USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot -48:sc= 0.878 USER MOD Set 1.2: A 55 THR OG1 : rot -31:sc= 0.555 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00612 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -152:sc= -4.87! USER MOD Single : A 17 THR OG1 : rot 27:sc= 0.0909 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -142:sc= -1.39 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -128:sc= 0.332 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -150:sc= 1.2 (180deg=0.368) USER MOD Single : A 80 THR OG1 : rot -51:sc= 0.0187 USER MOD Single : A 81 TYR OH : rot 26:sc= 0.673 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 95 SER OG : rot -93:sc= -0.729 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -48:sc=1.14e-05 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.023 -18.743 -6.275 1.00 0.00 N ATOM 88 CA ASP A 10 -9.579 -17.713 -7.145 1.00 0.00 C ATOM 89 C ASP A 10 -9.336 -16.323 -6.567 1.00 0.00 C ATOM 90 O ASP A 10 -9.301 -16.145 -5.349 1.00 0.00 O ATOM 91 CB ASP A 10 -11.078 -17.940 -7.346 1.00 0.00 C ATOM 92 CG ASP A 10 -11.395 -19.355 -7.788 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.597 -19.931 -8.555 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.444 -19.888 -7.366 1.00 0.00 O ATOM 0 HA ASP A 10 -9.076 -17.778 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.603 -17.727 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.452 -17.237 -8.091 1.00 0.00 H new ATOM 99 N ALA A 11 -9.166 -15.342 -7.447 1.00 0.00 N ATOM 100 CA ALA A 11 -8.927 -13.968 -7.022 1.00 0.00 C ATOM 101 C ALA A 11 -10.239 -13.215 -6.836 1.00 0.00 C ATOM 102 O ALA A 11 -10.453 -12.561 -5.815 1.00 0.00 O ATOM 103 CB ALA A 11 -8.041 -13.251 -8.030 1.00 0.00 C ATOM 0 H ALA A 11 -9.189 -15.473 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.415 -13.994 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.871 -12.226 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.086 -13.770 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.531 -13.242 -9.004 1.00 0.00 H new ATOM 109 N SER A 12 -11.116 -13.308 -7.832 1.00 0.00 N ATOM 110 CA SER A 12 -12.406 -12.630 -7.780 1.00 0.00 C ATOM 111 C SER A 12 -13.042 -12.777 -6.401 1.00 0.00 C ATOM 112 O SER A 12 -13.606 -11.826 -5.861 1.00 0.00 O ATOM 113 CB SER A 12 -13.344 -13.193 -8.849 1.00 0.00 C ATOM 114 OG SER A 12 -13.624 -14.562 -8.614 1.00 0.00 O ATOM 0 H SER A 12 -10.956 -13.846 -8.684 1.00 0.00 H new ATOM 0 HA SER A 12 -12.240 -11.570 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.274 -12.625 -8.857 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.891 -13.075 -9.833 1.00 0.00 H new ATOM 0 HG SER A 12 -14.227 -14.897 -9.310 1.00 0.00 H new ATOM 120 N LYS A 13 -12.946 -13.976 -5.837 1.00 0.00 N ATOM 121 CA LYS A 13 -13.509 -14.250 -4.521 1.00 0.00 C ATOM 122 C LYS A 13 -12.778 -13.460 -3.440 1.00 0.00 C ATOM 123 O LYS A 13 -13.374 -13.058 -2.440 1.00 0.00 O ATOM 124 CB LYS A 13 -13.434 -15.747 -4.213 1.00 0.00 C ATOM 125 CG LYS A 13 -14.106 -16.619 -5.260 1.00 0.00 C ATOM 126 CD LYS A 13 -15.615 -16.441 -5.248 1.00 0.00 C ATOM 127 CE LYS A 13 -16.275 -17.353 -4.226 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.654 -17.739 -4.636 1.00 0.00 N ATOM 0 H LYS A 13 -12.483 -14.774 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.554 -13.939 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.388 -16.039 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.898 -15.934 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.717 -16.369 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.861 -17.665 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.858 -15.403 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.015 -16.653 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.670 -18.250 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.311 -16.850 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.070 -18.361 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.239 -16.885 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.618 -18.242 -5.546 1.00 0.00 H new ATOM 142 N CYS A 14 -11.485 -13.241 -3.648 1.00 0.00 N ATOM 143 CA CYS A 14 -10.671 -12.498 -2.692 1.00 0.00 C ATOM 144 C CYS A 14 -11.181 -11.069 -2.539 1.00 0.00 C ATOM 145 O CYS A 14 -11.402 -10.368 -3.527 1.00 0.00 O ATOM 146 CB CYS A 14 -9.208 -12.486 -3.135 1.00 0.00 C ATOM 147 SG CYS A 14 -8.475 -14.130 -3.310 1.00 0.00 S ATOM 0 H CYS A 14 -10.977 -13.567 -4.470 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.745 -12.996 -1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.133 -11.963 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.625 -11.915 -2.412 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.193 -14.058 -3.104 1.00 0.00 H new ATOM 153 N LEU A 15 -11.369 -10.643 -1.295 1.00 0.00 N ATOM 154 CA LEU A 15 -11.855 -9.297 -1.012 1.00 0.00 C ATOM 155 C LEU A 15 -10.808 -8.488 -0.253 1.00 0.00 C ATOM 156 O LEU A 15 -10.058 -9.032 0.558 1.00 0.00 O ATOM 157 CB LEU A 15 -13.152 -9.362 -0.202 1.00 0.00 C ATOM 158 CG LEU A 15 -14.316 -10.103 -0.859 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.547 -10.063 0.034 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.627 -9.506 -2.224 1.00 0.00 C ATOM 0 H LEU A 15 -11.192 -11.210 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.051 -8.801 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.936 -9.840 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.472 -8.343 0.016 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.026 -11.144 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.365 -10.596 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.320 -10.538 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.839 -9.027 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.458 -10.046 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.896 -8.456 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.749 -9.587 -2.865 1.00 0.00 H new ATOM 172 N ALA A 16 -10.765 -7.187 -0.519 1.00 0.00 N ATOM 173 CA ALA A 16 -9.813 -6.303 0.141 1.00 0.00 C ATOM 174 C ALA A 16 -10.533 -5.233 0.957 1.00 0.00 C ATOM 175 O ALA A 16 -11.175 -4.342 0.402 1.00 0.00 O ATOM 176 CB ALA A 16 -8.893 -5.657 -0.884 1.00 0.00 C ATOM 0 H ALA A 16 -11.379 -6.722 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.212 -6.903 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.187 -4.999 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.345 -6.432 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.486 -5.076 -1.590 1.00 0.00 H new ATOM 182 N THR A 17 -10.421 -5.329 2.279 1.00 0.00 N ATOM 183 CA THR A 17 -11.062 -4.370 3.170 1.00 0.00 C ATOM 184 C THR A 17 -10.031 -3.620 4.004 1.00 0.00 C ATOM 185 O THR A 17 -9.188 -4.228 4.661 1.00 0.00 O ATOM 186 CB THR A 17 -12.062 -5.064 4.115 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.416 -6.137 4.810 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.256 -5.601 3.339 1.00 0.00 C ATOM 0 H THR A 17 -9.893 -6.060 2.755 1.00 0.00 H new ATOM 0 HA THR A 17 -11.599 -3.662 2.539 1.00 0.00 H new ATOM 0 HB THR A 17 -12.418 -4.328 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.457 -5.948 4.884 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.948 -6.087 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.763 -4.778 2.835 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.913 -6.324 2.598 1.00 0.00 H new ATOM 196 N GLY A 18 -10.103 -2.292 3.971 1.00 0.00 N ATOM 197 CA GLY A 18 -9.169 -1.480 4.730 1.00 0.00 C ATOM 198 C GLY A 18 -9.178 -0.029 4.295 1.00 0.00 C ATOM 199 O GLY A 18 -9.540 0.302 3.165 1.00 0.00 O ATOM 0 H GLY A 18 -10.791 -1.765 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.417 -1.540 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.163 -1.885 4.615 1.00 0.00 H new ATOM 203 N PRO A 19 -8.773 0.869 5.206 1.00 0.00 N ATOM 204 CA PRO A 19 -8.728 2.309 4.934 1.00 0.00 C ATOM 205 C PRO A 19 -7.631 2.677 3.941 1.00 0.00 C ATOM 206 O PRO A 19 -7.723 3.688 3.246 1.00 0.00 O ATOM 207 CB PRO A 19 -8.434 2.921 6.306 1.00 0.00 C ATOM 208 CG PRO A 19 -7.737 1.841 7.060 1.00 0.00 C ATOM 209 CD PRO A 19 -8.328 0.548 6.572 1.00 0.00 C ATOM 0 HA PRO A 19 -9.653 2.667 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.809 3.809 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.352 3.226 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.662 1.871 6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.885 1.957 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.593 -0.257 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.158 0.224 7.199 1.00 0.00 H new ATOM 217 N GLY A 20 -6.593 1.849 3.878 1.00 0.00 N ATOM 218 CA GLY A 20 -5.494 2.105 2.966 1.00 0.00 C ATOM 219 C GLY A 20 -5.926 2.075 1.514 1.00 0.00 C ATOM 220 O GLY A 20 -5.433 2.854 0.697 1.00 0.00 O ATOM 0 H GLY A 20 -6.494 1.005 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.058 3.078 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.713 1.361 3.125 1.00 0.00 H new ATOM 224 N ILE A 21 -6.848 1.174 1.191 1.00 0.00 N ATOM 225 CA ILE A 21 -7.346 1.047 -0.173 1.00 0.00 C ATOM 226 C ILE A 21 -8.538 1.967 -0.412 1.00 0.00 C ATOM 227 O ILE A 21 -9.265 1.817 -1.394 1.00 0.00 O ATOM 228 CB ILE A 21 -7.760 -0.403 -0.488 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.927 -0.829 0.405 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.578 -1.342 -0.307 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.636 -2.074 -0.080 1.00 0.00 C ATOM 0 H ILE A 21 -7.265 0.522 1.855 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.529 1.336 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.085 -0.455 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.556 -1.002 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.645 -0.011 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.886 -2.363 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.773 -1.048 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.226 -1.289 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.452 -2.317 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.037 -1.899 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.931 -2.905 -0.113 1.00 0.00 H new ATOM 243 N ALA A 22 -8.732 2.923 0.493 1.00 