USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -1.62 K(o=-1.2,f=-0.54) USER MOD Set 1.2: A 83 SER OG : rot -66:sc= 0.418 USER MOD Set 2.1: A 30 SER OG : rot 36:sc= 0.143 USER MOD Set 2.2: A 33 MET CE :methyl -116:sc= -1.01 (180deg=-0.4) USER MOD Set 2.3: A 57 HIS : no HE2:sc= -0.104 K(o=-0.97,f=-4.9) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -134:sc= -1.42! USER MOD Single : A 22 ASN : amide:sc= -0.987 K(o=-0.99,f=-0.091) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.051) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 36 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.2) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 90:sc= 0.0296 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 148:sc= -1.93 (180deg=-4.71!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.23! C(o=-4.2!,f=-3.3!) USER MOD Single : A 56 SER OG : rot 73:sc= 0.062 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.17) USER MOD Single : A 66 MET CE :methyl -128:sc= -0.513 (180deg=-1.82!) USER MOD Single : A 69 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.028 K(o=-0.028,f=-0.78) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.483 -5.904 -5.644 1.00 0.00 N ATOM 142 CA ALA A 13 -2.127 -6.234 -5.222 1.00 0.00 C ATOM 143 C ALA A 13 -1.846 -7.723 -5.394 1.00 0.00 C ATOM 144 O ALA A 13 -2.766 -8.541 -5.419 1.00 0.00 O ATOM 145 CB ALA A 13 -1.909 -5.817 -3.775 1.00 0.00 C ATOM 0 HA ALA A 13 -1.431 -5.684 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.893 -6.069 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.060 -4.742 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.618 -6.341 -3.135 1.00 0.00 H new ATOM 151 N THR A 14 -0.568 -8.069 -5.513 1.00 0.00 N ATOM 152 CA THR A 14 -0.166 -9.459 -5.685 1.00 0.00 C ATOM 153 C THR A 14 0.684 -9.935 -4.513 1.00 0.00 C ATOM 154 O THR A 14 1.351 -9.137 -3.853 1.00 0.00 O ATOM 155 CB THR A 14 0.625 -9.658 -6.992 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.133 -9.167 -8.103 1.00 0.00 O ATOM 157 CG2 THR A 14 0.955 -11.128 -7.207 1.00 0.00 C ATOM 0 H THR A 14 0.206 -7.405 -5.493 1.00 0.00 H new ATOM 0 HA THR A 14 -1.082 -10.049 -5.730 1.00 0.00 H new ATOM 0 HB THR A 14 1.558 -9.100 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.377 -9.296 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.514 -11.243 -8.136 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.557 -11.491 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.031 -11.704 -7.265 1.00 0.00 H new ATOM 165 N VAL A 15 0.657 -11.239 -4.258 1.00 0.00 N ATOM 166 CA VAL A 15 1.427 -11.821 -3.165 1.00 0.00 C ATOM 167 C VAL A 15 2.878 -12.049 -3.576 1.00 0.00 C ATOM 168 O VAL A 15 3.154 -12.559 -4.661 1.00 0.00 O ATOM 169 CB VAL A 15 0.821 -13.158 -2.700 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.710 -14.128 -3.867 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.650 -13.757 -1.575 1.00 0.00 C ATOM 0 H VAL A 15 0.110 -11.913 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 15 1.393 -11.109 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.182 -12.969 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.280 -15.067 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.070 -13.699 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.701 -14.314 -4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.207 -14.701 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.667 -13.933 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.672 -13.067 -0.732 1.00 0.00 H new ATOM 181 N GLY A 16 3.802 -11.668 -2.699 1.00 0.00 N ATOM 182 CA GLY A 16 5.214 -11.839 -2.989 1.00 0.00 C ATOM 183 C GLY A 16 5.774 -10.711 -3.833 1.00 0.00 C ATOM 184 O GLY A 16 6.900 -10.264 -3.615 1.00 0.00 O ATOM 0 H GLY A 16 3.598 -11.244 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.769 -11.898 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.363 -12.786 -3.508 1.00 0.00 H new ATOM 188 N SER A 17 4.987 -10.251 -4.800 1.00 0.00 N ATOM 189 CA SER A 17 5.413 -9.172 -5.684 1.00 0.00 C ATOM 190 C SER A 17 5.419 -7.836 -4.946 1.00 0.00 C ATOM 191 O SER A 17 4.587 -7.594 -4.072 1.00 0.00 O ATOM 192 CB SER A 17 4.493 -9.089 -6.903 1.00 0.00 C ATOM 193 OG SER A 17 4.967 -9.910 -7.956 1.00 0.00 O ATOM 0 H SER A 17 4.051 -10.608 -4.991 1.00 0.00 H new ATOM 0 HA SER A 17 6.428 -9.388 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.485 -9.396 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.428 -8.056 -7.244 1.00 0.00 H new ATOM 0 HG SER A 17 4.361 -9.841 -8.723 1.00 0.00 H new ATOM 199 N ILE A 18 6.365 -6.974 -5.305 1.00 0.00 N ATOM 200 CA ILE A 18 6.479 -5.663 -4.679 1.00 0.00 C ATOM 201 C ILE A 18 5.230 -4.824 -4.926 1.00 0.00 C ATOM 202 O ILE A 18 4.909 -4.491 -6.067 1.00 0.00 O ATOM 203 CB ILE A 18 7.710 -4.896 -5.199 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.963 -5.767 -5.092 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.891 -3.599 -4.426 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.380 -6.053 -3.666 1.00 0.00 C ATOM 0 H ILE A 18 7.063 -7.160 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 18 6.592 -5.834 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 18 7.550 -4.650 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.784 -6.711 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.785 -5.273 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.765 -3.069 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.006 -2.975 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.033 -3.822 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.275 -6.675 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.591 -5.114 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.575 -6.576 -3.149 1.00 0.00 H new ATOM 218 N CYS A 19 4.530 -4.485 -3.849 1.00 0.00 N ATOM 219 CA CYS A 19 3.315 -3.684 -3.948 1.00 0.00 C ATOM 220 C CYS A 19 3.636 -2.196 -3.852 1.00 0.00 C ATOM 221 O CYS A 19 4.362 -1.764 -2.957 1.00 0.00 O ATOM 222 CB CYS A 19 2.328 -4.078 -2.848 1.00 0.00 C ATOM 223 SG CYS A 19 0.620 -3.585 -3.178 1.00 0.00 S ATOM 0 H CYS A 19 4.783 -4.752 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 19 2.860 -3.877 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.363 -5.159 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.649 -3.629 -1.908 1.00 0.00 H new ATOM 0 HG CYS A 19 0.112 -3.039 -2.113 1.00 0.00 H new ATOM 229 N ASP A 20 3.091 -1.418 -4.780 1.00 0.00 N ATOM 230 CA ASP A 20 3.320 0.023 -4.801 1.00 0.00 C ATOM 231 C ASP A 20 2.012 0.783 -4.603 1.00 0.00 C ATOM 232 O ASP A 20 0.998 0.469 -5.228 1.00 0.00 O ATOM 233 CB ASP A 20 3.972 0.438 -6.120 1.00 0.00 C ATOM 234 CG ASP A 20 5.281 -0.284 -6.372 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.939 -0.680 -5.387 1.00 0.00 O ATOM 236 OD2 ASP A 20 5.646 -0.454 -7.554 1.00 0.00 O ATOM 0 H ASP A 20 2.488 -1.760 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 20 3.992 0.272 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.285 0.235 -6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.150 1.513 -6.111 1.00 0.00 H new ATOM 241 N LEU A 21 2.042 1.784 -3.731 1.00 0.00 N ATOM 242 CA LEU A 21 0.858 2.590 -3.450 1.00 0.00 C ATOM 243 C LEU A 21 0.920 3.924 -4.187 1.00 0.00 C ATOM 244 O LEU A 21 1.920 4.637 -4.116 1.00 0.00 O ATOM 245 CB LEU A 21 0.727 2.831 -1.945 1.00 0.00 C ATOM 246 CG LEU A 21 -0.689 3.085 -1.427 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.602 1.920 -1.778 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.673 3.317 0.077 1.00 0.00 C ATOM 0 H LEU A 21 2.873 2.058 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.016 2.042 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.134 1.966 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.349 3.686 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.076 3.983 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.606 2.118 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.638 1.799 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.218 1.007 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.689 3.496 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.266 2.438 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.052 4.184 0.305 1.00 0.00 H new ATOM 260 N ASN A 22 -0.156 4.255 -4.892 1.00 0.00 N ATOM 261 CA ASN A 22 -0.225 5.504 -5.641 1.00 0.00 C ATOM 262 C ASN A 22 -0.846 6.612 -4.795 1.00 0.00 C ATOM 263 O ASN A 22 -2.066 6.674 -4.632 1.00 0.00 O ATOM 264 CB ASN A 22 -1.036 5.311 -6.923 1.00 0.00 C ATOM 265 CG ASN A 22 -0.511 4.170 -7.773 1.00 0.00 C ATOM 266 OD1 ASN A 22 0.111 4.391 -8.813 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.759 2.942 -7.334 1.00 0.00 N ATOM 0 H ASN A 22 -0.993 3.676 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 22 0.791 5.797 -5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.078 5.119 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.016 6.233 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.430 2.135 -7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.278 2.806 -6.467 1.00 0.00 H new ATOM 274 N LEU A 23 0.000 7.485 -4.260 1.00 0.00 N ATOM 275 CA LEU A 23 -0.465 8.592 -3.431 1.00 0.00 C ATOM 276 C LEU A 