USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 647 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 25 ASN : amide:sc= -0.531 X(o=-1.3,f=-1.6) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.763 K(o=-1.3,f=-7.5!) USER MOD Set 2.1: A 49 SER OG : rot -138:sc= 0.386! USER MOD Set 2.2: A 86 TYR OH : rot 150:sc= -1.68! USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 56 ASN : amide:sc= -1.86 K(o=-10,f=-8.8) USER MOD Set 4.2: A 59 GLN : amide:sc= -7.75! C(o=-10!,f=-8.8!) USER MOD Set 4.3: A 77 SER OG : rot 150:sc= -0.81 USER MOD Set 5.1: A 66 SER OG : rot -6:sc= 1! USER MOD Set 5.2: A 68 THR OG1 : rot -79:sc= 0.618 USER MOD Set 6.1: A 22 THR OG1 : rot -140:sc=-0.00826 USER MOD Set 6.2: A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0282) USER MOD Set 7.1: A 29 SER OG : rot -131:sc= -0.19 USER MOD Set 7.2: A 73 THR OG1 : rot 171:sc= 0.276 USER MOD Set 8.1: A 23 ASN : amide:sc= -0.687 K(o=-0.93,f=2.1) USER MOD Set 8.2: A 96 THR OG1 : rot -160:sc= -0.243 USER MOD Single : A 11 THR OG1 : rot 20:sc= 0.475 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.05 X(o=-1,f=-0.74) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 27 THR OG1 : rot -51:sc=0.000642 USER MOD Single : A 31 GLN : amide:sc= -4.2 X(o=-4.2,f=-4.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.516 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -160:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.75 X(o=-1.8,f=-1.7) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0559 X(o=-0.056,f=0.27) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.03) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 17.135 20.246 6.501 1.00 61.50 N ATOM 142 CA THR A 11 17.129 21.620 6.018 1.00 42.44 C ATOM 143 C THR A 11 16.105 22.463 6.769 1.00 74.12 C ATOM 144 O THR A 11 15.619 23.472 6.256 1.00 70.25 O ATOM 145 CB THR A 11 16.823 21.684 4.509 1.00 0.44 C ATOM 146 OG1 THR A 11 17.383 20.545 3.847 1.00 31.01 O ATOM 147 CG2 THR A 11 17.383 22.959 3.897 1.00 3.31 C ATOM 0 HA THR A 11 18.126 22.022 6.196 1.00 42.44 H new ATOM 0 HB THR A 11 15.741 21.683 4.380 1.00 0.44 H new ATOM 0 HG1 THR A 11 17.550 19.835 4.502 1.00 31.01 H new ATOM 0 HG21 THR A 11 17.155 22.982 2.831 1.00 3.31 H new ATOM 0 HG22 THR A 11 16.933 23.824 4.383 1.00 3.31 H new ATOM 0 HG23 THR A 11 18.464 22.986 4.037 1.00 3.31 H new ATOM 155 N LEU A 12 15.780 22.044 7.987 1.00 71.22 N ATOM 156 CA LEU A 12 14.812 22.761 8.810 1.00 5.11 C ATOM 157 C LEU A 12 15.409 24.058 9.346 1.00 5.34 C ATOM 158 O LEU A 12 16.450 24.049 10.005 1.00 54.04 O ATOM 159 CB LEU A 12 14.350 21.880 9.972 1.00 11.52 C ATOM 160 CG LEU A 12 13.271 20.848 9.644 1.00 63.44 C ATOM 161 CD1 LEU A 12 12.026 21.531 9.099 1.00 23.53 C ATOM 162 CD2 LEU A 12 13.799 19.824 8.649 1.00 54.05 C ATOM 0 H LEU A 12 16.172 21.211 8.427 1.00 71.22 H new ATOM 0 HA LEU A 12 13.953 23.008 8.186 1.00 5.11 H new ATOM 0 HB2 LEU A 12 15.218 21.355 10.371 1.00 11.52 H new ATOM 0 HB3 LEU A 12 13.977 22.527 10.766 1.00 11.52 H new ATOM 0 HG LEU A 12 13.001 20.328 10.563 1.00 63.44 H new ATOM 0 HD11 LEU A 12 11.269 20.780 8.871 1.00 23.53 H new ATOM 0 HD12 LEU A 12 11.636 22.225 9.844 1.00 23.53 H new ATOM 0 HD13 LEU A 12 12.279 22.078 8.191 1.00 23.53 H new ATOM 0 HD21 LEU A 12 13.018 19.097 8.426 1.00 54.05 H new ATOM 0 HD22 LEU A 12 14.097 20.329 7.730 1.00 54.05 H new ATOM 0 HD23 LEU A 12 14.661 19.312 9.077 1.00 54.05 H new ATOM 174 N SER A 13 14.743 25.172 9.062 1.00 11.50 N ATOM 175 CA SER A 13 15.208 26.478 9.514 1.00 3.34 C ATOM 176 C SER A 13 14.271 27.053 10.572 1.00 74.21 C ATOM 177 O SER A 13 14.715 27.557 11.603 1.00 32.13 O ATOM 178 CB SER A 13 15.314 27.443 8.332 1.00 42.21 C ATOM 179 OG SER A 13 15.654 28.748 8.767 1.00 12.35 O ATOM 0 H SER A 13 13.879 25.197 8.521 1.00 11.50 H new ATOM 0 HA SER A 13 16.195 26.350 9.959 1.00 3.34 H new ATOM 0 HB2 SER A 13 16.067 27.083 7.631 1.00 42.21 H new ATOM 0 HB3 SER A 13 14.366 27.471 7.795 1.00 42.21 H new ATOM 0 HG SER A 13 15.717 29.345 7.992 1.00 12.35 H new ATOM 185 N SER A 14 12.970 26.973 10.307 1.00 25.32 N ATOM 186 CA SER A 14 11.969 27.488 11.233 1.00 33.33 C ATOM 187 C SER A 14 10.777 26.540 11.327 1.00 70.22 C ATOM 188 O SER A 14 10.443 25.849 10.364 1.00 70.50 O ATOM 189 CB SER A 14 11.498 28.874 10.790 1.00 44.33 C ATOM 190 OG SER A 14 12.349 29.888 11.297 1.00 62.25 O ATOM 0 H SER A 14 12.586 26.557 9.459 1.00 25.32 H new ATOM 0 HA SER A 14 12.428 27.566 12.218 1.00 33.33 H new ATOM 0 HB2 SER A 14 11.477 28.924 9.701 1.00 44.33 H new ATOM 0 HB3 SER A 14 10.479 29.043 11.137 1.00 44.33 H new ATOM 0 HG SER A 14 12.028 30.764 10.998 1.00 62.25 H new ATOM 196 N ILE A 15 10.140 26.513 12.493 1.00 42.33 N ATOM 197 CA ILE A 15 8.985 25.652 12.712 1.00 23.44 C ATOM 198 C ILE A 15 7.830 26.428 13.335 1.00 4.52 C ATOM 199 O ILE A 15 8.042 27.400 14.061 1.00 21.45 O ATOM 200 CB ILE A 15 9.337 24.460 13.622 1.00 21.30 C ATOM 201 CG1 ILE A 15 10.675 23.847 13.202 1.00 11.23 C ATOM 202 CG2 ILE A 15 8.232 23.415 13.577 1.00 64.44 C ATOM 203 CD1 ILE A 15 10.684 23.332 11.780 1.00 10.20 C ATOM 0 H ILE A 15 10.405 27.078 13.300 1.00 42.33 H new ATOM 0 HA ILE A 15 8.682 25.277 11.735 1.00 23.44 H new ATOM 0 HB ILE A 15 9.429 24.819 14.647 1.00 21.30 H new ATOM 0 HG12 ILE A 15 11.459 24.596 13.314 1.00 11.23 H new ATOM 0 HG13 ILE A 15 10.918 23.027 13.878 1.00 11.23 H new ATOM 0 HG21 ILE A 15 8.495 22.579 14.225 1.00 64.44 H new ATOM 0 HG22 ILE A 15 7.297 23.859 13.919 1.00 64.44 H new ATOM 0 HG23 ILE A 15 8.111 23.057 12.554 1.00 64.44 H new ATOM 0 HD11 ILE A 15 11.663 22.912 11.551 1.00 10.20 H new ATOM 0 HD12 ILE A 15 9.923 22.560 11.668 1.00 10.20 H new ATOM 0 HD13 ILE A 15 10.472 24.153 11.094 1.00 10.20 H new ATOM 215 N SER A 16 6.608 25.993 13.047 1.00 30.03 N ATOM 216 CA SER A 16 5.418 26.649 13.578 1.00 63.45 C ATOM 217 C SER A 16 4.548 25.658 14.344 1.00 21.55 C ATOM 218 O SER A 16 4.003 24.716 13.766 1.00 5.55 O ATOM 219 CB SER A 16 4.611 27.282 12.443 1.00 52.10 C ATOM 220 OG SER A 16 4.443 28.674 12.652 1.00 62.34 O ATOM 0 H SER A 16 6.415 25.189 12.449 1.00 30.03 H new ATOM 0 HA SER A 16 5.740 27.431 14.266 1.00 63.45 H new ATOM 0 HB2 SER A 16 5.118 27.112 11.493 1.00 52.10 H new ATOM 0 HB3 SER A 16 3.635 26.801 12.374 1.00 52.10 H new ATOM 0 HG SER A 16 3.926 29.056 11.912 1.00 62.34 H new ATOM 226 N ILE A 17 4.422 25.876 15.649 1.00 5.40 N ATOM 227 CA ILE A 17 3.618 25.004 16.495 1.00 22.15 C ATOM 228 C ILE A 17 2.419 25.750 17.072 1.00 64.22 C ATOM 229 O ILE A 17 2.519 26.923 17.430 1.00 51.44 O ATOM 230 CB ILE A 17 4.450 24.420 17.653 1.00 74.53 C ATOM 231 CG1 ILE A 17 5.797 23.911 17.136 1.00 50.25 C ATOM 232 CG2 ILE A 17 3.684 23.300 18.342 1.00 2.02 C ATOM 233 CD1 ILE A 17 6.681 23.333 18.219 1.00 51.44 C ATOM 0 H ILE A 17 4.867 26.650 16.143 1.00 5.40 H new ATOM 0 HA ILE A 17 3.266 24.189 15.863 1.00 22.15 H new ATOM 0 HB ILE A 17 4.636 25.209 18.381 1.00 74.53 H new ATOM 0 HG12 ILE A 17 5.621 23.149 16.377 1.00 50.25 H new ATOM 0 HG13 ILE A 17 6.323 24.731 16.648 1.00 50.25 H new ATOM 0 HG21 ILE A 17 4.284 22.897 19.158 1.00 2.02 H new ATOM 0 HG22 ILE A 17 2.747 23.691 18.739 1.00 2.02 H new ATOM 0 HG23 ILE A 17 3.471 22.509 17.623 1.00 2.02 H new ATOM 0 HD11 ILE A 17 7.619 22.992 17.780 1.00 51.44 H new ATOM 0 HD12 ILE A 17 6.888 24.098 18.967 1.00 51.44 H new ATOM 0 HD13 ILE A 17 6.175 22.491 18.691 1.00 51.44 H new ATOM 245 N SER A 18 1.287 25.060 17.160 1.00 32.23 N ATOM 246 CA SER A 18 0.067 25.657 17.692 1.00 43.24 C ATOM 247 C SER A 18 -0.581 24.741 18.725 1.00 72.44 C ATOM 248 O SER A 18 -1.631 24.142 18.489 1.00 0.00 O ATOM 249 CB SER A 18 -0.920 25.947 16.559 1.00 65.51 C ATOM 250 OG SER A 18 -2.016 26.716 17.022 1.00 60.31 O ATOM 0 H SER A 18 1.189 24.087 16.870 1.00 32.23 H new ATOM 0 HA SER A 18 0.334 26.594 18.181 1.00 43.24 H new ATOM 0 HB2 SER A 18 -0.411 26.480 15.756 1.00 65.51 H new ATOM 0 HB3 SER A 18 -1.282 25.009 16.139 1.00 65.51 H new ATOM 0 HG SER A 18 -2.631 26.889 16.279 1.00 60.31 H new ATOM 256 N PRO A 19 0.058 24.627 19.898 1.00 4.21 N ATOM 257 CA PRO A 19 -0.437 23.786 20.992 1.00 52.22 C ATOM 258 C PRO A 19 -1.705 24.347 21.626 1.00 55.44 C ATOM 259 O PRO A 19 -2.002 25.535 21.495 1.00 55.22 O ATOM 260 CB PRO A 19 0.715 23.799 21.999 1.00 1.23 C ATOM 261 CG PRO A 19 1.442 25.070 21.727 1.00 44.43 C ATOM 262 CD PRO A 19 1.314 25.312 20.248 1.00 63.20 C ATOM 0 HA PRO A 19 -0.709 22.788 20.648 1.00 52.22 H new ATOM 0 HB2 PRO A 19 0.345 23.766 23.024 1.00 1.23 H new ATOM 0 HB3 PRO A 19 1.366 22.935 21.867 1.00 1.23 H new ATOM 0 HG2 PRO A 19 1.013 25.895 22.296 1.00 44.43 H new ATOM 0 HG3 PRO A 19 2.489 24.991 22.020 1.00 44.43 H new ATOM 0 HD2 PRO A 19 1.269 26.376 20.017 1.00 63.20 H new ATOM 0 HD3 PRO A 19 2.162 24.902 19.699 1.00 63.20 H new ATOM 270 N ILE A 20 -2.449 23.486 22.312 1.00 0.53 N ATOM 271 CA ILE A 20 -3.684 23.898 22.968 1.00 73.25 C ATOM 272 C ILE A 20 -3.786 23.306 24.369 1.00 13.44 C ATOM 273 O ILE A 20 -3.723 22.091 24.547 1.00 31.21 O ATOM 274 CB ILE A 20 -4.921 23.475 22.153 1.00 12.30 C ATOM 275 CG1 ILE A 20 -6.203 23.886 22.881 1.00 61.20 C ATOM 276 CG2 ILE A 20 -4.904 21.974 21.904 1.00 14.45 C ATOM 277 CD1 ILE A 20 -7.465 23.543 22.122 1.00 74.23 C ATOM 0 H ILE