0.00 N ATOM 244 CA ALA A 22 -9.834 3.870 0.379 1.00 0.00 C ATOM 245 C ALA A 22 -9.656 4.775 -0.836 1.00 0.00 C ATOM 246 O ALA A 22 -8.561 5.273 -1.096 1.00 0.00 O ATOM 247 CB ALA A 22 -9.947 4.702 1.647 1.00 0.00 C ATOM 0 H ALA A 22 -8.140 3.061 1.312 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.756 3.304 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.774 5.405 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.128 4.045 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.020 5.253 1.805 1.00 0.00 H new ATOM 253 N SER A 23 -10.740 4.983 -1.578 1.00 0.00 N ATOM 254 CA SER A 23 -10.702 5.824 -2.768 1.00 0.00 C ATOM 255 C SER A 23 -9.750 7.000 -2.571 1.00 0.00 C ATOM 256 O SER A 23 -8.985 7.353 -3.469 1.00 0.00 O ATOM 257 CB SER A 23 -12.104 6.337 -3.099 1.00 0.00 C ATOM 258 OG SER A 23 -12.053 7.372 -4.067 1.00 0.00 O ATOM 0 H SER A 23 -11.655 4.580 -1.375 1.00 0.00 H new ATOM 0 HA SER A 23 -10.338 5.220 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.717 5.516 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.583 6.706 -2.192 1.00 0.00 H new ATOM 0 HG SER A 23 -12.962 7.682 -4.263 1.00 0.00 H new ATOM 264 N THR A 24 -9.804 7.606 -1.389 1.00 0.00 N ATOM 265 CA THR A 24 -8.949 8.743 -1.072 1.00 0.00 C ATOM 266 C THR A 24 -8.393 8.637 0.342 1.00 0.00 C ATOM 267 O THR A 24 -9.096 8.234 1.268 1.00 0.00 O ATOM 268 CB THR A 24 -9.711 10.075 -1.214 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.821 10.102 -0.310 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.205 10.267 -2.639 1.00 0.00 C ATOM 0 H THR A 24 -10.432 7.328 -0.635 1.00 0.00 H new ATOM 0 HA THR A 24 -8.124 8.726 -1.785 1.00 0.00 H new ATOM 0 HB THR A 24 -9.026 10.888 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.299 10.952 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.740 11.214 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.355 10.275 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.875 9.450 -2.905 1.00 0.00 H new ATOM 278 N VAL A 25 -7.125 9.001 0.504 1.00 0.00 N ATOM 279 CA VAL A 25 -6.474 8.950 1.808 1.00 0.00 C ATOM 280 C VAL A 25 -5.658 10.211 2.066 1.00 0.00 C ATOM 281 O VAL A 25 -5.587 11.102 1.220 1.00 0.00 O ATOM 282 CB VAL A 25 -5.552 7.721 1.925 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.347 6.437 1.747 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.423 7.805 0.909 1.00 0.00 C ATOM 0 H VAL A 25 -6.527 9.335 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.265 8.875 2.554 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.113 7.711 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.679 5.580 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.116 6.376 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.817 6.433 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.781 6.929 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.841 7.840 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.837 8.706 1.090 1.00 0.00 H new ATOM 294 N LYS A 26 -5.042 10.280 3.241 1.00 0.00 N ATOM 295 CA LYS A 26 -4.228 11.431 3.612 1.00 0.00 C ATOM 296 C LYS A 26 -2.742 11.107 3.496 1.00 0.00 C ATOM 297 O LYS A 26 -2.348 9.940 3.499 1.00 0.00 O ATOM 298 CB LYS A 26 -4.554 11.873 5.041 1.00 0.00 C ATOM 299 CG LYS A 26 -5.922 12.520 5.180 1.00 0.00 C ATOM 300 CD LYS A 26 -6.201 12.931 6.616 1.00 0.00 C ATOM 301 CE LYS A 26 -7.690 12.910 6.922 1.00 0.00 C ATOM 302 NZ LYS A 26 -8.388 14.102 6.363 1.00 0.00 N ATOM 0 H LYS A 26 -5.091 9.552 3.953 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.459 12.244 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.502 11.007 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.793 12.577 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.979 13.395 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.691 11.824 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.679 12.258 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.806 13.932 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.133 12.003 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.839 12.875 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.401 14.051 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.983 14.967 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.268 14.122 5.330 1.00 0.00 H new ATOM 316 N THR A 27 -1.919 12.147 3.397 1.00 0.00 N ATOM 317 CA THR A 27 -0.478 11.973 3.281 1.00 0.00 C ATOM 318 C THR A 27 0.192 11.999 4.650 1.00 0.00 C ATOM 319 O THR A 27 -0.352 12.549 5.607 1.00 0.00 O ATOM 320 CB THR A 27 0.150 13.065 2.394 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.310 14.357 2.809 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.199 12.842 0.930 1.00 0.00 C ATOM 0 H THR A 27 -2.228 13.119 3.395 1.00 0.00 H new ATOM 0 HA THR A 27 -0.314 11.000 2.818 1.00 0.00 H new ATOM 0 HB THR A 27 1.233 13.013 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.095 15.046 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.256 13.626 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.178 11.871 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.282 12.870 0.806 1.00 0.00 H new ATOM 330 N GLY A 28 1.376 11.401 4.737 1.00 0.00 N ATOM 331 CA GLY A 28 2.100 11.368 5.993 1.00 0.00 C ATOM 332 C GLY A 28 1.604 10.275 6.919 1.00 0.00 C ATOM 333 O GLY A 28 2.395 9.633 7.612 1.00 0.00 O ATOM 0 H GLY A 28 1.847 10.939 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.161 11.217 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.003 12.333 6.490 1.00 0.00 H new ATOM 337 N GLU A 29 0.292 10.062 6.934 1.00 0.00 N ATOM 338 CA GLU A 29 -0.308 9.041 7.785 1.00 0.00 C ATOM 339 C GLU A 29 -0.045 7.646 7.225 1.00 0.00 C ATOM 340 O GLU A 29 0.187 7.479 6.028 1.00 0.00 O ATOM 341 CB GLU A 29 -1.814 9.275 7.916 1.00 0.00 C ATOM 342 CG GLU A 29 -2.567 9.144 6.604 1.00 0.00 C ATOM 343 CD GLU A 29 -4.000 8.682 6.797 1.00 0.00 C ATOM 344 OE1 GLU A 29 -4.744 9.356 7.538 1.00 0.00 O ATOM 345 OE2 GLU A 29 -4.374 7.648 6.206 1.00 0.00 O ATOM 0 H GLU A 29 -0.376 10.583 6.366 1.00 0.00 H new ATOM 0 HA GLU A 29 0.149 9.111 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.223 8.562 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.984 10.271 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.565 10.106 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.045 8.437 5.959 1.00 0.00 H new ATOM 352 N GLU A 30 -0.085 6.646 8.102 1.00 0.00 N ATOM 353 CA GLU A 30 0.150 5.265 7.696 1.00 0.00 C ATOM 354 C GLU A 30 -1.149 4.464 7.716 1.00 0.00 C ATOM 355 O GLU A 30 -1.773 4.300 8.764 1.00 0.00 O ATOM 356 CB GLU A 30 1.182 4.609 8.615 1.00 0.00 C ATOM 357 CG GLU A 30 1.522 3.180 8.224 1.00 0.00 C ATOM 358 CD GLU A 30 2.488 2.525 9.193 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.576 3.093 9.422 1.00 0.00 O ATOM 360 OE2 GLU A 30 2.155 1.444 9.722 1.00 0.00 O ATOM 0 H GLU A 30 -0.278 6.767 9.096 1.00 0.00 H new ATOM 0 HA GLU A 30 0.536 5.273 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.094 5.206 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.804 4.617 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.605 2.592 8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.956 3.174 7.224 1.00 0.00 H new ATOM 367 N VAL A 31 -1.550 3.968 6.551 1.00 0.00 N ATOM 368 CA VAL A 31 -2.773 3.184 6.434 1.00 0.00 C ATOM 369 C VAL A 31 -2.508 1.707 6.710 1.00 0.00 C ATOM 370 O VAL A 31 -1.360 1.283 6.825 1.00 0.00 O ATOM 371 CB VAL A 31 -3.402 3.328 5.035 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.952 4.732 4.839 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.383 2.992 3.957 1.00 0.00 C ATOM 0 H VAL A 31 -1.045 4.095 5.674 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.469 3.571 7.178 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.230 2.624 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.392 4.815 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.715 4.932 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.144 5.457 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.844 3.099 2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.534 3.671 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.040 1.965 4.087 1.00 0.00 H new ATOM 383 N GLY A 32 -3.580 0.929 6.815 1.00 0.00 N ATOM 384 CA GLY A 32 -3.443 -0.492 7.076 1.00 0.00 C ATOM 385 C GLY A 32 -4.650 -1.285 6.617 1.00 0.00 C ATOM 386 O GLY A 32 -5.695 -1.272 7.270 1.00 0.00 O ATOM 0 H GLY A 32 -4.541 1.257 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.553 -0.867 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.294 -0.649 8.144 1.00 0.00 H new ATOM 390 N PHE A 33 -4.509 -1.978 5.492 1.00 0.00 N ATOM 391 CA PHE A 33 -5.599 -2.778 4.946 1.00 0.00 C ATOM 392 C PHE A 33 -5.247 -4.264 4.970 1.00 0.00 C ATOM 393 O PHE A 33 -4.074 -4.636 4.939 1.00 0.00 O ATOM 394 CB PHE A 33 -5.914 -2.341 3.513 1.00 0.00 C ATOM 395 CG PHE A 33 -4.812 -2.644 2.539 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.768 -1.752 2.353 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.821 -3.821 1.807 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.752 -2.029 1.457 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.808 -4.102 0.909 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.773 -3.205 0.733 1.00 0.00 C ATOM 0 H PHE A 33 -3.651 -2.002 4.941 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.480 -2.620 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.827 -2.837 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.112 -1.269 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.748 -0.830 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.628 -4.526 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.943 -1.326 1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.826 -5.023 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.982 -3.423 0.031 1.00 0.00 H new ATOM 410 N VAL A 34 -6.274 -5.107 5.026 1.00 0.00 N ATOM 411 CA VAL A 34 -6.074 -6.551 5.055 1.00 0.00 C ATOM 412 C VAL A 34 -7.064 -7.261 4.137 1.00 0.00 C ATOM 413 O VAL A 34 -8.221 -6.854 4.021 1.00 0.00 O ATOM 414 CB VAL A 34 -6.222 -7.111 6.482 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.542 -6.668 7.095 1.00 0.00 C ATOM 416 CG2 VAL A 34 -6.111 -8.628 6.474 1.00 0.00 C ATOM 0 H VAL A 34 -7.251 -4.815 5.052 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.059 -6.737 4.704 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.413 -6.714 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.629 -7.073 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.576 -5.579 7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.368 -7.034 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.218 -9.006 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.898 -9.047 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.138 -8.920 6.079 1.00 0.00 H new ATOM 426 N VAL A 35 -6.603 -8.325 3.488 1.00 0.00 N ATOM 427 CA VAL A 35 -7.449 -9.093 2.581 1.00 0.00 C ATOM 428 C VAL A 35 -8.141 -10.237 3.313 1.00 0.00 C ATOM 429 O VAL A 35 -7.504 -11.000 4.037 1.00 0.00 O ATOM 430 CB VAL A 35 -6.634 -9.667 1.406 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.440 -10.725 0.667 1.00 0.00 C ATOM 432 CG2 VAL A 35 -6.206 -8.555 0.461 1.00 0.00 C ATOM 0 H VAL A 35 -5.649 -8.675 3.573 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.201 -8.408 2.191 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.736 -10.139 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.850 -11.120 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.692 -11.534 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.356 -10.279 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.632 -8.979 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.089 -8.052 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.590 -7.836 1.001 1.00 0.00 H new ATOM 442 N ASP A 36 -9.450 -10.349 3.117 1.00 0.00 N ATOM 443 CA ASP A 36 -10.231 -11.401 3.758 1.00 0.00 C ATOM 444 C ASP A 36 -10.490 -12.551 2.789 1.00 0.00 C ATOM 445 O ASP A 36 -10.968 -12.341 1.674 1.00 0.00 O ATOM 446 CB ASP A 36 -11.559 -10.841 4.271 1.00 0.00 C ATOM 447 CG ASP A 36 -12.053 -11.565 5.507 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.318 -11.586 6.517 1.00 0.00 O ATOM 449 OD2 ASP A 36 -13.176 -12.109 5.467 1.00 0.00 O ATOM 0 H ASP A 36 -9.993 -9.725 2.520 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.657 -11.782 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.440 -9.781 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.310 -10.917 3.485 1.00 0.00 H new ATOM 454 N ALA A 37 -10.173 -13.766 3.223 1.00 0.00 N ATOM 455 CA ALA A 37 -10.372 -14.950 2.395 1.00 0.00 C ATOM 456 C ALA A 37 -11.123 -16.034 3.159 1.00 0.00 C ATOM 457 O ALA A 37 -10.719 -16.432 4.252 1.00 0.00 O ATOM 458 CB ALA A 37 -9.034 -15.479 1.901 1.00 0.00 C ATOM 0 H ALA A 37 -9.777 -13.957 4.143 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.977 -14.664 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.197 -16.363 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.535 -14.711 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.409 -15.743 2.755 1.00 0.00 H new ATOM 464 N LYS A 38 -12.221 -16.509 2.578 1.00 0.00 N ATOM 465 CA LYS A 38 -13.029 -17.548 3.204 1.00 0.00 C ATOM 466 C LYS A 38 -13.241 -18.720 2.250 1.00 0.00 C ATOM 467 O LYS A 38 -13.092 -19.881 2.634 1.00 0.00 O ATOM 468 CB LYS A 38 -14.382 -16.979 3.638 1.00 0.00 C ATOM 469 CG LYS A 38 -15.116 -16.244 2.530 1.00 0.00 C ATOM 470 CD LYS A 38 -16.373 -15.565 3.048 1.00 0.00 C ATOM 471 CE LYS A 38 -16.056 -14.232 3.709 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.213 -13.297 3.656 1.00 0.00 N ATOM 0 H LYS A 38 -12.571 -16.190 1.674 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.495 -17.909 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.010 -17.793 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.229 -16.298 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.455 -15.499 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.380 -16.946 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.068 -15.407 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.871 -16.218 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.773 -14.400 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.198 -13.776 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.956 -12.401 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.468 -13.116 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.024 -13.720 4.150 1.00 0.00 H new ATOM 486 N THR A 39 -13.587 -18.409 1.005 1.00 0.00 N ATOM 487 CA THR A 39 -13.819 -19.436 -0.003 1.00 0.00 C ATOM 488 C THR A 39 -12.789 -19.349 -1.123 1.00 0.00 C ATOM 489 O THR A 39 -12.495 -20.342 -1.787 1.00 0.00 O ATOM 490 CB THR A 39 -15.231 -19.321 -0.608 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.425 -20.340 -1.595 1.00 0.00 O ATOM 492 CG2 THR A 39 -15.439 -17.951 -1.238 1.00 0.00 C ATOM 0 H THR A 39 -13.713 -17.454 0.670 1.00 0.00 H new ATOM 0 HA THR A 39 -13.725 -20.399 0.499 1.00 0.00 H new ATOM 0 HB THR A 39 -15.958 -19.449 0.194 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.325 -20.261 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.443 -17.893 -1.659 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.319 -17.179 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.705 -17.799 -2.029 1.00 0.00 H new ATOM 500 N ALA A 40 -12.244 -18.155 -1.327 1.00 0.00 N ATOM 501 CA ALA A 40 -11.244 -17.939 -2.366 1.00 0.00 C ATOM 502 C ALA A 40 -10.331 -19.151 -2.509 1.00 0.00 C ATOM 503 O ALA A 40 -9.910 -19.497 -3.612 1.00 0.00 O ATOM 504 CB ALA A 40 -10.426 -16.692 -2.061 1.00 0.00 C ATOM 0 H ALA A 40 -12.478 -17.322 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.765 -17.796 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.683 -16.543 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.086 -15.826 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.922 -16.813 -1.102 1.00 0.00 H new ATOM 510 N GLY A 41 -10.027 -19.795 -1.385 1.00 0.00 N ATOM 511 CA GLY A 41 -9.165 -20.961 -1.408 1.00 0.00 C ATOM 512 C GLY A 41 -7.778 -20.668 -0.870 1.00 0.00 C ATOM 513 O GLY A 41 -7.598 -19.759 -0.058 1.00 0.00 O ATOM 0 H GLY A 41 -10.363 -19.529 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.620 -21.757 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.084 -21.329 -2.431 1.00 0.00 H new ATOM 517 N LYS A 42 -6.795 -21.439 -1.322 1.00 0.00 N ATOM 518 CA LYS A 42 -5.417 -21.258 -0.881 1.00 0.00 C ATOM 519 C LYS A 42 -4.629 -20.426 -1.888 1.00 0.00 C ATOM 520 O LYS A 42 -4.737 -20.629 -3.096 1.00 0.00 O ATOM 521 CB LYS A 42 -4.740 -22.616 -0.685 1.00 0.00 C ATOM 522 CG LYS A 42 -3.643 -22.604 0.366 1.00 0.00 C ATOM 523 CD LYS A 42 -2.954 -23.953 0.468 1.00 0.00 C ATOM 524 CE LYS A 42 -3.701 -24.893 1.403 1.00 0.00 C ATOM 525 NZ LYS A 42 -3.237 -24.758 2.811 1.00 0.00 N ATOM 0 H LYS A 42 -6.927 -22.195 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.433 -20.726 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.494 -23.351 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.317 -22.942 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.909 -21.837 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.068 -22.337 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.885 -24.403 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.934 -23.815 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.769 -24.684 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.561 -25.922 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.770 -25.415 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.223 -24.982 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.394 -23.783 3.136 1.00 0.00 H new ATOM 539 N GLY A 43 -3.833 -19.490 -1.381 1.00 0.00 N ATOM 540 CA GLY A 43 -3.037 -18.642 -2.250 1.00 0.00 C ATOM 541 C GLY A 43 -2.408 -17.479 -1.508 1.00 0.00 C ATOM 542 O GLY A 43 -2.889 -17.074 -0.449 1.00 0.00 O ATOM 0 H GLY A 43 -3.725 -19.303 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.253 -19.239 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.666 -18.259 -3.054 1.00 0.00 H new ATOM 546 N LYS A 44 -1.327 -16.941 -2.063 1.00 0.00 N ATOM 547 CA LYS A 44 -0.630 -15.817 -1.449 1.00 0.00 C ATOM 548 C LYS A 44 -1.056 -14.498 -2.084 1.00 0.00 C ATOM 549 O LYS A 44 -1.470 -14.461 -3.243 1.00 0.00 O ATOM 550 CB LYS A 44 0.884 -15.994 -1.584 1.00 0.00 C ATOM 551 CG LYS A 44 1.453 -17.078 -0.685 1.00 0.00 C ATOM 552 CD LYS A 44 2.972 -17.089 -0.715 1.00 0.00 C ATOM 553 CE LYS A 44 3.500 -17.889 -1.896 1.00 0.00 C ATOM 554 NZ LYS A 44 4.987 -17.959 -1.898 1.00 0.00 N ATOM 0 H LYS A 44 -0.914 -17.266 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.895 -15.793 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.122 -16.232 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.374 -15.048 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.110 -16.921 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.075 -18.050 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.343 -16.066 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.352 -17.515 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.089 -18.898 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.157 -17.434 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.307 -18.512 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.380 -16.998 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.314 -18.416 -1.023 1.00 0.00 H new ATOM 568 N VAL A 45 -0.953 -13.416 -1.318 1.00 0.00 N ATOM 569 CA VAL A 45 -1.326 -12.094 -1.808 1.00 0.00 C ATOM 570 C VAL A 45 -0.162 -11.116 -1.688 1.00 0.00 C ATOM 571 O VAL A 45 0.321 -10.839 -0.590 1.00 0.00 O ATOM 572 CB VAL A 45 -2.536 -11.532 -1.039 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.933 -10.172 -1.590 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.705 -12.504 -1.101 1.00 0.00 C ATOM 0 H VAL A 45 -0.614 -13.429 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.594 -12.209 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.254 -11.406 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.790 -9.790 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.097 -9.480 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.197 -10.269 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.551 -12.091 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.990 -12.664 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.412 -13.454 -0.654 1.00 0.00 H new ATOM 584 N