23 0.165 9.908 -3.876 1.00 0.00 C ATOM 277 O LEU A 23 1.215 9.920 -4.519 1.00 0.00 O ATOM 278 CB LEU A 23 -0.137 8.327 -1.961 1.00 0.00 C ATOM 279 CG LEU A 23 -1.069 7.362 -1.228 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.387 6.794 0.006 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.367 8.060 -0.848 1.00 0.00 C ATOM 0 H LEU A 23 1.012 7.448 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.546 8.671 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.878 7.935 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.143 9.279 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.306 6.536 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.066 6.109 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.514 6.257 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.119 7.607 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.018 7.358 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.148 8.905 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.865 8.417 -1.749 1.00 0.00 H new ATOM 293 N LYS A 24 -0.481 11.015 -3.527 1.00 0.00 N ATOM 294 CA LYS A 24 0.016 12.338 -3.887 1.00 0.00 C ATOM 295 C LYS A 24 -0.556 13.405 -2.960 1.00 0.00 C ATOM 296 O LYS A 24 -1.743 13.725 -3.026 1.00 0.00 O ATOM 297 CB LYS A 24 -0.342 12.663 -5.339 1.00 0.00 C ATOM 298 CG LYS A 24 -1.819 12.499 -5.652 1.00 0.00 C ATOM 299 CD LYS A 24 -2.075 12.497 -7.150 1.00 0.00 C ATOM 300 CE LYS A 24 -1.700 11.163 -7.777 1.00 0.00 C ATOM 301 NZ LYS A 24 -1.443 11.291 -9.239 1.00 0.00 N ATOM 0 H LYS A 24 -1.351 11.022 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 24 1.101 12.332 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.045 13.689 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.235 12.017 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.182 11.567 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.382 13.308 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.127 12.707 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.500 13.295 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.811 10.767 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.503 10.445 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.190 10.361 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.299 11.645 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.660 11.957 -9.397 1.00 0.00 H new ATOM 315 N ILE A 25 0.295 13.952 -2.099 1.00 0.00 N ATOM 316 CA ILE A 25 -0.127 14.985 -1.161 1.00 0.00 C ATOM 317 C ILE A 25 0.826 16.175 -1.189 1.00 0.00 C ATOM 318 O ILE A 25 1.846 16.202 -0.500 1.00 0.00 O ATOM 319 CB ILE A 25 -0.208 14.441 0.277 1.00 0.00 C ATOM 320 CG1 ILE A 25 -0.685 12.987 0.269 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.136 15.304 1.119 1.00 0.00 C ATOM 322 CD1 ILE A 25 -0.951 12.430 1.651 1.00 0.00 C ATOM 0 H ILE A 25 1.280 13.697 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.119 15.309 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 25 0.788 14.475 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.597 12.916 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.066 12.370 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.183 14.906 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.757 16.326 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.134 15.299 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.286 11.396 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.036 12.469 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.724 13.023 2.140 1.00 0.00 H new ATOM 334 N PRO A 26 0.488 17.186 -2.003 1.00 0.00 N ATOM 335 CA PRO A 26 1.299 18.399 -2.139 1.00 0.00 C ATOM 336 C PRO A 26 1.259 19.267 -0.885 1.00 0.00 C ATOM 337 O PRO A 26 2.063 20.184 -0.729 1.00 0.00 O ATOM 338 CB PRO A 26 0.649 19.131 -3.316 1.00 0.00 C ATOM 339 CG PRO A 26 -0.760 18.647 -3.331 1.00 0.00 C ATOM 340 CD PRO A 26 -0.714 17.222 -2.853 1.00 0.00 C ATOM 0 HA PRO A 26 2.353 18.169 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.695 20.212 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.156 18.902 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.389 19.256 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.183 18.709 -4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.611 16.957 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.639 16.521 -3.685 1.00 0.00 H new ATOM 348 N GLU A 27 0.318 18.969 0.006 1.00 0.00 N ATOM 349 CA GLU A 27 0.175 19.722 1.246 1.00 0.00 C ATOM 350 C GLU A 27 1.009 19.100 2.361 1.00 0.00 C ATOM 351 O GLU A 27 1.172 19.687 3.431 1.00 0.00 O ATOM 352 CB GLU A 27 -1.296 19.781 1.666 1.00 0.00 C ATOM 353 CG GLU A 27 -1.496 20.114 3.135 1.00 0.00 C ATOM 354 CD GLU A 27 -2.894 20.620 3.433 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.840 19.805 3.397 1.00 0.00 O ATOM 356 OE2 GLU A 27 -3.042 21.831 3.701 1.00 0.00 O ATOM 0 H GLU A 27 -0.356 18.212 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 27 0.536 20.735 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.809 20.528 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.765 18.820 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.300 19.226 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.769 20.869 3.435 1.00 0.00 H new ATOM 363 N ILE A 28 1.535 17.907 2.103 1.00 0.00 N ATOM 364 CA ILE A 28 2.353 17.204 3.084 1.00 0.00 C ATOM 365 C ILE A 28 3.749 16.926 2.537 1.00 0.00 C ATOM 366 O ILE A 28 3.947 16.841 1.326 1.00 0.00 O ATOM 367 CB ILE A 28 1.705 15.873 3.507 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.502 16.133 4.416 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.724 14.987 4.208 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.365 14.912 4.635 1.00 0.00 C ATOM 0 H ILE A 28 1.409 17.407 1.223 1.00 0.00 H new ATOM 0 HA ILE A 28 2.430 17.854 3.955 1.00 0.00 H new ATOM 0 HB ILE A 28 1.356 15.355 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.857 16.494 5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.106 16.927 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.251 14.050 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.552 14.779 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.100 15.497 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.198 15.170 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.750 14.563 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.228 14.123 5.097 1.00 0.00 H new ATOM 382 N ASN A 29 4.714 16.783 3.439 1.00 0.00 N ATOM 383 CA ASN A 29 6.093 16.512 3.048 1.00 0.00 C ATOM 384 C ASN A 29 6.486 15.080 3.397 1.00 0.00 C ATOM 385 O ASN A 29 6.119 14.564 4.452 1.00 0.00 O ATOM 386 CB ASN A 29 7.042 17.496 3.735 1.00 0.00 C ATOM 387 CG ASN A 29 7.068 18.849 3.050 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.897 19.885 3.692 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.283 18.844 1.740 1.00 0.00 N ATOM 0 H ASN A 29 4.567 16.850 4.446 1.00 0.00 H new ATOM 0 HA ASN A 29 6.170 16.637 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.739 17.624 4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.049 17.078 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.312 19.724 1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.420 17.960 1.249 1.00 0.00 H new ATOM 396 N SER A 30 7.236 14.444 2.502 1.00 0.00 N ATOM 397 CA SER A 30 7.677 13.070 2.714 1.00 0.00 C ATOM 398 C SER A 30 8.594 12.975 3.930 1.00 0.00 C ATOM 399 O SER A 30 8.864 11.885 4.433 1.00 0.00 O ATOM 400 CB SER A 30 8.403 12.549 1.472 1.00 0.00 C ATOM 401 OG SER A 30 7.496 11.940 0.569 1.00 0.00 O ATOM 0 H SER A 30 7.551 14.858 1.624 1.00 0.00 H new ATOM 0 HA SER A 30 6.796 12.455 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.918 13.372 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.165 11.828 1.768 1.00 0.00 H new ATOM 0 HG SER A 30 6.647 12.430 0.578 1.00 0.00 H new ATOM 407 N SER A 31 9.070 14.125 4.396 1.00 0.00 N ATOM 408 CA SER A 31 9.959 14.173 5.550 1.00 0.00 C ATOM 409 C SER A 31 9.163 14.137 6.851 1.00 0.00 C ATOM 410 O SER A 31 9.728 13.971 7.933 1.00 0.00 O ATOM 411 CB SER A 31 10.824 15.434 5.503 1.00 0.00 C ATOM 412 OG SER A 31 11.517 15.531 4.271 1.00 0.00 O ATOM 0 H SER A 31 8.855 15.036 3.992 1.00 0.00 H new ATOM 0 HA SER A 31 10.606 13.296 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.197 16.315 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.539 15.419 6.326 1.00 0.00 H new ATOM 0 HG SER A 31 12.061 16.346 4.265 1.00 0.00 H new ATOM 418 N ASP A 32 7.849 14.292 6.738 1.00 0.00 N ATOM 419 CA ASP A 32 6.973 14.277 7.904 1.00 0.00 C ATOM 420 C ASP A 32 5.874 13.231 7.744 1.00 0.00 C ATOM 421 O ASP A 32 4.888 13.236 8.480 1.00 0.00 O ATOM 422 CB ASP A 32 6.353 15.658 8.121 1.00 0.00 C ATOM 423 CG ASP A 32 7.250 16.574 8.930 1.00 0.00 C ATOM 424 OD1 ASP A 32 8.117 16.058 9.667 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.087 17.808 8.824 1.00 0.00 O ATOM 0 H ASP A 32 7.366 14.430 5.850 1.00 0.00 H new ATOM 0 HA ASP A 32 7.573 14.017 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.147 16.117 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.396 15.548 8.631 1.00 0.00 H new ATOM 430 N MET A 33 6.050 12.338 6.776 1.00 0.00 N ATOM 431 CA MET A 