.666 1.00 12.12 C ATOM 1476 O ASN A 92 4.321 15.114 -0.658 1.00 4.43 O ATOM 1477 CB ASN A 92 6.469 16.661 -2.470 1.00 73.42 C ATOM 1478 CG ASN A 92 7.855 16.522 -3.064 1.00 33.32 C ATOM 1479 OD1 ASN A 92 8.813 17.133 -2.604 1.00 61.02 O ATOM 1480 ND2 ASN A 92 7.999 15.700 -4.087 1.00 54.24 N ATOM 0 H ASN A 92 7.306 14.496 -1.423 1.00 23.23 H new ATOM 0 HA ASN A 92 6.884 17.093 -0.411 1.00 33.23 H new ATOM 0 HB2 ASN A 92 5.786 16.016 -3.023 1.00 73.42 H new ATOM 0 HB3 ASN A 92 6.128 17.686 -2.616 1.00 73.42 H new ATOM 0 HD21 ASN A 92 8.919 15.565 -4.507 1.00 54.24 H new ATOM 0 HD22 ASN A 92 7.191 15.200 -4.457 1.00 54.24 H new ATOM 1487 N GLU A 93 4.271 17.345 -0.395 1.00 53.11 N ATOM 1488 CA GLU A 93 2.859 17.427 -0.106 1.00 23.42 C ATOM 1489 C GLU A 93 2.129 17.244 -1.426 1.00 51.42 C ATOM 1490 O GLU A 93 2.490 17.842 -2.441 1.00 71.04 O ATOM 1491 CB GLU A 93 2.545 18.774 0.546 1.00 34.24 C ATOM 1492 CG GLU A 93 2.313 18.575 2.044 1.00 42.33 C ATOM 1493 CD GLU A 93 2.201 19.918 2.747 1.00 11.44 C ATOM 1494 OE1 GLU A 93 1.105 20.520 2.735 1.00 14.01 O ATOM 1495 OE2 GLU A 93 3.230 20.402 3.279 1.00 62.11 O ATOM 0 H GLU A 93 4.747 18.247 -0.371 1.00 53.11 H new ATOM 0 HA GLU A 93 2.539 16.657 0.597 1.00 23.42 H new ATOM 0 HB2 GLU A 93 3.369 19.469 0.384 1.00 34.24 H new ATOM 0 HB3 GLU A 93 1.661 19.215 0.086 1.00 34.24 H new ATOM 0 HG2 GLU A 93 1.403 17.997 2.204 1.00 42.33 H new ATOM 0 HG3 GLU A 93 3.134 18.001 2.472 1.00 42.33 H new ATOM 1502 N VAL A 94 1.098 16.415 -1.412 1.00 61.02 N ATOM 1503 CA VAL A 94 0.267 16.096 -2.556 1.00 22.31 C ATOM 1504 C VAL A 94 -1.178 16.492 -2.240 1.00 3.41 C ATOM 1505 O VAL A 94 -1.471 17.026 -1.163 1.00 33.42 O ATOM 1506 CB VAL A 94 0.545 14.701 -3.145 1.00 24.31 C ATOM 1507 CG1 VAL A 94 2.042 14.467 -3.415 1.00 2.43 C ATOM 1508 CG2 VAL A 94 0.019 13.547 -2.302 1.00 41.25 C ATOM 0 H VAL A 94 0.807 15.926 -0.565 1.00 61.02 H new ATOM 0 HA VAL A 94 0.535 16.700 -3.423 1.00 22.31 H new ATOM 0 HB VAL A 94 -0.007 14.706 -4.085 1.00 24.31 H new ATOM 0 HG11 VAL A 94 2.185 13.469 -3.830 1.00 2.43 H new ATOM 0 HG12 VAL A 94 2.404 15.211 -4.125 1.00 2.43 H new ATOM 0 HG13 VAL A 94 2.598 14.555 -2.482 1.00 2.43 H new ATOM 0 HG21 VAL A 94 0.258 12.602 -2.790 1.00 41.25 H new ATOM 0 HG22 VAL A 94 0.484 13.575 -1.317 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -1.062 13.637 -2.195 1.00 41.25 H new ATOM 1518 N ASP A 95 -2.097 16.266 -3.175 1.00 12.24 N ATOM 1519 CA ASP A 95 -3.496 16.647 -2.989 1.00 73.42 C ATOM 1520 C ASP A 95 -4.177 15.622 -2.071 1.00 72.43 C ATOM 1521 O ASP A 95 -3.554 14.642 -1.633 1.00 54.12 O ATOM 1522 CB ASP A 95 -4.188 16.749 -4.364 1.00 24.10 C ATOM 1523 CG ASP A 95 -4.019 15.545 -5.291 1.00 