A 20 -2.218 22.499 22.428 1.00 0.53 H new ATOM 0 HA ILE A 20 -3.658 24.986 23.037 1.00 73.25 H new ATOM 0 HB ILE A 20 -4.894 23.983 21.189 1.00 12.30 H new ATOM 0 HG12 ILE A 20 -6.230 23.398 23.855 1.00 61.20 H new ATOM 0 HG13 ILE A 20 -6.179 24.960 23.064 1.00 61.20 H new ATOM 0 HG21 ILE A 20 -5.784 21.691 21.327 1.00 14.45 H new ATOM 0 HG22 ILE A 20 -4.005 21.708 21.348 1.00 14.45 H new ATOM 0 HG23 ILE A 20 -4.910 21.447 22.858 1.00 14.45 H new ATOM 0 HD11 ILE A 20 -8.334 23.863 22.697 1.00 74.23 H new ATOM 0 HD12 ILE A 20 -7.460 24.053 21.158 1.00 74.23 H new ATOM 0 HD13 ILE A 20 -7.512 22.466 21.962 1.00 74.23 H new ATOM 289 N ASN A 21 -3.946 24.175 25.362 1.00 13.51 N ATOM 290 CA ASN A 21 -4.059 23.739 26.749 1.00 3.22 C ATOM 291 C ASN A 21 -5.476 23.264 27.057 1.00 45.01 C ATOM 292 O ASN A 21 -6.403 24.067 27.164 1.00 3.44 O ATOM 293 CB ASN A 21 -3.673 24.877 27.696 1.00 15.34 C ATOM 294 CG ASN A 21 -4.359 26.183 27.341 1.00 64.43 C ATOM 295 OD1 ASN A 21 -5.449 26.478 27.830 1.00 72.52 O ATOM 296 ND2 ASN A 21 -3.720 26.972 26.484 1.00 30.54 N ATOM 0 H ASN A 21 -4.000 25.185 25.232 1.00 13.51 H new ATOM 0 HA ASN A 21 -3.375 22.903 26.898 1.00 3.22 H new ATOM 0 HB2 ASN A 21 -3.932 24.600 28.718 1.00 15.34 H new ATOM 0 HB3 ASN A 21 -2.593 25.018 27.669 1.00 15.34 H new ATOM 0 HD21 ASN A 21 -4.132 27.863 26.207 1.00 30.54 H new ATOM 0 HD22 ASN A 21 -2.818 26.687 26.104 1.00 30.54 H new ATOM 303 N THR A 22 -5.636 21.952 27.198 1.00 33.13 N ATOM 304 CA THR A 22 -6.939 21.369 27.493 1.00 31.11 C ATOM 305 C THR A 22 -6.850 20.380 28.650 1.00 40.30 C ATOM 306 O THR A 22 -5.776 19.864 28.956 1.00 12.01 O ATOM 307 CB THR A 22 -7.524 20.650 26.263 1.00 54.43 C ATOM 308 OG1 THR A 22 -6.886 21.122 25.071 1.00 74.14 O ATOM 309 CG2 THR A 22 -9.025 20.879 26.165 1.00 11.54 C ATOM 0 H THR A 22 -4.880 21.273 27.113 1.00 33.13 H new ATOM 0 HA THR A 22 -7.597 22.192 27.771 1.00 31.11 H new ATOM 0 HB THR A 22 -7.342 19.581 26.374 1.00 54.43 H new ATOM 0 HG1 THR A 22 -7.552 21.216 24.359 1.00 74.14 H new ATOM 0 HG21 THR A 22 -9.416 20.362 25.289 1.00 11.54 H new ATOM 0 HG22 THR A 22 -9.511 20.493 27.061 1.00 11.54 H new ATOM 0 HG23 THR A 22 -9.225 21.947 26.075 1.00 11.54 H new ATOM 317 N ASN A 23 -7.986 20.121 29.289 1.00 20.52 N ATOM 318 CA ASN A 23 -8.036 19.193 30.413 1.00 24.32 C ATOM 319 C ASN A 23 -8.630 17.854 29.987 1.00 31.45 C ATOM 320 O ASN A 23 -9.612 17.807 29.245 1.00 24.14 O ATOM 321 CB ASN A 23 -8.859 19.788 31.557 1.00 2.21 C ATOM 322 CG ASN A 23 -8.668 21.287 31.687 1.00 15.10 C ATOM 323 OD1 ASN A 23 -9.634 22.036 31.837 1.00 50.02 O ATOM 324 ND2 ASN A 23 -7.418 21.732 31.630 1.00 75.22 N ATOM 0 H ASN A 23 -8.884 20.540 29.048 1.00 20.52 H new ATOM 0 HA ASN A 23 -7.016 19.024 30.758 1.00 24.32 H new ATOM 0 HB2 ASN A 23 -9.915 19.572 31.392 1.00 2.21 H new ATOM 0 HB3 ASN A 23 -8.577 19.306 32.493 1.00 2.21 H new ATOM 0 HD21 ASN A 23 -7.228 22.731 31.712 1.00 75.22 H new ATOM 0 HD22 ASN A 23 -6.648 21.075 31.505 1.00 75.22 H new ATOM 331 N ILE A 24 -8.029 16.768 30.463 1.00 73.04 N ATOM 332 CA ILE A 24 -8.500 15.429 30.133 1.00 73.43 C ATOM 333 C ILE A 24 -8.414 14.502 31.341 1.00 13.51 C ATOM 334 O ILE A 24 -7.606 14.716 32.243 1.00 0.34 O ATOM 335 CB ILE A 24 -7.692 14.817 28.973 1.00 0.40 C ATOM 336 CG1 ILE A 24 -6.194 15.033 29.197 1.00 21.04 C ATOM 337 CG2 ILE A 24 -8.127 15.423 27.647 1.00 10.20 C ATOM 338 CD1 ILE A 24 -5.340 13.874 28.733 1.00 33.42 C ATOM 0 H ILE A 24 -7.216 16.790 31.078 1.00 73.04 H new ATOM 0 HA ILE A 24 -9.541 15.528 29.827 1.00 73.43 H new ATOM 0 HB ILE A 24 -7.885 13.745 28.941 1.00 0.40 H new ATOM 0 HG12 ILE A 24 -5.883 15.936 28.672 1.00 21.04 H new ATOM 0 HG13 ILE A 24 -6.015 15.204 30.258 1.00 21.04 H new ATOM 0 HG21 ILE A 24 -7.547 14.981 26.837 1.00 10.20 H new ATOM 0 HG22 ILE A 24 -9.186 15.223 27.486 1.00 10.20 H new ATOM 0 HG23 ILE A 24 -7.960 16.500 27.667 1.00 10.20 H new ATOM 0 HD11 ILE A 24 -4.290 14.097 28.923 1.00 33.42 H new ATOM 0 HD12 ILE A 24 -5.624 12.973 29.276 1.00 33.42 H new ATOM 0 HD13 ILE A 24 -5.490 13.716 27.665 1.00 33.42 H new ATOM 350 N ASN A 25 -9.253 13.471 31.350 1.00 1.32 N ATOM 351 CA ASN A 25 -9.271 12.511 32.447 1.00 20.44 C ATOM 352 C ASN A 25 -9.739 11.141 31.964 1.00 53.50 C ATOM 353 O ASN A 25 -10.323 11.017 30.887 1.00 74.30 O ATOM 354 CB ASN A 25 -10.183 13.006 33.572 1.00 43.22 C ATOM 355 CG ASN A 25 -9.910 12.305 34.889 1.00 51.14 C ATOM 356 OD1 ASN A 25 -10.829 11.813 35.544 1.00 4.24 O ATOM 357 ND2 ASN A 25 -8.643 12.257 35.282 1.00 64.34 N ATOM 0 H ASN A 25 -9.929 13.279 30.610 1.00 1.32 H new ATOM 0 HA ASN A 25 -8.254 12.415 32.828 1.00 20.44 H new ATOM 0 HB2 ASN A 25 -10.047 14.080 33.700 1.00 43.22 H new ATOM 0 HB3 ASN A 25 -11.224 12.848 33.288 1.00 43.22 H new ATOM 0 HD21 ASN A 25 -8.398 11.798 36.160 1.00 64.34 H new ATOM 0 HD22 ASN A 25 -7.914 12.679 34.706 1.00 64.34 H new ATOM 364 N THR A 26 -9.480 10.115 32.768 1.00 5.12 N ATOM 365 CA THR A 26 -9.873 8.755 32.423 1.00 14.02 C ATOM 366 C THR A 26 -9.089 8.244 31.220 1.00 21.12 C ATOM 367 O THR A 26 -9.615 7.497 30.394 1.00 41.42 O ATOM 368 CB THR A 26 -11.380 8.668 32.114 1.00 21.31 C ATOM 369 OG1 THR A 26 -12.081 9.717 32.791 1.00 5.02 O ATOM 370 CG2 THR A 26 -11.942 7.319 32.539 1.00 51.43 C ATOM 0 H THR A 26 -8.999 10.200 33.664 1.00 5.12 H new ATOM 0 HA THR A 26 -9.650 8.132 33.289 1.00 14.02 H new ATOM 0 HB THR A 26 -11.515 8.778 31.038 1.00 21.31 H new ATOM 0 HG1 THR A 26 -13.038 9.655 32.588 1.00 5.02 H new ATOM 0 HG21 THR A 26 -13.007 7.281 32.311 1.00 51.43 H new ATOM 0 HG22 THR A 26 -11.427 6.524 32.000 1.00 51.43 H new ATOM 0 HG23 THR A 26 -11.795 7.185 33.611 1.00 51.43 H new ATOM 378 N THR A 27 -7.826 8.650 31.127 1.00 73.31 N ATOM 379 CA THR A 27 -6.969 8.233 30.024 1.00 31.03 C ATOM 380 C THR A 27 -7.490 8.762 28.693 1.00 70.42 C ATOM 381 O THR A 27 -8.439 8.219 28.126 1.00 10.24 O ATOM 382 CB THR A 27 -6.859 6.698 29.947 1.00 54.50 C ATOM 383 OG1 THR A 27 -6.526 6.166 31.234 1.00 62.34 O ATOM 384 CG2 THR A 27 -5.806 6.282 28.931 1.00 33.23 C ATOM 0 H THR A 27 -7.374 9.267 31.802 1.00 73.31 H new ATOM 0 HA THR A 27 -5.981 8.651 30.216 1.00 31.03 H new ATOM 0 HB THR A 27 -7.823 6.301 29.630 1.00 54.50 H new ATOM 0 HG1 THR A 27 -5.741 6.634 31.588 1.00 62.34 H new ATOM 0 HG21 THR A 27 -5.746 5.194 28.894 1.00 33.23 H new ATOM 0 HG22 THR A 27 -6.079 6.664 27.947 1.00 33.23 H new ATOM 0 HG23 THR A 27 -4.838 6.689 29.223 1.00 33.23 H new ATOM 392 N VAL A 28 -6.863 9.824 28.197 1.00 61.42 N ATOM 393 CA VAL A 28 -7.262 10.425 26.930 1.00 73.31 C ATOM 394 C VAL A 28 -6.055 10.971 26.176 1.00 11.01 C ATOM 395 O VAL A 28 -5.014 11.251 26.770 1.00 22.41 O ATOM 396 CB VAL A 28 -8.278 11.563 27.144 1.00 31.42 C ATOM 397 CG1 VAL A 28 -8.950 11.933 25.831 1.00 74.41 C ATOM 398 CG2 VAL A 28 -9.311 11.165 28.188 1.00 62.21 C ATOM 0 H VAL A 28 -6.076 10.286 28.654 1.00 61.42 H new ATOM 0 HA VAL A 28 -7.729 9.637 26.339 1.00 73.31 H new ATOM 0 HB VAL A 28 -7.744 12.440 27.510 1.00 31.42 H new ATOM 0 HG11 VAL A 28 -9.664 12.738 26.002 1.00 74.41 H new ATOM 0 HG12 VAL A 28 -8.196 12.263 25.116 1.00 74.41 H new ATOM 0 HG13 VAL A 28 -9.472 11.064 25.432 1.00 74.41 H new ATOM 0 HG21 VAL A 28 -10.021 11.980 28.327 1.00 62.21 H new ATOM 0 HG22 VAL A 28 -9.842 10.274 27.853 1.00 62.21 H new ATOM 0 HG23 VAL A 28 -8.811 10.955 29.133 1.00 62.21 H new ATOM 408 N SER A 29 -6.202 11.121 24.864 1.00 53.34 N ATOM 409 CA SER A 29 -5.123 11.632 24.027 1.00 64.52 C ATOM 410 C SER A 29 -5.445 13.034 23.520 1.00 45.02 C ATOM 411 O SER A 29 -6.557 13.303 23.067 1.00 52.32 O ATOM 412 CB SER A 29 -4.879 10.693 22.844 1.00 64.23 C ATOM 413 OG SER A 29 -5.322 9.379 23.135 1.00 35.13 O ATOM 0 H SER A 29 -7.058 10.896 24.357 1.00 53.34 H new ATOM 0 HA SER A 29 -4.219 11.683 24.634 1.00 64.52 H new ATOM 0 HB2 SER A 29 -5.400 11.069 21.964 1.00 64.23 H new ATOM 0 HB3 SER A 29 -3.816 10.676 22.602 1.00 64.23 H new ATOM 0 HG SER A 29 -4.616 8.738 22.909 1.00 35.13 H new ATOM 419 N LYS A 30 -4.462 13.925 23.600 1.00 51.14 N ATOM 420 CA LYS A 30 -4.638 15.300 23.149 1.00 45.54 C ATOM 421 C LYS A 30 -4.077 15.488 21.742 1.00 20.44 C ATOM 422 O LYS A 30 -2.965 15.052 21.446 1.00 42.44 O ATOM 423 CB LYS A 30 -3.951 16.268 24.116 1.00 61.43 C ATOM 424 CG LYS A 30 -4.918 17.019 25.014 1.00 74.22 C ATOM 425 CD LYS A 30 -5.887 17.866 24.205 1.00 22.33 C ATOM 426 CE LYS A 30 -7.328 17.436 24.434 1.00 62.02 C ATOM 427 NZ LYS A 30 -8.286 18.277 23.664 1.00 70.30 N ATOM 0 H LYS A 30 -3.535 13.719 23.973 1.00 51.14 H new ATOM 0 HA LYS A 30 -5.707 15.514 23.127 1.00 45.54 H new ATOM 0 HB2 LYS A 30 -3.249 15.711 24.737 1.00 61.43 H new ATOM 0 HB3 LYS A 30 -3.367 16.988 23.543 1.00 61.43 H new ATOM 0 HG2 LYS A 30 -5.476 16.309 25.624 1.00 74.22 H new ATOM 0 HG3 LYS A 30 -4.359 17.657 25.699 1.00 74.22 H new ATOM 0 HD2 LYS A 30 -5.771 18.915 24.479 1.00 22.33 H new ATOM 0 HD3 LYS A 30 -5.646 17.785 23.145 1.00 22.33 H new ATOM 0 HE2 LYS A 30 -7.446 16.392 24.144 1.00 62.02 H new ATOM 0 HE3 LYS A 30 -7.562 17.500 25.497 1.00 62.02 H new ATOM 0 HZ1 LYS A 30 -9.260 17.997 23.899 1.00 70.30 H new ATOM 0 HZ2 LYS A 30 -8.145 19.278 23.910 1.00 70.30 H new ATOM 0 HZ3 LYS A 30 -8.124 18.144 22.645 1.00 70.30 H new