33 5.073 11.286 6.520 1.00 0.00 C ATOM 432 C MET A 33 5.497 9.977 7.178 1.00 0.00 C ATOM 433 O MET A 33 6.674 9.775 7.478 1.00 0.00 O ATOM 434 CB MET A 33 4.897 11.080 5.014 1.00 0.00 C ATOM 435 CG MET A 33 3.926 12.060 4.376 1.00 0.00 C ATOM 436 SD MET A 33 4.038 12.076 2.576 1.00 0.00 S ATOM 437 CE MET A 33 3.794 10.341 2.206 1.00 0.00 C ATOM 0 H MET A 33 6.860 12.322 6.156 1.00 0.00 H new ATOM 0 HA MET A 33 4.121 11.596 6.951 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.868 11.174 4.527 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.546 10.064 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.909 11.802 4.671 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.124 13.062 4.757 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.696 9.937 1.746 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.582 9.799 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.955 10.230 1.518 1.00 0.00 H new ATOM 447 N SER A 34 4.531 9.091 7.400 1.00 0.00 N ATOM 448 CA SER A 34 4.805 7.803 8.027 1.00 0.00 C ATOM 449 C SER A 34 3.789 6.756 7.582 1.00 0.00 C ATOM 450 O SER A 34 2.581 6.952 7.711 1.00 0.00 O ATOM 451 CB SER A 34 4.780 7.938 9.551 1.00 0.00 C ATOM 452 OG SER A 34 5.753 8.867 9.996 1.00 0.00 O ATOM 0 H SER A 34 3.552 9.241 7.155 1.00 0.00 H new ATOM 0 HA SER A 34 5.797 7.478 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.790 8.260 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.964 6.966 10.009 1.00 0.00 H new ATOM 0 HG SER A 34 5.716 8.937 10.973 1.00 0.00 H new ATOM 458 N ALA A 35 4.289 5.642 7.056 1.00 0.00 N ATOM 459 CA ALA A 35 3.427 4.562 6.593 1.00 0.00 C ATOM 460 C ALA A 35 3.783 3.245 7.274 1.00 0.00 C ATOM 461 O ALA A 35 4.928 3.030 7.673 1.00 0.00 O ATOM 462 CB ALA A 35 3.524 4.421 5.081 1.00 0.00 C ATOM 0 H ALA A 35 5.287 5.464 6.940 1.00 0.00 H new ATOM 0 HA ALA A 35 2.399 4.811 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.875 3.611 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.213 5.352 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.554 4.199 4.802 1.00 0.00 H new ATOM 468 N HIS A 36 2.795 2.365 7.404 1.00 0.00 N ATOM 469 CA HIS A 36 3.005 1.068 8.037 1.00 0.00 C ATOM 470 C HIS A 36 2.029 0.031 7.489 1.00 0.00 C ATOM 471 O HIS A 36 0.853 0.325 7.271 1.00 0.00 O ATOM 472 CB HIS A 36 2.846 1.184 9.553 1.00 0.00 C ATOM 473 CG HIS A 36 3.737 2.218 10.171 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.377 3.543 10.298 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.979 2.114 10.700 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.359 4.210 10.877 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.343 3.366 11.132 1.00 0.00 N ATOM 0 H HIS A 36 1.842 2.527 7.080 1.00 0.00 H new ATOM 0 HA HIS A 36 4.020 0.741 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.808 1.425 9.784 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.057 0.216 10.007 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.573 1.214 10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.358 5.266 11.104 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.229 3.605 11.577 1.00 0.00 H new ATOM 486 N VAL A 37 2.523 -1.183 7.268 1.00 0.00 N ATOM 487 CA VAL A 37 1.694 -2.263 6.747 1.00 0.00 C ATOM 488 C VAL A 37 1.244 -3.198 7.863 1.00 0.00 C ATOM 489 O VAL A 37 2.016 -4.028 8.343 1.00 0.00 O ATOM 490 CB VAL A 37 2.445 -3.080 5.679 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.640 -4.309 5.283 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.749 -2.217 4.463 1.00 0.00 C ATOM 0 H VAL A 37 3.494 -1.443 7.442 1.00 0.00 H new ATOM 0 HA VAL A 37 0.819 -1.799 6.291 1.00 0.00 H new ATOM 0 HB VAL A 37 3.391 -3.416 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.186 -4.874 4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.479 -4.937 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.677 -3.998 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.280 -2.811 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.816 -1.849 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.369 -1.372 4.762 1.00 0.00 H new ATOM 502 N THR A 38 -0.014 -3.058 8.273 1.00 0.00 N ATOM 503 CA THR A 38 -0.568 -3.890 9.333 1.00 0.00 C ATOM 504 C THR A 38 -1.084 -5.214 8.781 1.00 0.00 C ATOM 505 O THR A 38 -1.836 -5.240 7.807 1.00 0.00 O ATOM 506 CB THR A 38 -1.716 -3.172 10.068 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.328 -1.832 10.391 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.094 -3.916 11.340 1.00 0.00 C ATOM 0 H THR A 38 -0.667 -2.376 7.887 1.00 0.00 H new ATOM 0 HA THR A 38 0.241 -4.084 10.037 1.00 0.00 H new ATOM 0 HB THR A 38 -2.583 -3.150 9.408 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.064 -1.382 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.906 -3.390 11.841 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.417 -4.926 11.088 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.230 -3.966 12.003 1.00 0.00 H new ATOM 516 N SER A 39 -0.675 -6.311 9.410 1.00 0.00 N ATOM 517 CA SER A 39 -1.093 -7.640 8.979 1.00 0.00 C ATOM 518 C SER A 39 -2.345 -8.086 9.730 1.00 0.00 C ATOM 519 O SER A 39 -2.621 -7.643 10.845 1.00 0.00 O ATOM 520 CB SER A 39 0.034 -8.650 9.200 1.00 0.00 C ATOM 521 OG SER A 39 1.134 -8.381 8.347 1.00 0.00 O ATOM 0 H SER A 39 -0.055 -6.306 10.220 1.00 0.00 H new ATOM 0 HA SER A 39 -1.325 -7.593 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.359 -8.615 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.336 -9.659 9.015 1.00 0.00 H new ATOM 0 HG SER A 39 1.752 -7.766 8.794 1.00 0.00 H new ATOM 527 N PRO A 40 -3.120 -8.984 9.105 1.00 0.00 N ATOM 528 CA PRO A 40 -4.354 -9.511 9.695 1.00 0.00 C ATOM 529 C PRO A 40 -4.084 -10.426 10.884 1.00 0.00 C ATOM 530 O PRO A 40 -5.012 -10.871 11.560 1.00 0.00 O ATOM 531 CB PRO A 40 -4.988 -10.300 8.546 1.00 0.00 C ATOM 532 CG PRO A 40 -3.843 -10.681 7.672 1.00 0.00 C ATOM 533 CD PRO A 40 -2.851 -9.555 7.775 1.00 0.00 C ATOM 0 HA PRO A 40 -4.990 -8.717 10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.516 -11.180 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.716 -9.695 8.004 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.400 -11.622 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.169 -10.821 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.825 -9.914 7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.996 -8.818 6.985 1.00 0.00 H new ATOM 541 N SER A 41 -2.808 -10.702 11.134 1.00 0.00 N ATOM 542 CA SER A 41 -2.416 -11.567 12.241 1.00 0.00 C ATOM 543 C SER A 41 -2.102 -10.746 13.488 1.00 0.00 C ATOM 544 O SER A 41 -2.011 -11.282 14.591 1.00 0.00 O ATOM 545 CB SER A 41 -1.200 -12.410 11.851 1.00 0.00 C ATOM 546 OG SER A 41 0.004 -11.693 12.060 1.00 0.00 O ATOM 0 H SER A 41 -2.028 -10.339 10.585 1.00 0.00 H new ATOM 0 HA SER A 41 -3.252 -12.230 12.465 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.187 -13.329 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.276 -12.702 10.804 1.00 0.00 H new ATOM 0 HG SER A 41 0.767 -12.253 11.805 1.00 0.00 H new ATOM 552 N GLY A 42 -1.937 -9.439 13.302 1.00 0.00 N ATOM 553 CA GLY A 42 -1.635 -8.564 14.419 1.00 0.00 C ATOM 554 C GLY A 42 -0.207 -8.056 14.388 1.00 0.00 C ATOM 555 O GLY A 42 0.320 -7.603 15.404 1.00 0.00 O ATOM 0 H GLY A 42 -2.007 -8.972 12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.319 -7.716 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.807 -9.099 15.353 1.00 0.00 H new ATOM 559 N ARG A 43 0.420 -8.132 13.219 1.00 0.00 N ATOM 560 CA ARG A 43 1.797 -7.678 13.060 1.00 0.00 C ATOM 561 C ARG A 43 1.889 -6.577 12.008 1.00 0.00 C ATOM 562 O ARG A 43 1.505 -6.771 10.855 1.00 0.00 O ATOM 563 CB ARG A 43 2.700 -8.849 12.667 1.00 0.00 C ATOM 564 CG ARG A 43 4.182 -8.516 12.709 1.00 0.00 C ATOM 565 CD ARG A 43 5.033 -9.773 12.800 1.00 0.00 C ATOM 566 NE ARG A 43 5.364 -10.307 11.481 1.00 0.00 N ATOM 567 CZ ARG A 43 6.150 -9.682 10.611 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.683 -8.507 10.920 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.404 -10.231 9.431 1.00 0.00 N ATOM 0 H ARG A 43 -0.003 -8.503 12.368 1.00 0.00 H new ATOM 0 HA ARG A 43 2.132 -7.273 14.015 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.506 -9.687 13.336 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.438 -9.177 11.661 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.455 -7.954 11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.388 -7.873 13.565 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.952 -9.550 13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.500 -10.531 13.375 1.00 0.00 H new ATOM 0 HE ARG A 43 4.970 -11.209 11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.490 -8.082 11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.286 -8.029 10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.996 -11.134 9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.008 -9.750 8.764 1.00 0.00 H new ATOM 583 N VAL A 44 2.399 -5.418 12.415 1.00 0.00 N ATOM 584 CA VAL A 44 2.542 -4.285 11.508 1.00 0.00 C ATOM 585 C VAL A 44 4.004 -3.878 11.364 1.00 0.00 C ATOM 586 O VAL A 44 4.742 -3.813 12.348 1.00 0.00 O ATOM 587 CB VAL A 44 1.727 -3.072 