USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=39 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 54 SER OG : rot -160:sc= -1.02 USER MOD Set 1.2: A 56 ASN :FLIP amide:sc= -2.9! C(o=-11!,f=-5.7!) USER MOD Set 1.3: A 59 GLN : amide:sc= -1.83 K(o=-5.7,f=-13!) USER MOD Set 2.1: A 49 SER OG : rot -155:sc= 1.24 USER MOD Set 2.2: A 86 TYR OH : rot 0:sc= 1.05 USER MOD Set 3.1: A 29 SER OG : rot -103:sc= 0.269 USER MOD Set 3.2: A 73 THR OG1 : rot 180:sc= 0.241 USER MOD Set 4.1: A 23 ASN :FLIP amide:sc= 0.833 F(o=-2.2,f=1.9) USER MOD Set 4.2: A 96 THR OG1 : rot 125:sc= 1.05 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 14 SER OG : rot 180:sc=-0.00303 USER MOD Set 6.1: A 11 THR OG1 : rot -33:sc= 0.276 USER MOD Set 6.2: A 39 SER OG : rot 180:sc= -0.0111 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= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 25 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.2) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 27 THR OG1 : rot 138:sc= -1.28 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.712) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0465 F(o=-0.93,f=-0.046) USER MOD Single : A 37 THR OG1 : rot 60:sc= 1.07 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 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 150:sc= -0.788 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 51 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00272 X(o=-0.0027,f=-0.49) 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= -3.02 K(o=-3,f=-6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0727 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0647 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= -0.472 K(o=-0.47,f=-4.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.0661 F(o=-1.8!,f=-0.066) 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 14.530 17.998 4.104 1.00 75.31 N ATOM 142 CA THR A 11 15.313 19.122 4.600 1.00 53.43 C ATOM 143 C THR A 11 14.488 19.995 5.539 1.00 41.00 C ATOM 144 O THR A 11 13.647 20.779 5.097 1.00 72.53 O ATOM 145 CB THR A 11 15.843 19.991 3.443 1.00 32.03 C ATOM 146 OG1 THR A 11 14.802 20.223 2.488 1.00 71.23 O ATOM 147 CG2 THR A 11 17.025 19.320 2.760 1.00 30.14 C ATOM 0 HA THR A 11 16.158 18.702 5.147 1.00 53.43 H new ATOM 0 HB THR A 11 16.175 20.944 3.856 1.00 32.03 H new ATOM 0 HG1 THR A 11 14.212 19.442 2.451 1.00 71.23 H new ATOM 0 HG21 THR A 11 17.382 19.952 1.947 1.00 30.14 H new ATOM 0 HG22 THR A 11 17.827 19.172 3.483 1.00 30.14 H new ATOM 0 HG23 THR A 11 16.714 18.355 2.360 1.00 30.14 H new ATOM 155 N LEU A 12 14.734 19.856 6.837 1.00 63.21 N ATOM 156 CA LEU A 12 14.014 20.633 7.840 1.00 64.11 C ATOM 157 C LEU A 12 14.800 21.881 8.229 1.00 63.01 C ATOM 158 O LEU A 12 15.919 21.790 8.734 1.00 62.20 O ATOM 159 CB LEU A 12 13.746 19.778 9.080 1.00 41.22 C ATOM 160 CG LEU A 12 14.935 18.979 9.615 1.00 41.35 C ATOM 161 CD1 LEU A 12 14.898 18.919 11.134 1.00 73.34 C ATOM 162 CD2 LEU A 12 14.945 17.577 9.023 1.00 10.20 C ATOM 0 H LEU A 12 15.427 19.212 7.220 1.00 63.21 H new ATOM 0 HA LEU A 12 13.063 20.945 7.409 1.00 