42.23 C ATOM 1524 OD1 ASP A 95 -3.637 15.769 -6.464 1.00 12.02 O ATOM 1525 OD2 ASP A 95 -4.269 14.385 -4.896 1.00 45.14 O ATOM 0 H ASP A 95 -1.899 15.820 -4.071 1.00 12.24 H new ATOM 0 HA ASP A 95 -3.570 17.624 -2.512 1.00 73.42 H new ATOM 0 HB2 ASP A 95 -5.254 16.910 -4.201 1.00 24.10 H new ATOM 0 HB3 ASP A 95 -3.807 17.633 -4.876 1.00 24.10 H new ATOM 1530 N VAL A 96 -5.470 15.789 -1.790 1.00 3.21 N ATOM 1531 CA VAL A 96 -6.164 14.926 -0.842 1.00 13.04 C ATOM 1532 C VAL A 96 -7.195 14.008 -1.482 1.00 45.30 C ATOM 1533 O VAL A 96 -7.517 14.093 -2.671 1.00 14.24 O ATOM 1534 CB VAL A 96 -6.849 15.824 0.227 1.00 15.34 C ATOM 1535 CG1 VAL A 96 -5.976 16.984 0.731 1.00 74.51 C ATOM 1536 CG2 VAL A 96 -8.170 16.441 -0.264 1.00 54.22 C ATOM 0 H VAL A 96 -6.054 16.514 -2.206 1.00 3.21 H new ATOM 0 HA VAL A 96 -5.418 14.268 -0.396 1.00 13.04 H new ATOM 0 HB VAL A 96 -7.030 15.127 1.045 1.00 15.34 H new ATOM 0 HG11 VAL A 96 -6.529 17.560 1.473 1.00 74.51 H new ATOM 0 HG12 VAL A 96 -5.068 16.586 1.184 1.00 74.51 H new ATOM 0 HG13 VAL A 96 -5.711 17.630 -0.106 1.00 74.51 H new ATOM 0 HG21 VAL A 96 -8.600 17.057 0.526 1.00 54.22 H new ATOM 0 HG22 VAL A 96 -7.979 17.058 -1.142 1.00 54.22 H new ATOM 0 HG23 VAL A 96 -8.868 15.646 -0.525 1.00 54.22 H new ATOM 1546 N VAL A 97 -7.649 13.060 -0.662 1.00 33.02 N ATOM 1547 CA VAL A 97 -8.667 12.105 -1.076 1.00 61.41 C ATOM 1548 C VAL A 97 -9.984 12.874 -0.949 1.00 65.15 C ATOM 1549 O VAL A 97 -10.239 13.480 0.101 1.00 55.22 O ATOM 1550 CB VAL A 97 -8.669 10.829 -0.204 1.00 64.04 C ATOM 1551 CG1 VAL A 97 -9.532 9.737 -0.849 1.00 54.23 C ATOM 1552 CG2 VAL A 97 -7.264 10.247 0.027 1.00 72.14 C ATOM 0 H VAL A 97 -7.323 12.936 0.297 1.00 33.02 H new ATOM 0 HA VAL A 97 -8.490 11.743 -2.089 1.00 61.41 H new ATOM 0 HB VAL A 97 -9.076 11.135 0.760 1.00 64.04 H new ATOM 0 HG11 VAL A 97 -9.521 8.846 -0.221 1.00 54.23 H new ATOM 0 HG12 VAL A 97 -10.556 10.096 -0.952 1.00 54.23 H new ATOM 0 HG13 VAL A 97 -9.133 9.492 -1.833 1.00 54.23 H new ATOM 0 HG21 VAL A 97 -7.338 9.353 0.646 1.00 72.14 H new ATOM 0 HG22 VAL A 97 -6.815 9.988 -0.932 1.00 72.14 H new ATOM 0 HG23 VAL A 97 -6.642 10.987 0.530 1.00 72.14 H new ATOM 1562 N THR A 98 -10.791 12.899 -2.007 1.00 60.32 N ATOM 1563 CA THR A 98 -12.067 13.597 -1.968 1.00 42.43 C ATOM 1564 C THR A 98 -13.028 12.822 -1.044 1.00 21.13 C ATOM 1565 O THR A 98 -12.804 11.632 -0.801 1.00 33.22 O ATOM 1566 CB THR A 98 -12.570 13.829 -3.402 1.00 50.31 C ATOM 1567 OG1 THR A 98 -12.902 12.633 -4.084 1.00 14.22 O ATOM 1568 CG2 THR A 98 -11.533 14.586 -4.238 1.00 51.34 C ATOM 0 H THR A 98 -10.583 12.445 -2.896 1.00 60.32 H new ATOM 0 HA THR A 98 -11.979 14.594 -1.536 1.00 42.43 H new ATOM 0 HB THR A 98 -13.479 