ATOM 441 N GLN A 31 -4.854 16.138 20.882 1.00 3.43 N ATOM 442 CA GLN A 31 -4.433 16.383 19.508 1.00 40.22 C ATOM 443 C GLN A 31 -4.048 17.845 19.309 1.00 52.45 C ATOM 444 O GLN A 31 -4.884 18.741 19.435 1.00 61.31 O ATOM 445 CB GLN A 31 -5.549 16.000 18.535 1.00 71.04 C ATOM 446 CG GLN A 31 -5.214 16.289 17.080 1.00 11.03 C ATOM 447 CD GLN A 31 -4.204 15.313 16.509 1.00 11.41 C ATOM 448 OE1 GLN A 31 -4.544 14.458 15.691 1.00 42.43 O ATOM 449 NE2 GLN A 31 -2.954 15.436 16.938 1.00 5.43 N ATOM 0 H GLN A 31 -5.778 16.504 21.112 1.00 3.43 H new ATOM 0 HA GLN A 31 -3.558 15.766 19.307 1.00 40.22 H new ATOM 0 HB2 GLN A 31 -5.767 14.938 18.645 1.00 71.04 H new ATOM 0 HB3 GLN A 31 -6.456 16.541 18.805 1.00 71.04 H new ATOM 0 HG2 GLN A 31 -6.127 16.250 16.486 1.00 11.03 H new ATOM 0 HG3 GLN A 31 -4.822 17.303 16.996 1.00 11.03 H new ATOM 0 HE21 GLN A 31 -2.717 16.159 17.617 1.00 5.43 H new ATOM 0 HE22 GLN A 31 -2.231 14.807 16.589 1.00 5.43 H new ATOM 458 N PHE A 32 -2.778 18.081 18.997 1.00 70.33 N ATOM 459 CA PHE A 32 -2.282 19.435 18.781 1.00 21.12 C ATOM 460 C PHE A 32 -1.959 19.668 17.308 1.00 33.01 C ATOM 461 O PHE A 32 -2.240 18.823 16.458 1.00 33.32 O ATOM 462 CB PHE A 32 -1.036 19.686 19.634 1.00 54.24 C ATOM 463 CG PHE A 32 0.226 19.149 19.023 1.00 44.31 C ATOM 464 CD1 PHE A 32 0.451 17.784 18.951 1.00 20.05 C ATOM 465 CD2 PHE A 32 1.189 20.010 18.521 1.00 40.04 C ATOM 466 CE1 PHE A 32 1.612 17.286 18.390 1.00 52.53 C ATOM 467 CE2 PHE A 32 2.351 19.518 17.957 1.00 4.43 C ATOM 468 CZ PHE A 32 2.564 18.155 17.893 1.00 53.11 C ATOM 0 H PHE A 32 -2.073 17.352 18.888 1.00 70.33 H new ATOM 0 HA PHE A 32 -3.064 20.133 19.078 1.00 21.12 H new ATOM 0 HB2 PHE A 32 -0.925 20.758 19.794 1.00 54.24 H new ATOM 0 HB3 PHE A 32 -1.178 19.230 20.614 1.00 54.24 H new ATOM 0 HD1 PHE A 32 -0.290 17.100 19.338 1.00 20.05 H new ATOM 0 HD2 PHE A 32 1.030 21.077 18.571 1.00 40.04 H new ATOM 0 HE1 PHE A 32 1.775 16.219 18.340 1.00 52.53 H new ATOM 0 HE2 PHE A 32 3.092 20.199 17.566 1.00 4.43 H new ATOM 0 HZ PHE A 32 3.473 17.769 17.455 1.00 53.11 H new ATOM 478 N PHE A 33 -1.368 20.821 17.013 1.00 20.04 N ATOM 479 CA PHE A 33 -1.008 21.167 15.643 1.00 11.33 C ATOM 480 C PHE A 33 0.504 21.311 15.498 1.00 41.10 C ATOM 481 O PHE A 33 1.170 21.878 16.364 1.00 64.34 O ATOM 482 CB PHE A 33 -1.698 22.468 15.225 1.00 22.44 C ATOM 483 CG PHE A 33 -3.044 22.256 14.594 1.00 61.15 C ATOM 484 CD1 PHE A 33 -3.161 22.078 13.224 1.00 0.34 C ATOM 485 CD2 PHE A 33 -4.192 22.235 15.369 1.00 52.13 C ATOM 486 CE1 PHE A 33 -4.398 21.883 12.640 1.00 71.23 C ATOM 487 CE2 PHE A 33 -5.432 22.040 14.790 1.00 62.43 C ATOM 488 CZ PHE A 33 -5.535 21.865 13.423 1.00 31.55 C ATOM 0 H PHE A 33 -1.128 21.532 17.704 1.00 20.04 H new ATOM 0 HA PHE A 33 -1.343 20.360 14.991 1.00 11.33 H new ATOM 0 HB2 PHE A 33 -1.813 23.107 16.101 1.00 22.44 H new ATOM 0 HB3 PHE A 33 -1.056 23.001 14.523 1.00 22.44 H new ATOM 0 HD1 PHE A 33 -2.275 22.092 12.606 1.00 0.34 H new ATOM 0 HD2 PHE A 33 -4.117 22.373 16.438 1.00 52.13 H new ATOM 0 HE1 PHE A 33 -4.475 21.745 11.572 1.00 71.23 H new ATOM 0 HE2 PHE A 33 -6.319 22.024 15.405 1.00 62.43 H new ATOM 0 HZ PHE A 33 -6.503 21.714 12.968 1.00 31.55 H new ATOM 498 N ALA A 34 1.039 20.793 14.397 1.00 34.11 N ATOM 499 CA ALA A 34 2.471 20.864 14.137 1.00 50.32 C ATOM 500 C ALA A 34 2.748 21.132 12.661 1.00 22.04 C ATOM 501 O ALA A 34 2.300 20.387 11.790 1.00 63.41 O ATOM 502 CB ALA A 34 3.152 19.578 14.579 1.00 65.31 C ATOM 0 H ALA A 34 0.502 20.320 13.671 1.00 34.11 H new ATOM 0 HA ALA A 34 2.879 21.694 14.713 1.00 50.32 H new ATOM 0 HB1 ALA A 34 4.221 19.645 14.379 1.00 65.31 H new ATOM 0 HB2 ALA A 34 2.991 19.430 15.647 1.00 65.31 H new ATOM 0 HB3 ALA A 34 2.732 18.736 14.029 1.00 65.31 H new ATOM 508 N VAL A 35 3.489 22.201 12.388 1.00 51.34 N ATOM 509 CA VAL A 35 3.826 22.567 11.017 1.00 1.21 C ATOM 510 C VAL A 35 5.325 22.801 10.864 1.00 72.54 C ATOM 511 O VAL A 35 5.959 23.416 11.719 1.00 12.43 O ATOM 512 CB VAL A 35 3.072 23.835 10.573 1.00 62.20 C ATOM 513 CG1 VAL A 35 3.264 24.076 9.083 1.00 32.14 C ATOM 514 CG2 VAL A 35 1.595 23.724 10.918 1.00 73.32 C ATOM 0 H VAL A 35 3.867 22.829 13.097 1.00 51.34 H new ATOM 0 HA VAL A 35 3.524 21.733 10.383 1.00 1.21 H new ATOM 0 HB VAL A 35 3.484 24.689 11.111 1.00 62.20 H new ATOM 0 HG11 VAL A 35 2.724 24.976 8.787 1.00 32.14 H new ATOM 0 HG12 VAL A 35 4.325 24.203 8.869 1.00 32.14 H new ATOM 0 HG13 VAL A 35 2.880 23.223 8.524 1.00 32.14 H new ATOM 0 HG21 VAL A 35 1.078 24.628 10.597 1.00 73.32 H new ATOM 0 HG22 VAL A 35 1.166 22.861 10.409 1.00 73.32 H new ATOM 0 HG23 VAL A 35 1.481 23.603 11.995 1.00 73.32 H new ATOM 524 N GLY A 36 5.886 22.304 9.765 1.00 22.23 N ATOM 525 CA GLY A 36 7.307 22.469 9.519 1.00 72.33 C ATOM 526 C GLY A 36 7.588 23.347 8.315 1.00 23.54 C ATOM 527 O GLY A 36 6.970 23.187 7.262 1.00 2.32 O ATOM 0 H GLY A 36 5.382 21.791 9.042 1.00 22.23 H new ATOM 0 HA2 GLY A 36 7.777 22.905 10.401 1.00 72.33 H new ATOM 0 HA3 GLY A 36 7.762 21.491 9.366 1.00 72.33 H new ATOM 531 N THR A 37 8.524 24.278 8.470 1.00 12.55 N ATOM 532 CA THR A 37 8.884 25.187 7.389 1.00 10.04 C ATOM 533 C THR A 37 10.313 24.943 6.919 1.00 24.04 C ATOM 534 O THR A 37 11.268 25.164 7.664 1.00 24.14 O ATOM 535 CB THR A 37 8.742 26.659 7.822 1.00 71.35 C ATOM 536 OG1 THR A 37 7.478 26.861 8.463 1.00 54.25 O ATOM 537 CG2 THR A 37 8.864 27.589 6.624 1.00 73.42 C ATOM 0 H THR A 37 9.047 24.422 9.334 1.00 12.55 H new ATOM 0 HA THR A 37 8.195 24.990 6.567 1.00 10.04 H new ATOM 0 HB THR A 37 9.545 26.888 8.523 1.00 71.35 H new ATOM 0 HG1 THR A 37 7.396 27.798 8.737 1.00 54.25 H new ATOM 0 HG21 THR A 37 8.761 28.623 6.954 1.00 73.42 H new ATOM 0 HG22 THR A 37 9.839 27.453 6.156 1.00 73.42 H new ATOM 0 HG23 THR A 37 8.080 27.358 5.903 1.00 73.42 H new ATOM 545 N TYR A 38 10.454 24.487 5.680 1.00 73.03 N ATOM 546 CA TYR A 38 11.768 24.211 5.111 1.00 53.31 C ATOM 547 C TYR A 38 12.473 25.505 4.716 1.00 53.31 C ATOM 548 O TYR A 38 11.831 26.481 4.326 1.00 23.11 O ATOM 549 CB TYR A 38 11.637 23.296 3.892 1.00 2.13 C ATOM 550 CG TYR A 38 11.138 21.909 4.227 1.00 34.15 C ATOM 551 CD1 TYR A 38 9.778 21.650 4.349 1.00 72.31 C ATOM 552 CD2 TYR A 38 12.025 20.858 4.424 1.00 72.02 C ATOM 553 CE1 TYR A 38 9.317 20.384 4.656 1.00 54.13 C ATOM 554 CE2 TYR A 38 11.573 19.589 4.729 1.00 14.04 C ATOM 555 CZ TYR A 38 10.218 19.357 4.845 1.00 52.15 C ATOM 556 OH TYR A 38 9.763 18.095 5.150 1.00 24.32 O ATOM 0 H TYR A 38 9.674 24.300 5.050 1.00 73.03 H new ATOM 0 HA TYR A 38 12.367 23.709 5.871 1.00 53.31 H new ATOM 0 HB2 TYR A 38 10.956 23.755 3.175 1.00 2.13 H new ATOM 0 HB3 TYR A 38 12.608 23.215 3.403 1.00 2.13 H new ATOM 0 HD1 TYR A 38 9.070 22.452 4.201 1.00 72.31 H new ATOM 0 HD2 TYR A 38 13.087 21.036 4.337 1.00 72.02 H new ATOM 0 HE1 TYR A 38 8.257 20.200 4.747 1.00 54.13 H new ATOM 0 HE2 TYR A 38 12.276 18.783 4.876 1.00 14.04 H new ATOM 0 HH TYR A 38 10.526 17.488 5.250 1.00 24.32 H new ATOM 566 N SER A 39 13.798 25.505 4.820 1.00 71.25 N ATOM 567 CA SER A 39 14.592 26.679 4.477 1.00 71.14 C ATOM 568 C SER A 39 14.417 27.042 3.005 1.00 23.11 C ATOM 569 O SER A 39 14.725 28.159 2.589 1.00 15.22 O ATOM 570 CB SER A 39 16.070 26.427 4.780 1.00 42.34 C ATOM 571 OG SER A 39 16.767 26.020 3.615 1.00 44.40 O ATOM 0 H SER A 39 14.344 24.705 5.139 1.00 71.25 H new ATOM 0 HA SER A 39 14.242 27.514 5.083 1.00 71.14 H new ATOM 0 HB2 SER A 39 16.522 27.334 5.180 1.00 42.34 H new ATOM 0 HB3 SER A 39 16.161 25.660 5.549 1.00 42.34 H new ATOM 0 HG SER A 39 17.710 25.867 3.835 1.00 44.40 H new ATOM 577 N ASP A 40 13.922 26.090 2.222 1.00 21.33 N ATOM 578 CA ASP A 40 13.705 26.308 0.797 1.00 71.32 C ATOM 579 C ASP A 40 12.557 27.285 0.565 1.00 13.13 C ATOM 580 O ASP A 40 12.344 27.755 -0.551 1.00 74.15 O ATOM 581 CB ASP A 40 13.411 24.981 0.095 1.00 30.11 C ATOM 582 CG ASP A 40 14.347 24.722 -1.069 1.00 20.20 C ATOM 583 OD1 ASP A 40 14.289 25.482 -2.058 1.00 53.13 O ATOM 584 OD2 ASP A 40 15.139 23.759 -0.990 1.00 55.34 O ATOM 0 H ASP A 40 13.663 25.160 2.550 1.00 21.33 H new ATOM 0 HA ASP A 40 14.615 26.738 0.378 1.00 71.32 H new ATOM 0 HB2 ASP A 40 13.496 24.166 0.814 1.00 30.11 H new ATOM 0 HB3 ASP A 40 12.382 24.983 -0.264 1.00 30.11 H new ATOM 589 N GLY A 41 11.819 27.586 1.630 1.00 54.24 N ATOM 590 CA GLY A 41 10.700 28.505 1.521 1.00 24.20 C ATOM 591 C GLY A 41 9.375 27.788 1.356 1.00 61.11 C ATOM 592 O GLY A 41 8.529 28.204 0.564 1.00 40.33 O ATOM 0 H GLY A 41 11.976 27.210 2.565 1.00 54.24 H new ATOM 0 HA2 GLY A 41 10.661 29.133 2.411 1.00 24.20 H new ATOM 0 HA3 GLY A 41 10.859 29.168 0.670 1.00 24.20 H new ATOM 596 N THR A 42 9.193 26.705 2.105 1.00 75.43 N ATOM 597 CA THR A 42 7.962 25.926 2.036 1.00 43.31 C ATOM 598 C THR A 42 7.405 25.655 3.428 1.00 32.24 C ATOM 599 O THR A 42 8.096 25.836 4.431 1.00 35.44 O ATOM 600 CB THR A 42 8.186 24.584 1.314 1.00 24.13 C ATOM 601 OG1 THR A 42 9.509 24.536 0.768 1.00 2.22 O ATOM 602 CG2 THR A 42 7.166 24.390 0.203 1.00 40.12 C ATOM 0 H THR A 42 9.882 26.347 2.766 1.00 75.43 H new ATOM 0 HA THR A 42 7.244 26.519 1.469 1.00 43.31 H new ATOM 0 HB THR A 42 8.064 23.781 2.041 1.00 24.13 H new ATOM 0 HG1 THR A 42 9.644 23.679 0.312 1.00 2.22 H new ATOM 0 HG21 THR A 42 7.344 