THR A 46 0.283 -10.594 -2.827 1.00 0.00 N ATOM 585 CA THR A 46 1.390 -9.646 -2.851 1.00 0.00 C ATOM 586 C THR A 46 0.891 -8.223 -3.074 1.00 0.00 C ATOM 587 O THR A 46 -0.069 -8.001 -3.811 1.00 0.00 O ATOM 588 CB THR A 46 2.409 -9.999 -3.952 1.00 0.00 C ATOM 589 OG1 THR A 46 1.761 -10.018 -5.229 1.00 0.00 O ATOM 590 CG2 THR A 46 3.049 -11.353 -3.682 1.00 0.00 C ATOM 0 H THR A 46 -0.106 -10.812 -3.744 1.00 0.00 H new ATOM 0 HA THR A 46 1.880 -9.708 -1.879 1.00 0.00 H new ATOM 0 HB THR A 46 3.190 -9.239 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.415 -10.241 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.765 -11.581 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.564 -11.327 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.277 -12.122 -3.659 1.00 0.00 H new ATOM 598 N CYS A 47 1.549 -7.263 -2.433 1.00 0.00 N ATOM 599 CA CYS A 47 1.171 -5.860 -2.562 1.00 0.00 C ATOM 600 C CYS A 47 2.314 -5.043 -3.156 1.00 0.00 C ATOM 601 O CYS A 47 3.485 -5.290 -2.870 1.00 0.00 O ATOM 602 CB CYS A 47 0.775 -5.291 -1.199 1.00 0.00 C ATOM 603 SG CYS A 47 0.409 -3.520 -1.218 1.00 0.00 S ATOM 0 H CYS A 47 2.346 -7.430 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 47 0.316 -5.798 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.100 -5.828 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.582 -5.477 -0.491 1.00 0.00 H new ATOM 0 HG CYS A 47 0.857 -2.973 -0.127 1.00 0.00 H new ATOM 609 N THR A 48 1.965 -4.066 -3.989 1.00 0.00 N ATOM 610 CA THR A 48 2.960 -3.214 -4.627 1.00 0.00 C ATOM 611 C THR A 48 2.471 -1.772 -4.718 1.00 0.00 C ATOM 612 O THR A 48 1.590 -1.455 -5.518 1.00 0.00 O ATOM 613 CB THR A 48 3.308 -3.717 -6.040 1.00 0.00 C ATOM 614 OG1 THR A 48 3.685 -5.097 -5.990 1.00 0.00 O ATOM 615 CG2 THR A 48 4.439 -2.898 -6.643 1.00 0.00 C ATOM 0 H THR A 48 1.000 -3.846 -4.237 1.00 0.00 H new ATOM 0 HA THR A 48 3.855 -3.253 -4.006 1.00 0.00 H new ATOM 0 HB THR A 48 2.425 -3.605 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.903 -5.409 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.667 -3.272 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.137 -1.853 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.325 -2.982 -6.013 1.00 0.00 H new ATOM 623 N VAL A 49 3.049 -0.903 -3.895 1.00 0.00 N ATOM 624 CA VAL A 49 2.673 0.506 -3.886 1.00 0.00 C ATOM 625 C VAL A 49 3.415 1.280 -4.970 1.00 0.00 C ATOM 626 O VAL A 49 4.636 1.432 -4.915 1.00 0.00 O ATOM 627 CB VAL A 49 2.962 1.153 -2.518 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.543 2.615 -2.521 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.257 0.391 -1.408 1.00 0.00 C ATOM 0 H VAL A 49 3.779 -1.149 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 49 1.602 0.550 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 49 4.035 1.107 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.754 3.056 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.099 3.151 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.475 2.687 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.473 0.862 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.181 0.403 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.611 -0.640 -1.393 1.00 0.00 H new ATOM 639 N LEU A 50 2.669 1.769 -5.954 1.00 0.00 N ATOM 640 CA LEU A 50 3.255 2.529 -7.052 1.00 0.00 C ATOM 641 C LEU A 50 3.125 4.030 -6.807 1.00 0.00 C ATOM 642 O LEU A 50 2.048 4.524 -6.474 1.00 0.00 O ATOM 643 CB LEU A 50 2.580 2.157 -8.373 1.00 0.00 C ATOM 644 CG LEU A 50 3.443 2.285 -9.628 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.782 3.744 -9.897 1.00 0.00 C ATOM 646 CD2 LEU A 50 4.714 1.459 -9.488 1.00 0.00 C ATOM 0 H LEU A 50 1.657 1.653 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 50 4.314 2.279 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.229 1.127 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.699 2.786 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 50 2.875 1.902 -10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.397 3.815 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.862 4.311 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.330 4.153 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.316 1.562 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.285 1.812 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.453 0.411 -9.344 1.00 0.00 H new ATOM 658 N THR A 51 4.230 4.749 -6.974 1.00 0.00 N ATOM 659 CA THR A 51 4.241 6.192 -6.772 1.00 0.00 C ATOM 660 C THR A 51 3.899 6.931 -8.061 1.00 0.00 C ATOM 661 O THR A 51 4.181 6.465 -9.165 1.00 0.00 O ATOM 662 CB THR A 51 5.611 6.678 -6.263 1.00 0.00 C ATOM 663 OG1 THR A 51 6.577 6.614 -7.318 1.00 0.00 O ATOM 664 CG2 THR A 51 6.080 5.836 -5.085 1.00 0.00 C ATOM 0 H THR A 51 5.130 4.355 -7.249 1.00 0.00 H new ATOM 0 HA THR A 51 3.484 6.411 -6.019 1.00 0.00 H new ATOM 0 HB THR A 51 5.506 7.711 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.530 5.737 -7.752 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.050 6.198 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.357 5.912 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.170 4.795 -5.395 1.00 0.00 H new ATOM 672 N PRO A 52 3.278 8.112 -7.921 1.00 0.00 N ATOM 673 CA PRO A 52 2.886 8.940 -9.064 1.00 0.00 C ATOM 674 C PRO A 52 4.088 9.546 -9.780 1.00 0.00 C ATOM 675 O PRO A 52 3.934 10.308 -10.735 1.00 0.00 O ATOM 676 CB PRO A 52 2.031 10.039 -8.429 1.00 0.00 C ATOM 677 CG PRO A 52 2.509 10.124 -7.021 1.00 0.00 C ATOM 678 CD PRO A 52 2.911 8.728 -6.635 1.00 0.00 C ATOM 0 HA PRO A 52 2.364 8.362 -9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.158 10.989 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.971 9.791 -8.473 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.352 10.810 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.724 10.500 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.748 8.729 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.093 8.193 -6.152 1.00 0.00 H new ATOM 686 N ASP A 53 5.283 9.204 -9.313 1.00 0.00 N ATOM 687 CA ASP A 53 6.512 9.715 -9.909 1.00 0.00 C ATOM 688 C ASP A 53 6.983 8.808 -11.043 1.00 0.00 C ATOM 689 O ASP A 53 7.674 9.250 -11.959 1.00 0.00 O ATOM 690 CB ASP A 53 7.607 9.835 -8.848 1.00 0.00 C ATOM 691 CG ASP A 53 7.565 11.164 -8.121 1.00 0.00 C ATOM 692 OD1 ASP A 53 8.122 12.147 -8.650 1.00 0.00 O ATOM 693 OD2 ASP A 53 6.974 11.221 -7.021 1.00 0.00 O ATOM 0 H ASP A 53 5.427 8.575 -8.523 1.00 0.00 H new ATOM 0 HA ASP A 53 6.305 10.703 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.499 9.026 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.582 9.713 -9.321 1.00 0.00 H new ATOM 698 N GLY A 54 6.603 7.536 -10.974 1.00 0.00 N ATOM 699 CA GLY A 54 6.996 6.586 -11.999 1.00 0.00 C ATOM 700 C GLY A 54 7.855 5.464 -11.452 1.00 0.00 C ATOM 701 O GLY A 54 8.567 4.794 -12.201 1.00 0.00 O ATOM 0 H GLY A 54 6.030 7.146 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.103 6.164 -12.460 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.543 7.109 -12.784 1.00 0.00 H new ATOM 705 N THR A 55 7.791 5.257 -10.140 1.00 0.00 N ATOM 706 CA THR A 55 8.570 4.210 -9.492 1.00 0.00 C ATOM 707 C THR A 55 7.700 3.371 -8.564 1.00 0.00 C ATOM 708 O THR A 55 6.591 3.771 -8.209 1.00 0.00 O ATOM 709 CB THR A 55 9.742 4.800 -8.686 1.00 0.00 C ATOM 710 OG1 THR A 55 9.244 5.524 -7.555 1.00 0.00 O ATOM 711 CG2 THR A 55 10.587 5.721 -9.552 1.00 0.00 C ATOM 0 H THR A 55 7.207 5.802 -9.505 1.00 0.00 H new ATOM 0 HA THR A 55 8.967 3.575 -10.284 1.00 0.00 H new ATOM 0 HB THR A 55 10.368 3.976 -8.343 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.370 5.910 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.408 6.125 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.989 5.160 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.970 6.539 -9.923 1.00 0.00 H new ATOM 719 N GLU A 56 8.210 2.207 -8.173 1.00 0.00 N ATOM 720 CA GLU A 56 7.477 1.313 -7.284 1.00 0.00 C ATOM 721 C GLU A 56 8.183 1.187 -5.937 1.00 0.00 C ATOM 722 O GLU A 56 9.395 1.377 -5.838 1.00 0.00 O ATOM 723 CB GLU A 56 7.327 -0.068 -7.925 1.00 0.00 C ATOM 724 CG GLU A 56 8.599 -0.898 -7.889 1.00 0.00 C ATOM 725 CD GLU A 56 9.534 -0.580 -9.039 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.052 -0.472 -10.185 1.00 0.00 O ATOM 727 OE2 GLU A 56 10.751 -0.441 -8.793 1.00 0.00 O ATOM 0 H GLU A 56 9.127 1.862 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 56 6.487 1.738 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.534 -0.612 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.012 0.054 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.116 -0.723 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.339 -1.956 -7.918 1.00 0.00 H new ATOM 734 N ALA A 57 7.415 0.864 -4.901 1.00 0.00 N ATOM 735 CA ALA A 57 7.966 0.710 -3.560 1.00 0.00 C ATOM 736 C ALA A 57 7.480 -0.582 -2.912 1.00 0.00 C ATOM 737 O ALA A 57 6.473 -1.154 -3.327 1.00 0.00 O ATOM 738 CB ALA A 57 7.596 1.907 -2.698 1.00 0.00 C ATOM 0 H ALA A 57 6.410 0.704 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 57 9.052 0.657 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.014 1.779 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.998 2.816 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.511 1.985 -2.630 1.00 0.00 H new ATOM 744 N GLU A 58 8.203 -1.037 -1.894 1.00 0.00 N ATOM 745 CA GLU A 58 7.845 -2.263 -1.190 1.00 0.00 C ATOM 746 C GLU A 58 6.816 -1.983 -0.098 1.00 0.00 C ATOM 747 O GLU A 58 6.684 -0.852 0.369 1.00 0.00 O ATOM 748 CB GLU A 58 9.090 -2.908 -0.579 1.00 0.00 C ATOM 749 CG GLU A 58 10.195 -3.174 -1.588 1.00 0.00 C ATOM 750 CD GLU A 58 9.886 -4.348 -2.496 1.00 0.00 C ATOM 751 OE1 GLU A 58 9.827 -5.490 -1.992 1.00 0.00 O ATOM 752 OE2 GLU A 58 9.703 -4.127 -3.712 1.00 0.00 O ATOM 0 H GLU A 58 9.040 -0.575 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 58 7.405 -2.951 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.476 -2.260 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.807 -3.849 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.351 -2.282 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.128 -3.366 -1.058 1.00 0.00 H new ATOM 759 N ALA A 59 6.091 -3.021 0.302 1.00 0.00 N ATOM 760 CA ALA A 59 5.075 -2.888 