64.11 H new ATOM 0 HB2 LEU A 12 13.385 20.430 9.875 1.00 41.22 H new ATOM 0 HB3 LEU A 12 12.940 19.081 8.849 1.00 41.22 H new ATOM 0 HG LEU A 12 15.853 19.485 9.315 1.00 41.35 H new ATOM 0 HD11 LEU A 12 15.752 18.346 11.496 1.00 73.34 H new ATOM 0 HD12 LEU A 12 14.941 19.930 11.539 1.00 73.34 H new ATOM 0 HD13 LEU A 12 13.975 18.437 11.457 1.00 73.34 H new ATOM 0 HD21 LEU A 12 15.798 17.023 9.415 1.00 10.20 H new ATOM 0 HD22 LEU A 12 14.023 17.062 9.292 1.00 10.20 H new ATOM 0 HD23 LEU A 12 15.021 17.641 7.938 1.00 10.20 H new ATOM 174 N SER A 13 14.206 23.046 7.992 1.00 11.02 N ATOM 175 CA SER A 13 14.851 24.313 8.316 1.00 12.03 C ATOM 176 C SER A 13 14.134 25.008 9.469 1.00 14.35 C ATOM 177 O SER A 13 14.767 25.498 10.404 1.00 4.12 O ATOM 178 CB SER A 13 14.873 25.227 7.089 1.00 21.25 C ATOM 179 OG SER A 13 15.244 26.548 7.444 1.00 31.31 O ATOM 0 H SER A 13 13.279 23.139 7.577 1.00 11.02 H new ATOM 0 HA SER A 13 15.876 24.103 8.622 1.00 12.03 H new ATOM 0 HB2 SER A 13 15.574 24.835 6.352 1.00 21.25 H new ATOM 0 HB3 SER A 13 13.889 25.236 6.620 1.00 21.25 H new ATOM 0 HG SER A 13 15.252 27.112 6.643 1.00 31.31 H new ATOM 185 N SER A 14 12.807 25.047 9.396 1.00 40.24 N ATOM 186 CA SER A 14 12.002 25.686 10.430 1.00 21.55 C ATOM 187 C SER A 14 10.726 24.892 10.693 1.00 20.30 C ATOM 188 O SER A 14 10.190 24.243 9.794 1.00 14.21 O ATOM 189 CB SER A 14 11.651 27.117 10.022 1.00 14.42 C ATOM 190 OG SER A 14 12.562 27.610 9.055 1.00 11.44 O ATOM 0 H SER A 14 12.267 24.643 8.631 1.00 40.24 H new ATOM 0 HA SER A 14 12.589 25.712 11.348 1.00 21.55 H new ATOM 0 HB2 SER A 14 10.638 27.146 9.620 1.00 14.42 H new ATOM 0 HB3 SER A 14 11.664 27.762 10.900 1.00 14.42 H new ATOM 0 HG SER A 14 12.315 28.526 8.810 1.00 11.44 H new ATOM 196 N ILE A 15 10.246 24.948 11.931 1.00 51.13 N ATOM 197 CA ILE A 15 9.033 24.236 12.312 1.00 33.21 C ATOM 198 C ILE A 15 8.135 25.107 13.185 1.00 24.50 C ATOM 199 O ILE A 15 8.615 25.969 13.920 1.00 45.51 O ATOM 200 CB ILE A 15 9.358 22.934 13.068 1.00 42.01 C ATOM 201 CG1 ILE A 15 10.403 22.121 12.301 1.00 74.43 C ATOM 202 CG2 ILE A 15 8.094 22.115 13.282 1.00 52.43 C ATOM 203 CD1 ILE A 15 9.910 21.613 10.964 1.00 61.14 C ATOM 0 H ILE A 15 10.679 25.479 12.687 1.00 51.13 H new ATOM 0 HA ILE A 15 8.509 23.989 11.389 1.00 33.21 H new ATOM 0 HB ILE A 15 9.769 23.191 14.044 1.00 42.01 H new ATOM 0 HG12 ILE A 15 11.287 22.738 12.143 1.00 74.43 H new ATOM 0 HG13 ILE A 15 10.712 21.273 12.912 1.00 74.43 H new ATOM 0 HG21 ILE A 15 8.341 21.198 13.817 1.00 52.43 H new ATOM 0 HG22 ILE A 15 7.379 22.695 13.866 1.00 52.43 H new ATOM 0 HG23 ILE A 15 7.655 21.864 12.316 1.00 52.43 H new ATOM 0 HD11 ILE A 15 10.702 21.046 10.476 1.00 61.14 H new ATOM 0 HD12 ILE A 15 9.044 20.969 11.116 1.00 61.14 H new ATOM 0 HD13 ILE A 15 9.628 22.458 10.335 1.00 61.14 H new ATOM 215 N SER A 16 6.830 24.873 13.100 1.00 33.23 N ATOM 216 CA SER A 16 5.864 25.637 13.881 1.00 0.11 C ATOM 217 C SER A 16 4.906 24.708 14.621 1.00 63.02 C ATOM 218 O SER A 16 4.461 23.697 14.076 1.00 14.35 O ATOM 219 CB SER A 16 5.076 26.582 12.973 1.00 54.54 C ATOM 220 OG SER A 16 