23.436 -0.292 1.00 40.12 H new ATOM 0 HG22 THR A 42 6.161 24.397 0.626 1.00 40.12 H new ATOM 0 HG23 THR A 42 7.260 25.198 -0.522 1.00 40.12 H new ATOM 610 N LYS A 43 6.151 25.219 3.484 1.00 72.01 N ATOM 611 CA LYS A 43 5.500 24.920 4.754 1.00 53.02 C ATOM 612 C LYS A 43 4.495 23.784 4.596 1.00 74.43 C ATOM 613 O LYS A 43 3.644 23.814 3.707 1.00 65.25 O ATOM 614 CB LYS A 43 4.796 26.166 5.295 1.00 15.23 C ATOM 615 CG LYS A 43 4.053 25.927 6.599 1.00 43.43 C ATOM 616 CD LYS A 43 3.286 27.163 7.038 1.00 53.11 C ATOM 617 CE LYS A 43 1.871 27.168 6.479 1.00 41.30 C ATOM 618 NZ LYS A 43 0.971 28.065 7.256 1.00 20.31 N ATOM 0 H LYS A 43 5.565 25.065 2.664 1.00 72.01 H new ATOM 0 HA LYS A 43 6.267 24.607 5.462 1.00 53.02 H new ATOM 0 HB2 LYS A 43 5.534 26.953 5.446 1.00 15.23 H new ATOM 0 HB3 LYS A 43 4.092 26.529 4.546 1.00 15.23 H new ATOM 0 HG2 LYS A 43 3.362 25.093 6.478 1.00 43.43 H new ATOM 0 HG3 LYS A 43 4.762 25.643 7.376 1.00 43.43 H new ATOM 0 HD2 LYS A 43 3.249 27.202 8.127 1.00 53.11 H new ATOM 0 HD3 LYS A 43 3.813 28.057 6.705 1.00 53.11 H new ATOM 0 HE2 LYS A 43 1.893 27.489 5.438 1.00 41.30 H new ATOM 0 HE3 LYS A 43 1.472 26.154 6.491 1.00 41.30 H new ATOM 0 HZ1 LYS A 43 0.016 28.041 6.844 1.00 20.31 H new ATOM 0 HZ2 LYS A 43 0.930 27.744 8.244 1.00 20.31 H new ATOM 0 HZ3 LYS A 43 1.338 29.038 7.223 1.00 20.31 H new ATOM 632 N ALA A 44 4.597 22.784 5.465 1.00 65.52 N ATOM 633 CA ALA A 44 3.695 21.640 5.423 1.00 22.53 C ATOM 634 C ALA A 44 3.512 21.034 6.811 1.00 40.11 C ATOM 635 O ALA A 44 4.472 20.895 7.569 1.00 32.52 O ATOM 636 CB ALA A 44 4.217 20.591 4.452 1.00 20.34 C ATOM 0 H ALA A 44 5.296 22.743 6.207 1.00 65.52 H new ATOM 0 HA ALA A 44 2.722 21.988 5.076 1.00 22.53 H new ATOM 0 HB1 ALA A 44 3.533 19.742 4.431 1.00 20.34 H new ATOM 0 HB2 ALA A 44 4.290 21.023 3.454 1.00 20.34 H new ATOM 0 HB3 ALA A 44 5.202 20.255 4.775 1.00 20.34 H new ATOM 642 N ASP A 45 2.275 20.677 7.137 1.00 53.22 N ATOM 643 CA ASP A 45 1.966 20.086 8.434 1.00 51.23 C ATOM 644 C ASP A 45 2.739 18.787 8.637 1.00 71.23 C ATOM 645 O ASP A 45 2.341 17.731 8.142 1.00 41.44 O ATOM 646 CB ASP A 45 0.464 19.825 8.554 1.00 33.42 C ATOM 647 CG ASP A 45 -0.123 19.224 7.292 1.00 45.24 C ATOM 648 OD1 ASP A 45 -0.038 17.989 7.128 1.00 45.45 O ATOM 649 OD2 ASP A 45 -0.666 19.989 6.467 1.00 4.31 O ATOM 0 H ASP A 45 1.469 20.786 6.521 1.00 53.22 H new ATOM 0 HA ASP A 45 2.267 20.791 9.209 1.00 51.23 H new ATOM 0 HB2 ASP A 45 0.281 19.152 9.392 1.00 33.42 H new ATOM 0 HB3 ASP A 45 -0.047 20.761 8.779 1.00 33.42 H new ATOM 654 N LEU A 46 3.846 18.871 9.366 1.00 33.25 N ATOM 655 CA LEU A 46 4.676 17.702 9.634 1.00 20.35 C ATOM 656 C LEU A 46 4.889 17.517 11.134 1.00 72.15 C ATOM 657 O LEU A 46 5.361 18.423 11.821 1.00 23.44 O ATOM 658 CB LEU A 46 6.026 17.838 8.929 1.00 5.31 C ATOM 659 CG LEU A 46 5.977 18.257 7.459 1.00 32.13 C ATOM 660 CD1 LEU A 46 6.934 19.410 7.200 1.00 11.01 C ATOM 661 CD2 LEU A 46 6.305 17.076 6.557 1.00 15.21 C ATOM 0 H LEU A 46 4.190 19.736 9.782 1.00 33.25 H new ATOM 0 HA LEU A 46 4.158 16.824 9.248 1.00 20.35 H new ATOM 0 HB2 LEU A 46 6.626 18.567 9.474 1.00 5.31 H new ATOM 0 HB3 LEU A 46 6.546 16.883 8.996 1.00 5.31 H new ATOM 0 HG LEU A 46 4.966 18.593 7.230 1.00 32.13 H new ATOM 0 HD11 LEU A 46 6.885 19.694 6.149 1.00 11.01 H new ATOM 0 HD12 LEU A 46 6.654 20.262 7.820 1.00 11.01 H new ATOM 0 HD13 LEU A 46 7.950 19.102 7.446 1.00 11.01 H new ATOM 0 HD21 LEU A 46 6.265 17.392 5.515 1.00 15.21 H new ATOM 0 HD22 LEU A 46 7.305 16.709 6.787 1.00 15.21 H new ATOM 0 HD23 LEU A 46 5.579 16.279 6.722 1.00 15.21 H new ATOM 673 N THR A 47 4.539 16.336 11.635 1.00 52.32 N ATOM 674 CA THR A 47 4.692 16.032 13.052 1.00 61.33 C ATOM 675 C THR A 47 5.606 14.830 13.260 1.00 70.41 C ATOM 676 O THR A 47 6.307 14.738 14.268 1.00 75.51 O ATOM 677 CB THR A 47 3.331 15.749 13.716 1.00 24.00 C ATOM 678 OG1 THR A 47 2.270 16.215 12.875 1.00 33.55 O ATOM 679 CG2 THR A 47 3.242 16.425 15.076 1.00 42.12 C ATOM 0 H THR A 47 4.148 15.575 11.080 1.00 52.32 H new ATOM 0 HA THR A 47 5.139 16.910 13.518 1.00 61.33 H new ATOM 0 HB THR A 47 3.236 14.672 13.857 1.00 24.00 H new ATOM 0 HG1 THR A 47 1.456 16.329 13.408 1.00 33.55 H new ATOM 0 HG21 THR A 47 2.272 16.211 15.526 1.00 42.12 H new ATOM 0 HG22 THR A 47 4.034 16.047 15.723 1.00 42.12 H new ATOM 0 HG23 THR A 47 3.356 17.502 14.955 1.00 42.12 H new ATOM 687 N SER A 48 5.595 13.910 12.300 1.00 14.11 N ATOM 688 CA SER A 48 6.421 12.711 12.380 1.00 12.22 C ATOM 689 C SER A 48 7.897 13.076 12.502 1.00 43.15 C ATOM 690 O SER A 48 8.695 12.311 13.044 1.00 74.02 O ATOM 691 CB SER A 48 6.201 11.831 11.148 1.00 12.31 C ATOM 692 OG SER A 48 6.926 10.619 11.251 1.00 24.54 O ATOM 0 H SER A 48 5.023 13.972 11.458 1.00 14.11 H new ATOM 0 HA SER A 48 6.127 12.156 13.271 1.00 12.22 H new ATOM 0 HB2 SER A 48 5.139 11.614 11.037 1.00 12.31 H new ATOM 0 HB3 SER A 48 6.512 12.369 10.253 1.00 12.31 H new ATOM 0 HG SER A 48 6.767 10.074 10.452 1.00 24.54 H new ATOM 698 N SER A 49 8.254 14.251 11.992 1.00 32.12 N ATOM 699 CA SER A 49 9.635 14.717 12.039 1.00 14.23 C ATOM 700 C SER A 49 9.970 15.283 13.416 1.00 42.43 C ATOM 701 O SER A 49 11.139 15.453 13.762 1.00 64.20 O ATOM 702 CB SER A 49 9.873 15.781 10.966 1.00 71.22 C ATOM 703 OG SER A 49 11.223 15.778 10.536 1.00 62.11 O ATOM 0 H SER A 49 7.606 14.897 11.542 1.00 32.12 H new ATOM 0 HA SER A 49 10.287 13.865 11.847 1.00 14.23 H new ATOM 0 HB2 SER A 49 9.217 15.597 10.115 1.00 71.22 H new ATOM 0 HB3 SER A 49 9.616 16.764 11.361 1.00 71.22 H new ATOM 0 HG SER A 49 11.536 16.701 10.434 1.00 62.11 H new ATOM 709 N VAL A 50 8.935 15.575 14.197 1.00 21.53 N ATOM 710 CA VAL A 50 9.118 16.121 15.537 1.00 63.23 C ATOM 711 C VAL A 50 9.140 15.013 16.584 1.00 72.02 C ATOM 712 O VAL A 50 8.520 13.964 16.407 1.00 20.52 O ATOM 713 CB VAL A 50 8.005 17.125 15.890 1.00 22.13 C ATOM 714 CG1 VAL A 50 8.322 17.835 17.197 1.00 3.34 C ATOM 715 CG2 VAL A 50 7.814 18.127 14.762 1.00 42.10 C ATOM 0 H VAL A 50 7.961 15.443 13.925 1.00 21.53 H new ATOM 0 HA VAL A 50 10.078 16.638 15.540 1.00 63.23 H new ATOM 0 HB VAL A 50 7.072 16.576 16.019 1.00 22.13 H new ATOM 0 HG11 VAL A 50 7.525 18.541 17.430 1.00 3.34 H new ATOM 0 HG12 VAL A 50 8.404 17.101 17.999 1.00 3.34 H new ATOM 0 HG13 VAL A 50 9.265 18.373 17.100 1.00 3.34 H new ATOM 0 HG21 VAL A 50 7.024 18.829 15.029 1.00 42.10 H new ATOM 0 HG22 VAL A 50 8.744 18.672 14.598 1.00 42.10 H new ATOM 0 HG23 VAL A 50 7.538 17.599 13.849 1.00 42.10 H new ATOM 725 N THR A 51 9.858 15.253 17.677 1.00 73.02 N ATOM 726 CA THR A 51 9.961 14.276 18.753 1.00 21.11 C ATOM 727 C THR A 51 9.145 14.706 19.967 1.00 44.42 C ATOM 728 O THR A 51 9.161 15.875 20.354 1.00 60.21 O ATOM 729 CB THR A 51 11.426 14.065 19.182 1.00 75.14 C ATOM 730 OG1 THR A 51 12.307 14.672 18.230 1.00 13.32 O ATOM 731 CG2 THR A 51 11.746 12.583 19.303 1.00 73.32 C ATOM 0 H THR A 51 10.377 16.116 17.840 1.00 73.02 H new ATOM 0 HA THR A 51 9.564 13.337 18.366 1.00 21.11 H new ATOM 0 HB THR A 51 11.567 14.532 20.157 1.00 75.14 H new ATOM 0 HG1 THR A 51 13.236 14.535 18.510 1.00 13.32 H new ATOM 0 HG21 THR A 51 12.785 12.459 19.607 1.00 73.32 H new ATOM 0 HG22 THR A 51 11.093 12.130 20.049 1.00 73.32 H new ATOM 0 HG23 THR A 51 11.589 12.097 18.340 1.00 73.32 H new ATOM 739 N TRP A 52 8.435 13.756 20.563 1.00 13.21 N ATOM 740 CA TRP A 52 7.613 14.038 21.735 1.00 53.25 C ATOM 741 C TRP A 52 8.219 13.416 22.988 1.00 41.24 C ATOM 742 O TRP A 52 8.638 12.259 22.977 1.00 63.14 O ATOM 743 CB TRP A 52 6.192 13.511 21.525 1.00 41.40 C ATOM 744 CG TRP A 52 5.612 13.880 20.193 1.00 64.01 C ATOM 745 CD1 TRP A 52 4.729 14.889 19.934 1.00 33.43 C ATOM 746 CD2 TRP A 52 5.874 13.242 18.938 1.00 24.02 C ATOM 747 NE1 TRP A 52 4.426 14.916 18.594 1.00 15.14 N ATOM 748 CE2 TRP A 52 5.116 13.917 17.961 1.00 21.34 C ATOM 749 CE3 TRP A 52 6.677 12.168 18.544 1.00 1.14 C ATOM 750 CZ2 TRP A 52 5.138 13.550 16.618 1.00 13.14 C ATOM 751 CZ3 TRP A 52 6.697 11.805 17.211 1.00 2.31 C ATOM 752 CH2 TRP A 52 5.932 12.495 16.261 1.00 64.00 C ATOM 0 H TRP A 52 8.411 12.784 20.255 1.00 13.21 H new ATOM 0 HA TRP A 52 7.576 15.119 21.871 1.00 53.25 H new ATOM 0 HB2 TRP A 52 6.197 12.425 21.623 1.00 41.40 H new ATOM 0 HB3 TRP A 52 5.548 13.899 22.314 1.00 41.40 H new ATOM 0 HD1 TRP A 52 4.328 15.566 20.674 1.00 33.43 H new ATOM 0 HE1 TRP A 52 3.790 15.574 18.144 1.00 15.14 H new ATOM 0 HE3 TRP A 52 7.271 11.631 19.269 1.00 1.14 H new ATOM 0 HZ2 TRP A 52 4.549 14.080 15.884 1.00 13.14 H new ATOM 0 HZ3 TRP A 52 7.313 10.975 16.896 1.00 2.31 H new ATOM 0 HH2 TRP A 52 5.970 12.188 15.226 1.00 64.00 H new ATOM 763 N SER A 53 8.262 14.192 24.066 1.00 24.54 N ATOM 764 CA SER A 53 8.821 13.717 25.327 1.00 63.22 C ATOM 765 C SER A 53 7.967 14.174 26.506 1.00 65.41 C ATOM 766 O SER A 53 7.682 15.362 26.656 1.00 21.54 O ATOM 767 CB SER A 53 10.256 14.222 25.495 1.00 34.44 C ATOM 768 OG SER A 53 11.175 13.144 25.525 1.00 23.10 O ATOM 0 H SER A 53 7.917 15.152 24.092 1.00 24.54 H new ATOM 0 HA SER A 53 8.827 12.627 25.306 1.00 63.22 H new ATOM 0 HB2 SER A 53 10.506 14.895 24.675 1.00 34.44 H new ATOM 0 HB3 SER A 53 10.337 14.799 26.416 1.00 34.44 H new ATOM 0 HG SER A 53 12.085 13.493 25.631 1.00 23.10 H new ATOM 774 