1.339 1.00 0.00 C ATOM 761 C ALA A 59 5.129 -4.061 2.314 1.00 0.00 C ATOM 762 O ALA A 59 5.382 -5.199 1.918 1.00 0.00 O ATOM 763 CB ALA A 59 3.692 -2.783 0.714 1.00 0.00 C ATOM 0 H ALA A 59 6.188 -3.964 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 59 5.279 -1.974 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.944 -2.684 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.652 -1.909 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.488 -3.680 0.130 1.00 0.00 H new ATOM 769 N ASP A 60 4.890 -3.775 3.590 1.00 0.00 N ATOM 770 CA ASP A 60 4.911 -4.805 4.621 1.00 0.00 C ATOM 771 C ASP A 60 3.684 -5.706 4.514 1.00 0.00 C ATOM 772 O ASP A 60 2.551 -5.251 4.673 1.00 0.00 O ATOM 773 CB ASP A 60 4.971 -4.166 6.009 1.00 0.00 C ATOM 774 CG ASP A 60 5.867 -2.945 6.046 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.103 -3.114 6.000 1.00 0.00 O ATOM 776 OD2 ASP A 60 5.333 -1.818 6.122 1.00 0.00 O ATOM 0 H ASP A 60 4.680 -2.838 3.934 1.00 0.00 H new ATOM 0 HA ASP A 60 5.802 -5.416 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.965 -3.884 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.333 -4.900 6.729 1.00 0.00 H new ATOM 781 N VAL A 61 3.918 -6.986 4.243 1.00 0.00 N ATOM 782 CA VAL A 61 2.832 -7.952 4.116 1.00 0.00 C ATOM 783 C VAL A 61 2.921 -9.025 5.195 1.00 0.00 C ATOM 784 O VAL A 61 3.742 -9.939 5.108 1.00 0.00 O ATOM 785 CB VAL A 61 2.843 -8.628 2.733 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.718 -9.647 2.627 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.735 -7.586 1.629 1.00 0.00 C ATOM 0 H VAL A 61 4.850 -7.379 4.107 1.00 0.00 H new ATOM 0 HA VAL A 61 1.900 -7.399 4.235 1.00 0.00 H new ATOM 0 HB VAL A 61 3.790 -9.154 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.742 -10.114 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.845 -10.411 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.760 -9.147 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.744 -8.082 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.805 -7.030 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.579 -6.899 1.693 1.00 0.00 H new ATOM 797 N ILE A 62 2.071 -8.907 6.209 1.00 0.00 N ATOM 798 CA ILE A 62 2.053 -9.868 7.305 1.00 0.00 C ATOM 799 C ILE A 62 1.088 -11.013 7.016 1.00 0.00 C ATOM 800 O ILE A 62 -0.128 -10.849 7.106 1.00 0.00 O ATOM 801 CB ILE A 62 1.656 -9.199 8.635 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.683 -8.134 9.022 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.527 -10.243 9.734 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.377 -6.766 8.453 1.00 0.00 C ATOM 0 H ILE A 62 1.386 -8.156 6.295 1.00 0.00 H new ATOM 0 HA ILE A 62 3.065 -10.263 7.395 1.00 0.00 H new ATOM 0 HB ILE A 62 0.689 -8.713 8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.731 -8.064 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.668 -8.449 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.246 -9.756 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.761 -10.968 9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.481 -10.754 9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.146 -6.061 8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.358 -6.821 7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.406 -6.430 8.816 1.00 0.00 H new ATOM 816 N GLU A 63 1.639 -12.172 6.670 1.00 0.00 N ATOM 817 CA GLU A 63 0.826 -13.345 6.369 1.00 0.00 C ATOM 818 C GLU A 63 0.316 -13.997 7.651 1.00 0.00 C ATOM 819 O GLU A 63 1.059 -14.150 8.619 1.00 0.00 O ATOM 820 CB GLU A 63 1.634 -14.357 5.555 1.00 0.00 C ATOM 821 CG GLU A 63 2.943 -14.760 6.212 1.00 0.00 C ATOM 822 CD GLU A 63 3.418 -16.132 5.773 1.00 0.00 C ATOM 823 OE1 GLU A 63 2.678 -17.113 5.990 1.00 0.00 O ATOM 824 OE2 GLU A 63 4.531 -16.224 5.214 1.00 0.00 O ATOM 0 H GLU A 63 2.645 -12.324 6.591 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.033 -13.020 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.028 -15.249 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.845 -13.935 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.708 -14.021 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.819 -14.752 7.295 1.00 0.00 H new ATOM 831 N ASN A 64 -0.957 -14.377 7.648 1.00 0.00 N ATOM 832 CA ASN A 64 -1.569 -15.012 8.809 1.00 0.00 C ATOM 833 C ASN A 64 -1.878 -16.479 8.529 1.00 0.00 C ATOM 834 O ASN A 64 -2.075 -16.873 7.380 1.00 0.00 O ATOM 835 CB ASN A 64 -2.850 -14.275 9.204 1.00 0.00 C ATOM 836 CG ASN A 64 -2.599 -13.183 10.226 1.00 0.00 C ATOM 837 OD1 ASN A 64 -2.857 -13.360 11.416 1.00 0.00 O ATOM 838 ND2 ASN A 64 -2.093 -12.045 9.762 1.00 0.00 N ATOM 0 H ASN A 64 -1.585 -14.256 6.854 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.859 -14.961 9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.303 -13.838 8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.567 -14.990 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.903 -11.273 10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.895 -11.943 8.767 1.00 0.00 H new ATOM 845 N GLU A 65 -1.917 -17.283 9.587 1.00 0.00 N ATOM 846 CA GLU A 65 -2.202 -18.707 9.453 1.00 0.00 C ATOM 847 C GLU A 65 -3.692 -18.983 9.637 1.00 0.00 C ATOM 848 O GLU A 65 -4.092 -20.107 9.940 1.00 0.00 O ATOM 849 CB GLU A 65 -1.394 -19.510 10.475 1.00 0.00 C ATOM 850 CG GLU A 65 0.069 -19.677 10.097 1.00 0.00 C ATOM 851 CD GLU A 65 0.927 -20.114 11.267 1.00 0.00 C ATOM 852 OE1 GLU A 65 0.521 -19.878 12.423 1.00 0.00 O ATOM 853 OE2 GLU A 65 2.007 -20.694 11.027 1.00 0.00 O ATOM 0 H GLU A 65 -1.755 -16.973 10.545 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.914 -19.016 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.456 -19.016 11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.846 -20.495 10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.152 -20.412 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.449 -18.734 9.705 1.00 0.00 H new ATOM 860 N ASP A 66 -4.506 -17.951 9.452 1.00 0.00 N ATOM 861 CA ASP A 66 -5.952 -18.081 9.598 1.00 0.00 C ATOM 862 C ASP A 66 -6.656 -17.832 8.268 1.00 0.00 C ATOM 863 O ASP A 66 -7.800 -18.239 8.073 1.00 0.00 O ATOM 864 CB ASP A 66 -6.469 -17.103 10.653 1.00 0.00 C ATOM 865 CG ASP A 66 -6.162 -17.560 12.066 1.00 0.00 C ATOM 866 OD1 ASP A 66 -6.126 -18.787 12.299 1.00 0.00 O ATOM 867 OD2 ASP A 66 -5.956 -16.690 12.938 1.00 0.00 O ATOM 0 H ASP A 66 -4.190 -17.014 9.201 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.170 -19.099 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.022 -16.123 10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.547 -16.985 10.538 1.00 0.00 H new ATOM 872 N GLY A 67 -5.963 -17.160 7.352 1.00 0.00 N ATOM 873 CA GLY A 67 -6.538 -16.868 6.053 1.00 0.00 C ATOM 874 C GLY A 67 -6.690 -15.380 5.808 1.00 0.00 C ATOM 875 O GLY A 67 -7.704 -14.932 5.272 1.00 0.00 O ATOM 0 H GLY A 67 -5.013 -16.813 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.908 -17.299 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.514 -17.348 5.975 1.00 0.00 H new ATOM 879 N THR A 68 -5.679 -14.610 6.201 1.00 0.00 N ATOM 880 CA THR A 68 -5.706 -13.164 6.023 1.00 0.00 C ATOM 881 C THR A 68 -4.299 -12.607 5.843 1.00 0.00 C ATOM 882 O THR A 68 -3.311 -13.268 6.167 1.00 0.00 O ATOM 883 CB THR A 68 -6.374 -12.463 7.222 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.802 -12.936 8.446 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.874 -12.714 7.226 1.00 0.00 C ATOM 0 H THR A 68 -4.832 -14.965 6.645 1.00 0.00 H new ATOM 0 HA THR A 68 -6.290 -12.966 5.124 1.00 0.00 H new ATOM 0 HB THR A 68 -6.201 -11.391 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.230 -12.485 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.325 -12.210 8.081 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.310 -12.327 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.063 -13.785 7.295 1.00 0.00 H new ATOM 893 N TYR A 69 -4.213 -11.387 5.325 1.00 0.00 N ATOM 894 CA TYR A 69 -2.926 -10.740 5.100 1.00 0.00 C ATOM 895 C TYR A 69 -2.998 -9.252 5.429 1.00 0.00 C ATOM 896 O TYR A 69 -3.733 -8.499 4.789 1.00 0.00 O ATOM 897 CB TYR A 69 -2.481 -10.933 3.649 1.00 0.00 C ATOM 898 CG TYR A 69 -2.038 -12.343 3.334 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.967 -13.357 3.136 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.688 -12.662 3.235 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.566 -14.647 2.848 1.00 0.00 C ATOM 902 CE2 TYR A 69 -0.279 -13.949 2.947 1.00 0.00 C ATOM 903 CZ TYR A 69 -1.221 -14.939 2.753 1.00 0.00 C ATOM 904 OH TYR A 69 -0.817 -16.223 2.467 1.00 0.00 O ATOM 0 H TYR A 69 -5.020 -10.826 5.053 1.00 0.00 H new ATOM 0 HA TYR A 69 -2.195 -11.204 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.304 -10.663 2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.661 -10.247 3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.021 -13.133 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.053 -11.891 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.302 -15.423 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.773 -14.180 2.874 1.00 0.00 H new ATOM 0 HH TYR A 69 0.162 -16.258 2.435 1.00 0.00 H new ATOM 914 N ASP A 70 -2.230 -8.836 6.429 1.00 0.00 N ATOM 915 CA ASP A 70 -2.204 -7.438 6.843 1.00 0.00 C ATOM 916 C ASP A 70 -1.143 -6.661 6.069 1.00 0.00 C ATOM 917 O ASP A 70 0.025 -7.050 6.040 1.00 0.00 O ATOM 918 CB ASP A 70 -1.937 -7.333 8.345 1.00 0.00 C ATOM 919 CG ASP A 70 -2.519 -8.499 9.120 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.732 -8.757 8.980 1.00 0.00 O ATOM 921 OD2 ASP A 70 -1.761 -9.154 9.866 1.00 0.00 O ATOM 0 H ASP A 70 -1.617 -9.447 6.968 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.179 -7.002 6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.862 -7.287 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.361 -6.402 8.722 1.00 0.00 H new ATOM 926 N ILE A 71 -1.557 -5.564 5.445 1.00 0.00 N ATOM 927 CA ILE A 71 -0.643 -4.734 4.672 1.00 0.00 C ATOM 928 C ILE A 71 -0.745 -3.270 5.086 1.00 0.00 C ATOM 929 O ILE A 71 -1.840 -2.747 5.291 1.00 0.00 O ATOM 930 CB ILE A 71 -0.920 -4.849 3.161 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.790 -6.304 2.705 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.033 -3.957 2.379 