14.421 -3.291 1.00 50.31 H new ATOM 0 HG1 THR A 98 -13.216 12.848 -4.987 1.00 14.22 H new ATOM 0 HG21 THR A 98 -11.918 14.735 -5.247 1.00 51.34 H new ATOM 0 HG22 THR A 98 -11.333 15.554 -3.779 1.00 51.34 H new ATOM 0 HG23 THR A 98 -10.610 14.008 -4.283 1.00 51.34 H new ATOM 1576 N PRO A 99 -14.122 13.414 -0.532 1.00 60.12 N ATOM 1577 CA PRO A 99 -15.045 12.725 0.369 1.00 4.10 C ATOM 1578 C PRO A 99 -15.696 11.496 -0.259 1.00 13.22 C ATOM 1579 O PRO A 99 -15.949 10.510 0.440 1.00 14.11 O ATOM 1580 CB PRO A 99 -16.077 13.778 0.782 1.00 40.20 C ATOM 1581 CG PRO A 99 -16.023 14.808 -0.344 1.00 30.31 C ATOM 1582 CD PRO A 99 -14.546 14.788 -0.714 1.00 1.41 C ATOM 0 HA PRO A 99 -14.511 12.323 1.230 1.00 4.10 H new ATOM 0 HB2 PRO A 99 -17.072 13.345 0.880 1.00 40.20 H new ATOM 0 HB3 PRO A 99 -15.828 14.225 1.744 1.00 40.20 H new ATOM 0 HG2 PRO A 99 -16.659 14.529 -1.184 1.00 30.31 H new ATOM 0 HG3 PRO A 99 -16.348 15.794 -0.012 1.00 30.31 H new ATOM 0 HD2 PRO A 99 -14.394 15.113 -1.743 1.00 1.41 H new ATOM 0 HD3 PRO A 99 -13.973 15.463 -0.079 1.00 1.41 H new ATOM 1590 N GLU A 100 -15.973 11.555 -1.558 1.00 45.04 N ATOM 1591 CA GLU A 100 -16.595 10.488 -2.319 1.00 30.14 C ATOM 1592 C GLU A 100 -15.645 9.300 -2.417 1.00 14.52 C ATOM 1593 O GLU A 100 -16.063 8.161 -2.202 1.00 53.10 O ATOM 1594 CB GLU A 100 -16.966 11.040 -3.703 1.00 14.51 C ATOM 1595 CG GLU A 100 -18.364 11.677 -3.696 1.00 10.12 C ATOM 1596 CD GLU A 100 -19.385 10.704 -4.269 1.00 21.10 C ATOM 1597 OE1 GLU A 100 -19.604 10.711 -5.507 1.00 2.34 O ATOM 1598 OE2 GLU A 100 -19.901 9.856 -3.506 1.00 12.31 O ATOM 0 H GLU A 100 -15.762 12.376 -2.125 1.00 45.04 H new ATOM 0 HA GLU A 100 -17.501 10.135 -1.826 1.00 30.14 H new ATOM 0 HB2 GLU A 100 -16.228 11.781 -4.010 1.00 14.51 H new ATOM 0 HB3 GLU A 100 -16.935 10.235 -4.438 1.00 14.51 H new ATOM 0 HG2 GLU A 100 -18.642 11.951 -2.678 1.00 10.12 H new ATOM 0 HG3 GLU A 100 -18.357 12.596 -4.283 1.00 10.12 H new ATOM 1605 N GLN A 101 -14.376 9.528 -2.759 1.00 62.23 N ATOM 1606 CA GLN A 101 -13.424 8.429 -2.860 1.00 31.31 C ATOM 1607 C GLN A 101 -13.032 7.937 -1.467 1.00 24.33 C ATOM 1608 O GLN A 101 -12.841 6.731 -1.278 1.00 33.11 O ATOM 1609 CB GLN A 101 -12.177 8.847 -3.640 1.00 34.14 C ATOM 1610 CG GLN A 101 -12.493 9.163 -5.107 1.00 2.03 C ATOM 1611 CD GLN A 101 -11.247 9.415 -5.957 1.00 14.11 C ATOM 1612 OE1 GLN A 101 -10.118 9.454 -5.476 1.00 45.04 O ATOM 1613 NE2 GLN A 101 -11.434 9.552 -7.260 1.00 63.23 N ATOM 0 H GLN A 101 -13.991 10.449 -2.967 1.00 62.23 H new ATOM 0 HA GLN A 101 -13.907 7.616 -3.402 1.00 31.31 H new ATOM 0 HB2 GLN A 101 -11.732 9.723 -3.169 1.00 34.14 H new ATOM 0 HB3 GLN A 101 -11.436 8.049 -3.593 1.00 34.14 H new ATOM 0 