USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=25 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 74 LYS NZ :NH3+ -113:sc= 0.519 (180deg=0) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -1.73! K(o=-0.87!,f=-2.3) USER MOD Set 1.3: A 83 SER OG : rot -62:sc= 0.337 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -2.05! X(o=-2!,f=-2.1) USER MOD Set 3.1: A 38 THR OG1 : rot -170:sc= 0.151 USER MOD Set 3.2: A 72 SER OG : rot 97:sc= 0.16 USER MOD Set 4.1: A 33 MET CE :methyl 155:sc= -0.473 (180deg=-1.63) USER MOD Set 4.2: A 57 HIS : no HD1:sc= -3.86! C(o=-4.3!,f=-5.1!) 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 -128:sc= -0.438 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0274 (180deg=-0.257) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.106 USER MOD Single : A 36 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.53) 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 -151:sc=-0.000456 (180deg=-0.0591) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.41) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 64 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.29) USER MOD Single : A 66 MET CE :methyl -113:sc= -1.31 (180deg=-3.51!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 75 TYR OH : rot 165:sc= 0.191 USER MOD Single : A 78 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0283 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.420 -5.448 -5.305 1.00 0.00 N ATOM 142 CA ALA A 13 -2.115 -5.837 -4.787 1.00 0.00 C ATOM 143 C ALA A 13 -1.782 -7.277 -5.162 1.00 0.00 C ATOM 144 O ALA A 13 -2.674 -8.084 -5.425 1.00 0.00 O ATOM 145 CB ALA A 13 -2.072 -5.659 -3.276 1.00 0.00 C ATOM 0 HA ALA A 13 -1.364 -5.189 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.091 -5.953 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.256 -4.614 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.838 -6.282 -2.814 1.00 0.00 H new ATOM 151 N THR A 14 -0.491 -7.594 -5.186 1.00 0.00 N ATOM 152 CA THR A 14 -0.040 -8.937 -5.530 1.00 0.00 C ATOM 153 C THR A 14 0.694 -9.587 -4.363 1.00 0.00 C ATOM 154 O THR A 14 1.331 -8.905 -3.560 1.00 0.00 O ATOM 155 CB THR A 14 0.888 -8.919 -6.760 1.00 0.00 C ATOM 156 OG1 THR A 14 0.243 -8.253 -7.851 1.00 0.00 O ATOM 157 CG2 THR A 14 1.264 -10.334 -7.174 1.00 0.00 C ATOM 0 H THR A 14 0.261 -6.939 -4.971 1.00 0.00 H new ATOM 0 HA THR A 14 -0.931 -9.520 -5.764 1.00 0.00 H new ATOM 0 HB THR A 14 1.798 -8.381 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.840 -8.244 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.919 -10.296 -8.044 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.781 -10.829 -6.352 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.362 -10.892 -7.423 1.00 0.00 H new ATOM 165 N VAL A 15 0.601 -10.910 -4.275 1.00 0.00 N ATOM 166 CA VAL A 15 1.257 -11.653 -3.206 1.00 0.00 C ATOM 167 C VAL A 15 2.732 -11.878 -3.519 1.00 0.00 C ATOM 168 O VAL A 15 3.091 -12.254 -4.635 1.00 0.00 O ATOM 169 CB VAL A 15 0.580 -13.016 -2.972 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.667 -13.878 -4.222 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.208 -13.725 -1.781 1.00 0.00 C ATOM 0 H VAL A 15 0.078 -11.489 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 15 1.168 -11.051 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.474 -12.845 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.183 -14.837 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.167 -13.373 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.714 -14.043 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.717 -14.687 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.269 -13.885 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.088 -13.112 -0.888 1.00 0.00 H new ATOM 181 N GLY A 16 3.585 -11.646 -2.526 1.00 0.00 N ATOM 182 CA GLY A 16 5.012 -11.829 -2.715 1.00 0.00 C ATOM 183 C GLY A 16 5.652 -10.671 -3.455 1.00 0.00 C ATOM 184 O GLY A 16 6.734 -10.213 -3.088 1.00 0.00 O ATOM 0 H GLY A 16 3.313 -11.334 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.492 -11.945 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.187 -12.751 -3.269 1.00 0.00 H new ATOM 188 N SER A 17 4.983 -10.198 -4.502 1.00 0.00 N ATOM 189 CA SER A 17 5.496 -9.090 -5.299 1.00 0.00 C ATOM 190 C SER A 17 5.316 -7.764 -4.566 1.00 0.00 C ATOM 191 O SER A 17 4.489 -7.650 -3.661 1.00 0.00 O ATOM 192 CB SER A 17 4.786 -9.037 -6.653 1.00 0.00 C ATOM 193 OG SER A 17 5.566 -8.343 -7.611 1.00 0.00 O ATOM 0 H SER A 17 4.085 -10.565 -4.818 1.00 0.00 H new ATOM 0 HA SER A 17 6.561 -9.254 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.590 -10.050 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.820 -8.546 -6.541 1.00 0.00 H new ATOM 0 HG SER A 17 5.091 -8.325 -8.468 1.00 0.00 H new ATOM 199 N ILE A 18 6.095 -6.764 -4.964 1.00 0.00 N ATOM 200 CA ILE A 18 6.022 -5.446 -4.347 1.00 0.00 C ATOM 201 C ILE A 18 4.671 -4.789 -4.612 1.00 0.00 C ATOM 202 O ILE A 18 4.078 -4.973 -5.676 1.00 0.00 O ATOM 203 CB ILE A 18 7.140 -4.520 -4.861 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.512 -5.141 -4.588 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.034 -3.149 -4.210 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.818 -5.305 -3.116 1.00 0.00 C ATOM 0 H ILE A 18 6.784 -6.842 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 18 6.148 -5.593 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 18 7.025 -4.399 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.564 -6.116 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.281 -4.518 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.831 -2.506 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.068 -2.706 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.127 -3.251 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.806 -5.751 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.799 -4.330 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.070 -5.953 -2.659 1.00 0.00 H new ATOM 218 N CYS A 19 4.192 -4.022 -3.639 1.00 0.00 N ATOM 219 CA CYS A 19 2.911 -3.337 -3.767 1.00 0.00 C ATOM 220 C CYS A 19 3.104 -1.824 -3.790 1.00 0.00 C ATOM 221 O CYS A 19 3.234 -1.189 -2.744 1.00 0.00 O ATOM 222 CB CYS A 19 1.982 -3.727 -2.617 1.00 0.00 C ATOM 223 SG CYS A 19 0.347 -2.960 -2.695 1.00 0.00 S ATOM 0 H CYS A 19 4.671 -3.859 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 19 2.457 -3.642 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.863 -4.810 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.455 -3.454 -1.674 1.00 0.00 H new ATOM 0 HG CYS A 19 0.080 -2.390 -1.557 1.00 0.00 H new ATOM 229 N ASP A 20 3.123 -1.253 -4.990 1.00 0.00 N ATOM 230 CA ASP A 20 3.301 0.185 -5.149 1.00 0.00 C ATOM 231 C ASP A 20 1.991 0.926 -4.903 1.00 0.00 C ATOM 232 O ASP A 20 1.003 0.713 -5.608 1.00 0.00 O ATOM 233 CB ASP A 20 3.826 0.503 -6.551 1.00 0.00 C ATOM 234 CG ASP A 20 4.994 -0.379 -6.945 1.00 0.00 C ATOM 235 OD1 ASP A 20 6.118 -0.126 -6.464 1.00 0.00 O ATOM 236 OD2 ASP A 20 4.784 -1.322 -7.736 1.00 0.00 O ATOM 0 H ASP A 20 3.017 -1.764 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 20 4.030 0.520 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.020 0.379 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.133 1.548 -6.592 1.00 0.00 H new ATOM 241 N LEU A 21 1.988 1.795 -3.899 1.00 0.00 N ATOM 242 CA LEU A 21 0.798 2.567 -3.559 1.00 0.00 C ATOM 243 C LEU A 21 0.757 3.878 -4.338 1.00 0.00 C ATOM 244 O LEU A 21 1.746 4.608 -4.396 1.00 0.00 O ATOM 245 CB LEU A 21 0.764 2.853 -2.056 1.00 0.00 C ATOM 246 CG LEU A 21 -0.619 3.092 -1.449 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.504 1.870 -1.641 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.501 3.441 0.027 1.00 0.00 C ATOM 0 H LEU A 21 2.796 1.983 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.077 1.977 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.227 2.014 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.381 3.729 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.080 3.934 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.484 2.058 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.616 1.665 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.047 1.010 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.495 3.608 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.019 2.620 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.096 4.346 0.140 1.00 0.00 H new ATOM 260 N ASN A 22 -0.394 4.170 -4.935 1.00 0.00 N ATOM 261 CA ASN A 22 -0.564 5.393 -5.710 1.00 0.00 C ATOM 262 C ASN A 22 -1.165 6.502 -4.851 1.00 0.00 C ATOM 263 O ASN A 22 -2.372 6.525 -4.602 1.00 0.00 O ATOM 264 CB ASN A 22 -1.457 5.132 -6.925 1.00 0.00 C ATOM 265 CG ASN A 22 -0.780 4.259 -7.963 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.146 4.759 -8.893 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.911 2.947 -7.809 1.00 0.00 N ATOM 0 H ASN A 22 -1.223 3.576 -4.897 1.00 0.00 H new ATOM 0 HA ASN A 22 0.419 5.716 -6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.380 4.653 -6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.735 6.083 -7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.477 2.309 