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.580 -6.617 1.453 1.00 0.00 C ATOM 0 H ILE A 71 -2.520 -5.229 5.460 1.00 0.00 H new ATOM 0 HA ILE A 71 0.364 -5.098 4.878 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.940 -4.517 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.262 -6.528 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.124 -6.960 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.175 -4.049 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.103 -2.920 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.061 -4.262 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.441 -7.665 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.638 -6.425 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.231 -5.987 0.635 1.00 0.00 H new ATOM 945 N PHE A 72 0.404 -2.614 5.206 1.00 0.00 N ATOM 946 CA PHE A 72 0.445 -1.209 5.596 1.00 0.00 C ATOM 947 C PHE A 72 1.415 -0.429 4.714 1.00 0.00 C ATOM 948 O PHE A 72 2.405 -0.974 4.227 1.00 0.00 O ATOM 949 CB PHE A 72 0.854 -1.077 7.064 1.00 0.00 C ATOM 950 CG PHE A 72 0.087 -1.984 7.984 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.468 -3.305 8.153 1.00 0.00 C ATOM 952 CD2 PHE A 72 -1.015 -1.515 8.680 1.00 0.00 C ATOM 953 CE1 PHE A 72 -0.235 -4.142 8.998 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.722 -2.347 9.527 1.00 0.00 C ATOM 955 CZ PHE A 72 -1.333 -3.663 9.686 1.00 0.00 C ATOM 0 H PHE A 72 1.319 -3.032 5.039 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.554 -0.792 5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.918 -1.294 7.157 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.710 -0.044 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.325 -3.685 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.325 -0.488 8.559 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.074 -5.170 9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.579 -1.968 10.065 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.886 -4.315 10.346 1.00 0.00 H new ATOM 965 N TYR A 73 1.122 0.851 4.512 1.00 0.00 N ATOM 966 CA TYR A 73 1.966 1.708 3.687 1.00 0.00 C ATOM 967 C TYR A 73 1.702 3.181 3.982 1.00 0.00 C ATOM 968 O TYR A 73 0.621 3.550 4.444 1.00 0.00 O ATOM 969 CB TYR A 73 1.723 1.421 2.204 1.00 0.00 C ATOM 970 CG TYR A 73 0.444 2.027 1.672 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.376 3.375 1.342 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.695 1.252 1.499 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.791 3.933 0.856 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.866 1.801 1.012 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.909 3.142 0.693 1.00 0.00 C ATOM 976 OH TYR A 73 -3.073 3.694 0.208 1.00 0.00 O ATOM 0 H TYR A 73 0.306 1.318 4.908 1.00 0.00 H new ATOM 0 HA TYR A 73 3.007 1.490 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.564 1.803 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.695 0.342 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.250 3.997 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.665 0.202 1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.827 4.983 0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.742 1.183 0.882 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.814 3.479 0.813 1.00 0.00 H new ATOM 986 N THR A 74 2.696 4.019 3.712 1.00 0.00 N ATOM 987 CA THR A 74 2.573 5.452 3.948 1.00 0.00 C ATOM 988 C THR A 74 2.839 6.245 2.673 1.00 0.00 C ATOM 989 O THR A 74 3.508 5.763 1.760 1.00 0.00 O ATOM 990 CB THR A 74 3.545 5.927 5.045 1.00 0.00 C ATOM 991 OG1 THR A 74 3.329 5.180 6.247 1.00 0.00 O ATOM 992 CG2 THR A 74 3.364 7.411 5.324 1.00 0.00 C ATOM 0 H THR A 74 3.596 3.730 3.329 1.00 0.00 H new ATOM 0 HA THR A 74 1.549 5.630 4.277 1.00 0.00 H new ATOM 0 HB THR A 74 4.563 5.762 4.693 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.952 5.486 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.061 7.723 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.558 7.979 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.343 7.597 5.656 1.00 0.00 H new ATOM 1000 N ALA A 75 2.310 7.463 2.619 1.00 0.00 N ATOM 1001 CA ALA A 75 2.493 8.323 1.456 1.00 0.00 C ATOM 1002 C ALA A 75 3.222 9.609 1.833 1.00 0.00 C ATOM 1003 O ALA A 75 2.619 10.543 2.359 1.00 0.00 O ATOM 1004 CB ALA A 75 1.149 8.644 0.819 1.00 0.00 C ATOM 0 H ALA A 75 1.752 7.876 3.366 1.00 0.00 H new ATOM 0 HA ALA A 75 3.107 7.787 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.302 9.287 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.665 7.719 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.516 9.156 1.544 1.00 0.00 H new ATOM 1010 N ALA A 76 4.522 9.648 1.561 1.00 0.00 N ATOM 1011 CA ALA A 76 5.332 10.819 1.871 1.00 0.00 C ATOM 1012 C ALA A 76 4.735 12.079 1.252 1.00 0.00 C ATOM 1013 O ALA A 76 4.471 13.060 1.948 1.00 0.00 O ATOM 1014 CB ALA A 76 6.761 10.616 1.387 1.00 0.00 C ATOM 0 H ALA A 76 5.037 8.882 1.127 1.00 0.00 H new ATOM 0 HA ALA A 76 5.342 10.947 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.355 11.499 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.192 9.745 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.761 10.459 0.308 1.00 0.00 H new ATOM 1020 N LYS A 77 4.526 12.046 -0.060 1.00 0.00 N ATOM 1021 CA LYS A 77 3.960 13.184 -0.774 1.00 0.00 C ATOM 1022 C LYS A 77 2.638 12.809 -1.434 1.00 0.00 C ATOM 1023 O LYS A 77 2.388 11.650 -1.766 1.00 0.00 O ATOM 1024 CB LYS A 77 4.944 13.691 -1.830 1.00 0.00 C ATOM 1025 CG LYS A 77 4.875 12.928 -3.142 1.00 0.00 C ATOM 1026 CD LYS A 77 5.303 11.480 -2.968 1.00 0.00 C ATOM 1027 CE LYS A 77 5.914 10.923 -4.244 1.00 0.00 C ATOM 1028 NZ LYS A 77 7.297 11.430 -4.465 1.00 0.00 N ATOM 0 H LYS A 77 4.740 11.243 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 77 3.772 13.978 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.747 14.746 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.957 13.623 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.858 12.963 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.516 13.412 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.026 11.408 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.441 10.877 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.930 9.834 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.288 11.193 -5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.491 11.477 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.389 12.380 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.979 10.788 -4.013 1.00 0.00 H new ATOM 1042 N PRO A 78 1.768 13.812 -1.632 1.00 0.00 N ATOM 1043 CA PRO A 78 0.457 13.611 -2.257 1.00 0.00 C ATOM 1044 C PRO A 78 0.567 13.282 -3.742 1.00 0.00 C ATOM 1045 O PRO A 78 1.567 13.599 -4.386 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.241 14.959 -2.058 1.00 0.00 C ATOM 1047 CG PRO A 78 0.869 15.945 -1.937 1.00 0.00 C ATOM 1048 CD PRO A 78 1.998 15.218 -1.262 1.00 0.00 C ATOM 0 HA PRO A 78 -0.079 12.769 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.891 15.196 -2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.865 14.954 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.173 16.313 -2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.559 16.812 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.969 15.571 -1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.977 15.358 -0.181 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.468 12.644 -4.280 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.468 12.284 -5.686 1.00 0.00 C ATOM 1058 C GLY A 79 -1.345 11.083 -5.977 1.00 0.00 C ATOM 1059 O GLY A 79 -2.160 10.683 -5.145 1.00 0.00 O ATOM 0 H GLY A 79 -1.306 12.370 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.813 13.133 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.553 12.070 -6.003 1.00 0.00 H new ATOM 1063 N THR A 80 -1.179 10.504 -7.163 1.00 0.00 N ATOM 1064 CA THR A 80 -1.964 9.342 -7.563 1.00 0.00 C ATOM 1065 C THR A 80 -1.219 8.047 -7.266 1.00 0.00 C ATOM 1066 O THR A 80 -0.308 7.661 -8.000 1.00 0.00 O ATOM 1067 CB THR A 80 -2.313 9.390 -9.062 1.00 0.00 C ATOM 1068 OG1 THR A 80 -2.976 10.621 -9.372 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.201 8.218 -9.448 1.00 0.00 C ATOM 0 H THR A 80 -0.508 10.821 -7.863 1.00 0.00 H new ATOM 0 HA THR A 80 -2.886 9.367 -6.982 1.00 0.00 H new ATOM 0 HB THR A 80 -1.385 9.325 -9.631 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.722 10.756 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.434 8.273 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.681 7.283 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.125 8.256 -8.871 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.610 7.378 -6.187 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.977 6.125 -5.793 1.00 0.00 C ATOM 1079 C TYR A 81 -1.718 4.930 -6.384 1.00 0.00 C ATOM 1080 O TYR A 81 -2.948 4.873 -6.357 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.932 6.010 -4.268 1.00 0.00 C ATOM 1082 CG TYR A 81 0.179 6.812 -3.632 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.194 8.200 -3.711 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.216 6.184 -2.952 1.00 0.00 C ATOM 1085 CE1 TYR A 81 1.209 8.937 -3.133 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.233 6.914 -2.368 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.225 8.290 -2.461 1.00 0.00 C ATOM 1088 OH TYR A 81 3.237 9.021 -1.883 1.00 0.00 O ATOM 0 H TYR A 81 -2.363 7.683 -5.569 1.00 0.00 H new ATOM 0 HA TYR A 81 0.042 6.124 -6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.887 6.340 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.814 4.961 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.602 8.711 -4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.227 5.107 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.207 10.014 -3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.030 6.410 -1.841 1.00 0.00 H new ATOM 0 HH TYR A 81 2.910 9.920 -1.669 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.962 3.976 -6.916 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.546 2.781 -7.513 1.00 0.00 C ATOM 1100 C VAL A 82 -1.000 1.517 -6.857 1.00 0.00 C ATOM 1101 O VAL A 82 0.179 1.191 -7.001 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.274 