HG2 GLN A 101 -13.055 8.334 -5.537 1.00 2.03 H new ATOM 0 HG3 GLN A 101 -13.137 10.041 -5.151 1.00 2.03 H new ATOM 0 HE21 GLN A 101 -12.377 9.518 -7.646 1.00 63.23 H new ATOM 0 HE22 GLN A 101 -10.635 9.692 -7.878 1.00 63.23 H new ATOM 1622 N ALA A 102 -12.970 8.840 -0.481 1.00 33.45 N ATOM 1623 CA ALA A 102 -12.596 8.493 0.875 1.00 1.11 C ATOM 1624 C ALA A 102 -13.584 7.503 1.476 1.00 12.21 C ATOM 1625 O ALA A 102 -13.161 6.441 1.930 1.00 71.22 O ATOM 1626 CB ALA A 102 -12.506 9.750 1.752 1.00 64.21 C ATOM 0 H ALA A 102 -13.180 9.830 -0.612 1.00 33.45 H new ATOM 0 HA ALA A 102 -11.614 8.021 0.840 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -12.224 9.467 2.766 1.00 64.21 H new ATOM 0 HB2 ALA A 102 -11.756 10.427 1.342 1.00 64.21 H new ATOM 0 HB3 ALA A 102 -13.474 10.250 1.771 1.00 64.21 H new ATOM 1632 N LYS A 103 -14.891 7.790 1.404 1.00 64.25 N ATOM 1633 CA LYS A 103 -15.900 6.902 1.980 1.00 0.42 C ATOM 1634 C LYS A 103 -16.009 5.589 1.233 1.00 64.41 C ATOM 1635 O LYS A 103 -16.339 4.584 1.847 1.00 63.10 O ATOM 1636 CB LYS A 103 -17.273 7.581 2.108 1.00 13.43 C ATOM 1637 CG LYS A 103 -17.959 7.901 0.765 1.00 15.15 C ATOM 1638 CD LYS A 103 -19.323 7.234 0.557 1.00 4.12 C ATOM 1639 CE LYS A 103 -20.346 7.616 1.639 1.00 44.51 C ATOM 1640 NZ LYS A 103 -21.680 7.025 1.386 1.00 22.03 N ATOM 0 H LYS A 103 -15.269 8.625 0.955 1.00 64.25 H new ATOM 0 HA LYS A 103 -15.555 6.674 2.988 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -17.930 6.936 2.692 1.00 13.43 H new ATOM 0 HB3 LYS A 103 -17.154 8.507 2.670 1.00 13.43 H new ATOM 0 HG2 LYS A 103 -18.084 8.981 0.687 1.00 15.15 H new ATOM 0 HG3 LYS A 103 -17.296 7.598 -0.045 1.00 15.15 H new ATOM 0 HD2 LYS A 103 -19.714 7.515 -0.421 1.00 4.12 H new ATOM 0 HD3 LYS A 103 -19.195 6.152 0.550 1.00 4.12 H new ATOM 0 HE2 LYS A 103 -19.983 7.285 2.612 1.00 44.51 H new ATOM 0 HE3 LYS A 103 -20.435 8.701 1.685 1.00 44.51 H new ATOM 0 HZ1 LYS A 103 -22.335 7.311 2.142 1.00 22.03 H new ATOM 0 HZ2 LYS A 103 -22.040 7.361 0.470 1.00 22.03 H new ATOM 0 HZ3 LYS A 103 -21.603 5.988 1.369 1.00 22.03 H new ATOM 1654 N TYR A 104 -15.728 5.573 -0.072 1.00 1.22 N ATOM 1655 CA TYR A 104 -15.795 4.390 -0.922 1.00 30.42 C ATOM 1656 C TYR A 104 -14.957 3.246 -0.353 1.00 0.25 C ATOM 1657 O TYR A 104 -15.283 2.085 -0.596 1.00 32.25 O ATOM 1658 CB TYR A 104 -15.478 4.756 -2.376 1.00 62.31 C ATOM 1659 CG TYR A 104 -16.705 4.997 -3.246 1.00 5.33 C ATOM 1660 CD1 TYR A 104 -17.874 5.579 -2.714 1.00 42.51 C ATOM 1661 CD2 TYR A 104 -16.674 4.643 -4.608 1.00 55.20 C ATOM 1662 CE1 TYR A 104 -19.017 5.748 -3.511 1.00 13.02 C ATOM 1663 CE2 TYR A 104 -17.815 4.814 -5.417 1.00 74.13 C ATOM 1664 CZ TYR A 104 -19.000 5.355 -4.865 1.00 54.34 