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.446 2.577 -7.023 1.00 0.00 H new ATOM 274 N LEU A 23 -0.317 7.420 -4.402 1.00 0.00 N ATOM 275 CA LEU A 23 -0.764 8.533 -3.571 1.00 0.00 C ATOM 276 C LEU A 23 -0.334 9.868 -4.171 1.00 0.00 C ATOM 277 O LEU A 23 0.821 10.042 -4.561 1.00 0.00 O ATOM 278 CB LEU A 23 -0.206 8.394 -2.154 1.00 0.00 C ATOM 279 CG LEU A 23 -0.983 7.474 -1.213 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.107 7.036 -0.050 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.239 8.168 -0.706 1.00 0.00 C ATOM 0 H LEU A 23 0.684 7.416 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.853 8.508 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.818 8.028 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.161 9.386 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.282 6.586 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.678 6.382 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.762 6.499 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.224 7.913 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.780 7.498 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.962 9.074 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.876 8.430 -1.551 1.00 0.00 H new ATOM 293 N LYS A 24 -1.269 10.809 -4.241 1.00 0.00 N ATOM 294 CA LYS A 24 -0.987 12.130 -4.790 1.00 0.00 C ATOM 295 C LYS A 24 -1.490 13.226 -3.856 1.00 0.00 C ATOM 296 O LYS A 24 -2.575 13.775 -4.055 1.00 0.00 O ATOM 297 CB LYS A 24 -1.637 12.281 -6.168 1.00 0.00 C ATOM 298 CG LYS A 24 -3.098 11.870 -6.200 1.00 0.00 C ATOM 299 CD LYS A 24 -3.765 12.284 -7.501 1.00 0.00 C ATOM 300 CE LYS A 24 -4.371 13.675 -7.398 1.00 0.00 C ATOM 301 NZ LYS A 24 -5.559 13.698 -6.500 1.00 0.00 N ATOM 0 H LYS A 24 -2.230 10.681 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 24 0.094 12.231 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.553 13.320 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.083 11.680 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.176 10.790 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.623 12.324 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.033 12.263 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.543 11.565 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.620 14.371 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.660 14.020 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.144 14.529 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.119 12.833 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.245 13.748 -5.510 1.00 0.00 H new ATOM 315 N ILE A 25 -0.696 13.540 -2.838 1.00 0.00 N ATOM 316 CA ILE A 25 -1.061 14.572 -1.876 1.00 0.00 C ATOM 317 C ILE A 25 -0.018 15.684 -1.841 1.00 0.00 C ATOM 318 O ILE A 25 0.988 15.604 -1.135 1.00 0.00 O ATOM 319 CB ILE A 25 -1.222 13.990 -0.459 1.00 0.00 C ATOM 320 CG1 ILE A 25 -2.028 12.690 -0.507 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.892 15.002 0.457 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.681 11.723 0.602 1.00 0.00 C ATOM 0 H ILE A 25 0.204 13.095 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.017 14.983 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.233 13.768 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.090 12.928 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.861 12.203 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.998 14.575 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.282 15.904 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.877 15.253 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.291 10.825 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.627 11.455 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.875 12.191 1.567 1.00 0.00 H new ATOM 334 N PRO A 26 -0.262 16.749 -2.619 1.00 0.00 N ATOM 335 CA PRO A 26 0.643 17.900 -2.693 1.00 0.00 C ATOM 336 C PRO A 26 0.648 18.718 -1.406 1.00 0.00 C ATOM 337 O PRO A 26 1.502 19.582 -1.212 1.00 0.00 O ATOM 338 CB PRO A 26 0.074 18.725 -3.849 1.00 0.00 C ATOM 339 CG PRO A 26 -1.368 18.354 -3.905 1.00 0.00 C ATOM 340 CD PRO A 26 -1.441 16.912 -3.486 1.00 0.00 C ATOM 0 HA PRO A 26 1.679 17.595 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.201 19.793 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.579 18.494 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.959 18.984 -3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.767 18.489 -4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.366 16.695 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.404 16.242 -4.345 1.00 0.00 H new ATOM 348 N GLU A 27 -0.312 18.439 -0.529 1.00 0.00 N ATOM 349 CA GLU A 27 -0.418 19.150 0.739 1.00 0.00 C ATOM 350 C GLU A 27 0.532 18.557 1.776 1.00 0.00 C ATOM 351 O GLU A 27 0.821 19.182 2.797 1.00 0.00 O ATOM 352 CB GLU A 27 -1.856 19.099 1.260 1.00 0.00 C ATOM 353 CG GLU A 27 -1.980 19.430 2.737 1.00 0.00 C ATOM 354 CD GLU A 27 -3.363 19.930 3.109 1.00 0.00 C ATOM 355 OE1 GLU A 27 -4.334 19.162 2.944 1.00 0.00 O ATOM 356 OE2 GLU A 27 -3.473 21.087 3.564 1.00 0.00 O ATOM 0 H GLU A 27 -1.027 17.726 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.139 20.190 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.466 19.798 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.262 18.103 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.748 18.542 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.241 20.187 2.999 1.00 0.00 H new ATOM 363 N ILE A 28 1.012 17.348 1.507 1.00 0.00 N ATOM 364 CA ILE A 28 1.928 16.670 2.416 1.00 0.00 C ATOM 365 C ILE A 28 3.135 16.115 1.667 1.00 0.00 C ATOM 366 O ILE A 28 2.994 15.512 0.603 1.00 0.00 O ATOM 367 CB ILE A 28 1.230 15.521 3.166 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.058 16.058 3.990 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.222 14.792 4.060 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.851 14.974 4.527 1.00 0.00 C ATOM 0 H ILE A 28 0.782 16.817 0.667 1.00 0.00 H new ATOM 0 HA ILE A 28 2.263 17.414 3.139 1.00 0.00 H new ATOM 0 HB ILE A 28 0.841 14.813 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.448 16.640 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.528 16.739 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.713 13.982 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.027 14.381 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.637 15.490 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.659 15.428 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.270 14.406 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.279 14.306 5.171 1.00 0.00 H new ATOM 382 N ASN A 29 4.321 16.321 2.230 1.00 0.00 N ATOM 383 CA ASN A 29 5.553 15.839 1.616 1.00 0.00 C ATOM 384 C ASN A 29 5.997 14.523 2.249 1.00 0.00 C ATOM 385 O ASN A 29 5.745 14.273 3.427 1.00 0.00 O ATOM 386 CB ASN A 29 6.660 16.885 1.757 1.00 0.00 C ATOM 387 CG ASN A 29 6.612 17.929 0.658 1.00 0.00 C ATOM 388 OD1 ASN A 29 5.585 18.574 0.444 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.725 18.100 -0.045 1.00 0.00 N ATOM 0 H ASN A 29 4.455 16.818 3.110 1.00 0.00 H new ATOM 0 HA ASN A 29 5.359 15.665 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.570 17.377 2.726 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.630 16.388 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.752 18.788 -0.797 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.553 17.543 0.167 1.00 0.00 H new ATOM 396 N SER A 30 6.661 13.687 1.457 1.00 0.00 N ATOM 397 CA SER A 30 7.139 12.396 1.938 1.00 0.00 C ATOM 398 C SER A 30 8.088 12.573 3.118 1.00 0.00 C ATOM 399 O SER A 30 8.415 11.613 3.816 1.00 0.00 O ATOM 400 CB SER A 30 7.844 11.638 0.811 1.00 0.00 C ATOM 401 OG SER A 30 8.935 12.383 0.300 1.00 0.00 O ATOM 0 H SER A 30 6.880 13.881 0.480 1.00 0.00 H new ATOM 0 HA SER A 30 6.277 11.818 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.198 10.676 1.182 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.135 11.429 0.010 1.00 0.00 H new ATOM 0 HG SER A 30 9.370 11.876 -0.417 1.00 0.00 H new ATOM 407 N SER A 31 8.528 13.809 3.336 1.00 0.00 N ATOM 408 CA SER A 31 9.444 14.113 4.429 1.00 0.00 C ATOM 409 C SER A 31 8.743 13.976 5.778 1.00 0.00 C ATOM 410 O SER A 31 9.351 13.563 6.766 1.00 0.00 O ATOM 411 CB SER A 31 10.004 15.528 4.274 1.00 0.00 C ATOM 412 OG SER A 31 8.965 16.492 4.283 1.00 0.00 O ATOM 0 H SER A 31 8.265 14.616 2.770 1.00 0.00 H new ATOM 0 HA SER A 31 10.266 13.398 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.704 15.736 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.564 15.601 3.342 1.00 0.00 H new ATOM 0 HG SER A 31 9.349 17.388 4.184 1.00 0.00 H new ATOM 418 N ASP A 32 7.462 14.325 5.810 1.00 0.00 N ATOM 419 CA ASP A 32 6.677 14.240 7.036 1.00 0.00 C ATOM 420 C ASP A 32 5.616 13.149 6.928 1.00 0.00 C ATOM 421 O ASP A 32 4.586 13.204 7.599 1.00 0.00 O ATOM 422 CB ASP A 32 6.014 15.586 7.337 1.00 0.00 C ATOM 423 CG ASP A 32 7.019 16.650 7.732 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.619 16.526 8.820 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.205 17.608 6.952 1.00 0.00 O ATOM 0 H ASP A 32 6.945 14.669 5.001 1.00 0.00 H new ATOM 0 HA ASP A 32 7.352 13.985 