N SER A 54 7.563 13.221 27.340 1.00 71.24 N ATOM 775 CA SER A 54 6.738 13.523 28.504 1.00 43.23 C ATOM 776 C SER A 54 7.505 13.258 29.796 1.00 73.10 C ATOM 777 O SER A 54 8.426 12.442 29.828 1.00 40.20 O ATOM 778 CB SER A 54 5.456 12.689 28.477 1.00 1.14 C ATOM 779 OG SER A 54 4.491 13.264 27.614 1.00 41.42 O ATOM 0 H SER A 54 7.794 12.233 27.231 1.00 71.24 H new ATOM 0 HA SER A 54 6.475 14.580 28.469 1.00 43.23 H new ATOM 0 HB2 SER A 54 5.685 11.675 28.148 1.00 1.14 H new ATOM 0 HB3 SER A 54 5.047 12.612 29.485 1.00 1.14 H new ATOM 0 HG SER A 54 3.682 12.711 27.613 1.00 41.42 H new ATOM 785 N SER A 55 7.117 13.953 30.860 1.00 13.41 N ATOM 786 CA SER A 55 7.769 13.797 32.155 1.00 72.10 C ATOM 787 C SER A 55 7.746 12.338 32.602 1.00 43.32 C ATOM 788 O SER A 55 8.762 11.646 32.548 1.00 33.15 O ATOM 789 CB SER A 55 7.083 14.674 33.204 1.00 2.23 C ATOM 790 OG SER A 55 7.634 15.980 33.216 1.00 73.10 O ATOM 0 H SER A 55 6.354 14.630 30.851 1.00 13.41 H new ATOM 0 HA SER A 55 8.808 14.111 32.052 1.00 72.10 H new ATOM 0 HB2 SER A 55 6.015 14.729 32.995 1.00 2.23 H new ATOM 0 HB3 SER A 55 7.192 14.221 34.189 1.00 2.23 H new ATOM 0 HG SER A 55 7.178 16.521 33.893 1.00 73.10 H new ATOM 796 N ASN A 56 6.580 11.879 33.042 1.00 34.14 N ATOM 797 CA ASN A 56 6.423 10.503 33.500 1.00 64.24 C ATOM 798 C ASN A 56 6.266 9.551 32.317 1.00 4.43 C ATOM 799 O ASN A 56 5.558 9.852 31.357 1.00 34.41 O ATOM 800 CB ASN A 56 5.212 10.386 34.427 1.00 22.11 C ATOM 801 CG ASN A 56 5.024 11.619 35.290 1.00 74.41 C ATOM 802 OD1 ASN A 56 5.992 12.271 35.679 1.00 10.53 O ATOM 803 ND2 ASN A 56 3.772 11.943 35.593 1.00 31.40 N ATOM 0 H ASN A 56 5.729 12.439 33.091 1.00 34.14 H new ATOM 0 HA ASN A 56 7.321 10.225 34.051 1.00 64.24 H new ATOM 0 HB2 ASN A 56 4.315 10.224 33.830 1.00 22.11 H new ATOM 0 HB3 ASN A 56 5.331 9.512 35.067 1.00 22.11 H new ATOM 0 HD21 ASN A 56 3.583 12.762 36.171 1.00 31.40 H new ATOM 0 HD22 ASN A 56 3.000 11.373 35.248 1.00 31.40 H new ATOM 810 N GLN A 57 6.932 8.404 32.396 1.00 61.32 N ATOM 811 CA GLN A 57 6.866 7.409 31.332 1.00 22.41 C ATOM 812 C GLN A 57 5.499 6.733 31.303 1.00 63.13 C ATOM 813 O GLN A 57 5.172 6.013 30.359 1.00 11.14 O ATOM 814 CB GLN A 57 7.963 6.359 31.518 1.00 22.02 C ATOM 815 CG GLN A 57 8.554 5.858 30.210 1.00 4.33 C ATOM 816 CD GLN A 57 7.791 4.681 29.637 1.00 33.35 C ATOM 817 OE1 GLN A 57 7.149 3.927 30.370 1.00 54.14 O ATOM 818 NE2 GLN A 57 7.856 4.516 28.321 1.00 20.05 N ATOM 0 H GLN A 57 7.523 8.141 33.185 1.00 61.32 H new ATOM 0 HA GLN A 57 7.019 7.920 30.381 1.00 22.41 H new ATOM 0 HB2 GLN A 57 8.760 6.783 32.128 1.00 22.02 H new ATOM 0 HB3 GLN A 57 7.554 5.513 32.070 1.00 22.02 H new ATOM 0 HG2 GLN A 57 8.559 6.671 29.484 1.00 4.33 H new ATOM 0 HG3 GLN A 57 9.592 5.569 30.372 1.00 4.33 H new ATOM 0 HE21 GLN A 57 8.400 5.165 27.752 1.00 20.05 H new ATOM 0 HE22 GLN A 57 7.362 3.741 27.879 1.00 20.05 H new ATOM 827 N SER A 58 4.705 6.969 32.342 1.00 2.51 N ATOM 828 CA SER A 58 3.375 6.380 32.437 1.00 13.23 C ATOM 829 C SER A 58 2.458 6.929 31.348 1.00 63.00 C ATOM 830 O SER A 58 1.730 6.178 30.699 1.00 3.31 O ATOM 831 CB SER A 58 2.769 6.655 33.815 1.00 4.32 C ATOM 832 OG SER A 58 3.105 5.630 34.734 1.00 61.33 O ATOM 0 H SER A 58 4.960 7.564 33.130 1.00 2.51 H new ATOM 0 HA SER A 58 3.472 5.303 32.298 1.00 13.23 H new ATOM 0 HB2 SER A 58 3.127 7.614 34.188 1.00 4.32 H new ATOM 0 HB3 SER A 58 1.685 6.731 33.730 1.00 4.32 H new ATOM 0 HG SER A 58 2.707 5.830 35.607 1.00 61.33 H new ATOM 838 N GLN A 59 2.501 8.243 31.154 1.00 11.22 N ATOM 839 CA GLN A 59 1.674 8.893 30.144 1.00 1.13 C ATOM 840 C GLN A 59 2.473 9.153 28.871 1.00 31.53 C ATOM 841 O GLN A 59 1.954 9.709 27.904 1.00 61.21 O ATOM 842 CB GLN A 59 1.112 10.209 30.685 1.00 51.12 C ATOM 843 CG GLN A 59 2.179 11.158 31.206 1.00 51.11 C ATOM 844 CD GLN A 59 2.200 11.238 32.720 1.00 52.34 C ATOM 845 OE1 GLN A 59 2.433 12.303 33.293 1.00 24.52 O ATOM 846 NE2 GLN A 59 1.955 10.110 33.376 1.00 50.21 N ATOM 0 H GLN A 59 3.099 8.878 31.682 1.00 11.22 H new ATOM 0 HA GLN A 59 0.847 8.225 29.902 1.00 1.13 H new ATOM 0 HB2 GLN A 59 0.550 10.706 29.895 1.00 51.12 H new ATOM 0 HB3 GLN A 59 0.408 9.991 31.488 1.00 51.12 H new ATOM 0 HG2 GLN A 59 3.156 10.831 30.850 1.00 51.11 H new ATOM 0 HG3 GLN A 59 2.007 12.153 30.796 1.00 51.11 H new ATOM 0 HE21 GLN A 59 1.767 9.251 32.860 1.00 50.21 H new ATOM 0 HE22 GLN A 59 1.955 10.103 34.396 1.00 50.21 H new ATOM 855 N ALA A 60 3.738 8.746 28.879 1.00 2.04 N ATOM 856 CA ALA A 60 4.608 8.933 27.725 1.00 41.11 C ATOM 857 C ALA A 60 4.147 8.083 26.546 1.00 34.53 C ATOM 858 O ALA A 60 4.666 6.990 26.314 1.00 15.44 O ATOM 859 CB ALA A 60 6.047 8.598 28.089 1.00 40.24 C ATOM 0 H ALA A 60 4.183 8.284 29.672 1.00 2.04 H new ATOM 0 HA ALA A 60 4.554 9.980 27.427 1.00 41.11 H new ATOM 0 HB1 ALA A 60 6.686 8.742 27.218 1.00 40.24 H new ATOM 0 HB2 ALA A 60 6.380 9.252 28.895 1.00 40.24 H new ATOM 0 HB3 ALA A 60 6.107 7.560 28.415 1.00 40.24 H new ATOM 865 N LYS A 61 3.168 8.589 25.804 1.00 12.34 N ATOM 866 CA LYS A 61 2.636 7.877 24.649 1.00 52.13 C ATOM 867 C LYS A 61 2.302 8.846 23.519 1.00 65.24 C ATOM 868 O LYS A 61 1.847 9.964 23.760 1.00 72.31 O ATOM 869 CB LYS A 61 1.386 7.086 25.042 1.00 10.31 C ATOM 870 CG LYS A 61 1.416 5.637 24.590 1.00 21.41 C ATOM 871 CD LYS A 61 1.712 4.698 25.747 1.00 21.45 C ATOM 872 CE LYS A 61 2.687 3.603 25.342 1.00 44.20 C ATOM 873 NZ LYS A 61 2.711 2.488 26.328 1.00 35.41 N ATOM 0 H LYS A 61 2.726 9.491 25.983 1.00 12.34 H new ATOM 0 HA LYS A 61 3.401 7.185 24.297 1.00 52.13 H new ATOM 0 HB2 LYS A 61 1.272 7.117 26.126 1.00 10.31 H new ATOM 0 HB3 LYS A 61 0.509 7.573 24.615 1.00 10.31 H new ATOM 0 HG2 LYS A 61 0.457 5.374 24.143 1.00 21.41 H new ATOM 0 HG3 LYS A 61 2.173 5.512 23.816 1.00 21.41 H new ATOM 0 HD2 LYS A 61 2.126 5.265 26.580 1.00 21.45 H new ATOM 0 HD3 LYS A 61 0.783 4.248 26.098 1.00 21.45 H new ATOM 0 HE2 LYS A 61 2.410 3.215 24.362 1.00 44.20 H new ATOM 0 HE3 LYS A 61 3.688 4.025 25.247 1.00 44.20 H new ATOM 0 HZ1 LYS A 61 3.388 1.763 26.015 1.00 35.41 H new ATOM 0 HZ2 LYS A 61 3.000 2.853 27.258 1.00 35.41 H new ATOM 0 HZ3 LYS A 61 1.762 2.068 26.400 1.00 35.41 H new ATOM 887 N VAL A 62 2.531 8.409 22.284 1.00 3.21 N ATOM 888 CA VAL A 62 2.253 9.237 21.117 1.00 72.14 C ATOM 889 C VAL A 62 1.640 8.411 19.991 1.00 14.22 C ATOM 890 O VAL A 62 1.943 7.228 19.839 1.00 1.02 O ATOM 891 CB VAL A 62 3.530 9.923 20.598 1.00 42.35 C ATOM 892 CG1 VAL A 62 3.927 11.074 21.510 1.00 30.42 C ATOM 893 CG2 VAL A 62 4.663 8.916 20.473 1.00 71.41 C ATOM 0 H VAL A 62 2.908 7.487 22.067 1.00 3.21 H new ATOM 0 HA VAL A 62 1.542 10.001 21.433 1.00 72.14 H new ATOM 0 HB VAL A 62 3.325 10.330 19.608 1.00 42.35 H new ATOM 0 HG11 VAL A 62 4.832 11.546 21.127 1.00 30.42 H new ATOM 0 HG12 VAL A 62 3.121 11.807 21.543 1.00 30.42 H new ATOM 0 HG13 VAL A 62 4.113 10.695 22.515 1.00 30.42 H new ATOM 0 HG21 VAL A 62 5.557 9.419 20.105 1.00 71.41 H new ATOM 0 HG22 VAL A 62 4.869 8.477 21.449 1.00 71.41 H new ATOM 0 HG23 VAL A 62 4.375 8.130 19.775 1.00 71.41 H new ATOM 903 N SER A 63 0.775 9.044 19.204 1.00 21.50 N ATOM 904 CA SER A 63 0.116 8.367 18.093 1.00 32.54 C ATOM 905 C SER A 63 0.583 8.935 16.757 1.00 72.43 C ATOM 906 O SER A 63 -0.226 9.221 15.875 1.00 20.12 O ATOM 907 CB SER A 63 -1.403 8.502 18.215 1.00 32.13 C ATOM 908 OG SER A 63 -2.056 7.312 17.806 1.00 4.33 O ATOM 0 H SER A 63 0.515 10.024 19.315 1.00 21.50 H new ATOM 0 HA SER A 63 0.384 7.311 18.132 1.00 32.54 H new ATOM 0 HB2 SER A 63 -1.669 8.730 19.247 1.00 32.13 H new ATOM 0 HB3 SER A 63 -1.747 9.337 17.605 1.00 32.13 H new ATOM 0 HG SER A 63 -3.026 7.424 17.895 1.00 4.33 H new ATOM 914 N ASN A 64 1.895 9.095 16.615 1.00 74.32 N ATOM 915 CA ASN A 64 2.471 9.629 15.386 1.00 11.13 C ATOM 916 C ASN A 64 2.475 8.574 14.284 1.00 44.41 C ATOM 917 O ASN A 64 2.879 7.433 14.505 1.00 74.15 O ATOM 918 CB ASN A 64 3.896 10.124 15.640 1.00 24.31 C ATOM 919 CG ASN A 64 4.794 9.037 16.201 1.00 41.54 C ATOM 920 OD1 ASN A 64 5.172 8.103 15.494 1.00 74.21 O ATOM 921 ND2 ASN A 64 5.140 9.156 17.477 1.00 11.22 N ATOM 0 H ASN A 64 2.579 8.863 17.335 1.00 74.32 H new ATOM 0 HA ASN A 64 1.855 10.467 15.059 1.00 11.13 H new ATOM 0 HB2 ASN A 64 4.320 10.497 14.708 1.00 24.31 H new ATOM 0 HB3 ASN A 64 3.868 10.963 16.335 1.00 24.31 H new ATOM 0 HD21 ASN A 64 5.743 8.456 17.909 1.00 11.22 H new ATOM 0 HD22 ASN A 64 4.803 9.947 18.025 1.00 11.22 H new ATOM 928 N ALA A 65 2.025 8.966 13.096 1.00 35.35 N ATOM 929 CA ALA A 65 1.979 8.056 11.959 1.00 71.51 C ATOM 930 C ALA A 65 1.602 8.794 10.679 1.00 14.44 C ATOM 931 O ALA A 65 2.288 8.686 9.663 1.00 33.32 O ATOM 932 CB ALA A 65 0.997 6.925 12.227 1.00 71.32 C ATOM 0 H ALA A 65 1.687 9.908 12.897 1.00 35.35 H new ATOM 0 HA ALA A 65 2.975 7.634 11.824 1.00 71.51 H new ATOM 0 HB1 ALA A 65 0.973 6.253 11.369 1.00 71.32 H new ATOM 0 HB2 ALA A 65 1.311 6.372 13.112 1.00 71.32 H new ATOM 0 HB3 ALA A 65 0.002 7.338 12.392 1.00 71.32 H new ATOM 938 N SER A 66 0.506 9.545 10.736 1.00 3.32 N ATOM 939 CA SER A 66 0.035 10.299 9.580 1.00 23.21 C ATOM 940 C SER A 66 0.961 11.475 9.284 1.00 13.25 C ATOM 941 O SER A 66 0.847 12.121 8.243 1.00 21.12 O ATOM 942 CB SER A 66 -1.389 10.803 9.819 1.00 11.34 C