11.994 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.086 -2.729 13.432 1.00 0.00 C ATOM 589 CG2 VAL A 44 1.954 -1.878 11.080 1.00 0.00 C ATOM 0 H VAL A 44 2.720 -5.239 13.367 1.00 0.00 H new ATOM 0 HA VAL A 44 2.160 -4.604 10.538 1.00 0.00 H new ATOM 0 HB VAL A 44 0.669 -3.330 11.961 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.500 -1.870 13.758 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.868 -3.582 14.075 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.148 -2.490 13.495 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.371 -1.030 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.012 -1.616 11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.642 -2.131 10.067 1.00 0.00 H new ATOM 599 N THR A 45 4.417 -3.602 10.131 1.00 0.00 N ATOM 600 CA THR A 45 5.791 -3.201 9.857 1.00 0.00 C ATOM 601 C THR A 45 5.852 -1.771 9.331 1.00 0.00 C ATOM 602 O THR A 45 4.821 -1.125 9.144 1.00 0.00 O ATOM 603 CB THR A 45 6.457 -4.141 8.835 1.00 0.00 C ATOM 604 OG1 THR A 45 5.495 -4.573 7.866 1.00 0.00 O ATOM 605 CG2 THR A 45 7.065 -5.351 9.529 1.00 0.00 C ATOM 0 H THR A 45 3.819 -3.649 9.306 1.00 0.00 H new ATOM 0 HA THR A 45 6.332 -3.261 10.801 1.00 0.00 H new ATOM 0 HB THR A 45 7.254 -3.591 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.927 -5.169 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.530 -6.001 8.787 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.818 -5.020 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.283 -5.900 10.054 1.00 0.00 H new ATOM 613 N GLU A 46 7.065 -1.284 9.092 1.00 0.00 N ATOM 614 CA GLU A 46 7.259 0.070 8.587 1.00 0.00 C ATOM 615 C GLU A 46 7.448 0.064 7.073 1.00 0.00 C ATOM 616 O GLU A 46 8.270 -0.683 6.543 1.00 0.00 O ATOM 617 CB GLU A 46 8.468 0.721 9.261 1.00 0.00 C ATOM 618 CG GLU A 46 8.820 2.085 8.692 1.00 0.00 C ATOM 619 CD GLU A 46 10.194 2.561 9.123 1.00 0.00 C ATOM 620 OE1 GLU A 46 11.190 1.891 8.778 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.273 3.604 9.806 1.00 0.00 O ATOM 0 H GLU A 46 7.928 -1.807 9.240 1.00 0.00 H new ATOM 0 HA GLU A 46 6.366 0.649 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.268 0.822 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.329 0.061 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.780 2.042 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.072 2.811 9.010 1.00 0.00 H new ATOM 628 N ALA A 47 6.680 0.901 6.384 1.00 0.00 N ATOM 629 CA ALA A 47 6.764 0.994 4.931 1.00 0.00 C ATOM 630 C ALA A 47 7.732 2.093 4.506 1.00 0.00 C ATOM 631 O ALA A 47 7.914 3.081 5.216 1.00 0.00 O ATOM 632 CB ALA A 47 5.385 1.245 4.338 1.00 0.00 C ATOM 0 H ALA A 47 5.993 1.524 6.808 1.00 0.00 H new ATOM 0 HA ALA A 47 7.144 0.045 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.462 1.312 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.720 0.424 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.984 2.179 4.732 1.00 0.00 H new ATOM 638 N GLU A 48 8.351 1.912 3.344 1.00 0.00 N ATOM 639 CA GLU A 48 9.303 2.888 2.826 1.00 0.00 C ATOM 640 C GLU A 48 8.609 3.891 1.908 1.00 0.00 C ATOM 641 O GLU A 48 7.649 3.552 1.215 1.00 0.00 O ATOM 642 CB GLU A 48 10.430 2.183 2.069 1.00 0.00 C ATOM 643 CG GLU A 48 11.494 3.131 1.541 1.00 0.00 C ATOM 644 CD GLU A 48 12.711 2.401 1.005 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.275 1.566 1.742 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.098 2.666 -0.153 1.00 0.00 O ATOM 0 H GLU A 48 8.211 1.099 2.744 1.00 0.00 H new ATOM 0 HA GLU A 48 9.726 3.428 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.900 1.454 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.003 1.627 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.066 3.747 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.802 3.806 2.339 1.00 0.00 H new ATOM 653 N ILE A 49 9.101 5.125 1.910 1.00 0.00 N ATOM 654 CA ILE A 49 8.529 6.176 1.078 1.00 0.00 C ATOM 655 C ILE A 49 9.520 6.635 0.014 1.00 0.00 C ATOM 656 O ILE A 49 10.473 7.356 0.308 1.00 0.00 O ATOM 657 CB ILE A 49 8.099 7.391 1.921 1.00 0.00 C ATOM 658 CG1 ILE A 49 7.042 6.978 2.948 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.568 8.498 1.023 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.924 7.937 4.112 1.00 0.00 C ATOM 0 H ILE A 49 9.894 5.422 2.478 1.00 0.00 H new ATOM 0 HA ILE A 49 7.650 5.751 0.594 1.00 0.00 H new ATOM 0 HB ILE A 49 8.970 7.770 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.075 6.901 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.285 5.986 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.268 9.350 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.348 8.807 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.707 8.131 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.157 7.582 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.879 7.996 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.651 8.925 3.743 1.00 0.00 H new ATOM 672 N VAL A 50 9.286 6.214 -1.226 1.00 0.00 N ATOM 673 CA VAL A 50 10.156 6.584 -2.335 1.00 0.00 C ATOM 674 C VAL A 50 9.614 7.801 -3.077 1.00 0.00 C ATOM 675 O VAL A 50 8.432 7.880 -3.409 1.00 0.00 O ATOM 676 CB VAL A 50 10.321 5.421 -3.332 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.161 5.854 -4.524 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.940 4.214 -2.643 1.00 0.00 C ATOM 0 H VAL A 50 8.501 5.617 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 50 11.128 6.826 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 50 9.335 5.136 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.267 5.019 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.672 6.687 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.147 6.167 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.050 3.402 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.919 4.483 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.295 3.891 -1.826 1.00 0.00 H new ATOM 688 N PRO A 51 10.499 8.774 -3.343 1.00 0.00 N ATOM 689 CA PRO A 51 10.132 10.005 -4.049 1.00 0.00 C ATOM 690 C PRO A 51 9.814 9.758 -5.519 1.00 0.00 C ATOM 691 O PRO A 51 10.648 9.248 -6.267 1.00 0.00 O ATOM 692 CB PRO A 51 11.382 10.878 -3.912 1.00 0.00 C ATOM 693 CG PRO A 51 12.501 9.912 -3.731 1.00 0.00 C ATOM 694 CD PRO A 51 11.924 8.747 -2.975 1.00 0.00 C ATOM 0 HA PRO A 51 9.231 10.458 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.532 11.496 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.301 11.554 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.901 9.593 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.324 10.367 -3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.396 7.808 -3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.064 8.857 -1.900 1.00 0.00 H new ATOM 702 N MET A 52 8.603 10.122 -5.928 1.00 0.00 N ATOM 703 CA MET A 52 8.176 9.940 -7.310 1.00 0.00 C ATOM 704 C MET A 52 8.563 11.145 -8.162 1.00 0.00 C ATOM 705 O MET A 52 9.472 11.068 -8.987 1.00 0.00 O ATOM 706 CB MET A 52 6.663 9.720 -7.375 1.00 0.00 C ATOM 707 CG MET A 52 6.234 8.324 -6.952 1.00 0.00 C ATOM 708 SD MET A 52 4.736 7.774 -7.793 1.00 0.00 S ATOM 709 CE MET A 52 3.534 7.924 -6.474 1.00 0.00 C ATOM 0 H MET A 52 7.900 10.545 -5.322 1.00 0.00 H new ATOM 0 HA MET A 52 8.681 9.059 -7.706 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.170 10.452 -6.736 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.321 9.904 -8.393 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.041 7.621 -7.159 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.068 8.310 -5.875 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.562 8.183 -6.895 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.458 6.976 -5.941 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.849 8.705 -5.782 1.00 0.00 H new ATOM 719 N GLY A 53 7.866 12.259 -7.955 1.00 0.00 N ATOM 720 CA GLY A 53 8.152 13.464 -8.712 1.00 0.00 C ATOM 721 C GLY A 53 7.495 14.693 -8.114 1.00 0.00 C ATOM 722 O GLY A 53 8.026 15.299 -7.184 1.00 0.00 O ATOM 0 H GLY A 53 7.109 12.348 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.231 13.616 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.808 13.335 -9.738 1.00 0.00 H new ATOM 726 N LYS A 54 6.338 15.063 -8.651 1.00 0.00 N ATOM 727 CA LYS A 54 5.607 16.228 -8.167 1.00 0.00 C ATOM 728 C LYS A 54 4.596 15.829 -7.096 1.00 0.00 C ATOM 729 O LYS A 54 3.608 15.155 -7.383 1.00 0.00 O ATOM 730 CB LYS A 54 4.891 16.924 -9.326 1.00 0.00 C ATOM 731 CG LYS A 54 4.475 18.351 -9.014 1.00 0.00 C ATOM 732 CD LYS A 54 5.566 19.343 -9.382 1.00 0.00 C ATOM 733 CE LYS A 54 5.345 20.689 -8.709 1.00 0.00 C ATOM 734 NZ LYS A 54 4.476 21.582 -9.525 1.00 0.00 N ATOM 0 H LYS A 54 5.886 14.572 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 54 6.325 16.919 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.546 16.928 -10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.006 16.347 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.563 18.593 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.244 18.440 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.537 18.943 -9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.589 19.475 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.890 