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.461 15.920 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.289 15.459 8.141 1.00 0.00 H new ATOM 430 N MET A 33 5.876 12.161 6.079 1.00 0.00 N ATOM 431 CA MET A 33 4.943 11.057 5.883 1.00 0.00 C ATOM 432 C MET A 33 5.415 9.809 6.623 1.00 0.00 C ATOM 433 O MET A 33 6.608 9.636 6.870 1.00 0.00 O ATOM 434 CB MET A 33 4.786 10.752 4.393 1.00 0.00 C ATOM 435 CG MET A 33 3.841 11.701 3.674 1.00 0.00 C ATOM 436 SD MET A 33 3.690 11.332 1.916 1.00 0.00 S ATOM 437 CE MET A 33 3.481 9.553 1.959 1.00 0.00 C ATOM 0 H MET A 33 6.724 12.102 5.516 1.00 0.00 H new ATOM 0 HA MET A 33 3.976 11.355 6.289 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.765 10.797 3.916 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.421 9.732 4.276 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.856 11.648 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.197 12.724 3.797 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.950 9.227 1.065 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.459 9.073 1.995 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.907 9.275 2.843 1.00 0.00 H new ATOM 447 N SER A 34 4.470 8.942 6.975 1.00 0.00 N ATOM 448 CA SER A 34 4.789 7.712 7.690 1.00 0.00 C ATOM 449 C SER A 34 3.756 6.629 7.395 1.00 0.00 C ATOM 450 O SER A 34 2.603 6.724 7.816 1.00 0.00 O ATOM 451 CB SER A 34 4.854 7.975 9.196 1.00 0.00 C ATOM 452 OG SER A 34 5.753 9.029 9.491 1.00 0.00 O ATOM 0 H SER A 34 3.478 9.069 6.776 1.00 0.00 H new ATOM 0 HA SER A 34 5.763 7.363 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.860 8.225 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.169 7.069 9.713 1.00 0.00 H new ATOM 0 HG SER A 34 5.775 9.178 10.459 1.00 0.00 H new ATOM 458 N ALA A 35 4.178 5.599 6.669 1.00 0.00 N ATOM 459 CA ALA A 35 3.292 4.496 6.320 1.00 0.00 C ATOM 460 C ALA A 35 3.616 3.251 7.138 1.00 0.00 C ATOM 461 O ALA A 35 4.752 3.059 7.572 1.00 0.00 O ATOM 462 CB ALA A 35 3.389 4.193 4.832 1.00 0.00 C ATOM 0 H ALA A 35 5.129 5.506 6.311 1.00 0.00 H new ATOM 0 HA ALA A 35 2.270 4.795 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.722 3.367 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.100 5.076 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.414 3.919 4.583 1.00 0.00 H new ATOM 468 N HIS A 36 2.610 2.406 7.345 1.00 0.00 N ATOM 469 CA HIS A 36 2.789 1.178 8.111 1.00 0.00 C ATOM 470 C HIS A 36 1.876 0.074 7.588 1.00 0.00 C ATOM 471 O HIS A 36 0.664 0.257 7.476 1.00 0.00 O ATOM 472 CB HIS A 36 2.506 1.431 9.593 1.00 0.00 C ATOM 473 CG HIS A 36 3.320 2.545 10.176 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.806 3.800 10.428 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.617 2.587 10.559 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.754 4.565 10.940 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.862 3.853 11.030 1.00 0.00 N ATOM 0 H HIS A 36 1.663 2.550 6.993 1.00 0.00 H new ATOM 0 HA HIS A 36 3.824 0.854 7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.448 1.661 9.718 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.702 0.517 10.153 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.327 1.775 10.504 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.641 5.598 11.235 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.755 4.189 11.391 1.00 0.00 H new ATOM 486 N VAL A 37 2.466 -1.074 7.269 1.00 0.00 N ATOM 487 CA VAL A 37 1.706 -2.208 6.758 1.00 0.00 C ATOM 488 C VAL A 37 1.181 -3.076 7.896 1.00 0.00 C ATOM 489 O VAL A 37 1.916 -3.882 8.468 1.00 0.00 O ATOM 490 CB VAL A 37 2.560 -3.078 5.816 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.823 -4.359 5.458 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.932 -2.299 4.564 1.00 0.00 C ATOM 0 H VAL A 37 3.468 -1.243 7.356 1.00 0.00 H new ATOM 0 HA VAL A 37 0.865 -1.798 6.199 1.00 0.00 H new ATOM 0 HB VAL A 37 3.480 -3.350 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.442 -4.961 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.612 -4.924 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.886 -4.112 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.535 -2.928 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.025 -1.996 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.503 -1.413 4.843 1.00 0.00 H new ATOM 502 N THR A 38 -0.097 -2.906 8.222 1.00 0.00 N ATOM 503 CA THR A 38 -0.721 -3.673 9.292 1.00 0.00 C ATOM 504 C THR A 38 -1.274 -4.995 8.772 1.00 0.00 C ATOM 505 O THR A 38 -2.057 -5.020 7.822 1.00 0.00 O ATOM 506 CB THR A 38 -1.861 -2.880 9.960 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.504 -1.497 10.056 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.161 -3.429 11.347 1.00 0.00 C ATOM 0 H THR A 38 -0.720 -2.243 7.760 1.00 0.00 H new ATOM 0 HA THR A 38 0.055 -3.873 10.031 1.00 0.00 H new ATOM 0 HB THR A 38 -2.755 -2.982 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.156 -1.029 10.618 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.969 -2.854 11.799 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.460 -4.474 11.268 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.269 -3.353 11.969 1.00 0.00 H new ATOM 516 N SER A 39 -0.864 -6.092 9.401 1.00 0.00 N ATOM 517 CA SER A 39 -1.316 -7.418 8.998 1.00 0.00 C ATOM 518 C SER A 39 -2.618 -7.785 9.704 1.00 0.00 C ATOM 519 O SER A 39 -2.965 -7.232 10.748 1.00 0.00 O ATOM 520 CB SER A 39 -0.242 -8.462 9.310 1.00 0.00 C ATOM 521 OG SER A 39 0.732 -8.514 8.282 1.00 0.00 O ATOM 0 H SER A 39 -0.220 -6.088 10.192 1.00 0.00 H new ATOM 0 HA SER A 39 -1.497 -7.403 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.238 -8.222 10.259 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.705 -9.442 9.426 1.00 0.00 H new ATOM 0 HG SER A 39 1.408 -9.187 8.506 1.00 0.00 H new ATOM 527 N PRO A 40 -3.357 -8.741 9.121 1.00 0.00 N ATOM 528 CA PRO A 40 -4.632 -9.205 9.676 1.00 0.00 C ATOM 529 C PRO A 40 -4.449 -9.996 10.967 1.00 0.00 C ATOM 530 O PRO A 40 -5.419 -10.308 11.658 1.00 0.00 O ATOM 531 CB PRO A 40 -5.193 -10.104 8.572 1.00 0.00 C ATOM 532 CG PRO A 40 -3.995 -10.572 7.820 1.00 0.00 C ATOM 533 CD PRO A 40 -3.004 -9.443 7.876 1.00 0.00 C ATOM 0 HA PRO A 40 -5.287 -8.375 9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.751 -10.942 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.878 -9.556 7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.582 -11.476 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.252 -10.815 6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.978 -9.810 7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.090 -8.789 7.008 1.00 0.00 H new ATOM 541 N SER A 41 -3.200 -10.318 11.286 1.00 0.00 N ATOM 542 CA SER A 41 -2.890 -11.076 12.493 1.00 0.00 C ATOM 543 C SER A 41 -2.621 -10.141 13.668 1.00 0.00 C ATOM 544 O SER A 41 -2.736 -10.535 14.828 1.00 0.00 O ATOM 545 CB SER A 41 -1.677 -11.978 12.257 1.00 0.00 C ATOM 546 OG SER A 41 -0.473 -11.231 12.280 1.00 0.00 O ATOM 0 H SER A 41 -2.386 -10.066 10.726 1.00 0.00 H new ATOM 0 HA SER A 41 -3.754 -11.696 12.734 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.642 -12.753 13.022 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.777 -12.483 11.296 1.00 0.00 H new ATOM 0 HG SER A 41 0.287 -11.831 12.128 1.00 0.00 H new ATOM 552 N GLY A 42 -2.263 -8.899 13.358 1.00 0.00 N ATOM 553 CA GLY A 42 -1.983 -7.926 14.398 1.00 0.00 C ATOM 554 C GLY A 42 -0.541 -7.457 14.381 1.00 0.00 C ATOM 555 O GLY A 42 -0.063 -6.863 15.347 1.00 0.00 O ATOM 0 H GLY A 42 -2.162 -8.549 12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.643 -7.067 14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.208 -8.364 15.371 1.00 0.00 H new ATOM 559 N ARG A 43 0.154 -7.727 13.281 1.00 0.00 N ATOM 560 CA ARG A 43 1.550 -7.331 13.143 1.00 0.00 C ATOM 561 C ARG A 43 1.704 -6.235 12.093 1.00 0.00 C ATOM 562 O ARG A 43 1.382 -6.433 10.922 1.00 0.00 O ATOM 563 CB ARG A 43 2.410 -8.539 12.765 1.00 0.00 C ATOM 564 CG ARG A 43 3.897 -8.232 12.700 1.00 0.00 C ATOM 565 CD ARG A 43 4.661 -9.327 11.973 1.00 0.00 C ATOM 566 NE ARG A 43 4.447 -10.639 12.578 1.00 0.00 N ATOM 567 CZ ARG A 43 5.013 -11.755 12.134 1.00 0.00 C ATOM 568 NH1 ARG A 43 5.824 -11.719 11.085 1.00 0.00 N ATOM 569 NH2 ARG A 43 4.770 -12.911 12.738 1.00 0.00 N ATOM 0 H ARG A 43 -0.227 -8.218 12.472 1.00 0.00 H new ATOM 0 HA ARG A 43 1.887 -6.940 14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.243 -9.334 13.491 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.083 -8.918 11.797 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.051 -7.280 12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.291 -8.121 13.710 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.349 -9.354 10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.726 -9.093 11.982 1.00 0.00 H new ATOM 0 HE ARG A 43 3.828 -10.701 13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.014 -10.833 10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.258 -12.578 10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.147 -12.944 13.545 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.206 -13.767 12.395 1.00 0.00 H new ATOM 583 N VAL A 44 2.198 -5.078 12.522 1.00 0.00 N ATOM 584 CA VAL A 44 