ATOM 943 OG SER A 66 -1.731 11.822 8.895 1.00 34.33 O ATOM 0 H SER A 66 -0.072 9.647 11.570 1.00 3.32 H new ATOM 0 HA SER A 66 0.036 9.633 8.717 1.00 23.21 H new ATOM 0 HB2 SER A 66 -2.091 9.975 9.728 1.00 11.34 H new ATOM 0 HB3 SER A 66 -1.477 11.185 10.836 1.00 11.34 H new ATOM 0 HG SER A 66 -0.944 12.056 8.360 1.00 34.33 H new ATOM 949 N GLU A 67 1.876 11.747 10.209 1.00 23.33 N ATOM 950 CA GLU A 67 2.821 12.846 10.048 1.00 30.35 C ATOM 951 C GLU A 67 2.113 14.193 10.162 1.00 30.21 C ATOM 952 O GLU A 67 2.711 15.244 9.930 1.00 24.11 O ATOM 953 CB GLU A 67 3.532 12.743 8.697 1.00 13.13 C ATOM 954 CG GLU A 67 4.829 13.531 8.631 1.00 64.32 C ATOM 955 CD GLU A 67 5.906 12.815 7.839 1.00 24.30 C ATOM 956 OE1 GLU A 67 5.558 11.938 7.021 1.00 23.10 O ATOM 957 OE2 GLU A 67 7.098 13.132 8.038 1.00 51.12 O ATOM 0 H GLU A 67 1.983 11.222 11.077 1.00 23.33 H new ATOM 0 HA GLU A 67 3.561 12.775 10.845 1.00 30.35 H new ATOM 0 HB2 GLU A 67 3.742 11.695 8.486 1.00 13.13 H new ATOM 0 HB3 GLU A 67 2.861 13.098 7.915 1.00 13.13 H new ATOM 0 HG2 GLU A 67 4.636 14.504 8.178 1.00 64.32 H new ATOM 0 HG3 GLU A 67 5.189 13.716 9.643 1.00 64.32 H new ATOM 964 N THR A 68 0.833 14.154 10.520 1.00 23.25 N ATOM 965 CA THR A 68 0.042 15.369 10.663 1.00 3.45 C ATOM 966 C THR A 68 -0.738 15.367 11.973 1.00 22.01 C ATOM 967 O THR A 68 -1.498 16.293 12.257 1.00 1.01 O ATOM 968 CB THR A 68 -0.944 15.539 9.492 1.00 4.22 C ATOM 969 OG1 THR A 68 -2.042 14.632 9.641 1.00 41.41 O ATOM 970 CG2 THR A 68 -0.251 15.290 8.161 1.00 4.21 C ATOM 0 H THR A 68 0.322 13.293 10.716 1.00 23.25 H new ATOM 0 HA THR A 68 0.743 16.204 10.662 1.00 3.45 H new ATOM 0 HB THR A 68 -1.315 16.564 9.504 1.00 4.22 H new ATOM 0 HG1 THR A 68 -1.770 13.738 9.346 1.00 41.41 H new ATOM 0 HG21 THR A 68 -0.967 15.416 7.349 1.00 4.21 H new ATOM 0 HG22 THR A 68 0.566 16.001 8.038 1.00 4.21 H new ATOM 0 HG23 THR A 68 0.145 14.275 8.141 1.00 4.21 H new ATOM 978 N LYS A 69 -0.545 14.321 12.769 1.00 21.22 N ATOM 979 CA LYS A 69 -1.229 14.198 14.051 1.00 23.11 C ATOM 980 C LYS A 69 -0.334 14.671 15.192 1.00 14.35 C ATOM 981 O LYS A 69 -0.362 15.842 15.571 1.00 64.42 O ATOM 982 CB LYS A 69 -1.652 12.747 14.289 1.00 35.23 C ATOM 983 CG LYS A 69 -3.007 12.403 13.695 1.00 14.41 C ATOM 984 CD LYS A 69 -3.157 10.907 13.475 1.00 42.54 C ATOM 985 CE LYS A 69 -4.585 10.539 13.102 1.00 23.33 C ATOM 986 NZ LYS A 69 -4.716 9.093 12.771 1.00 22.35 N ATOM 0 H LYS A 69 0.080 13.546 12.549 1.00 21.22 H new ATOM 0 HA LYS A 69 -2.117 14.829 14.023 1.00 23.11 H new ATOM 0 HB2 LYS A 69 -0.899 12.083 13.863 1.00 35.23 H new ATOM 0 HB3 LYS A 69 -1.676 12.556 15.362 1.00 35.23 H new ATOM 0 HG2 LYS A 69 -3.796 12.755 14.359 1.00 14.41 H new ATOM 0 HG3 LYS A 69 -3.133 12.925 12.747 1.00 14.41 H new ATOM 0 HD2 LYS A 69 -2.479 10.585 12.685 1.00 42.54 H new ATOM 0 HD3 LYS A 69 -2.868 10.374 14.381 1.00 42.54 H new ATOM 0 HE2 LYS A 69 -5.251 10.784 13.929 1.00 23.33 H new ATOM 0 HE3 LYS A 69 -4.903 11.137 12.248 1.00 23.33 H new ATOM 0 HZ1 LYS A 69 -5.703 8.882 12.522 1.00 22.35 H new ATOM 0 HZ2 LYS A 69 -4.099 8.864 11.965 1.00 22.35 H new ATOM 0 HZ3 LYS A 69 -4.437 8.522 13.594 1.00 22.35 H new ATOM 1000 N GLY A 70 0.459 13.753 15.737 1.00 41.54 N ATOM 1001 CA GLY A 70 1.351 14.097 16.828 1.00 4.32 C ATOM 1002 C GLY A 70 0.681 13.983 18.183 1.00 61.01 C ATOM 1003 O GLY A 70 1.322 14.167 19.219 1.00 52.44 O ATOM 0 H GLY A 70 0.499 12.777 15.442 1.00 41.54 H new ATOM 0 HA2 GLY A 70 2.222 13.443 16.801 1.00 4.32 H new ATOM 0 HA3 GLY A 70 1.713 15.116 16.690 1.00 4.32 H new ATOM 1007 N LEU A 71 -0.612 13.680 18.177 1.00 32.34 N ATOM 1008 CA LEU A 71 -1.371 13.543 19.416 1.00 72.43 C ATOM 1009 C LEU A 71 -0.608 12.699 20.432 1.00 43.22 C ATOM 1010 O LEU A 71 0.144 11.796 20.065 1.00 45.31 O ATOM 1011 CB LEU A 71 -2.735 12.911 19.134 1.00 73.44 C ATOM 1012 CG LEU A 71 -2.718 11.447 18.690 1.00 14.32 C ATOM 1013 CD1 LEU A 71 -3.397 10.567 19.728 1.00 10.23 C ATOM 1014 CD2 LEU A 71 -3.392 11.293 17.335 1.00 75.13 C ATOM 0 H LEU A 71 -1.157 13.524 17.329 1.00 32.34 H new ATOM 0 HA LEU A 71 -1.518 14.539 19.835 1.00 72.43 H new ATOM 0 HB2 LEU A 71 -3.343 12.989 20.035 1.00 73.44 H new ATOM 0 HB3 LEU A 71 -3.233 13.498 18.362 1.00 73.44 H new ATOM 0 HG LEU A 71 -1.680 11.128 18.596 1.00 14.32 H new ATOM 0 HD11 LEU A 71 -3.376 9.529 19.395 1.00 10.23 H new ATOM 0 HD12 LEU A 71 -2.871 10.654 20.679 1.00 10.23 H new ATOM 0 HD13 LEU A 71 -4.432 10.886 19.855 1.00 10.23 H new ATOM 0 HD21 LEU A 71 -3.371 10.245 17.035 1.00 75.13 H new ATOM 0 HD22 LEU A 71 -4.426 11.630 17.403 1.00 75.13 H new ATOM 0 HD23 LEU A 71 -2.863 11.893 16.595 1.00 75.13 H new ATOM 1026 N VAL A 72 -0.808 12.999 21.711 1.00 21.54 N ATOM 1027 CA VAL A 72 -0.141 12.266 22.781 1.00 31.12 C ATOM 1028 C VAL A 72 -1.151 11.712 23.780 1.00 22.20 C ATOM 1029 O VAL A 72 -2.003 12.441 24.289 1.00 41.13 O ATOM 1030 CB VAL A 72 0.867 13.158 23.529 1.00 42.51 C ATOM 1031 CG1 VAL A 72 2.089 13.424 22.663 1.00 4.54 C ATOM 1032 CG2 VAL A 72 0.210 14.463 23.954 1.00 45.22 C ATOM 0 H VAL A 72 -1.426 13.744 22.032 1.00 21.54 H new ATOM 0 HA VAL A 72 0.394 11.440 22.313 1.00 31.12 H new ATOM 0 HB VAL A 72 1.195 12.634 24.427 1.00 42.51 H new ATOM 0 HG11 VAL A 72 2.790 14.056 23.208 1.00 4.54 H new ATOM 0 HG12 VAL A 72 2.571 12.479 22.413 1.00 4.54 H new ATOM 0 HG13 VAL A 72 1.783 13.928 21.747 1.00 4.54 H new ATOM 0 HG21 VAL A 72 0.937 15.081 24.481 1.00 45.22 H new ATOM 0 HG22 VAL A 72 -0.147 14.995 23.072 1.00 45.22 H new ATOM 0 HG23 VAL A 72 -0.631 14.249 24.614 1.00 45.22 H new ATOM 1042 N THR A 73 -1.050 10.416 24.058 1.00 21.31 N ATOM 1043 CA THR A 73 -1.954 9.762 24.996 1.00 53.42 C ATOM 1044 C THR A 73 -1.256 9.466 26.318 1.00 42.40 C ATOM 1045 O THR A 73 -0.050 9.227 26.354 1.00 64.10 O ATOM 1046 CB THR A 73 -2.511 8.448 24.417 1.00 43.03 C ATOM 1047 OG1 THR A 73 -2.837 8.622 23.033 1.00 33.33 O ATOM 1048 CG2 THR A 73 -3.746 8.000 25.182 1.00 34.42 C ATOM 0 H THR A 73 -0.351 9.798 23.646 1.00 21.31 H new ATOM 0 HA THR A 73 -2.780 10.452 25.171 1.00 53.42 H new ATOM 0 HB THR A 73 -1.744 7.679 24.515 1.00 43.03 H new ATOM 0 HG1 THR A 73 -3.052 7.752 22.636 1.00 33.33 H new ATOM 0 HG21 THR A 73 -4.121 7.070 24.755 1.00 34.42 H new ATOM 0 HG22 THR A 73 -3.487 7.840 26.229 1.00 34.42 H new ATOM 0 HG23 THR A 73 -4.516 8.768 25.112 1.00 34.42 H new ATOM 1056 N GLY A 74 -2.022 9.484 27.404 1.00 35.12 N ATOM 1057 CA GLY A 74 -1.459 9.215 28.714 1.00 30.03 C ATOM 1058 C GLY A 74 -2.245 8.169 29.480 1.00 50.21 C ATOM 1059 O GLY A 74 -3.293 7.713 29.022 1.00 32.13 O ATOM 0 H GLY A 74 -3.023 9.680 27.400 1.00 35.12 H new ATOM 0 HA2 GLY A 74 -0.428 8.880 28.601 1.00 30.03 H new ATOM 0 HA3 GLY A 74 -1.432 10.139 29.291 1.00 30.03 H new ATOM 1063 N ILE A 75 -1.738 7.787 30.647 1.00 1.42 N ATOM 1064 CA ILE A 75 -2.400 6.788 31.477 1.00 43.31 C ATOM 1065 C ILE A 75 -2.900 7.400 32.781 1.00 3.50 C ATOM 1066 O ILE A 75 -4.045 7.190 33.178 1.00 13.12 O ATOM 1067 CB ILE A 75 -1.458 5.614 31.802 1.00 34.51 C ATOM 1068 CG1 ILE A 75 -0.943 4.973 30.512 1.00 23.50 C ATOM 1069 CG2 ILE A 75 -2.175 4.583 32.662 1.00 2.23 C ATOM 1070 CD1 ILE A 75 -0.001 3.812 30.748 1.00 11.52 C ATOM 0 H ILE A 75 -0.871 8.154 31.039 1.00 1.42 H new ATOM 0 HA ILE A 75 -3.249 6.415 30.905 1.00 43.31 H new ATOM 0 HB ILE A 75 -0.604 5.996 32.362 1.00 34.51 H new ATOM 0 HG12 ILE A 75 -1.793 4.627 29.923 1.00 23.50 H new ATOM 0 HG13 ILE A 75 -0.431 5.731 29.918 1.00 23.50 H new ATOM 0 HG21 ILE A 75 -1.497 3.759 32.884 1.00 2.23 H new ATOM 0 HG22 ILE A 75 -2.498 5.048 33.594 1.00 2.23 H new ATOM 0 HG23 ILE A 75 -3.044 4.203 32.125 1.00 2.23 H new ATOM 0 HD11 ILE A 75 0.324 3.407 29.790 1.00 11.52 H new ATOM 0 HD12 ILE A 75 0.867 4.156 31.310 1.00 11.52 H new ATOM 0 HD13 ILE A 75 -0.515 3.036 31.315 1.00 11.52 H new ATOM 1082 N ALA A 76 -2.033 8.161 33.442 1.00 22.51 N ATOM 1083 CA ALA A 76 -2.387 8.807 34.699 1.00 33.05 C ATOM 1084 C ALA A 76 -1.280 9.746 35.166 1.00 63.25 C ATOM 1085 O ALA A 76 -0.097 9.481 34.950 1.00 10.02 O ATOM 1086 CB ALA A 76 -2.680 7.762 35.766 1.00 3.01 C ATOM 0 H ALA A 76 -1.080 8.345 33.127 1.00 22.51 H new ATOM 0 HA ALA A 76 -3.285 9.402 34.532 1.00 33.05 H new ATOM 0 HB1 ALA A 76 -2.943 8.259 36.700 1.00 3.01 H new ATOM 0 HB2 ALA A 76 -3.511 7.135 35.442 1.00 3.01 H new ATOM 0 HB3 ALA A 76 -1.797 7.143 35.921 1.00 3.01 H new ATOM 1092 N SER A 77 -1.671 10.844 35.804 1.00 22.25 N ATOM 1093 CA SER A 77 -0.711 11.825 36.297 1.00 24.50 C ATOM 1094 C SER A 77 -1.425 13.051 36.857 1.00 32.40 C ATOM 1095 O SER A 77 -2.654 13.099 36.905 1.00 44.20 O ATOM 1096 CB SER A 77 0.243 12.243 35.176 1.00 11.53 C ATOM 1097 OG SER A 77 -0.347 12.044 33.903 1.00 31.35 O ATOM 0 H SER A 77 -2.646 11.077 35.992 1.00 22.25 H new ATOM 0 HA SER A 77 -0.137 11.363 37.100 1.00 24.50 H new ATOM 0 HB2 SER A 77 0.512 13.293 35.296 1.00 11.53 H new ATOM 0 HB3 SER A 77 1.166 11.668 35.246 1.00 11.53 H new ATOM 0 HG SER A 77 0.007 12.705 33.272 1.00 31.35 H new ATOM 1103 N GLY A 78 -0.645 14.041 37.280 1.00 31.23 N ATOM 1104 CA GLY A 78 -1.220 15.254 37.832 1.00 63.12 C ATOM 1105 C GLY A 78 -0.937 16.471 36.974 1.00 3.43 C ATOM 1106 O GLY A 78 -1.856 17.091 36.441 1.00 34.43 O ATOM 0 H GLY A 78 0.374 14.025 