C ATOM 1665 OH TYR A 104 -20.134 5.502 -5.601 1.00 31.45 O ATOM 0 H TYR A 104 -15.439 6.410 -0.578 1.00 1.22 H new ATOM 0 HA TYR A 104 -16.815 4.006 -0.930 1.00 30.42 H new ATOM 0 HB2 TYR A 104 -14.859 5.653 -2.385 1.00 62.31 H new ATOM 0 HB3 TYR A 104 -14.885 3.955 -2.819 1.00 62.31 H new ATOM 0 HD1 TYR A 104 -17.890 5.898 -1.682 1.00 42.51 H new ATOM 0 HD2 TYR A 104 -15.769 4.237 -5.036 1.00 55.20 H new ATOM 0 HE1 TYR A 104 -19.911 6.180 -3.086 1.00 13.02 H new ATOM 0 HE2 TYR A 104 -17.785 4.532 -6.459 1.00 74.13 H new ATOM 0 HH TYR A 104 -19.973 5.190 -6.516 1.00 31.45 H new ATOM 1675 N ALA A 105 -13.910 3.563 0.416 1.00 22.33 N ATOM 1676 CA ALA A 105 -13.040 2.591 1.057 1.00 13.03 C ATOM 1677 C ALA A 105 -13.855 1.594 1.892 1.00 32.43 C ATOM 1678 O ALA A 105 -13.438 0.444 2.024 1.00 71.20 O ATOM 1679 CB ALA A 105 -12.095 3.349 1.987 1.00 42.31 C ATOM 0 H ALA A 105 -13.644 4.528 0.610 1.00 22.33 H new ATOM 0 HA ALA A 105 -12.492 2.038 0.294 1.00 13.03 H new ATOM 0 HB1 ALA A 105 -11.429 2.643 2.483 1.00 42.31 H new ATOM 0 HB2 ALA A 105 -11.505 4.059 1.407 1.00 42.31 H new ATOM 0 HB3 ALA A 105 -12.676 3.887 2.736 1.00 42.31 H new ATOM 1685 N TYR A 106 -15.012 2.006 2.429 1.00 32.14 N ATOM 1686 CA TYR A 106 -15.861 1.142 3.240 1.00 3.00 C ATOM 1687 C TYR A 106 -16.270 -0.141 2.513 1.00 15.31 C ATOM 1688 O TYR A 106 -16.429 -1.179 3.155 1.00 51.23 O ATOM 1689 CB TYR A 106 -17.084 1.917 3.757 1.00 15.33 C ATOM 1690 CG TYR A 106 -18.342 1.864 2.897 1.00 33.23 C ATOM 1691 CD1 TYR A 106 -18.344 2.295 1.555 1.00 4.53 C ATOM 1692 CD2 TYR A 106 -19.528 1.352 3.453 1.00 24.03 C ATOM 1693 CE1 TYR A 106 -19.527 2.271 0.797 1.00 4.41 C ATOM 1694 CE2 TYR A 106 -20.702 1.268 2.689 1.00 4.42 C ATOM 1695 CZ TYR A 106 -20.709 1.749 1.362 1.00 12.41 C ATOM 1696 OH TYR A 106 -21.860 1.694 0.637 1.00 63.42 O ATOM 0 H TYR A 106 -15.380 2.950 2.309 1.00 32.14 H new ATOM 0 HA TYR A 106 -15.268 0.823 4.098 1.00 3.00 H new ATOM 0 HB2 TYR A 106 -17.333 1.538 4.748 1.00 15.33 H new ATOM 0 HB3 TYR A 106 -16.798 2.962 3.878 1.00 15.33 H new ATOM 0 HD1 TYR A 106 -17.428 2.647 1.105 1.00 4.53 H new ATOM 0 HD2 TYR A 106 -19.535 1.019 4.480 1.00 24.03 H new ATOM 0 HE1 TYR A 106 -19.531 2.651 -0.214 1.00 4.41 H new ATOM 0 HE2 TYR A 106 -21.596 0.837 3.114 1.00 4.42 H new ATOM 0 HH TYR A 106 -22.573 1.304 1.185 1.00 63.42 H new ATOM 1706 N GLN A 107 -16.411 -0.096 1.183 1.00 72.21 N ATOM 1707 CA GLN A 107 -16.787 -1.258 0.392 1.00 5.12 C ATOM 1708 C GLN A 107 -15.711 -2.328 0.535 1.00 52.43 C ATOM 1709 O GLN A 107 -16.001 -3.504 0.722 1.00 40.11 O ATOM 1710 CB GLN A 107 -16.960 -0.879 -1.081 1.00 2.32 C ATOM 1711 CG GLN A 107 -18.128 0.090 -1.279 1.00 74.22 C ATOM 1712 CD GLN A 107 -18.675 0.003 -2.694 1.00 15.32 C ATOM 1713 OE1 GLN A 107 -19.595 -0.768 -2.958 1.00 71.21 O ATOM 1714 NE2 GLN A 107 -18.118 0.745 -3.635 1.00 0.33 N ATOM 0 H GLN A 107 -16.266 0.750 0.632 1.00 72.21 H new ATOM 0 HA GLN A 107 -17.740 -1.643 0.755 1.00 5.12 H new ATOM 0 HB2 GLN A 107 -16.041 -0.423 -1.450 1.00 2.32 H new ATOM 0 HB3 GLN A 107 -17.129 -1.779 -1.672 1.00 2.32 H new ATOM 0 HG2 GLN A 107 -18.919 -0.138 -0.565 1.00 74.22 H new ATOM 0 HG3 GLN A 107 -17.798 1.109 -1.075 1.00 74.22 H new ATOM 0 HE21 GLN A 107 -17.355 1.380 -3.399 1.00 0.33 H new ATOM 0 HE22 GLN A 107 -18.451 0.683 -4.597 1.00 0.33 H new ATOM 1723 N ARG A 108 -14.452 -1.910 0.438 1.00 0.40 N ATOM 1724 CA ARG A 108 -13.290 -2.778 0.543 1.00 35.41 C ATOM 1725 C ARG A 108 -13.195 -3.366 1.950 1.00 34.33 C ATOM 1726 O ARG A 108 -12.654 -4.461 2.107 1.00 5.21 O ATOM 1727 CB ARG A 108 -12.038 -2.013 0.106 1.00 72.30 C ATOM 1728 CG ARG A 108 -12.207 -1.255 -1.226 1.00 22.04 C ATOM 1729 CD ARG A 108 -12.614 -2.199 -2.367 1.00 60.10 C ATOM 1730 NE ARG A 108 -12.341 -1.610 -3.686 1.00 55.01 N ATOM 1731 CZ ARG A 108 -12.129 -2.306 -4.811 1.00 15.43 C ATOM 1732 NH1 ARG A 108 -12.500 -3.580 -4.883 1.00 71.14 N ATOM 1733 NH2 ARG A 108 -11.549 -1.713 -5.847 1.00 52.23 N ATOM 0 H ARG A 108 -14.209 -0.932 0.280 1.00 0.40 H new ATOM 0 HA ARG A 108 -13.387 -3.629 -0.131 1.00 35.41 H new ATOM 0 HB2 ARG A 108 -11.767 -1.302 0.886 1.00 72.30 H new ATOM 0 HB3 ARG A 108 -11.209 -2.714 0.012 1.00 72.30 H new ATOM 0 HG2 ARG A 108 -12.962 -0.478 -1.109 1.00 22.04 H new ATOM 0 HG3 ARG A 108 -11.273 -0.756 -1.482 1.00 22.04 H new ATOM 0 HD2 ARG A 108 -12.073 -3.140 -2.270 1.00 60.10 H new ATOM 0 HD3 ARG A 108 -13.676 -2.431 -2.285 1.00 60.10 H new ATOM 0 HE ARG A 108 -12.311 -0.592 -3.750 1.00 55.01 H new ATOM 0 HH11 ARG A 108 -12.946 -4.027 -4.082 1.00 71.14 H new ATOM 0 HH12 ARG A 108 -12.339 -4.110 -5.739 1.00 71.14 H new ATOM 0 HH21 ARG A 108 -11.268 -0.734 -5.783 1.00 52.23 H new ATOM 0 HH22 ARG A 108 -11.384 -2.236 -6.707 1.00 52.23 H new ATOM 1747 N TYR A 109 -13.686 -2.655 2.970 1.00 13.02 N ATOM 1748 CA TYR A 109 -13.672 -3.172 4.324 1.00 62.11 C ATOM 1749 C TYR A 109 -14.711 -4.284 4.413 1.00 13.43 C ATOM 1750 O TYR A 109 -14.374 -5.405 4.788 1.00 33.04 O ATOM 1751 CB TYR A 109 -13.956 -2.058 5.338 1.00 74.43 C ATOM 1752 CG TYR A 109 -13.862 -2.525 6.779 1.00 4.43 C ATOM 1753 CD1 TYR A 109 -14.910 -3.270 7.355 1.00 53.05 C ATOM 1754 CD2 TYR A 109 -12.704 -2.263 7.534 1.00 2.42 C ATOM 1755 CE1 TYR A 109 -14.789 -3.787 8.654 1.00 12.44 C ATOM 1756 CE2 TYR A 109 -12.581 -2.775 8.837 1.00 53.12 C ATOM 1757 CZ TYR A 109 -13.609 -3.565 9.396 1.00 41.11 C ATOM 1758 OH TYR A 109 -13.447 -4.112 10.630 1.00 