20.535 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.307 21.173 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.350 22.489 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.922 21.750 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.549 21.132 -9.664 1.00 0.00 H new ATOM 748 N ASN A 55 4.849 16.253 -5.862 1.00 0.00 N ATOM 749 CA ASN A 55 3.960 15.940 -4.749 1.00 0.00 C ATOM 750 C ASN A 55 3.424 14.517 -4.864 1.00 0.00 C ATOM 751 O ASN A 55 2.219 14.287 -4.769 1.00 0.00 O ATOM 752 CB ASN A 55 2.797 16.933 -4.704 1.00 0.00 C ATOM 753 CG ASN A 55 2.141 17.116 -6.059 1.00 0.00 C ATOM 754 OD1 ASN A 55 1.426 16.236 -6.539 1.00 0.00 O ATOM 755 ND2 ASN A 55 2.382 18.263 -6.683 1.00 0.00 N ATOM 0 H ASN A 55 5.662 16.814 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 55 4.533 16.019 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.053 16.585 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.159 17.897 -4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.968 18.443 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.981 18.964 -6.248 1.00 0.00 H new ATOM 762 N SER A 56 4.329 13.564 -5.068 1.00 0.00 N ATOM 763 CA SER A 56 3.948 12.163 -5.199 1.00 0.00 C ATOM 764 C SER A 56 4.844 11.273 -4.343 1.00 0.00 C ATOM 765 O SER A 56 6.040 11.531 -4.201 1.00 0.00 O ATOM 766 CB SER A 56 4.024 11.726 -6.663 1.00 0.00 C ATOM 767 OG SER A 56 2.838 12.065 -7.359 1.00 0.00 O ATOM 0 H SER A 56 5.331 13.737 -5.146 1.00 0.00 H new ATOM 0 HA SER A 56 2.921 12.058 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.879 12.201 -7.143 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.185 10.649 -6.716 1.00 0.00 H new ATOM 0 HG SER A 56 2.813 13.033 -7.510 1.00 0.00 H new ATOM 773 N HIS A 57 4.258 10.225 -3.774 1.00 0.00 N ATOM 774 CA HIS A 57 5.003 9.296 -2.932 1.00 0.00 C ATOM 775 C HIS A 57 4.669 7.851 -3.290 1.00 0.00 C ATOM 776 O HIS A 57 3.546 7.544 -3.692 1.00 0.00 O ATOM 777 CB HIS A 57 4.694 9.552 -1.457 1.00 0.00 C ATOM 778 CG HIS A 57 4.363 10.981 -1.153 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.317 11.972 -1.063 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.173 11.583 -0.920 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.729 13.122 -0.786 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.428 12.914 -0.695 1.00 0.00 N ATOM 0 H HIS A 57 3.269 9.998 -3.881 1.00 0.00 H new ATOM 0 HA HIS A 57 6.067 9.459 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.857 8.922 -1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.553 9.251 -0.857 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.320 11.838 -1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.204 11.106 -0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.228 14.071 -0.656 1.00 0.00 H new ATOM 791 N CYS A 58 5.651 6.968 -3.143 1.00 0.00 N ATOM 792 CA CYS A 58 5.462 5.555 -3.453 1.00 0.00 C ATOM 793 C CYS A 58 5.782 4.686 -2.242 1.00 0.00 C ATOM 794 O CYS A 58 6.905 4.694 -1.737 1.00 0.00 O ATOM 795 CB CYS A 58 6.343 5.149 -4.635 1.00 0.00 C ATOM 796 SG CYS A 58 6.479 3.362 -4.873 1.00 0.00 S ATOM 0 H CYS A 58 6.586 7.206 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 58 4.416 5.403 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.942 5.597 -5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.341 5.563 -4.490 1.00 0.00 H new ATOM 0 HG CYS A 58 7.242 3.117 -5.897 1.00 0.00 H new ATOM 802 N VAL A 59 4.786 3.937 -1.778 1.00 0.00 N ATOM 803 CA VAL A 59 4.961 3.062 -0.625 1.00 0.00 C ATOM 804 C VAL A 59 5.290 1.638 -1.060 1.00 0.00 C ATOM 805 O VAL A 59 4.399 0.863 -1.409 1.00 0.00 O ATOM 806 CB VAL A 59 3.699 3.038 0.258 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.894 2.105 1.444 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.350 4.443 0.727 1.00 0.00 C ATOM 0 H VAL A 59 3.850 3.919 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 59 5.793 3.464 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 59 2.868 2.661 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.992 2.101 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.092 1.095 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.737 2.449 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.456 4.407 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.179 4.850 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.165 5.080 -0.138 1.00 0.00 H new ATOM 818 N ARG A 60 6.575 1.301 -1.037 1.00 0.00 N ATOM 819 CA ARG A 60 7.023 -0.030 -1.430 1.00 0.00 C ATOM 820 C ARG A 60 6.923 -1.005 -0.260 1.00 0.00 C ATOM 821 O ARG A 60 7.461 -0.753 0.819 1.00 0.00 O ATOM 822 CB ARG A 60 8.463 0.024 -1.942 1.00 0.00 C ATOM 823 CG ARG A 60 8.763 -0.999 -3.025 1.00 0.00 C ATOM 824 CD ARG A 60 10.259 -1.140 -3.259 1.00 0.00 C ATOM 825 NE ARG A 60 10.869 -2.099 -2.342 1.00 0.00 N ATOM 826 CZ ARG A 60 12.077 -2.622 -2.523 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.800 -2.280 -3.580 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.564 -3.489 -1.644 1.00 0.00 N ATOM 0 H ARG A 60 7.324 1.931 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 60 6.373 -0.383 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.664 1.022 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.143 -0.135 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.346 -1.965 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.275 -0.702 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.437 -1.458 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.738 -0.168 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 60 10.339 -2.383 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.429 -1.613 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.727 -2.683 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.011 -3.754 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.491 -3.890 -1.783 1.00 0.00 H new ATOM 842 N PHE A 61 6.232 -2.118 -0.481 1.00 0.00 N ATOM 843 CA PHE A 61 6.060 -3.130 0.555 1.00 0.00 C ATOM 844 C PHE A 61 5.753 -4.492 -0.061 1.00 0.00 C ATOM 845 O PHE A 61 5.442 -4.593 -1.248 1.00 0.00 O ATOM 846 CB PHE A 61 4.937 -2.725 1.512 1.00 0.00 C ATOM 847 CG PHE A 61 3.563 -2.892 0.928 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.973 -4.144 0.859 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.862 -1.798 0.448 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.708 -4.301 0.323 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.597 -1.949 -0.088 1.00 0.00 C ATOM 852 CZ PHE A 61 1.020 -3.202 -0.152 1.00 0.00 C ATOM 0 H PHE A 61 5.782 -2.342 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 61 6.993 -3.205 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.012 -3.322 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.076 -1.684 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.507 -5.007 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.309 -0.816 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.259 -5.282 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.060 -1.087 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.033 -3.322 -0.573 1.00 0.00 H new ATOM 862 N VAL A 62 5.844 -5.537 0.755 1.00 0.00 N ATOM 863 CA VAL A 62 5.576 -6.894 0.292 1.00 0.00 C ATOM 864 C VAL A 62 4.462 -7.542 1.106 1.00 0.00 C ATOM 865 O VAL A 62 4.636 -7.894 2.273 1.00 0.00 O ATOM 866 CB VAL A 62 6.836 -7.774 0.374 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.577 -9.137 -0.250 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.012 -7.085 -0.301 1.00 0.00 C ATOM 0 H VAL A 62 6.101 -5.470 1.740 1.00 0.00 H new ATOM 0 HA VAL A 62 5.263 -6.817 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 62 7.086 -7.923 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.479 -9.745 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.765 -9.632 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.301 -9.011 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.894 -7.722 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.775 -6.904 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.211 -6.135 0.195 1.00 0.00 H new ATOM 878 N PRO A 63 3.288 -7.705 0.478 1.00 0.00 N ATOM 879 CA PRO A 63 2.122 -8.313 1.126 1.00 0.00 C ATOM 880 C PRO A 63 2.308 -9.806 1.372 1.00 0.00 C ATOM 881 O PRO A 63 3.374 -10.360 1.103 1.00 0.00 O ATOM 882 CB PRO A 63 0.993 -8.074 0.120 1.00 0.00 C ATOM 883 CG PRO A 63 1.678 -7.950 -1.197 1.00 0.00 C ATOM 884 CD PRO A 63 3.008 -7.308 -0.912 1.00 0.00 C ATOM 0 HA PRO A 63 1.933 -7.884 2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.282 -8.900 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.433 -7.171 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.808 -8.927 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.091 -7.343 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.780 -7.663 -1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.962 -6.224 -1.019 1.00 0.00 H new ATOM 892 N GLN A 64 1.266 -10.452 1.884 1.00 0.00 N ATOM 893 CA GLN A 64 1.316 -11.882 2.166 1.00 0.00 C ATOM 894 C GLN A 64 0.293 -12.639 1.326 1.00 0.00 C ATOM 895 O GLN A 64 -0.526 -12.034 0.635 1.00 0.00 O ATOM 896 CB GLN A 64 1.064 -12.139 3.653 1.00 0.00 C ATOM 