2.395 -3.950 11.619 1.00 0.00 C ATOM 585 C VAL A 44 3.870 -3.577 11.519 1.00 0.00 C ATOM 586 O VAL A 44 4.599 -3.610 12.511 1.00 0.00 O ATOM 587 CB VAL A 44 1.595 -2.716 12.079 1.00 0.00 C ATOM 588 CG1 VAL A 44 1.884 -2.407 13.540 1.00 0.00 C ATOM 589 CG2 VAL A 44 1.913 -1.517 11.198 1.00 0.00 C ATOM 0 H VAL A 44 2.469 -4.897 13.489 1.00 0.00 H new ATOM 0 HA VAL A 44 2.035 -4.263 10.639 1.00 0.00 H new ATOM 0 HB VAL A 44 0.532 -2.936 11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.310 -1.533 13.847 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.601 -3.261 14.155 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.948 -2.206 13.666 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.339 -0.654 11.537 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.978 -1.292 11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.650 -1.745 10.165 1.00 0.00 H new ATOM 599 N THR A 45 4.305 -3.221 10.314 1.00 0.00 N ATOM 600 CA THR A 45 5.693 -2.842 10.084 1.00 0.00 C ATOM 601 C THR A 45 5.786 -1.478 9.409 1.00 0.00 C ATOM 602 O THR A 45 4.769 -0.844 9.129 1.00 0.00 O ATOM 603 CB THR A 45 6.422 -3.883 9.214 1.00 0.00 C ATOM 604 OG1 THR A 45 5.550 -4.357 8.182 1.00 0.00 O ATOM 605 CG2 THR A 45 6.900 -5.054 10.058 1.00 0.00 C ATOM 0 H THR A 45 3.715 -3.187 9.482 1.00 0.00 H new ATOM 0 HA THR A 45 6.174 -2.794 11.061 1.00 0.00 H new ATOM 0 HB THR A 45 7.290 -3.402 8.763 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.022 -5.017 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.412 -5.776 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.587 -4.694 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.044 -5.532 10.534 1.00 0.00 H new ATOM 613 N GLU A 46 7.012 -1.033 9.151 1.00 0.00 N ATOM 614 CA GLU A 46 7.236 0.257 8.509 1.00 0.00 C ATOM 615 C GLU A 46 7.466 0.086 7.010 1.00 0.00 C ATOM 616 O GLU A 46 8.169 -0.828 6.580 1.00 0.00 O ATOM 617 CB GLU A 46 8.434 0.966 9.143 1.00 0.00 C ATOM 618 CG GLU A 46 8.455 2.465 8.896 1.00 0.00 C ATOM 619 CD GLU A 46 9.855 3.046 8.953 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.570 2.974 7.932 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.234 3.573 10.020 1.00 0.00 O ATOM 0 H GLU A 46 7.864 -1.546 9.376 1.00 0.00 H new ATOM 0 HA GLU A 46 6.344 0.866 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.426 0.783 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.353 0.529 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.018 2.675 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.829 2.961 9.638 1.00 0.00 H new ATOM 628 N ALA A 47 6.868 0.972 6.221 1.00 0.00 N ATOM 629 CA ALA A 47 7.008 0.921 4.771 1.00 0.00 C ATOM 630 C ALA A 47 7.952 2.010 4.272 1.00 0.00 C ATOM 631 O ALA A 47 8.245 2.966 4.989 1.00 0.00 O ATOM 632 CB ALA A 47 5.647 1.053 4.104 1.00 0.00 C ATOM 0 H ALA A 47 6.282 1.734 6.562 1.00 0.00 H new ATOM 0 HA ALA A 47 7.438 -0.045 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.767 1.013 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.002 0.236 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.195 2.005 4.384 1.00 0.00 H new ATOM 638 N GLU A 48 8.424 1.858 3.038 1.00 0.00 N ATOM 639 CA GLU A 48 9.336 2.829 2.445 1.00 0.00 C ATOM 640 C GLU A 48 8.617 3.690 1.412 1.00 0.00 C ATOM 641 O GLU A 48 7.816 3.191 0.621 1.00 0.00 O ATOM 642 CB GLU A 48 10.523 2.115 1.794 1.00 0.00 C ATOM 643 CG GLU A 48 11.472 3.053 1.067 1.00 0.00 C ATOM 644 CD GLU A 48 12.820 2.416 0.786 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.959 1.767 -0.272 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.734 2.566 1.623 1.00 0.00 O ATOM 0 H GLU A 48 8.190 1.073 2.431 1.00 0.00 H new ATOM 0 HA GLU A 48 9.703 3.478 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.077 1.574 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.148 1.373 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.019 3.365 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.617 3.953 1.665 1.00 0.00 H new ATOM 653 N ILE A 49 8.909 4.987 1.425 1.00 0.00 N ATOM 654 CA ILE A 49 8.290 5.918 0.489 1.00 0.00 C ATOM 655 C ILE A 49 9.297 6.404 -0.548 1.00 0.00 C ATOM 656 O ILE A 49 10.113 7.283 -0.272 1.00 0.00 O ATOM 657 CB ILE A 49 7.692 7.135 1.218 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.801 6.677 2.375 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.905 8.001 0.246 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.731 7.670 3.513 1.00 0.00 C ATOM 0 H ILE A 49 9.570 5.416 2.073 1.00 0.00 H new ATOM 0 HA ILE A 49 7.488 5.376 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 49 8.507 7.732 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.794 6.497 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.174 5.726 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.489 8.857 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.566 8.352 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.095 7.415 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.082 7.280 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.731 7.832 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.329 8.615 3.147 1.00 0.00 H new ATOM 672 N VAL A 50 9.232 5.828 -1.744 1.00 0.00 N ATOM 673 CA VAL A 50 10.135 6.204 -2.824 1.00 0.00 C ATOM 674 C VAL A 50 9.781 7.577 -3.384 1.00 0.00 C ATOM 675 O VAL A 50 8.619 7.886 -3.649 1.00 0.00 O ATOM 676 CB VAL A 50 10.104 5.173 -3.968 1.00 0.00 C ATOM 677 CG1 VAL A 50 10.958 5.643 -5.135 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.570 3.812 -3.470 1.00 0.00 C ATOM 0 H VAL A 50 8.563 5.099 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 50 11.138 6.235 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 50 9.076 5.075 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.923 4.901 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.575 6.594 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.988 5.771 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.542 3.095 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.589 3.892 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.913 3.473 -2.669 1.00 0.00 H new ATOM 688 N PRO A 51 10.805 8.423 -3.570 1.00 0.00 N ATOM 689 CA PRO A 51 10.627 9.778 -4.101 1.00 0.00 C ATOM 690 C PRO A 51 10.234 9.776 -5.574 1.00 0.00 C ATOM 691 O PRO A 51 11.089 9.677 -6.454 1.00 0.00 O ATOM 692 CB PRO A 51 12.006 10.416 -3.916 1.00 0.00 C ATOM 693 CG PRO A 51 12.956 9.268 -3.909 1.00 0.00 C ATOM 694 CD PRO A 51 12.216 8.122 -3.276 1.00 0.00 C ATOM 0 HA PRO A 51 9.824 10.312 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.232 11.112 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.060 10.980 -2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.272 9.017 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.857 9.510 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.519 7.165 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.400 8.068 -2.203 1.00 0.00 H new ATOM 702 N MET A 52 8.935 9.885 -5.836 1.00 0.00 N ATOM 703 CA MET A 52 8.430 9.898 -7.204 1.00 0.00 C ATOM 704 C MET A 52 8.784 11.207 -7.902 1.00 0.00 C ATOM 705 O MET A 52 9.483 11.212 -8.914 1.00 0.00 O ATOM 706 CB MET A 52 6.914 9.695 -7.212 1.00 0.00 C ATOM 707 CG MET A 52 6.476 8.359 -6.635 1.00 0.00 C ATOM 708 SD MET A 52 4.858 7.839 -7.237 1.00 0.00 S ATOM 709 CE MET A 52 5.329 6.715 -8.549 1.00 0.00 C ATOM 0 H MET A 52 8.214 9.966 -5.119 1.00 0.00 H new ATOM 0 HA MET A 52 8.902 9.079 -7.747 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.445 10.498 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.550 9.776 -8.236 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.215 7.599 -6.888 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.450 8.428 -5.548 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.557 6.710 -9.318 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.274 7.040 -8.985 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.444 5.710 -8.143 1.00 0.00 H new ATOM 719 N GLY A 53 8.296 12.316 -7.354 1.00 0.00 N ATOM 720 CA GLY A 53 8.571 13.615 -7.938 1.00 0.00 C ATOM 721 C GLY A 53 8.405 14.746 -6.942 1.00 0.00 C ATOM 722 O GLY A 53 9.297 15.009 -6.136 1.00 0.00 O ATOM 0 H GLY A 53 7.715 12.337 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.588 13.626 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.903 13.779 -8.783 1.00 0.00 H new ATOM 726 N LYS A 54 7.261 15.419 -6.998 1.00 0.00 N ATOM 727 CA LYS A 54 6.980 16.528 -6.095 1.00 0.00 C ATOM 728 C LYS A 54 5.849 16.174 -5.134 1.00 0.00 C ATOM 729 O LYS A 54 6.045 16.130 -3.920 1.00 0.00 O ATOM 730 CB LYS A 54 6.613 17.781 -6.892 1.00 0.00 C ATOM 731 CG LYS A 54 7.808 18.648 -7.248 1.00 0.00 C ATOM 732 CD LYS A 54 8.657 18.010 -8.334 1.00 0.00 C ATOM 733 CE LYS A 54 9.726 18.966 -8.840 1.00 0.00 C ATOM 734 NZ LYS A 54 10.450 18.414 -10.019 1.00 0.00 N ATOM 0 H LYS A 54 6.513 15.215 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 54 7.880 16.726 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.106 17.482 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.904 18.374 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.462 19.626 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.417 18.813 