37.250 1.00 31.23 H new ATOM 0 HA2 GLY A 78 -2.298 15.128 37.934 1.00 63.12 H new ATOM 0 HA3 GLY A 78 -0.822 15.418 38.833 1.00 63.12 H new ATOM 1110 N ASN A 79 0.340 16.816 36.842 1.00 10.42 N ATOM 1111 CA ASN A 79 0.741 17.970 36.045 1.00 25.21 C ATOM 1112 C ASN A 79 1.758 17.568 34.981 1.00 40.23 C ATOM 1113 O ASN A 79 2.919 17.977 35.010 1.00 51.33 O ATOM 1114 CB ASN A 79 1.331 19.058 36.945 1.00 63.50 C ATOM 1115 CG ASN A 79 2.217 18.488 38.036 1.00 34.35 C ATOM 1116 OD1 ASN A 79 3.162 17.748 37.762 1.00 53.23 O ATOM 1117 ND2 ASN A 79 1.913 18.830 39.283 1.00 2.21 N ATOM 0 H ASN A 79 1.114 16.313 37.276 1.00 10.42 H new ATOM 0 HA ASN A 79 -0.145 18.362 35.546 1.00 25.21 H new ATOM 0 HB2 ASN A 79 1.909 19.754 36.338 1.00 63.50 H new ATOM 0 HB3 ASN A 79 0.521 19.629 37.399 1.00 63.50 H new ATOM 0 HD21 ASN A 79 2.472 18.476 40.059 1.00 2.21 H new ATOM 0 HD22 ASN A 79 1.121 19.446 39.464 1.00 2.21 H new ATOM 1124 N PRO A 80 1.313 16.748 34.017 1.00 21.12 N ATOM 1125 CA PRO A 80 2.167 16.274 32.924 1.00 24.34 C ATOM 1126 C PRO A 80 2.529 17.386 31.946 1.00 14.43 C ATOM 1127 O PRO A 80 1.684 18.205 31.581 1.00 61.14 O ATOM 1128 CB PRO A 80 1.305 15.214 32.234 1.00 11.11 C ATOM 1129 CG PRO A 80 -0.098 15.603 32.549 1.00 11.45 C ATOM 1130 CD PRO A 80 -0.058 16.221 33.920 1.00 34.31 C ATOM 0 HA PRO A 80 3.122 15.895 33.288 1.00 24.34 H new ATOM 0 HB2 PRO A 80 1.480 15.200 31.158 1.00 11.11 H new ATOM 0 HB3 PRO A 80 1.532 14.215 32.607 1.00 11.11 H new ATOM 0 HG2 PRO A 80 -0.482 16.310 31.813 1.00 11.45 H new ATOM 0 HG3 PRO A 80 -0.757 14.735 32.531 1.00 11.45 H new ATOM 0 HD2 PRO A 80 -0.801 17.012 34.026 1.00 34.31 H new ATOM 0 HD3 PRO A 80 -0.262 15.486 34.698 1.00 34.31 H new ATOM 1138 N THR A 81 3.789 17.411 31.524 1.00 1.45 N ATOM 1139 CA THR A 81 4.262 18.424 30.589 1.00 2.01 C ATOM 1140 C THR A 81 4.749 17.789 29.292 1.00 42.34 C ATOM 1141 O THR A 81 5.622 16.921 29.304 1.00 20.21 O ATOM 1142 CB THR A 81 5.403 19.262 31.197 1.00 31.44 C ATOM 1143 OG1 THR A 81 5.613 18.885 32.563 1.00 61.42 O ATOM 1144 CG2 THR A 81 5.084 20.747 31.119 1.00 5.15 C ATOM 0 H THR A 81 4.501 16.741 31.815 1.00 1.45 H new ATOM 0 HA THR A 81 3.416 19.077 30.376 1.00 2.01 H new ATOM 0 HB THR A 81 6.310 19.071 30.624 1.00 31.44 H new ATOM 0 HG1 THR A 81 6.341 19.421 32.942 1.00 61.42 H new ATOM 0 HG21 THR A 81 5.904 21.319 31.554 1.00 5.15 H new ATOM 0 HG22 THR A 81 4.953 21.037 30.076 1.00 5.15 H new ATOM 0 HG23 THR A 81 4.166 20.951 31.670 1.00 5.15 H new ATOM 1152 N ILE A 82 4.181 18.228 28.174 1.00 53.42 N ATOM 1153 CA ILE A 82 4.559 17.704 26.868 1.00 63.43 C ATOM 1154 C ILE A 82 5.599 18.595 26.197 1.00 3.05 C ATOM 1155 O ILE A 82 5.413 19.807 26.085 1.00 74.01 O ATOM 1156 CB ILE A 82 3.338 17.571 25.939 1.00 40.02 C ATOM 1157 CG1 ILE A 82 2.301 16.629 26.554 1.00 25.24 C ATOM 1158 CG2 ILE A 82 3.767 17.071 24.567 1.00 5.54 C ATOM 1159 CD1 ILE A 82 1.332 17.323 27.486 1.00 61.54 C ATOM 0 H ILE A 82 3.457 18.946 28.147 1.00 53.42 H new ATOM 0 HA ILE A 82 4.986 16.715 27.037 1.00 63.43 H new ATOM 0 HB ILE A 82 2.883 18.554 25.820 1.00 40.02 H new ATOM 0 HG12 ILE A 82 1.740 16.147 25.753 1.00 25.24 H new ATOM 0 HG13 ILE A 82 2.818 15.841 27.101 1.00 25.24 H new ATOM 0 HG21 ILE A 82 2.893 16.982 23.922 1.00 5.54 H new ATOM 0 HG22 ILE A 82 4.472 17.776 24.127 1.00 5.54 H new ATOM 0 HG23 ILE A 82 4.244 16.096 24.668 1.00 5.54 H new ATOM 0 HD11 ILE A 82 0.626 16.595 27.885 1.00 61.54 H new ATOM 0 HD12 ILE A 82 1.883 17.782 28.307 1.00 61.54 H new ATOM 0 HD13 ILE A 82 0.788 18.093 26.938 1.00 61.54 H new ATOM 1171 N ILE A 83 6.694 17.987 25.753 1.00 75.43 N ATOM 1172 CA ILE A 83 7.762 18.725 25.091 1.00 71.23 C ATOM 1173 C ILE A 83 7.944 18.256 23.651 1.00 31.12 C ATOM 1174 O ILE A 83 7.919 17.058 23.370 1.00 52.10 O ATOM 1175 CB ILE A 83 9.099 18.574 25.841 1.00 54.43 C ATOM 1176 CG1 ILE A 83 8.929 18.958 27.312 1.00 32.42 C ATOM 1177 CG2 ILE A 83 10.173 19.430 25.185 1.00 33.24 C ATOM 1178 CD1 ILE A 83 8.419 20.367 27.515 1.00 44.55 C ATOM 0 H ILE A 83 6.865 16.985 25.840 1.00 75.43 H new ATOM 0 HA ILE A 83 7.469 19.775 25.094 1.00 71.23 H new ATOM 0 HB ILE A 83 9.412 17.531 25.791 1.00 54.43 H new ATOM 0 HG12 ILE A 83 8.238 18.259 27.784 1.00 32.42 H new ATOM 0 HG13 ILE A 83 9.887 18.851 27.820 1.00 32.42 H new ATOM 0 HG21 ILE A 83 11.112 19.313 25.726 1.00 33.24 H new ATOM 0 HG22 ILE A 83 10.308 19.114 24.150 1.00 33.24 H new ATOM 0 HG23 ILE A 83 9.869 20.476 25.208 1.00 33.24 H new ATOM 0 HD11 ILE A 83 8.323 20.569 28.582 1.00 44.55 H new ATOM 0 HD12 ILE A 83 9.120 21.075 27.073 1.00 44.55 H new ATOM 0 HD13 ILE A 83 7.445 20.474 27.037 1.00 44.55 H new ATOM 1190 N ALA A 84 8.129 19.209 22.743 1.00 32.42 N ATOM 1191 CA ALA A 84 8.319 18.893 21.333 1.00 43.21 C ATOM 1192 C ALA A 84 9.637 19.461 20.817 1.00 62.44 C ATOM 1193 O ALA A 84 9.946 20.634 21.029 1.00 63.32 O ATOM 1194 CB ALA A 84 7.155 19.426 20.511 1.00 10.11 C ATOM 0 H ALA A 84 8.151 20.206 22.959 1.00 32.42 H new ATOM 0 HA ALA A 84 8.355 17.808 21.230 1.00 43.21 H new ATOM 0 HB1 ALA A 84 7.310 19.183 19.460 1.00 10.11 H new ATOM 0 HB2 ALA A 84 6.227 18.970 20.856 1.00 10.11 H new ATOM 0 HB3 ALA A 84 7.093 20.508 20.628 1.00 10.11 H new ATOM 1200 N THR A 85 10.412 18.621 20.138 1.00 63.44 N ATOM 1201 CA THR A 85 11.698 19.038 19.593 1.00 70.14 C ATOM 1202 C THR A 85 11.782 18.747 18.099 1.00 43.24 C ATOM 1203 O THR A 85 11.635 17.602 17.670 1.00 44.53 O ATOM 1204 CB THR A 85 12.866 18.334 20.308 1.00 65.32 C ATOM 1205 OG1 THR A 85 12.372 17.547 21.397 1.00 35.01 O ATOM 1206 CG2 THR A 85 13.875 19.349 20.826 1.00 75.45 C ATOM 0 H THR A 85 10.171 17.647 19.952 1.00 63.44 H new ATOM 0 HA THR A 85 11.777 20.113 19.756 1.00 70.14 H new ATOM 0 HB THR A 85 13.364 17.685 19.588 1.00 65.32 H new ATOM 0 HG1 THR A 85 13.121 17.102 21.845 1.00 35.01 H new ATOM 0 HG21 THR A 85 14.691 18.828 21.327 1.00 75.45 H new ATOM 0 HG22 THR A 85 14.272 19.926 19.991 1.00 75.45 H new ATOM 0 HG23 THR A 85 13.386 20.021 21.531 1.00 75.45 H new ATOM 1214 N TYR A 86 12.020 19.790 17.311 1.00 62.35 N ATOM 1215 CA TYR A 86 12.122 19.646 15.863 1.00 4.11 C ATOM 1216 C TYR A 86 13.010 20.735 15.269 1.00 43.20 C ATOM 1217 O TYR A 86 12.648 21.911 15.258 1.00 34.34 O ATOM 1218 CB TYR A 86 10.733 19.700 15.225 1.00 44.22 C ATOM 1219 CG TYR A 86 10.745 19.475 13.730 1.00 51.23 C ATOM 1220 CD1 TYR A 86 11.624 18.569 13.150 1.00 21.23 C ATOM 1221 CD2 TYR A 86 9.875 20.168 12.897 1.00 44.55 C ATOM 1222 CE1 TYR A 86 11.638 18.361 11.785 1.00 64.23 C ATOM 1223 CE2 TYR A 86 9.882 19.966 11.530 1.00 33.20 C ATOM 1224 CZ TYR A 86 10.765 19.061 10.979 1.00 43.41 C ATOM 1225 OH TYR A 86 10.776 18.856 9.618 1.00 35.13 O ATOM 0 H TYR A 86 12.146 20.744 17.650 1.00 62.35 H new ATOM 0 HA TYR A 86 12.574 18.677 15.650 1.00 4.11 H new ATOM 0 HB2 TYR A 86 10.098 18.947 15.692 1.00 44.22 H new ATOM 0 HB3 TYR A 86 10.284 20.671 15.434 1.00 44.22 H new ATOM 0 HD1 TYR A 86 12.308 18.018 13.778 1.00 21.23 H new ATOM 0 HD2 TYR A 86 9.182 20.877 13.325 1.00 44.55 H new ATOM 0 HE1 TYR A 86 12.329 17.654 11.351 1.00 64.23 H new ATOM 0 HE2 TYR A 86 9.200 20.514 10.897 1.00 33.20 H new ATOM 0 HH TYR A 86 9.878 19.008 9.257 1.00 35.13 H new ATOM 1235 N GLY A 87 14.177 20.334 14.774 1.00 63.22 N ATOM 1236 CA GLY A 87 15.100 21.286 14.184 1.00 53.12 C ATOM 1237 C GLY A 87 15.650 22.266 15.201 1.00 42.44 C ATOM 1238 O GLY A 87 16.143 21.866 16.255 1.00 13.13 O ATOM 0 H GLY A 87 14.500 19.366 14.771 1.00 63.22 H new ATOM 0 HA2 GLY A 87 15.926 20.747 13.720 1.00 53.12 H new ATOM 0 HA3 GLY A 87 14.593 21.836 13.391 1.00 53.12 H new ATOM 1242 N SER A 88 15.568 23.554 14.883 1.00 44.50 N ATOM 1243 CA SER A 88 16.068 24.595 15.775 1.00 75.24 C ATOM 1244 C SER A 88 14.930 25.207 16.586 1.00 74.21 C ATOM 1245 O SER A 88 15.131 26.160 17.339 1.00 21.40 O ATOM 1246 CB SER A 88 16.781 25.685 14.972 1.00 34.21 C ATOM 1247 OG SER A 88 18.064 25.254 14.555 1.00 64.30 O ATOM 0 H SER A 88 15.160 23.902 14.015 1.00 44.50 H new ATOM 0 HA SER A 88 16.778 24.139 16.464 1.00 75.24 H new ATOM 0 HB2 SER A 88 16.182 25.950 14.101 1.00 34.21 H new ATOM 0 HB3 SER A 88 16.876 26.585 15.579 1.00 34.21 H new ATOM 0 HG SER A 88 18.498 25.968 14.043 1.00 64.30 H new ATOM 1253 N VAL A 89 13.732 24.652 16.426 1.00 23.13 N ATOM 1254 CA VAL A 89 12.561 25.141 17.144 1.00 41.11 C ATOM 1255 C VAL A 89 11.912 24.029 17.959 1.00 32.43 C ATOM 1256 O VAL A 89 11.852 22.879 17.523 1.00 0.10 O ATOM 1257 CB VAL A 89 11.517 25.731 16.178 1.00 72.04 C ATOM 1258 CG1 VAL A 89 10.288 26.201 16.941 1.00 32.51 C ATOM 1259 CG2 VAL A 89 12.121 26.870 15.371 1.00 3.53 C ATOM 0 H VAL A 89 13.547 23.864 15.806 1.00 23.13 H new ATOM 0 HA VAL A 89 12.907 25.926 17.817 1.00 41.11 H new ATOM 0 HB VAL A 89 11.207 24.949 15.485 1.00 72.04 H new ATOM 0 HG11 VAL A 89 9.562 26.615 16.241 1.00 32.51 H new ATOM 0 HG12 VAL A 89 9.843 25.358 17.469 1.00 32.51 H new ATOM 0 HG13 VAL A 89 10.577 26.968 17.660 1.00 32.51 H new ATOM 0 HG21 VAL A 89 11.369 27.275 14.694 1.00 3.53 H new ATOM 0 HG22 VAL A 89 12.461 27.655 16.047 1.00 3.53 H new ATOM 0 HG23 VAL A 89 12.967 26.498 14.793 1.00 3.53 H new ATOM 1269 N SER A 90 11.426 24.378 19.146 1.00 51.51 N ATOM 1270 CA SER A 90 10.783 23.409 