897 CG GLN A 64 2.256 -11.812 4.538 1.00 0.00 C ATOM 898 CD GLN A 64 3.481 -12.635 4.193 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.617 -13.780 4.625 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.383 -12.054 3.410 1.00 0.00 N ATOM 0 H GLN A 64 0.376 -10.008 2.112 1.00 0.00 H new ATOM 0 HA GLN A 64 2.311 -12.243 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.209 -11.545 3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.796 -13.186 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.495 -10.753 4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.988 -11.985 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.230 -11.103 3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.229 -12.559 3.144 1.00 0.00 H new ATOM 909 N GLU A 65 0.348 -13.966 1.391 1.00 0.00 N ATOM 910 CA GLU A 65 -0.574 -14.805 0.634 1.00 0.00 C ATOM 911 C GLU A 65 -1.893 -14.975 1.382 1.00 0.00 C ATOM 912 O GLU A 65 -1.910 -15.339 2.557 1.00 0.00 O ATOM 913 CB GLU A 65 0.053 -16.175 0.364 1.00 0.00 C ATOM 914 CG GLU A 65 -0.006 -17.116 1.556 1.00 0.00 C ATOM 915 CD GLU A 65 0.958 -18.279 1.428 1.00 0.00 C ATOM 916 OE1 GLU A 65 0.568 -19.313 0.847 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.104 -18.155 1.910 1.00 0.00 O ATOM 0 H GLU A 65 1.020 -14.482 1.959 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.777 -14.313 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.457 -16.639 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.094 -16.038 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.221 -16.559 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.021 -17.500 1.662 1.00 0.00 H new ATOM 924 N MET A 66 -2.997 -14.709 0.691 1.00 0.00 N ATOM 925 CA MET A 66 -4.321 -14.834 1.289 1.00 0.00 C ATOM 926 C MET A 66 -4.392 -14.081 2.613 1.00 0.00 C ATOM 927 O MET A 66 -4.817 -14.630 3.629 1.00 0.00 O ATOM 928 CB MET A 66 -4.669 -16.307 1.507 1.00 0.00 C ATOM 929 CG MET A 66 -4.072 -17.234 0.461 1.00 0.00 C ATOM 930 SD MET A 66 -4.742 -16.945 -1.188 1.00 0.00 S ATOM 931 CE MET A 66 -3.275 -16.400 -2.059 1.00 0.00 C ATOM 0 H MET A 66 -3.001 -14.406 -0.283 1.00 0.00 H new ATOM 0 HA MET A 66 -5.045 -14.396 0.603 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.319 -16.612 2.493 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.753 -16.420 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.990 -17.100 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.259 -18.268 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.481 -15.456 -2.564 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.461 -16.260 -1.348 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.989 -17.151 -2.795 1.00 0.00 H new ATOM 941 N GLY A 67 -3.972 -12.819 2.596 1.00 0.00 N ATOM 942 CA GLY A 67 -3.997 -12.012 3.802 1.00 0.00 C ATOM 943 C GLY A 67 -4.322 -10.559 3.520 1.00 0.00 C ATOM 944 O GLY A 67 -3.729 -9.942 2.635 1.00 0.00 O ATOM 0 H GLY A 67 -3.615 -12.342 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.736 -12.419 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.028 -12.075 4.298 1.00 0.00 H new ATOM 948 N VAL A 68 -5.269 -10.009 4.274 1.00 0.00 N ATOM 949 CA VAL A 68 -5.673 -8.619 4.101 1.00 0.00 C ATOM 950 C VAL A 68 -4.899 -7.701 5.040 1.00 0.00 C ATOM 951 O VAL A 68 -4.996 -7.819 6.262 1.00 0.00 O ATOM 952 CB VAL A 68 -7.182 -8.438 4.352 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.656 -7.098 3.810 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.966 -9.582 3.729 1.00 0.00 C ATOM 0 H VAL A 68 -5.771 -10.505 5.011 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.449 -8.350 3.069 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.358 -8.451 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.724 -6.988 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.116 -6.293 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.468 -7.052 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.030 -9.438 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.786 -9.604 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.645 -10.526 4.170 1.00 0.00 H new ATOM 964 N HIS A 69 -4.129 -6.784 4.461 1.00 0.00 N ATOM 965 CA HIS A 69 -3.338 -5.844 5.247 1.00 0.00 C ATOM 966 C HIS A 69 -3.979 -4.459 5.243 1.00 0.00 C ATOM 967 O HIS A 69 -4.943 -4.211 4.518 1.00 0.00 O ATOM 968 CB HIS A 69 -1.914 -5.760 4.698 1.00 0.00 C ATOM 969 CG HIS A 69 -1.297 -7.098 4.428 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.903 -8.064 3.653 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.119 -7.628 4.833 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.126 -9.131 3.595 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.037 -8.892 4.302 1.00 0.00 N ATOM 0 H HIS A 69 -4.036 -6.672 3.451 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.303 -6.207 6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.923 -5.180 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.290 -5.218 5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.619 -7.147 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.345 -10.043 3.060 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.739 -9.541 4.433 1.00 0.00 H new ATOM 982 N THR A 70 -3.438 -3.559 6.059 1.00 0.00 N ATOM 983 CA THR A 70 -3.958 -2.201 6.151 1.00 0.00 C ATOM 984 C THR A 70 -2.827 -1.179 6.153 1.00 0.00 C ATOM 985 O THR A 70 -1.838 -1.333 6.870 1.00 0.00 O ATOM 986 CB THR A 70 -4.810 -2.010 7.420 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.597 -3.182 7.662 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.721 -0.800 7.284 1.00 0.00 C ATOM 0 H THR A 70 -2.640 -3.747 6.666 1.00 0.00 H new ATOM 0 HA THR A 70 -4.586 -2.043 5.274 1.00 0.00 H new ATOM 0 HB THR A 70 -4.137 -1.844 8.261 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.135 -3.054 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.312 -0.686 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.117 0.094 7.129 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.387 -0.940 6.433 1.00 0.00 H new ATOM 996 N VAL A 71 -2.980 -0.132 5.348 1.00 0.00 N ATOM 997 CA VAL A 71 -1.972 0.917 5.258 1.00 0.00 C ATOM 998 C VAL A 71 -2.372 2.135 6.084 1.00 0.00 C ATOM 999 O VAL A 71 -3.256 2.898 5.696 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.743 1.353 3.799 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.591 2.342 3.711 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.486 0.142 2.916 1.00 0.00 C ATOM 0 H VAL A 71 -3.793 0.012 4.749 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.046 0.500 5.654 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.644 1.850 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.444 2.638 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.821 3.223 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.319 1.875 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.326 0.468 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.601 -0.386 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.347 -0.526 2.955 1.00 0.00 H new ATOM 1012 N SER A 72 -1.714 2.311 7.226 1.00 0.00 N ATOM 1013 CA SER A 72 -2.002 3.434 8.109 1.00 0.00 C ATOM 1014 C SER A 72 -1.102 4.623 7.788 1.00 0.00 C ATOM 1015 O SER A 72 0.057 4.669 8.200 1.00 0.00 O ATOM 1016 CB SER A 72 -1.818 3.021 9.571 1.00 0.00 C ATOM 1017 OG SER A 72 -2.677 1.946 9.909 1.00 0.00 O ATOM 0 H SER A 72 -0.978 1.690 7.561 1.00 0.00 H new ATOM 0 HA SER A 72 -3.038 3.732 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.782 2.730 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.022 3.872 10.221 1.00 0.00 H new ATOM 0 HG SER A 72 -2.539 1.700 10.847 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.645 5.585 7.048 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.893 6.776 6.671 1.00 0.00 C ATOM 1025 C VAL A 73 -1.320 7.981 7.500 1.00 0.00 C ATOM 1026 O VAL A 73 -2.389 8.552 7.282 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.074 7.104 5.177 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.272 8.341 4.801 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.670 5.916 4.318 1.00 0.00 C ATOM 0 H VAL A 73 -2.603 5.563 6.698 1.00 0.00 H new ATOM 0 HA VAL A 73 0.158 6.561 6.864 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.128 7.314 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.412 8.557 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.614 9.190 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.785 8.163 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.804 6.166 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.376 5.673 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.292 5.057 4.569 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.478 8.366 8.453 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.766 9.505 9.316 1.00 0.00 C ATOM 1041 C LYS A 74 0.243 10.627 9.090 1.00 0.00 C ATOM 1042 O LYS A 74 1.367 10.385 8.650 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.748 9.076 10.785 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.097 8.604 11.297 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.242 8.843 12.791 1.00 0.00 C ATOM 1046 CE LYS A 74 -1.100 8.207 13.570 1.00 0.00 C ATOM 1047 NZ LYS A 74 -1.417 6.812 13.980 1.00 0.00 N ATOM 0 H LYS A 74 0.411 7.905 8.647 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.759 9.877 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.020 8.275 10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.410 9.913 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.892 9.127 10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.216 7.542 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.266 9.915 12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.192 8.434 13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.198 8.209 12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.887 8.806 14.