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.129 17.108 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.019 17.704 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.265 19.917 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.438 19.172 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.170 19.095 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.911 17.520 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.775 18.242 -10.791 1.00 0.00 H new ATOM 748 N ASN A 55 4.667 15.922 -5.686 1.00 0.00 N ATOM 749 CA ASN A 55 3.505 15.571 -4.877 1.00 0.00 C ATOM 750 C ASN A 55 3.054 14.142 -5.165 1.00 0.00 C ATOM 751 O ASN A 55 1.859 13.869 -5.281 1.00 0.00 O ATOM 752 CB ASN A 55 2.357 16.544 -5.148 1.00 0.00 C ATOM 753 CG ASN A 55 2.091 16.729 -6.630 1.00 0.00 C ATOM 754 OD1 ASN A 55 1.775 15.773 -7.338 1.00 0.00 O ATOM 755 ND2 ASN A 55 2.220 17.962 -7.104 1.00 0.00 N ATOM 0 H ASN A 55 4.488 15.954 -6.690 1.00 0.00 H new ATOM 0 HA ASN A 55 3.790 15.639 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.452 16.178 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.590 17.510 -4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.055 18.148 -8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.484 18.724 -6.479 1.00 0.00 H new ATOM 762 N SER A 56 4.018 13.234 -5.277 1.00 0.00 N ATOM 763 CA SER A 56 3.720 11.833 -5.554 1.00 0.00 C ATOM 764 C SER A 56 4.511 10.916 -4.626 1.00 0.00 C ATOM 765 O SER A 56 5.707 11.116 -4.408 1.00 0.00 O ATOM 766 CB SER A 56 4.040 11.501 -7.013 1.00 0.00 C ATOM 767 OG SER A 56 3.142 12.154 -7.894 1.00 0.00 O ATOM 0 H SER A 56 5.012 13.443 -5.180 1.00 0.00 H new ATOM 0 HA SER A 56 2.657 11.671 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.062 11.802 -7.242 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.984 10.423 -7.165 1.00 0.00 H new ATOM 0 HG SER A 56 3.369 11.927 -8.820 1.00 0.00 H new ATOM 773 N HIS A 57 3.835 9.909 -4.082 1.00 0.00 N ATOM 774 CA HIS A 57 4.474 8.960 -3.178 1.00 0.00 C ATOM 775 C HIS A 57 4.261 7.527 -3.656 1.00 0.00 C ATOM 776 O HIS A 57 3.185 7.178 -4.143 1.00 0.00 O ATOM 777 CB HIS A 57 3.924 9.124 -1.761 1.00 0.00 C ATOM 778 CG HIS A 57 3.548 10.534 -1.424 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.462 11.477 -1.003 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.348 11.161 -1.450 1.00 0.00 C ATOM 781 CE1 HIS A 57 3.840 12.622 -0.783 1.00 0.00 C ATOM 782 NE2 HIS A 57 2.557 12.457 -1.047 1.00 0.00 N ATOM 0 H HIS A 57 2.845 9.729 -4.252 1.00 0.00 H new ATOM 0 HA HIS A 57 5.544 9.167 -3.171 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.049 8.485 -1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.671 8.775 -1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.403 10.723 -1.735 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.303 13.537 -0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.838 13.176 -0.965 1.00 0.00 H new ATOM 791 N CYS A 58 5.292 6.701 -3.514 1.00 0.00 N ATOM 792 CA CYS A 58 5.218 5.306 -3.932 1.00 0.00 C ATOM 793 C CYS A 58 5.656 4.376 -2.806 1.00 0.00 C ATOM 794 O CYS A 58 6.849 4.220 -2.544 1.00 0.00 O ATOM 795 CB CYS A 58 6.089 5.076 -5.168 1.00 0.00 C ATOM 796 SG CYS A 58 5.782 3.503 -6.006 1.00 0.00 S ATOM 0 H CYS A 58 6.189 6.974 -3.112 1.00 0.00 H new ATOM 0 HA CYS A 58 4.181 5.082 -4.180 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.922 5.890 -5.874 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.138 5.120 -4.874 1.00 0.00 H new ATOM 0 HG CYS A 58 6.565 3.402 -7.039 1.00 0.00 H new ATOM 802 N VAL A 59 4.683 3.762 -2.140 1.00 0.00 N ATOM 803 CA VAL A 59 4.968 2.848 -1.040 1.00 0.00 C ATOM 804 C VAL A 59 5.276 1.447 -1.556 1.00 0.00 C ATOM 805 O VAL A 59 4.451 0.827 -2.229 1.00 0.00 O ATOM 806 CB VAL A 59 3.789 2.772 -0.053 1.00 0.00 C ATOM 807 CG1 VAL A 59 4.085 1.778 1.059 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.484 4.149 0.519 1.00 0.00 C ATOM 0 H VAL A 59 3.691 3.881 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 59 5.842 3.241 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 59 2.908 2.424 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.240 1.739 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.250 0.790 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.978 2.092 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.648 4.077 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.361 4.527 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.224 4.830 -0.291 1.00 0.00 H new ATOM 818 N ARG A 60 6.467 0.953 -1.237 1.00 0.00 N ATOM 819 CA ARG A 60 6.884 -0.376 -1.669 1.00 0.00 C ATOM 820 C ARG A 60 7.036 -1.313 -0.474 1.00 0.00 C ATOM 821 O ARG A 60 7.759 -1.013 0.476 1.00 0.00 O ATOM 822 CB ARG A 60 8.205 -0.294 -2.437 1.00 0.00 C ATOM 823 CG ARG A 60 8.028 -0.049 -3.927 1.00 0.00 C ATOM 824 CD ARG A 60 9.319 -0.304 -4.690 1.00 0.00 C ATOM 825 NE ARG A 60 10.436 0.466 -4.149 1.00 0.00 N ATOM 826 CZ ARG A 60 11.585 0.643 -4.791 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.768 0.108 -5.990 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.555 1.357 -4.233 1.00 0.00 N ATOM 0 H ARG A 60 7.161 1.453 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 60 6.113 -0.776 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.812 0.507 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.758 -1.222 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.242 -0.698 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.703 0.978 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.559 -1.367 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.176 -0.047 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 60 10.328 0.891 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.025 -0.441 -6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.652 0.246 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.418 1.770 -3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.437 1.492 -4.727 1.00 0.00 H new ATOM 842 N PHE A 61 6.349 -2.449 -0.529 1.00 0.00 N ATOM 843 CA PHE A 61 6.405 -3.430 0.549 1.00 0.00 C ATOM 844 C PHE A 61 6.074 -4.827 0.031 1.00 0.00 C ATOM 845 O PHE A 61 5.544 -4.984 -1.069 1.00 0.00 O ATOM 846 CB PHE A 61 5.435 -3.046 1.668 1.00 0.00 C ATOM 847 CG PHE A 61 3.995 -3.046 1.240 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.285 -4.233 1.154 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.353 -1.860 0.922 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.959 -4.237 0.761 1.00 0.00 C ATOM 851 CE2 PHE A 61 2.028 -1.858 0.529 1.00 0.00 C ATOM 852 CZ PHE A 61 1.331 -3.048 0.447 1.00 0.00 C ATOM 0 H PHE A 61 5.747 -2.713 -1.309 1.00 0.00 H new ATOM 0 HA PHE A 61 7.420 -3.439 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.559 -3.740 2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.695 -2.055 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.773 -5.166 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.894 -0.927 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.416 -5.168 0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.538 -0.927 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.296 -3.048 0.138 1.00 0.00 H new ATOM 862 N VAL A 62 6.392 -5.839 0.831 1.00 0.00 N ATOM 863 CA VAL A 62 6.129 -7.223 0.456 1.00 0.00 C ATOM 864 C VAL A 62 5.046 -7.835 1.336 1.00 0.00 C ATOM 865 O VAL A 62 5.294 -8.257 2.466 1.00 0.00 O ATOM 866 CB VAL A 62 7.403 -8.083 0.555 1.00 0.00 C ATOM 867 CG1 VAL A 62 7.146 -9.482 0.015 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.553 -7.419 -0.187 1.00 0.00 C ATOM 0 H VAL A 62 6.833 -5.726 1.744 1.00 0.00 H new ATOM 0 HA VAL A 62 5.787 -7.211 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 62 7.681 -8.170 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.057 -10.075 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.354 -9.956 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.843 -9.419 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.445 -8.040 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.288 -7.299 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.752 -6.441 0.251 1.00 0.00 H new ATOM 878 N PRO A 63 3.813 -7.886 0.809 1.00 0.00 N ATOM 879 CA PRO A 63 2.667 -8.446 1.530 1.00 0.00 C ATOM 880 C PRO A 63 2.766 -9.959 1.692 1.00 0.00 C ATOM 881 O PRO A 63 3.762 -10.569 1.304 1.00 0.00 O ATOM 882 CB PRO A 63 1.476 -8.081 0.640 1.00 0.00 C ATOM 883 CG PRO A 63 2.053 -7.937 -0.725 1.00 0.00 C ATOM 884 CD PRO A 63 3.445 -7.402 -0.532 1.00 0.00 C ATOM 0 HA PRO A 63 2.594 -8.056 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.710 -8.856 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.004 -7.155 0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.072 -8.895 -1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.455 -7.258 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.128 -7.775 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.469 -6.314 -0.587 1.00 0.00 H new ATOM 892 N GLN A 64 1.728 -10.558 2.266 1.00 0.00 N ATOM 893 CA GLN A 64 1.700 -12.000 2.479 1.00 0.00 C ATOM 894 C GLN A 64 0.672 -12.665 1.569 1.00 0.00 C ATOM 895 O GLN A 64 -0.092 -11.988 0.882 1.00 0.00 O ATOM 896 CB GLN A 64 1.383 -12.315 3.942 