2.718 -9.027 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.783 1.409 -9.609 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.910 3.907 -9.732 1.00 0.00 C ATOM 0 H VAL A 82 0.057 4.007 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.622 2.839 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.197 2.763 -9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.581 1.384 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.276 0.574 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.857 1.329 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.708 3.847 -10.801 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.987 3.895 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.491 4.832 -9.335 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.865 0.810 -6.138 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.469 -0.419 -5.462 1.00 0.00 C ATOM 1116 C ILE A 83 -1.910 -1.647 -6.251 1.00 0.00 C ATOM 1117 O ILE A 83 -3.079 -1.780 -6.612 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.062 -0.496 -4.042 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.658 0.736 -3.230 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.605 -1.770 -3.346 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.594 1.034 -2.080 1.00 0.00 C ATOM 0 H ILE A 83 -2.844 1.067 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.381 -0.405 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.149 -0.517 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.651 0.590 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.621 1.601 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.032 -1.810 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.938 -2.636 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.517 -1.777 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.247 1.920 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.598 1.212 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.613 0.185 -1.397 1.00 0.00 H new ATOM 1133 N TYR A 84 -0.965 -2.544 -6.515 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.255 -3.761 -7.262 1.00 0.00 C ATOM 1135 C TYR A 84 -1.492 -4.937 -6.319 1.00 0.00 C ATOM 1136 O TYR A 84 -0.623 -5.296 -5.525 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.104 -4.084 -8.218 1.00 0.00 C ATOM 1138 CG TYR A 84 0.203 -2.971 -9.194 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -0.775 -2.483 -10.052 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.471 -2.408 -9.259 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.499 -1.467 -10.946 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.756 -1.389 -10.148 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.767 -0.924 -10.990 1.00 0.00 C ATOM 1144 OH TYR A 84 1.048 0.090 -11.879 1.00 0.00 O ATOM 0 H TYR A 84 0.008 -2.450 -6.222 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.164 -3.594 -7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.791 -4.302 -7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.349 -4.988 -8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.768 -2.906 -10.019 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.248 -2.773 -8.603 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.271 -1.100 -11.607 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.746 -0.960 -10.183 1.00 0.00 H new ATOM 0 HH TYR A 84 1.985 0.361 -11.781 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.677 -5.532 -6.413 1.00 0.00 N ATOM 1155 CA VAL A 85 -3.031 -6.667 -5.570 1.00 0.00 C ATOM 1156 C VAL A 85 -3.408 -7.880 -6.412 1.00 0.00 C ATOM 1157 O VAL A 85 -4.111 -7.758 -7.415 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.202 -6.325 -4.629 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.442 -7.459 -3.643 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.933 -5.019 -3.898 1.00 0.00 C ATOM 0 H VAL A 85 -3.408 -5.247 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.151 -6.903 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.104 -6.200 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.273 -7.200 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.682 -8.371 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.544 -7.619 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.770 -4.793 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.021 -5.113 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.815 -4.214 -4.623 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.935 -9.052 -5.998 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.222 -10.289 -6.715 1.00 0.00 C ATOM 1172 C ARG A 86 -3.339 -11.463 -5.748 1.00 0.00 C ATOM 1173 O ARG A 86 -2.893 -11.385 -4.603 1.00 0.00 O ATOM 1174 CB ARG A 86 -2.129 -10.570 -7.747 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.919 -11.287 -7.171 1.00 0.00 C ATOM 1176 CD ARG A 86 0.172 -11.465 -8.215 1.00 0.00 C ATOM 1177 NE ARG A 86 1.389 -12.037 -7.644 1.00 0.00 N ATOM 1178 CZ ARG A 86 2.562 -12.040 -8.267 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.677 -11.506 -9.474 1.00 0.00 N ATOM 1180 NH2 ARG A 86 3.624 -12.581 -7.682 1.00 0.00 N ATOM 0 H ARG A 86 -2.351 -9.170 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.175 -10.169 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.548 -11.172 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.806 -9.627 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.527 -10.720 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.221 -12.262 -6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.192 -12.112 -9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.402 -10.500 -8.667 1.00 0.00 H new ATOM 0 HE ARG A 86 1.335 -12.457 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.863 -11.091 -9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.579 -11.510 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.539 -12.995 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.524 -12.583 -8.161 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.944 -12.550 -6.216 1.00 0.00 N ATOM 1195 CA PHE A 87 -4.121 -13.741 -5.393 1.00 0.00 C ATOM 1196 C PHE A 87 -3.637 -14.987 -6.127 1.00 0.00 C ATOM 1197 O PHE A 87 -4.210 -15.386 -7.141 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.592 -13.903 -5.004 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.918 -15.257 -4.443 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -6.306 -16.294 -5.277 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -5.837 -15.495 -3.079 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -6.606 -17.541 -4.764 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.135 -16.740 -2.561 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.521 -17.765 -3.403 1.00 0.00 C ATOM 0 H PHE A 87 -4.320 -12.631 -7.161 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.524 -13.620 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.851 -13.142 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.213 -13.723 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.375 -16.125 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.538 -14.698 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.907 -18.340 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.066 -16.912 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.756 -18.739 -2.999 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.577 -15.598 -5.609 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.033 -16.792 -6.228 1.00 0.00 C ATOM 1216 C GLY A 88 -1.523 -16.536 -7.632 1.00 0.00 C ATOM 1217 O GLY A 88 -1.504 -17.440 -8.468 1.00 0.00 O ATOM 0 H GLY A 88 -2.085 -15.287 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.219 -17.177 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.802 -17.564 -6.259 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.110 -15.301 -7.894 1.00 0.00 N ATOM 1222 CA GLY A 89 -0.605 -14.950 -9.209 1.00 0.00 C ATOM 1223 C GLY A 89 -1.708 -14.527 -10.160 1.00 0.00 C ATOM 1224 O GLY A 89 -1.563 -14.634 -11.378 1.00 0.00 O ATOM 0 H GLY A 89 -1.116 -14.536 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.118 -14.140 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.074 -15.803 -9.630 1.00 0.00 H new ATOM 1228 N VAL A 90 -2.814 -14.046 -9.602 1.00 0.00 N ATOM 1229 CA VAL A 90 -3.947 -13.605 -10.408 1.00 0.00 C ATOM 1230 C VAL A 90 -4.456 -12.245 -9.943 1.00 0.00 C ATOM 1231 O VAL A 90 -4.978 -12.112 -8.837 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.103 -14.620 -10.352 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.193 -14.244 -11.346 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -4.591 -16.027 -10.619 1.00 0.00 C ATOM 0 H VAL A 90 -2.950 -13.952 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.593 -13.525 -11.436 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.533 -14.598 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.002 -14.973 -11.292 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.580 -13.254 -11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.779 -14.236 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.422 -16.731 -10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.134 -16.066 -11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.850 -16.294 -9.866 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.300 -11.238 -10.797 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.746 -9.887 -10.474 1.00 0.00 C ATOM 1246 C ASP A 91 -6.268 -9.824 -10.388 1.00 0.00 C ATOM 1247 O ASP A 91 -6.963 -9.979 -11.391 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.241 -8.897 -11.526 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.281 -7.463 -11.035 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -4.036 -7.240 -9.831 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -4.557 -6.564 -11.857 1.00 0.00 O ATOM 0 H ASP A 91 -3.869 -11.332 -11.717 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.333 -9.616 -9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.219 -9.155 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.848 -8.987 -12.427 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.777 -9.595 -9.182 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.215 -9.511 -8.963 1.00 0.00 C ATOM 1258 C ILE A 92 -8.862 -8.534 -9.938 1.00 0.00 C ATOM 