20.025 1.00 61.41 C ATOM 1271 C SER A 90 9.528 23.999 20.660 1.00 2.44 C ATOM 1272 O SER A 90 9.458 25.199 20.925 1.00 63.15 O ATOM 1273 CB SER A 90 11.755 22.954 21.115 1.00 2.24 C ATOM 1274 OG SER A 90 12.465 24.055 21.657 1.00 71.21 O ATOM 0 H SER A 90 11.466 25.326 19.521 1.00 51.51 H new ATOM 0 HA SER A 90 10.493 22.547 19.424 1.00 61.41 H new ATOM 0 HB2 SER A 90 11.206 22.446 21.907 1.00 2.24 H new ATOM 0 HB3 SER A 90 12.459 22.232 20.701 1.00 2.24 H new ATOM 0 HG SER A 90 13.078 23.738 22.353 1.00 71.21 H new ATOM 1280 N GLY A 91 8.538 23.146 20.903 1.00 14.34 N ATOM 1281 CA GLY A 91 7.298 23.601 21.506 1.00 40.14 C ATOM 1282 C GLY A 91 6.976 22.869 22.793 1.00 21.31 C ATOM 1283 O GLY A 91 7.808 22.131 23.320 1.00 73.33 O ATOM 0 H GLY A 91 8.572 22.148 20.693 1.00 14.34 H new ATOM 0 HA2 GLY A 91 7.366 24.670 21.707 1.00 40.14 H new ATOM 0 HA3 GLY A 91 6.481 23.461 20.798 1.00 40.14 H new ATOM 1287 N ASN A 92 5.766 23.074 23.302 1.00 13.23 N ATOM 1288 CA ASN A 92 5.337 22.429 24.538 1.00 53.21 C ATOM 1289 C ASN A 92 3.836 22.605 24.751 1.00 62.44 C ATOM 1290 O ASN A 92 3.273 23.656 24.444 1.00 34.04 O ATOM 1291 CB ASN A 92 6.103 23.005 25.731 1.00 71.33 C ATOM 1292 CG ASN A 92 6.352 24.494 25.593 1.00 5.24 C ATOM 1293 OD1 ASN A 92 5.513 25.313 25.968 1.00 33.32 O ATOM 1294 ND2 ASN A 92 7.512 24.852 25.053 1.00 14.45 N ATOM 0 H ASN A 92 5.065 23.682 22.878 1.00 13.23 H new ATOM 0 HA ASN A 92 5.552 21.364 24.456 1.00 53.21 H new ATOM 0 HB2 ASN A 92 5.541 22.817 26.646 1.00 71.33 H new ATOM 0 HB3 ASN A 92 7.057 22.487 25.831 1.00 71.33 H new ATOM 0 HD21 ASN A 92 7.736 25.840 24.935 1.00 14.45 H new ATOM 0 HD22 ASN A 92 8.178 24.139 24.756 1.00 14.45 H new ATOM 1301 N THR A 93 3.193 21.567 25.278 1.00 4.32 N ATOM 1302 CA THR A 93 1.759 21.606 25.532 1.00 73.34 C ATOM 1303 C THR A 93 1.439 21.158 26.953 1.00 4.14 C ATOM 1304 O THR A 93 2.034 20.207 27.463 1.00 54.41 O ATOM 1305 CB THR A 93 0.989 20.713 24.540 1.00 51.54 C ATOM 1306 OG1 THR A 93 0.934 19.369 25.030 1.00 0.44 O ATOM 1307 CG2 THR A 93 1.650 20.732 23.170 1.00 60.03 C ATOM 0 H THR A 93 3.644 20.689 25.537 1.00 4.32 H new ATOM 0 HA THR A 93 1.443 22.641 25.401 1.00 73.34 H new ATOM 0 HB THR A 93 -0.023 21.105 24.443 1.00 51.54 H new ATOM 0 HG1 THR A 93 0.442 18.809 24.394 1.00 0.44 H new ATOM 0 HG21 THR A 93 1.089 20.095 22.487 1.00 60.03 H new ATOM 0 HG22 THR A 93 1.663 21.752 22.786 1.00 60.03 H new ATOM 0 HG23 THR A 93 2.672 20.363 23.254 1.00 60.03 H new ATOM 1315 N ILE A 94 0.498 21.848 27.589 1.00 61.05 N ATOM 1316 CA ILE A 94 0.099 21.519 28.951 1.00 2.34 C ATOM 1317 C ILE A 94 -1.218 20.751 28.969 1.00 40.24 C ATOM 1318 O ILE A 94 -2.162 21.099 28.258 1.00 1.50 O ATOM 1319 CB ILE A 94 -0.047 22.785 29.816 1.00 5.42 C ATOM 1320 CG1 ILE A 94 -1.239 23.619 29.342 1.00 21.21 C ATOM 1321 CG2 ILE A 94 1.233 23.608 29.771 1.00 33.42 C ATOM 1322 CD1 ILE A 94 -1.421 24.906 30.115 1.00 54.44 C ATOM 0 H ILE A 94 -0.002 22.638 27.182 1.00 61.05 H new ATOM 0 HA ILE A 94 0.888 20.892 29.367 1.00 2.34 H new ATOM 0 HB ILE A 94 -0.226 22.483 30.848 1.00 5.42 H new ATOM 0 HG12 ILE A 94 -1.110 23.854 28.285 1.00 21.21 H new ATOM 0 HG13 ILE A 94 -2.147 23.022 29.427 1.00 21.21 H new ATOM 0 HG21 ILE A 94 1.114 24.499 30.387 1.00 33.42 H new ATOM 0 HG22 ILE A 94 2.062 23.012 30.151 1.00 33.42 H new ATOM 0 HG23 ILE A 94 1.440 23.903 28.742 1.00 33.42 H new ATOM 0 HD11 ILE A 94 -2.284 25.446 29.725 1.00 54.44 H new ATOM 0 HD12 ILE A 94 -1.581 24.678 31.169 1.00 54.44 H new ATOM 0 HD13 ILE A 94 -0.529 25.523 30.009 1.00 54.44 H new ATOM 1334 N LEU A 95 -1.276 19.705 29.786 1.00 41.43 N ATOM 1335 CA LEU A 95 -2.479 18.888 29.898 1.00 62.31 C ATOM 1336 C LEU A 95 -2.848 18.660 31.360 1.00 13.52 C ATOM 1337 O LEU A 95 -1.989 18.361 32.190 1.00 32.03 O ATOM 1338 CB LEU A 95 -2.273 17.544 29.197 1.00 22.33 C ATOM 1339 CG LEU A 95 -2.852 17.426 27.787 1.00 43.31 C ATOM 1340 CD1 LEU A 95 -2.092 18.323 26.822 1.00 53.22 C ATOM 1341 CD2 LEU A 95 -2.816 15.980 27.314 1.00 10.24 C ATOM 0 H LEU A 95 -0.504 19.403 30.380 1.00 41.43 H new ATOM 0 HA LEU A 95 -3.297 19.422 29.415 1.00 62.31 H new ATOM 0 HB2 LEU A 95 -1.203 17.344 29.146 1.00 22.33 H new ATOM 0 HB3 LEU A 95 -2.715 16.763 29.816 1.00 22.33 H new ATOM 0 HG LEU A 95 -3.892 17.752 27.813 1.00 43.31 H new ATOM 0 HD11 LEU A 95 -2.518 18.226 25.823 1.00 53.22 H new ATOM 0 HD12 LEU A 95 -2.170 19.359 27.151 1.00 53.22 H new ATOM 0 HD13 LEU A 95 -1.043 18.027 26.800 1.00 53.22 H new ATOM 0 HD21 LEU A 95 -3.232 15.916 26.309 1.00 10.24 H new ATOM 0 HD22 LEU A 95 -1.785 15.626 27.303 1.00 10.24 H new ATOM 0 HD23 LEU A 95 -3.405 15.361 27.991 1.00 10.24 H new ATOM 1353 N THR A 96 -4.133 18.803 31.670 1.00 75.33 N ATOM 1354 CA THR A 96 -4.617 18.612 33.031 1.00 14.11 C ATOM 1355 C THR A 96 -5.132 17.192 33.238 1.00 51.21 C ATOM 1356 O THR A 96 -6.188 16.823 32.724 1.00 61.31 O ATOM 1357 CB THR A 96 -5.742 19.608 33.372 1.00 3.33 C ATOM 1358 OG1 THR A 96 -5.284 20.951 33.175 1.00 65.50 O ATOM 1359 CG2 THR A 96 -6.204 19.431 34.811 1.00 44.02 C ATOM 0 H THR A 96 -4.857 19.051 30.996 1.00 75.33 H new ATOM 0 HA THR A 96 -3.771 18.789 33.695 1.00 14.11 H new ATOM 0 HB THR A 96 -6.585 19.411 32.709 1.00 3.33 H new ATOM 0 HG1 THR A 96 -5.856 21.569 33.676 1.00 65.50 H new ATOM 0 HG21 THR A 96 -6.998 20.145 35.028 1.00 44.02 H new ATOM 0 HG22 THR A 96 -6.579 18.417 34.951 1.00 44.02 H new ATOM 0 HG23 THR A 96 -5.366 19.604 35.486 1.00 44.02 H new ATOM 1367 N VAL A 97 -4.380 16.399 33.995 1.00 42.44 N ATOM 1368 CA VAL A 97 -4.761 15.020 34.271 1.00 33.41 C ATOM 1369 C VAL A 97 -5.016 14.808 35.759 1.00 34.41 C ATOM 1370 O VAL A 97 -4.185 15.153 36.597 1.00 1.41 O ATOM 1371 CB VAL A 97 -3.676 14.032 33.802 1.00 51.43 C ATOM 1372 CG1 VAL A 97 -4.158 12.598 33.952 1.00 31.42 C ATOM 1373 CG2 VAL A 97 -3.280 14.322 32.362 1.00 43.11 C ATOM 0 H VAL A 97 -3.503 16.689 34.428 1.00 42.44 H new ATOM 0 HA VAL A 97 -5.680 14.829 33.716 1.00 33.41 H new ATOM 0 HB VAL A 97 -2.795 14.161 34.431 1.00 51.43 H new ATOM 0 HG11 VAL A 97 -3.378 11.915 33.616 1.00 31.42 H new ATOM 0 HG12 VAL A 97 -4.388 12.399 34.999 1.00 31.42 H new ATOM 0 HG13 VAL A 97 -5.054 12.450 33.349 1.00 31.42 H new ATOM 0 HG21 VAL A 97 -2.513 13.615 32.046 1.00 43.11 H new ATOM 0 HG22 VAL A 97 -4.153 14.222 31.717 1.00 43.11 H new ATOM 0 HG23 VAL A 97 -2.890 15.337 32.289 1.00 43.11 H new ATOM 1383 N ASN A 98 -6.173 14.236 36.080 1.00 24.01 N ATOM 1384 CA ASN A 98 -6.538 13.977 37.468 1.00 0.41 C ATOM 1385 C ASN A 98 -6.426 12.491 37.792 1.00 20.32 C ATOM 1386 O ASN A 98 -7.402 11.747 37.693 1.00 60.21 O ATOM 1387 CB ASN A 98 -7.962 14.465 37.742 1.00 74.55 C ATOM 1388 CG ASN A 98 -8.498 15.340 36.625 1.00 75.51 C ATOM 1389 OD1 ASN A 98 -9.433 14.960 35.918 1.00 4.53 O ATOM 1390 ND2 ASN A 98 -7.908 16.517 36.461 1.00 44.40 N ATOM 0 H ASN A 98 -6.873 13.943 35.398 1.00 24.01 H new ATOM 0 HA ASN A 98 -5.845 14.523 38.108 1.00 0.41 H new ATOM 0 HB2 ASN A 98 -8.619 13.605 37.873 1.00 74.55 H new ATOM 0 HB3 ASN A 98 -7.978 15.024 38.677 1.00 74.55 H new ATOM 0 HD21 ASN A 98 -8.226 17.149 35.726 1.00 44.40 H new ATOM 0 HD22 ASN A 98 -7.137 16.790 37.070 1.00 44.40 H new ATOM 1397 N LYS A 99 -5.229 12.064 38.181 1.00 52.12 N ATOM 1398 CA LYS A 99 -4.988 10.667 38.522 1.00 41.20 C ATOM 1399 C LYS A 99 -5.764 10.271 39.774 1.00 4.13 C ATOM 1400 O LYS A 99 -5.342 10.557 40.895 1.00 24.24 O ATOM 1401 CB LYS A 99 -3.492 10.424 38.737 1.00 14.34 C ATOM 1402 CG LYS A 99 -3.180 9.085 39.383 1.00 15.42 C ATOM 1403 CD LYS A 99 -2.718 9.254 40.821 1.00 75.11 C ATOM 1404 CE LYS A 99 -3.234 8.131 41.707 1.00 34.24 C ATOM 1405 NZ LYS A 99 -2.868 8.338 43.136 1.00 44.44 N ATOM 0 H LYS A 99 -4.410 12.666 38.268 1.00 52.12 H new ATOM 0 HA LYS A 99 -5.334 10.051 37.692 1.00 41.20 H new ATOM 0 HB2 LYS A 99 -2.981 10.482 37.776 1.00 14.34 H new ATOM 0 HB3 LYS A 99 -3.089 11.222 39.361 1.00 14.34 H new ATOM 0 HG2 LYS A 99 -4.067 8.452 39.357 1.00 15.42 H new ATOM 0 HG3 LYS A 99 -2.407 8.574 38.809 1.00 15.42 H new ATOM 0 HD2 LYS A 99 -1.629 9.274 40.854 1.00 75.11 H new ATOM 0 HD3 LYS A 99 -3.066 10.212 41.206 1.00 75.11 H new ATOM 0 HE2 LYS A 99 -4.318 8.066 41.616 1.00 34.24 H new ATOM 0 HE3 LYS A 99 -2.827 7.180 41.362 1.00 34.24 H new ATOM 0 HZ1 LYS A 99 -3.238 7.551 43.707 1.00 44.44 H new ATOM 0 HZ2 LYS A 99 -1.833 8.375 43.227 1.00 44.44 H new ATOM 0 HZ3 LYS A 99 -3.277 9.233 43.473 1.00 44.44 H new ATOM 1419 N THR A 100 -6.900 9.610 39.577 1.00 51.12 N ATOM 1420 CA THR A 100 -7.734 9.174 40.690 1.00 52.53 C ATOM 1421 C THR A 100 -7.541 7.689 40.973 1.00 1.23 C ATOM 1422 O THR A 100 -8.427 7.031 41.519 1.00 2.42 O ATOM 1423 CB THR A 100 -9.225 9.443 40.413 1.00 74.23 C ATOM 1424 OG1 THR A 100 -9.589 8.914 39.133 1.00 60.42 O ATOM 1425 CG2 THR A 100 -9.524 10.934 40.454 1.00 63.01 C ATOM 0 H THR A 100 -7.264 9.365 38.656 1.00 51.12 H new ATOM 0 HA THR A 100 -7.424 9.750 41.562 1.00 52.53 H new ATOM 0 HB THR A 100 -9.810 8.950 41.190 1.00 74.23 H new ATOM 0 HG1 THR A 100 -10.539 9.088 38.965 1.00 60.42 H new ATOM 0 HG21 THR A 100 -10.583 11.098 40.255 1.00 63.01 H new ATOM 0 HG22 THR A 100 -9.274 11.328 41.439 1.00 63.01 H new ATOM 0 HG23 THR A 100 -8.929 11.445 39.697 1.00 63.01 H new