1.00 0.00 C ATOM 897 CG GLN A 64 2.550 -12.068 4.884 1.00 0.00 C ATOM 898 CD GLN A 64 3.779 -12.876 4.516 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.926 -14.026 4.931 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.668 -12.278 3.733 1.00 0.00 N ATOM 0 H GLN A 64 0.895 -10.067 2.592 1.00 0.00 H new ATOM 0 HA GLN A 64 2.685 -12.397 2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.535 -11.708 4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.076 -13.358 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.801 -11.007 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.249 -12.315 5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.505 -11.323 3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.514 -12.773 3.452 1.00 0.00 H new ATOM 909 N GLU A 65 0.660 -13.994 1.570 1.00 0.00 N ATOM 910 CA GLU A 65 -0.274 -14.750 0.743 1.00 0.00 C ATOM 911 C GLU A 65 -1.579 -15.006 1.492 1.00 0.00 C ATOM 912 O GLU A 65 -1.570 -15.412 2.654 1.00 0.00 O ATOM 913 CB GLU A 65 0.351 -16.079 0.314 1.00 0.00 C ATOM 914 CG GLU A 65 0.548 -17.057 1.460 1.00 0.00 C ATOM 915 CD GLU A 65 1.344 -18.281 1.051 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.381 -18.115 0.376 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.929 -19.404 1.406 1.00 0.00 O ATOM 0 H GLU A 65 1.286 -14.569 2.134 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.495 -14.158 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.283 -16.542 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.315 -15.883 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.060 -16.552 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.426 -17.370 1.837 1.00 0.00 H new ATOM 924 N MET A 66 -2.698 -14.766 0.817 1.00 0.00 N ATOM 925 CA MET A 66 -4.011 -14.972 1.418 1.00 0.00 C ATOM 926 C MET A 66 -4.138 -14.197 2.726 1.00 0.00 C ATOM 927 O MET A 66 -4.474 -14.764 3.764 1.00 0.00 O ATOM 928 CB MET A 66 -4.253 -16.462 1.668 1.00 0.00 C ATOM 929 CG MET A 66 -3.668 -17.362 0.593 1.00 0.00 C ATOM 930 SD MET A 66 -4.418 -17.090 -1.024 1.00 0.00 S ATOM 931 CE MET A 66 -3.085 -16.254 -1.880 1.00 0.00 C ATOM 0 H MET A 66 -2.722 -14.429 -0.145 1.00 0.00 H new ATOM 0 HA MET A 66 -4.764 -14.601 0.722 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.823 -16.735 2.632 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.326 -16.641 1.736 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.594 -17.189 0.525 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.805 -18.404 0.882 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.376 -15.224 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.192 -16.260 -1.256 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.875 -16.769 -2.818 1.00 0.00 H new ATOM 941 N GLY A 67 -3.867 -12.897 2.667 1.00 0.00 N ATOM 942 CA GLY A 67 -3.956 -12.066 3.853 1.00 0.00 C ATOM 943 C GLY A 67 -4.289 -10.624 3.528 1.00 0.00 C ATOM 944 O GLY A 67 -3.708 -10.035 2.615 1.00 0.00 O ATOM 0 H GLY A 67 -3.587 -12.404 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.718 -12.470 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.009 -12.104 4.391 1.00 0.00 H new ATOM 948 N VAL A 68 -5.229 -10.052 4.274 1.00 0.00 N ATOM 949 CA VAL A 68 -5.639 -8.669 4.059 1.00 0.00 C ATOM 950 C VAL A 68 -4.832 -7.715 4.932 1.00 0.00 C ATOM 951 O VAL A 68 -4.902 -7.769 6.160 1.00 0.00 O ATOM 952 CB VAL A 68 -7.138 -8.476 4.356 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.542 -7.025 4.143 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.976 -9.405 3.491 1.00 0.00 C ATOM 0 H VAL A 68 -5.721 -10.525 5.032 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.452 -8.442 3.009 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.320 -8.728 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.604 -6.908 4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.964 -6.385 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.347 -6.741 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.032 -9.255 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.793 -9.187 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.704 -10.440 3.699 1.00 0.00 H new ATOM 964 N HIS A 69 -4.065 -6.839 4.290 1.00 0.00 N ATOM 965 CA HIS A 69 -3.244 -5.870 5.008 1.00 0.00 C ATOM 966 C HIS A 69 -3.856 -4.475 4.929 1.00 0.00 C ATOM 967 O HIS A 69 -4.686 -4.197 4.062 1.00 0.00 O ATOM 968 CB HIS A 69 -1.825 -5.850 4.438 1.00 0.00 C ATOM 969 CG HIS A 69 -1.190 -7.205 4.366 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.640 -8.204 3.530 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.130 -7.722 5.032 1.00 0.00 C ATOM 972 CE1 HIS A 69 -0.887 -9.278 3.685 1.00 0.00 C ATOM 973 NE2 HIS A 69 0.037 -9.011 4.591 1.00 0.00 N ATOM 0 H HIS A 69 -3.995 -6.780 3.274 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.203 -6.171 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.850 -5.416 3.439 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.204 -5.199 5.053 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.431 -8.126 2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.471 -7.215 5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.006 -10.215 3.161 1.00 0.00 H new ATOM 982 N THR A 70 -3.443 -3.600 5.841 1.00 0.00 N ATOM 983 CA THR A 70 -3.952 -2.235 5.876 1.00 0.00 C ATOM 984 C THR A 70 -2.814 -1.227 5.985 1.00 0.00 C ATOM 985 O THR A 70 -1.935 -1.357 6.837 1.00 0.00 O ATOM 986 CB THR A 70 -4.921 -2.027 7.055 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.902 -3.070 7.072 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.613 -0.676 6.955 1.00 0.00 C ATOM 0 H THR A 70 -2.757 -3.813 6.565 1.00 0.00 H new ATOM 0 HA THR A 70 -4.489 -2.074 4.941 1.00 0.00 H new ATOM 0 HB THR A 70 -4.344 -2.055 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.513 -2.932 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.292 -0.552 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.866 0.118 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.177 -0.624 6.024 1.00 0.00 H new ATOM 996 N VAL A 71 -2.836 -0.221 5.116 1.00 0.00 N ATOM 997 CA VAL A 71 -1.806 0.812 5.116 1.00 0.00 C ATOM 998 C VAL A 71 -2.193 1.973 6.025 1.00 0.00 C ATOM 999 O VAL A 71 -3.058 2.779 5.685 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.550 1.349 3.696 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.315 2.236 3.675 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.409 0.200 2.709 1.00 0.00 C ATOM 0 H VAL A 71 -3.555 -0.099 4.403 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.893 0.349 5.491 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.406 1.953 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.150 2.606 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.461 3.079 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.552 1.660 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.229 0.598 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.572 -0.433 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.326 -0.390 2.704 1.00 0.00 H new ATOM 1012 N SER A 72 -1.544 2.053 7.183 1.00 0.00 N ATOM 1013 CA SER A 72 -1.822 3.114 8.143 1.00 0.00 C ATOM 1014 C SER A 72 -0.941 4.331 7.878 1.00 0.00 C ATOM 1015 O SER A 72 0.248 4.334 8.199 1.00 0.00 O ATOM 1016 CB SER A 72 -1.599 2.611 9.570 1.00 0.00 C ATOM 1017 OG SER A 72 -2.311 1.408 9.804 1.00 0.00 O ATOM 0 H SER A 72 -0.822 1.395 7.478 1.00 0.00 H new ATOM 0 HA SER A 72 -2.865 3.410 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.535 2.446 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.920 3.372 10.281 1.00 0.00 H new ATOM 0 HG SER A 72 -1.712 0.643 9.674 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.533 5.366 7.289 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.803 6.590 6.980 1.00 0.00 C ATOM 1025 C VAL A 73 -1.238 7.732 7.891 1.00 0.00 C ATOM 1026 O VAL A 73 -2.337 8.269 7.752 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.009 7.011 5.513 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.284 8.317 5.225 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.539 5.912 4.572 1.00 0.00 C ATOM 0 H VAL A 73 -2.516 5.381 7.016 1.00 0.00 H new ATOM 0 HA VAL A 73 0.254 6.379 7.144 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.074 7.170 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.441 8.598 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.673 9.100 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.783 8.189 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.692 6.227 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.521 5.719 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.108 5.002 4.762 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.367 8.102 8.824 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.657 9.182 9.758 1.00 0.00 C ATOM 1041 C LYS A 74 0.257 10.378 9.510 1.00 0.00 C ATOM 1042 O LYS A 74 1.374 10.224 9.015 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.497 8.695 11.200 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.752 8.057 11.770 1.00 0.00 C ATOM 1045 CD LYS A 74 -1.820 8.212 13.280 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.125 7.666 13.838 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.031 