1259 O ILE A 92 -8.201 -7.684 -10.536 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.542 -9.073 -7.523 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.410 -8.211 -6.960 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.778 -10.291 -6.641 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.809 -7.414 -5.738 1.00 0.00 C ATOM 0 H ILE A 92 -6.214 -9.464 -8.341 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.618 -10.510 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.454 -8.477 -7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.567 -8.853 -6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.066 -7.526 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.008 -9.966 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.614 -10.869 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.881 -10.911 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.958 -6.827 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.632 -6.746 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.125 -8.094 -4.947 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.188 -8.653 -10.103 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.955 -7.787 -11.003 1.00 0.00 C ATOM 1277 C PRO A 93 -11.050 -6.355 -10.489 1.00 0.00 C ATOM 1278 O PRO A 93 -11.694 -5.505 -11.104 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.340 -8.438 -11.028 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.435 -9.176 -9.737 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.041 -9.643 -9.423 1.00 0.00 C ATOM 0 HA PRO A 93 -10.489 -7.706 -11.985 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.128 -7.690 -11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.445 -9.112 -11.878 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.818 -8.531 -8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.120 -10.020 -9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.856 -9.662 -8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.862 -10.651 -9.796 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.403 -6.093 -9.359 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.413 -4.762 -8.761 1.00 0.00 C ATOM 1291 C ASN A 94 -9.120 -4.016 -9.072 1.00 0.00 C ATOM 1292 O ASN A 94 -9.114 -2.792 -9.205 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.607 -4.861 -7.247 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.797 -5.724 -6.872 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -11.697 -6.599 -6.011 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.931 -5.481 -7.518 1.00 0.00 N ATOM 0 H ASN A 94 -9.864 -6.785 -8.838 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.245 -4.205 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.705 -5.273 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.742 -3.861 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.765 -6.029 -7.308 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.968 -4.746 -8.224 1.00 0.00 H new ATOM 1303 N SER A 95 -8.025 -4.762 -9.187 1.00 0.00 N ATOM 1304 CA SER A 95 -6.725 -4.171 -9.479 1.00 0.00 C ATOM 1305 C SER A 95 -6.716 -3.534 -10.866 1.00 0.00 C ATOM 1306 O SER A 95 -7.368 -4.006 -11.797 1.00 0.00 O ATOM 1307 CB SER A 95 -5.627 -5.232 -9.386 1.00 0.00 C ATOM 1308 OG SER A 95 -4.423 -4.774 -9.979 1.00 0.00 O ATOM 0 H SER A 95 -8.013 -5.777 -9.082 1.00 0.00 H new ATOM 0 HA SER A 95 -6.533 -3.393 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.448 -5.484 -8.341 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.956 -6.145 -9.882 1.00 0.00 H new ATOM 0 HG SER A 95 -4.389 -5.063 -10.915 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.959 -2.435 -11.007 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.179 -1.866 -9.904 1.00 0.00 C ATOM 1316 C PRO A 96 -6.063 -1.237 -8.832 1.00 0.00 C ATOM 1317 O PRO A 96 -7.290 -1.258 -8.935 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.328 -0.794 -10.591 1.00 0.00 C ATOM 1319 CG PRO A 96 -5.101 -0.417 -11.806 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.808 -1.666 -12.252 1.00 0.00 C ATOM 0 HA PRO A 96 -4.596 -2.625 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.172 0.065 -9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.342 -1.179 -10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.814 0.377 -11.584 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.440 -0.042 -12.588 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.774 -1.441 -12.705 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.227 -2.213 -12.994 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.432 -0.679 -7.804 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.163 -0.046 -6.713 1.00 0.00 C ATOM 1330 C PHE A 97 -5.879 1.453 -6.666 1.00 0.00 C ATOM 1331 O PHE A 97 -4.846 1.886 -6.153 1.00 0.00 O ATOM 1332 CB PHE A 97 -5.786 -0.689 -5.377 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.464 -2.007 -5.134 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.366 -3.033 -6.061 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.201 -2.220 -3.980 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -6.989 -4.247 -5.840 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -7.825 -3.432 -3.754 1.00 0.00 C ATOM 1338 CZ PHE A 97 -7.720 -4.446 -4.686 1.00 0.00 C ATOM 0 H PHE A 97 -4.417 -0.652 -7.704 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.229 -0.192 -6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.706 -0.833 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.041 -0.004 -4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.796 -2.882 -6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.289 -1.430 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.904 -5.039 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -8.394 -3.586 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.209 -5.393 -4.512 1.00 0.00 H new ATOM 1348 N THR A 98 -6.803 2.243 -7.206 1.00 0.00 N ATOM 1349 CA THR A 98 -6.652 3.691 -7.228 1.00 0.00 C ATOM 1350 C THR A 98 -6.741 4.275 -5.823 1.00 0.00 C ATOM 1351 O THR A 98 -7.656 3.957 -5.064 1.00 0.00 O ATOM 1352 CB THR A 98 -7.722 4.354 -8.116 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.732 3.743 -9.410 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.461 5.846 -8.255 1.00 0.00 C ATOM 0 H THR A 98 -7.664 1.902 -7.634 1.00 0.00 H new ATOM 0 HA THR A 98 -5.666 3.899 -7.643 1.00 0.00 H new ATOM 0 HB THR A 98 -8.694 4.214 -7.642 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.416 4.169 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.229 6.293 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.484 6.313 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.482 6.003 -8.708 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.783 5.132 -5.482 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.755 5.762 -4.166 1.00 0.00 C ATOM 1364 C VAL A 99 -5.171 7.169 -4.244 1.00 0.00 C ATOM 1365 O VAL A 99 -3.965 7.341 -4.420 1.00 0.00 O ATOM 1366 CB VAL A 99 -4.932 4.931 -3.164 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.870 5.631 -1.815 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.520 3.535 -3.021 1.00 0.00 C ATOM 0 H VAL A 99 -5.017 5.406 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.787 5.818 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.915 4.836 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.285 5.030 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.401 6.608 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.880 5.758 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.926 2.961 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.547 3.608 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.509 3.035 -3.989 1.00 0.00 H new ATOM 1378 N MET A 100 -6.033 8.170 -4.110 1.00 0.00 N ATOM 1379 CA MET A 100 -5.602 9.563 -4.163 1.00 0.00 C ATOM 1380 C MET A 100 -5.211 10.063 -2.776 1.00 0.00 C ATOM 1381 O MET A 100 -6.031 10.083 -1.859 1.00 0.00 O ATOM 1382 CB MET A 100 -6.714 10.441 -4.741 1.00 0.00 C ATOM 1383 CG MET A 100 -6.201 11.708 -5.408 1.00 0.00 C ATOM 1384 SD MET A 100 -5.822 11.468 -7.154 1.00 0.00 S ATOM 1385 CE MET A 100 -5.388 13.137 -7.638 1.00 0.00 C ATOM 0 H MET A 100 -7.035 8.044 -3.964 1.00 0.00 H new ATOM 0 HA MET A 100 -4.728 9.624 -4.811 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.283 9.862 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.403 10.714 -3.942 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.948 12.495 -5.307 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.305 12.050 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.128 13.153 -8.696 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.236 13.799 -7.463 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.536 13.476 -7.050 1.00 0.00 H new ATOM 1395 N ALA A 101 -3.954 10.467 -2.631 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.456 10.970 -1.356 1.00 0.00 C ATOM 1397 C ALA A 101 -3.539 12.492 -1.296 1.00 0.00 C ATOM 1398 O ALA A 101 -3.014 13.188 -2.164 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.023 10.508 -1.131 1.00 0.00 C ATOM 0 H ALA A 101 -3.262 10.456 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.086 10.567 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.663 10.890 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.989 9.419 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.389 10.884 -1.934 1.00 0.00 H new ATOM 1405 N THR A 102 -4.205 13.002 -0.264 1.00 0.00 N ATOM 1406 CA THR A 102 -4.359 14.442 -0.091 1.00 0.00 C ATOM 1407 C THR A 102 -3.725 14.909 1.214 1.00 0.00 C ATOM 1408 O THR A 102 -3.696 14.173 2.200 1.00 0.00 O ATOM 1409 CB THR A 102 -5.843 14.852 -0.103 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.502 14.343 1.062 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.539 14.333 -1.353 1.00 0.00 C ATOM 0 H THR A 102 -4.646 12.440 0.464 1.00 0.00 H new ATOM 0 HA THR A 102 -3.851 14.918 -0.929 1.00 0.00 H new ATOM 0 HB THR A 102 -5.895 15.941 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.282 13.395 1.174 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.586 14.635 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.054 14.746 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.476 13.245 -1.379 1.00 0.00 H new