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.614 6.414 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.263 6.812 14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.596 6.234 13.134 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.166 11.854 9.396 1.00 0.00 N ATOM 1062 CA TYR A 75 0.702 13.013 9.226 1.00 0.00 C ATOM 1063 C TYR A 75 0.612 13.943 10.432 1.00 0.00 C ATOM 1064 O TYR A 75 -0.403 14.607 10.643 1.00 0.00 O ATOM 1065 CB TYR A 75 0.328 13.773 7.952 1.00 0.00 C ATOM 1066 CG TYR A 75 1.045 15.096 7.804 1.00 0.00 C ATOM 1067 CD1 TYR A 75 2.407 15.144 7.533 1.00 0.00 C ATOM 1068 CD2 TYR A 75 0.361 16.298 7.937 1.00 0.00 C ATOM 1069 CE1 TYR A 75 3.067 16.350 7.398 1.00 0.00 C ATOM 1070 CE2 TYR A 75 1.012 17.509 7.802 1.00 0.00 C ATOM 1071 CZ TYR A 75 2.365 17.530 7.533 1.00 0.00 C ATOM 1072 OH TYR A 75 3.018 18.734 7.399 1.00 0.00 O ATOM 0 H TYR A 75 -1.093 12.071 9.763 1.00 0.00 H new ATOM 0 HA TYR A 75 1.729 12.657 9.141 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.553 13.149 7.087 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.748 13.950 7.947 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.959 14.222 7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.698 16.285 8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.126 16.369 7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.465 18.434 7.906 1.00 0.00 H new ATOM 0 HH TYR A 75 2.380 19.468 7.522 1.00 0.00 H new ATOM 1082 N ARG A 76 1.681 13.985 11.219 1.00 0.00 N ATOM 1083 CA ARG A 76 1.724 14.833 12.405 1.00 0.00 C ATOM 1084 C ARG A 76 0.631 14.439 13.394 1.00 0.00 C ATOM 1085 O ARG A 76 0.154 15.267 14.169 1.00 0.00 O ATOM 1086 CB ARG A 76 1.566 16.303 12.013 1.00 0.00 C ATOM 1087 CG ARG A 76 2.884 16.999 11.715 1.00 0.00 C ATOM 1088 CD ARG A 76 2.758 18.509 11.842 1.00 0.00 C ATOM 1089 NE ARG A 76 2.526 18.925 13.222 1.00 0.00 N ATOM 1090 CZ ARG A 76 2.385 20.193 13.594 1.00 0.00 C ATOM 1091 NH1 ARG A 76 2.453 21.163 12.693 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.176 20.492 14.870 1.00 0.00 N ATOM 0 H ARG A 76 2.529 13.442 11.058 1.00 0.00 H new ATOM 0 HA ARG A 76 2.693 14.694 12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.923 16.369 11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.059 16.833 12.820 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.651 16.638 12.401 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.212 16.744 10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.667 18.981 11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.937 18.858 11.215 1.00 0.00 H new ATOM 0 HE ARG A 76 2.469 18.203 13.940 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.614 20.937 11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.344 22.135 12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.123 19.748 15.566 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.068 21.466 15.155 1.00 0.00 H new ATOM 1106 N GLY A 77 0.239 13.169 13.361 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.794 12.688 14.259 1.00 0.00 C ATOM 1108 C GLY A 77 -2.188 12.886 13.697 1.00 0.00 C ATOM 1109 O GLY A 77 -3.117 13.224 14.431 1.00 0.00 O ATOM 0 H GLY A 77 0.619 12.465 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.633 11.629 14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.713 13.208 15.213 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.334 12.677 12.393 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.625 12.838 11.734 1.00 0.00 C ATOM 1115 C GLN A 78 -3.735 11.920 10.521 1.00 0.00 C ATOM 1116 O GLN A 78 -2.873 11.930 9.641 1.00 0.00 O ATOM 1117 CB GLN A 78 -3.826 14.293 11.307 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.308 14.594 9.910 1.00 0.00 C ATOM 1119 CD GLN A 78 -3.099 16.076 9.671 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -2.617 16.796 10.547 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -3.461 16.542 8.482 1.00 0.00 N ATOM 0 H GLN A 78 -1.575 12.396 11.772 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.404 12.565 12.446 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.888 14.532 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.323 14.945 12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.366 14.069 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.013 14.207 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.856 15.910 7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.344 17.532 8.265 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.800 11.125 10.481 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.022 10.200 9.375 1.00 0.00 C ATOM 1132 C HIS A 79 -5.514 10.943 8.136 1.00 0.00 C ATOM 1133 O HIS A 79 -6.567 11.580 8.159 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.035 9.127 9.776 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.422 7.962 10.489 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.945 6.846 9.834 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.208 7.743 11.807 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.465 5.990 10.719 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -4.613 6.511 11.924 1.00 0.00 N ATOM 0 H HIS A 79 -5.522 11.103 11.201 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.072 9.722 9.137 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.794 9.576 10.417 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.545 8.768 8.882 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.459 8.413 12.616 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.027 5.029 10.495 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.331 6.070 12.799 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.744 10.857 7.056 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.100 11.520 5.808 1.00 0.00 C ATOM 1150 C VAL A 80 -6.453 11.038 5.296 1.00 0.00 C ATOM 1151 O VAL A 80 -6.956 9.997 5.722 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.037 11.280 4.720 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.688 11.827 5.162 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.938 9.798 4.391 1.00 0.00 C ATOM 0 H VAL A 80 -3.869 10.334 7.021 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.154 12.587 6.022 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.339 11.810 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.949 11.648 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.772 12.898 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.375 11.327 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.182 9.646 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.659 9.244 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.902 9.440 4.029 1.00 0.00 H new ATOM 1164 N THR A 81 -7.039 11.801 4.379 1.00 0.00 N ATOM 1165 CA THR A 81 -8.334 11.452 3.808 1.00 0.00 C ATOM 1166 C THR A 81 -8.284 10.091 3.122 1.00 0.00 C ATOM 1167 O THR A 81 -7.458 9.860 2.241 1.00 0.00 O ATOM 1168 CB THR A 81 -8.804 12.509 2.792 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.947 13.780 3.438 1.00 0.00 O ATOM 1170 CG2 THR A 81 -10.127 12.104 2.161 1.00 0.00 C ATOM 0 H THR A 81 -6.637 12.665 4.016 1.00 0.00 H new ATOM 0 HA THR A 81 -9.043 11.413 4.635 1.00 0.00 H new ATOM 0 HB THR A 81 -8.053 12.583 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.245 14.447 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.438 12.867 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.008 11.151 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.885 12.004 2.938 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.175 9.193 3.533 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.216 7.867 2.946 1.00 0.00 C ATOM 1180 C GLY A 82 -8.526 6.829 3.810 1.00 0.00 C ATOM 1181 O GLY A 82 -8.999 5.699 3.932 1.00 0.00 O ATOM 0 H GLY A 82 -9.869 9.361 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.254 7.574 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.741 7.892 1.965 1.00 0.00 H new ATOM 1185 N SER A 83 -7.404 7.213 4.411 1.00 0.00 N ATOM 1186 CA SER A 83 -6.645 6.306 5.264 1.00 0.00 C ATOM 1187 C SER A 83 -7.362 6.082 6.593 1.00 0.00 C ATOM 1188 O SER A 83 -8.116 6.930 7.071 1.00 0.00 O ATOM 1189 CB SER A 83 -5.243 6.863 5.516 1.00 0.00 C ATOM 1190 OG SER A 83 -5.228 7.716 6.648 1.00 0.00 O ATOM 0 H SER A 83 -7.001 8.146 4.323 1.00 0.00 H new ATOM 0 HA SER A 83 -6.561 5.348 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.544 6.041 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.904 7.413 4.638 1.00 0.00 H new ATOM 0 HG SER A 83 -5.768 8.513 6.464 