6.213 14.150 1.00 0.00 N ATOM 0 H LYS A 74 0.547 7.668 8.953 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.688 9.497 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.319 7.973 11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.210 9.537 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.632 8.514 11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.773 6.999 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.980 7.690 13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.723 9.265 13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.391 8.215 14.741 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.926 7.831 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.648 5.679 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.048 5.895 14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.331 6.049 15.132 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.223 11.566 9.858 1.00 0.00 N ATOM 1062 CA TYR A 75 0.552 12.787 9.672 1.00 0.00 C ATOM 1063 C TYR A 75 0.465 13.681 10.905 1.00 0.00 C ATOM 1064 O TYR A 75 -0.564 14.306 11.161 1.00 0.00 O ATOM 1065 CB TYR A 75 0.055 13.549 8.441 1.00 0.00 C ATOM 1066 CG TYR A 75 0.775 14.857 8.207 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.933 14.907 7.440 1.00 0.00 C ATOM 1068 CD2 TYR A 75 0.299 16.043 8.753 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.596 16.100 7.224 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.954 17.240 8.540 1.00 0.00 C ATOM 1071 CZ TYR A 75 2.102 17.264 7.776 1.00 0.00 C ATOM 1072 OH TYR A 75 2.758 18.455 7.563 1.00 0.00 O ATOM 0 H TYR A 75 -1.145 11.710 10.270 1.00 0.00 H new ATOM 0 HA TYR A 75 1.594 12.506 9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.173 12.917 7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.011 13.746 8.552 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.321 13.998 7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.598 16.028 9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.496 16.121 6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.569 18.153 8.970 1.00 0.00 H new ATOM 0 HH TYR A 75 2.170 19.200 7.806 1.00 0.00 H new ATOM 1082 N ARG A 76 1.554 13.736 11.665 1.00 0.00 N ATOM 1083 CA ARG A 76 1.602 14.552 12.873 1.00 0.00 C ATOM 1084 C ARG A 76 0.583 14.065 13.899 1.00 0.00 C ATOM 1085 O ARG A 76 0.121 14.833 14.742 1.00 0.00 O ATOM 1086 CB ARG A 76 1.338 16.020 12.533 1.00 0.00 C ATOM 1087 CG ARG A 76 2.586 16.783 12.121 1.00 0.00 C ATOM 1088 CD ARG A 76 2.241 18.152 11.555 1.00 0.00 C ATOM 1089 NE ARG A 76 3.291 18.662 10.677 1.00 0.00 N ATOM 1090 CZ ARG A 76 4.454 19.128 11.117 1.00 0.00 C ATOM 1091 NH1 ARG A 76 4.716 19.147 12.417 1.00 0.00 N ATOM 1092 NH2 ARG A 76 5.360 19.575 10.256 1.00 0.00 N ATOM 0 H ARG A 76 2.414 13.226 11.466 1.00 0.00 H new ATOM 0 HA ARG A 76 2.599 14.460 13.304 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.608 16.072 11.726 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.892 16.510 13.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.243 16.900 12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.136 16.208 11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.304 18.090 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.081 18.853 12.374 1.00 0.00 H new ATOM 0 HE ARG A 76 3.122 18.660 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.023 18.803 13.082 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.610 19.506 12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.163 19.561 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.253 19.933 10.595 1.00 0.00 H new ATOM 1106 N GLY A 77 0.238 12.784 13.821 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.724 12.217 14.748 1.00 0.00 C ATOM 1108 C GLY A 77 -2.154 12.380 14.271 1.00 0.00 C ATOM 1109 O GLY A 77 -3.062 12.587 15.075 1.00 0.00 O ATOM 0 H GLY A 77 0.607 12.128 13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.509 11.157 14.887 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.612 12.695 15.721 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.354 12.288 12.961 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.683 12.430 12.379 1.00 0.00 C ATOM 1115 C GLN A 78 -3.789 11.656 11.069 1.00 0.00 C ATOM 1116 O GLN A 78 -2.984 11.847 10.156 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.004 13.906 12.141 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.604 14.401 10.760 1.00 0.00 C ATOM 1119 CD GLN A 78 -3.520 15.913 10.683 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.497 16.584 10.350 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -2.349 16.457 10.993 1.00 0.00 N ATOM 0 H GLN A 78 -1.613 12.116 12.282 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.406 12.018 13.083 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.074 14.063 12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.494 14.506 12.895 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.638 13.973 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.327 14.043 10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.566 15.862 11.264 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.233 17.470 10.960 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.787 10.783 10.982 1.00 0.00 N ATOM 1131 CA HIS A 79 -4.999 9.980 9.783 1.00 0.00 C ATOM 1132 C HIS A 79 -5.406 10.861 8.605 1.00 0.00 C ATOM 1133 O HIS A 79 -6.346 11.649 8.702 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.071 8.919 10.036 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.531 7.649 10.618 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.633 6.840 9.955 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.765 7.052 11.810 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.340 5.798 10.712 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.013 5.903 11.844 1.00 0.00 N ATOM 0 H HIS A 79 -5.462 10.613 11.728 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.060 9.484 9.537 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.823 9.328 10.711 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.576 8.693 9.097 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -4.254 7.018 9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.421 7.412 12.589 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.665 4.997 10.450 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.691 10.721 7.493 1.00 0.00 N ATOM 1149 CA VAL A 80 -4.978 11.503 6.296 1.00 0.00 C ATOM 1150 C VAL A 80 -6.273 11.043 5.637 1.00 0.00 C ATOM 1151 O VAL A 80 -6.889 10.066 6.065 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.831 11.404 5.273 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.568 12.051 5.822 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.576 9.952 4.897 1.00 0.00 C ATOM 0 H VAL A 80 -3.909 10.073 7.396 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.084 12.540 6.613 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.124 11.943 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.769 11.971 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.761 13.102 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.268 11.544 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.762 9.901 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.304 9.388 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.478 9.526 4.459 1.00 0.00 H new ATOM 1164 N THR A 81 -6.683 11.754 4.591 1.00 0.00 N ATOM 1165 CA THR A 81 -7.906 11.420 3.871 1.00 0.00 C ATOM 1166 C THR A 81 -7.769 10.088 3.142 1.00 0.00 C ATOM 1167 O THR A 81 -6.741 9.810 2.526 1.00 0.00 O ATOM 1168 CB THR A 81 -8.275 12.515 2.853 1.00 0.00 C ATOM 1169 OG1 THR A 81 -9.665 12.426 2.521 1.00 0.00 O ATOM 1170 CG2 THR A 81 -7.438 12.383 1.590 1.00 0.00 C ATOM 0 H THR A 81 -6.186 12.565 4.223 1.00 0.00 H new ATOM 0 HA THR A 81 -8.700 11.343 4.614 1.00 0.00 H new ATOM 0 HB THR A 81 -8.071 13.485 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.892 13.127 1.875 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.716 13.167 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.382 12.479 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.615 11.408 1.136 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.813 9.268 3.215 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.788 7.975 2.557 1.00 0.00 C ATOM 1180 C GLY A 82 -8.203 6.887 3.436 1.00 0.00 C ATOM 1181 O GLY A 82 -8.644 5.739 3.390 1.00 0.00 O ATOM 0 H GLY A 82 -9.676 9.476 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.802 7.698 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.204 8.049 1.639 1.00 0.00 H new ATOM 1185 N SER A 83 -7.207 7.249 4.239 1.00 0.00 N ATOM 1186 CA SER A 83 -6.558 6.294 5.129 1.00 0.00 C ATOM 1187 C SER A 83 -7.393 6.067 6.385 1.00 0.00 C ATOM 1188 O SER A 83 -8.170 6.924 6.808 1.00 0.00 O ATOM 1189 CB SER A 83 -5.162 6.790 5.512 1.00 0.00 C ATOM 1190 OG SER A 83 -5.208 7.583 6.686 1.00 0.00 O ATOM 0 H SER A 83 -6.832 8.196 4.291 1.00 0.00 H new ATOM 0 HA SER A 83 -6.466 5.346 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.500 5.938 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.742 7.372 4.692 1.00 0.00 H new ATOM 0 HG SER A 83 -5.753 8.380 6.521 