4.14 O ATOM 0 H TYR A 109 -14.094 -1.725 2.875 1.00 13.02 H new ATOM 0 HA TYR A 109 -12.686 -3.570 4.565 1.00 62.11 H new ATOM 0 HB2 TYR A 109 -13.250 -1.243 5.180 1.00 74.43 H new ATOM 0 HB3 TYR A 109 -14.953 -1.656 5.157 1.00 74.43 H new ATOM 0 HD1 TYR A 109 -15.815 -3.445 6.792 1.00 53.05 H new ATOM 0 HD2 TYR A 109 -11.908 -1.667 7.111 1.00 2.42 H new ATOM 0 HE1 TYR A 109 -15.599 -4.355 9.086 1.00 12.44 H new ATOM 0 HE2 TYR A 109 -11.694 -2.563 9.415 1.00 53.12 H new ATOM 0 HH TYR A 109 -12.573 -3.853 10.991 1.00 4.14 H new ATOM 1768 N GLN A 110 -15.961 -4.000 4.025 1.00 34.14 N ATOM 1769 CA GLN A 110 -17.040 -4.978 4.078 1.00 53.35 C ATOM 1770 C GLN A 110 -16.760 -6.197 3.194 1.00 34.32 C ATOM 1771 O GLN A 110 -17.256 -7.282 3.488 1.00 53.33 O ATOM 1772 CB GLN A 110 -18.441 -4.376 3.873 1.00 63.21 C ATOM 1773 CG GLN A 110 -18.724 -3.771 2.497 1.00 41.42 C ATOM 1774 CD GLN A 110 -20.208 -3.456 2.319 1.00 10.31 C ATOM 1775 OE1 GLN A 110 -20.886 -4.040 1.478 1.00 32.21 O ATOM 1776 NE2 GLN A 110 -20.761 -2.531 3.082 1.00 32.42 N ATOM 0 H GLN A 110 -16.246 -3.088 3.668 1.00 34.14 H new ATOM 0 HA GLN A 110 -17.057 -5.344 5.104 1.00 53.35 H new ATOM 0 HB2 GLN A 110 -19.179 -5.155 4.062 1.00 63.21 H new ATOM 0 HB3 GLN A 110 -18.594 -3.602 4.625 1.00 63.21 H new ATOM 0 HG2 GLN A 110 -18.140 -2.859 2.372 1.00 41.42 H new ATOM 0 HG3 GLN A 110 -18.402 -4.465 1.720 1.00 41.42 H new ATOM 0 HE21 GLN A 110 -20.200 -2.044 3.781 1.00 32.42 H new ATOM 0 HE22 GLN A 110 -21.749 -2.303 2.972 1.00 32.42 H new ATOM 1785 N GLU A 111 -16.003 -6.031 2.108 1.00 71.23 N ATOM 1786 CA GLU A 111 -15.653 -7.119 1.195 1.00 3.40 C ATOM 1787 C GLU A 111 -15.032 -8.293 1.955 1.00 41.34 C ATOM 1788 O GLU A 111 -15.338 -9.442 1.652 1.00 75.43 O ATOM 1789 CB GLU A 111 -14.612 -6.618 0.171 1.00 22.23 C ATOM 1790 CG GLU A 111 -15.197 -6.137 -1.153 1.00 34.12 C ATOM 1791 CD GLU A 111 -15.584 -7.319 -2.037 1.00 52.20 C ATOM 1792 OE1 GLU A 111 -14.686 -7.898 -2.697 1.00 63.51 O ATOM 1793 OE2 GLU A 111 -16.785 -7.658 -2.111 1.00 75.41 O ATOM 0 H GLU A 111 -15.612 -5.129 1.836 1.00 71.23 H new ATOM 0 HA GLU A 111 -16.566 -7.446 0.698 1.00 3.40 H new ATOM 0 HB2 GLU A 111 -14.046 -5.802 0.620 1.00 22.23 H new ATOM 0 HB3 GLU A 111 -13.905 -7.423 -0.031 1.00 22.23 H new ATOM 0 HG2 GLU A 111 -16.073 -5.516 -0.964 1.00 34.12 H new ATOM 0 HG3 GLU A 111 -14.469 -5.512 -1.671 1.00 34.12 H new ATOM 1800 N ARG A 112 -14.108 -8.005 2.880 1.00 72.42 N ATOM 1801 CA ARG A 112 -13.422 -9.031 3.667 1.00 71.13 C ATOM 1802 C ARG A 112 -13.872 -9.149 5.111 1.00 74.52 C ATOM 1803 O ARG A 112 -14.025 -10.258 5.614 1.00 62.03 O ATOM 1804 CB ARG A 112 -11.903 -8.800 3.607 1.00 63.44 C ATOM 1805 CG ARG A 112 -11.278 -9.040 2.218 1.00 63.31 C ATOM 1806 CD ARG A 112 -10.924 -10.512 1.936 1.00 72.32 C ATOM 1807 NE ARG A 112 -12.080 -11.421 1.916 1.00 54.34 N ATOM 1808 CZ ARG A 112 -13.036 -11.497 0.981 1.00 21.34 C ATOM 1809 NH1 ARG A 112 -12.923 -10.787 -0.139 1.00 14.14 N ATOM 1810 NH2 ARG A 112 -14.097 -12.274 1.169 1.00 43.35 N ATOM 0 H ARG A 112 -13.817 -7.053 3.102 1.00 72.42 H new ATOM 0 HA ARG A 112 -13.695 -9.980 3.206 1.00 71.13 H new ATOM 0 HB2 ARG A 112 -11.691 -7.776 3.916 1.00 63.44 H new ATOM 0 HB3 ARG A 112 -11.419 -9.458 4.329 1.00 63.44 H new ATOM 0 HG2 ARG A 112 -11.972 -8.691 1.453 1.00 63.31 H new ATOM 0 HG3 ARG A 112 -10.375 -8.436 2.128 1.00 63.31 H new ATOM 0 HD2 ARG A 112 -10.413 -10.573 0.975 1.00 72.32 H new ATOM 0 HD3 ARG A 112 -10.220 -10.855 2.694 1.00 72.32 H new ATOM 0 HE ARG A 112 -12.163 -12.066 2.702 1.00 54.34 H new ATOM 0 HH11 ARG A 112 -12.110 -10.188 -0.283 1.00 14.14 H new ATOM 0 HH12 ARG A 112 -13.649 -10.842 -0.853 1.00 14.14 H new ATOM 0 HH21 ARG A 112 -14.186 -12.816 2.028 1.00 43.35 H new ATOM 0 HH22 ARG A 112 -14.822 -12.328 0.454 1.00 43.35 H new ATOM 1824 N TYR A 113 -14.087 -8.022 5.777 1.00 34.44 N ATOM 1825 CA TYR A 113 -14.461 -7.934 7.183 1.00 23.50 C ATOM 1826 C TYR A 113 -15.946 -7.627 7.420 1.00 53.23 C ATOM 1827 O TYR A 113 -16.327 -7.216 8.524 1.00 14.13 O ATOM 1828 CB TYR A 113 -13.516 -6.904 7.820 1.00 10.23 C ATOM 1829 CG TYR A 113 -12.048 -7.086 7.462 1.00 32.41 C ATOM 1830 CD1 TYR A 113 -11.431 -6.223 6.534 1.00 70.42 C ATOM 1831 CD2 TYR A 113 -11.319 -8.158 8.011 1.00 62.23 C ATOM 1832 CE1 TYR A 113 -10.084 -6.425 6.166 1.00 12.23 C ATOM 1833 CE2 TYR A 113 -9.967 -8.342 7.671 1.00 1.40 C ATOM 1834 CZ TYR A 113 -9.345 -7.476 6.749 1.00 13.12 C ATOM 1835 OH TYR A 113 -8.040 -7.663 6.417 1.00 44.14 O ATOM 0 H TYR A 113 -14.002 -7.107 5.335 1.00 34.44 H new ATOM 0 HA TYR A 113 -14.346 -8.908 7.659 1.00 23.50 H new ATOM 0 HB2 TYR A 113 -13.830 -5.905 7.516 1.00 10.23 H new ATOM 0 HB3 TYR A 113 -13.621 -6.955 8.904 1.00 10.23 H new ATOM 0 HD1 TYR A 113 -11.990 -5.405 6.104 1.00 70.42 H new ATOM 0 HD2 TYR A 113 -11.800 -8.841 8.695 1.00 62.23 H new ATOM 0 HE1 TYR A 113 -9.619 -5.776 5.439 1.00 12.23 H new ATOM 0 HE2 TYR A 113 -9.404 -9.148 8.117 1.00 1.40 H new ATOM 0 HH TYR A 113 -7.683 -8.430 6.912 1.00 44.14 H new ATOM 1845 N GLY A 114 -16.786 -7.790 6.396 1.00 73.21 N ATOM 1846 CA GLY A 114 -18.224 -7.556 6.428 1.00 60.11 C ATOM 1847 C GLY A 114 -18.960 -8.627 5.625 1.00 21.45 C ATOM 1848 O GLY A 114 -18.409 -9.696 5.346 1.00 21.25 O ATOM 0 H GLY A 114 -16.463 -8.104 5.481 1.00 73.21 H new ATOM 0 HA2 GLY A 114 -18.576 -7.561 7.460 1.00 60.11 H new ATOM 0 HA3 GLY A 114 -18.447 -6.570 6.020 1.00 60.11 H new