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.123 4.912 7.203 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.228 3.895 6.642 1.00 0.00 C ATOM 1198 C PRO A 84 -6.808 3.237 5.394 1.00 0.00 C ATOM 1199 O PRO A 84 -8.025 3.186 5.216 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.099 2.873 7.774 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.345 3.034 8.575 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.707 4.491 8.487 1.00 0.00 C ATOM 0 HA PRO A 84 -5.277 4.321 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.008 1.859 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.212 3.062 8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.146 2.408 8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.185 2.733 9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.787 4.638 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.294 5.058 9.321 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.929 2.735 4.533 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.354 2.080 3.302 1.00 0.00 C ATOM 1212 C PHE A 85 -6.210 0.565 3.413 1.00 0.00 C ATOM 1213 O PHE A 85 -5.103 0.046 3.554 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.536 2.596 2.116 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.561 4.092 1.976 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.574 4.717 1.267 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.572 4.871 2.554 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.598 6.093 1.136 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.592 6.248 2.427 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.607 6.859 1.718 1.00 0.00 C ATOM 0 H PHE A 85 -4.918 2.769 4.665 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.406 2.316 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.503 2.267 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.917 2.147 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.353 4.123 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.776 4.398 3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.391 6.569 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.815 6.844 2.882 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.626 7.934 1.619 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.337 -0.137 3.348 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.336 -1.592 3.443 1.00 0.00 C ATOM 1232 C GLN A 86 -7.364 -2.228 2.057 1.00 0.00 C ATOM 1233 O GLN A 86 -8.136 -1.818 1.190 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.536 -2.071 4.261 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.391 -3.494 4.777 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.724 -4.127 5.125 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.435 -4.626 4.252 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.071 -4.110 6.407 1.00 0.00 N ATOM 0 H GLN A 86 -8.261 0.278 3.230 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.418 -1.898 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.680 -1.399 5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.434 -2.006 3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.891 -4.101 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.752 -3.493 5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.451 -3.686 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.957 -4.521 6.701 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.515 -3.230 1.854 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.442 -3.922 0.573 1.00 0.00 C ATOM 1249 C PHE A 87 -6.216 -5.418 0.774 1.00 0.00 C ATOM 1250 O PHE A 87 -5.439 -5.830 1.636 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.317 -3.336 -0.283 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.943 -3.698 0.202 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.384 -4.926 -0.113 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.210 -2.811 0.974 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.120 -5.262 0.333 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.945 -3.141 1.422 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.399 -4.368 1.101 1.00 0.00 C ATOM 0 H PHE A 87 -5.868 -3.581 2.560 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.393 -3.782 0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.434 -3.683 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.413 -2.250 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.942 -5.628 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.632 -1.850 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.696 -6.223 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.384 -2.440 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.410 -4.628 1.450 1.00 0.00 H new ATOM 1267 N THR A 88 -6.901 -6.227 -0.028 1.00 0.00 N ATOM 1268 CA THR A 88 -6.778 -7.676 0.062 1.00 0.00 C ATOM 1269 C THR A 88 -5.818 -8.213 -0.993 1.00 0.00 C ATOM 1270 O THR A 88 -5.844 -7.783 -2.146 1.00 0.00 O ATOM 1271 CB THR A 88 -8.144 -8.368 -0.103 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.078 -7.843 0.847 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.015 -9.872 0.083 1.00 0.00 C ATOM 0 H THR A 88 -7.547 -5.903 -0.748 1.00 0.00 H new ATOM 0 HA THR A 88 -6.385 -7.898 1.054 1.00 0.00 H new ATOM 0 HB THR A 88 -8.505 -8.172 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.944 -8.287 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.993 -10.339 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.327 -10.273 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.633 -10.084 1.082 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.971 -9.156 -0.591 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.003 -9.753 -1.504 1.00 0.00 C ATOM 1283 C VAL A 89 -4.576 -10.996 -2.176 1.00 0.00 C ATOM 1284 O VAL A 89 -5.269 -11.792 -1.544 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.702 -10.131 -0.772 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.597 -10.438 -1.772 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.281 -9.019 0.176 1.00 0.00 C ATOM 0 H VAL A 89 -4.936 -9.523 0.360 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.779 -9.004 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.885 -11.029 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.685 -10.703 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.901 -11.271 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.412 -9.560 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.360 -9.304 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.115 -8.102 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.066 -8.853 0.914 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.280 -11.156 -3.462 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.773 -12.305 -4.199 1.00 0.00 C ATOM 1299 C GLY A 90 -3.668 -13.274 -4.570 1.00 0.00 C ATOM 1300 O GLY A 90 -2.608 -13.309 -3.944 1.00 0.00 O ATOM 0 H GLY A 90 -3.708 -10.511 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.521 -12.824 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.272 -11.964 -5.106 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.911 -14.085 -5.610 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.940 -15.074 -6.086 1.00 0.00 C ATOM 1306 C PRO A 91 -1.728 -14.426 -6.748 1.00 0.00 C ATOM 1307 O PRO A 91 -1.862 -13.457 -7.497 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.736 -15.889 -7.108 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.804 -14.964 -7.581 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.152 -14.097 -6.403 1.00 0.00 C ATOM 0 HA PRO A 91 -2.532 -15.670 -5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.103 -16.217 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.160 -16.785 -6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.455 -14.361 -8.420 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.676 -15.519 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.440 -13.093 -6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.988 -14.507 -5.835 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.548 -14.967 -6.468 1.00 0.00 N ATOM 1319 CA LEU A 92 0.688 -14.441 -7.038 1.00 0.00 C ATOM 1320 C LEU A 92 0.577 -14.311 -8.553 1.00 0.00 C ATOM 1321 O LEU A 92 1.297 -13.529 -9.173 1.00 0.00 O ATOM 1322 CB LEU A 92 1.865 -15.350 -6.678 1.00 0.00 C ATOM 1323 CG LEU A 92 2.058 -16.581 -7.563 1.00 0.00 C ATOM 1324 CD1 LEU A 92 2.919 -16.241 -8.770 1.00 0.00 C ATOM 1325 CD2 LEU A 92 2.680 -17.719 -6.766 1.00 0.00 C ATOM 0 H LEU A 92 -0.420 -15.769 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 92 0.860 -13.450 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.779 -14.757 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.738 -15.684 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 92 1.080 -16.905 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.046 -17.130 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.434 -15.458 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.895 -15.891 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.810 -18.587 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.650 -17.405 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.026 -17.981 -5.934 1.00 0.00 H new