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.230 4.885 6.998 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.308 3.858 6.504 1.00 0.00 C ATOM 1198 C PRO A 84 -6.788 3.228 5.201 1.00 0.00 C ATOM 1199 O PRO A 84 -7.985 3.199 4.917 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.298 2.820 7.628 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.607 2.996 8.318 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.933 4.460 8.220 1.00 0.00 C ATOM 0 HA PRO A 84 -5.324 4.268 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.191 1.810 7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.465 2.985 8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.381 2.391 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.545 2.679 9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.007 4.628 8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.585 5.009 9.095 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.846 2.722 4.411 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.172 2.092 3.138 1.00 0.00 C ATOM 1212 C PHE A 85 -6.084 0.572 3.244 1.00 0.00 C ATOM 1213 O PHE A 85 -4.995 0.010 3.356 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.231 2.593 2.040 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.334 4.071 1.792 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.358 4.586 1.014 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.406 4.944 2.336 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.454 5.946 0.783 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.497 6.305 2.109 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.523 6.806 1.332 1.00 0.00 C ATOM 0 H PHE A 85 -4.850 2.736 4.631 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.196 2.362 2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.204 2.349 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.450 2.061 1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.089 3.918 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.602 4.557 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.256 6.335 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.767 6.975 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.597 7.869 1.154 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.239 -0.085 3.209 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.292 -1.540 3.303 1.00 0.00 C ATOM 1232 C GLN A 86 -7.244 -2.177 1.918 1.00 0.00 C ATOM 1233 O GLN A 86 -7.814 -1.651 0.962 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.561 -1.978 4.036 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.428 -3.323 4.732 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.767 -3.992 4.971 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.227 -4.794 4.157 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.401 -3.665 6.091 1.00 0.00 N ATOM 0 H GLN A 86 -8.149 0.366 3.116 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.421 -1.875 3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.824 -1.221 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.384 -2.027 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.801 -3.979 4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.920 -3.185 5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.983 -2.996 6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.306 -4.083 6.305 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.561 -3.312 1.818 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.437 -4.020 0.549 1.00 0.00 C ATOM 1249 C PHE A 87 -6.218 -5.513 0.778 1.00 0.00 C ATOM 1250 O PHE A 87 -5.489 -5.913 1.686 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.281 -3.444 -0.271 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.927 -3.787 0.279 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.363 -5.030 0.043 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.216 -2.866 1.032 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.117 -5.349 0.548 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.969 -3.179 1.540 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.419 -4.421 1.297 1.00 0.00 C ATOM 0 H PHE A 87 -6.085 -3.761 2.600 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.367 -3.887 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.353 -3.813 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.382 -2.360 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.904 -5.759 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.641 -1.892 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.689 -6.322 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.426 -2.452 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.444 -4.667 1.692 1.00 0.00 H new ATOM 1267 N THR A 88 -6.856 -6.333 -0.051 1.00 0.00 N ATOM 1268 CA THR A 88 -6.734 -7.781 0.062 1.00 0.00 C ATOM 1269 C THR A 88 -5.767 -8.333 -0.980 1.00 0.00 C ATOM 1270 O THR A 88 -5.891 -8.046 -2.171 1.00 0.00 O ATOM 1271 CB THR A 88 -8.099 -8.475 -0.102 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.070 -7.852 0.745 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.998 -9.955 0.236 1.00 0.00 C ATOM 0 H THR A 88 -7.463 -6.019 -0.808 1.00 0.00 H new ATOM 0 HA THR A 88 -6.348 -7.989 1.060 1.00 0.00 H new ATOM 0 HB THR A 88 -8.409 -8.377 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.936 -8.298 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.974 -10.424 0.113 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.280 -10.432 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.668 -10.071 1.268 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.804 -9.128 -0.524 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.817 -9.723 -1.418 1.00 0.00 C ATOM 1283 C VAL A 89 -4.394 -10.931 -2.147 1.00 0.00 C ATOM 1284 O VAL A 89 -5.114 -11.738 -1.561 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.554 -10.155 -0.650 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.527 -10.748 -1.602 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.967 -8.979 0.115 1.00 0.00 C ATOM 0 H VAL A 89 -4.686 -9.375 0.459 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.547 -8.958 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.833 -10.924 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.641 -11.047 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.953 -11.619 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.250 -10.003 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.075 -9.303 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.702 -8.186 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.703 -8.604 0.827 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.071 -11.049 -3.432 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.565 -12.162 -4.222 1.00 0.00 C ATOM 1299 C GLY A 90 -3.450 -13.065 -4.711 1.00 0.00 C ATOM 1300 O GLY A 90 -2.360 -13.108 -4.140 1.00 0.00 O ATOM 0 H GLY A 90 -3.476 -10.394 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.265 -12.745 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.120 -11.778 -5.078 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.719 -13.811 -5.793 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.743 -14.732 -6.382 1.00 0.00 C ATOM 1306 C PRO A 91 -1.586 -14.000 -7.054 1.00 0.00 C ATOM 1307 O PRO A 91 -1.777 -12.954 -7.675 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.564 -15.501 -7.421 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.681 -14.583 -7.776 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.997 -13.811 -6.525 1.00 0.00 C ATOM 0 HA PRO A 91 -2.278 -15.368 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.963 -15.750 -8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.938 -16.440 -7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.393 -13.913 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.551 -15.142 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.331 -12.798 -6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.790 -14.287 -5.949 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.387 -14.556 -6.925 1.00 0.00 N ATOM 1319 CA LEU A 92 0.802 -13.956 -7.520 1.00 0.00 C ATOM 1320 C LEU A 92 0.649 -13.829 -9.032 1.00 0.00 C ATOM 1321 O LEU A 92 1.338 -13.034 -9.672 1.00 0.00 O ATOM 1322 CB LEU A 92 2.040 -14.792 -7.190 1.00 0.00 C ATOM 1323 CG LEU A 92 1.995 -16.257 -7.624 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.401 -16.789 -7.852 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.266 -17.099 -6.587 1.00 0.00 C ATOM 0 H LEU A 92 -0.212 -15.421 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 92 0.923 -12.958 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.906 -14.322 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.200 -14.758 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 92 1.447 -16.321 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.349 -17.833 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.889 -16.204 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.974 -16.712 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.244 -18.139 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.785 -17.029 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.246 -16.733 -6.473 1.00 0.00 H new