5.432 27.933 13.210 1.00 10.31 O ATOM 0 H SER A 16 6.417 24.161 12.498 1.00 33.23 H new ATOM 0 HA SER A 16 6.413 26.225 14.617 1.00 0.11 H new ATOM 0 HB2 SER A 16 5.265 26.331 11.929 1.00 54.54 H new ATOM 0 HB3 SER A 16 4.008 26.449 13.144 1.00 54.54 H new ATOM 0 HG SER A 16 4.915 28.516 12.616 1.00 10.31 H new ATOM 226 N ILE A 17 4.595 25.058 15.864 1.00 32.11 N ATOM 227 CA ILE A 17 3.690 24.257 16.679 1.00 74.34 C ATOM 228 C ILE A 17 2.568 25.112 17.257 1.00 55.21 C ATOM 229 O ILE A 17 2.778 26.271 17.616 1.00 62.32 O ATOM 230 CB ILE A 17 4.436 23.561 17.832 1.00 4.41 C ATOM 231 CG1 ILE A 17 3.539 22.511 18.490 1.00 62.35 C ATOM 232 CG2 ILE A 17 4.900 24.586 18.857 1.00 51.02 C ATOM 233 CD1 ILE A 17 4.169 21.847 19.694 1.00 14.35 C ATOM 0 H ILE A 17 4.956 25.891 16.329 1.00 32.11 H new ATOM 0 HA ILE A 17 3.264 23.498 16.023 1.00 74.34 H new ATOM 0 HB ILE A 17 5.314 23.058 17.426 1.00 4.41 H new ATOM 0 HG12 ILE A 17 2.604 22.982 18.793 1.00 62.35 H new ATOM 0 HG13 ILE A 17 3.287 21.747 17.754 1.00 62.35 H new ATOM 0 HG21 ILE A 17 5.426 24.079 19.666 1.00 51.02 H new ATOM 0 HG22 ILE A 17 5.571 25.300 18.379 1.00 51.02 H new ATOM 0 HG23 ILE A 17 4.036 25.114 19.260 1.00 51.02 H new ATOM 0 HD11 ILE A 17 3.477 21.115 20.109 1.00 14.35 H new ATOM 0 HD12 ILE A 17 5.090 21.347 19.393 1.00 14.35 H new ATOM 0 HD13 ILE A 17 4.395 22.601 20.448 1.00 14.35 H new ATOM 245 N SER A 18 1.375 24.533 17.346 1.00 74.32 N ATOM 246 CA SER A 18 0.218 25.242 17.879 1.00 12.41 C ATOM 247 C SER A 18 -0.423 24.457 19.019 1.00 11.14 C ATOM 248 O SER A 18 -1.500 23.876 18.879 1.00 4.30 O ATOM 249 CB SER A 18 -0.810 25.489 16.773 1.00 33.33 C ATOM 250 OG SER A 18 -0.273 26.310 15.751 1.00 11.33 O ATOM 0 H SER A 18 1.184 23.574 17.056 1.00 74.32 H new ATOM 0 HA SER A 18 0.559 26.201 18.269 1.00 12.41 H new ATOM 0 HB2 SER A 18 -1.128 24.537 16.349 1.00 33.33 H new ATOM 0 HB3 SER A 18 -1.697 25.962 17.195 1.00 33.33 H new ATOM 0 HG SER A 18 -0.949 26.451 15.056 1.00 11.33 H new ATOM 256 N PRO A 19 0.254 24.438 20.177 1.00 13.12 N ATOM 257 CA PRO A 19 -0.230 23.728 21.365 1.00 1.42 C ATOM 258 C PRO A 19 -1.456 24.395 21.980 1.00 42.22 C ATOM 259 O PRO A 19 -1.702 25.582 21.763 1.00 54.00 O ATOM 260 CB PRO A 19 0.957 23.800 22.329 1.00 42.01 C ATOM 261 CG PRO A 19 1.716 25.011 21.906 1.00 34.35 C ATOM 262 CD PRO A 19 1.543 25.108 20.416 1.00 50.31 C ATOM 0 HA PRO A 19 -0.547 22.712 21.131 1.00 1.42 H new ATOM 0 HB2 PRO A 19 0.623 23.884 23.363 1.00 42.01 H new ATOM 0 HB3 PRO A 19 1.574 22.904 22.265 1.00 42.01 H new ATOM 0 HG2 PRO A 19 1.335 25.904 22.402 1.00 34.35 H new ATOM 0 HG3 PRO A 19 2.770 24.924 22.172 1.00 34.35 H new ATOM 0 HD2 PRO A 19 1.525 26.145 20.080 1.00 50.31 H new ATOM 0 HD3 PRO A 19 2.357 24.615 19.884 1.00 50.31 H new ATOM 270 N ILE A 20 -2.220 23.625 22.747 1.00 52.31 N ATOM 271 CA ILE A 20 -3.419 24.143 23.394 1.00 75.02 C ATOM 272 C ILE A 20 -3.513 23.667 24.840 1.00 51.35 C ATOM 273 O ILE A 20 -3.483 22.468 25.112 1.00 14.11 O ATOM 274 CB ILE A 20 -4.694 23.716 22.641 1.00 3.42 C ATOM 275 CG1 ILE A 20 -5.937 24.252 23.355 1.00 61.15 C ATOM 276 CG2 ILE A 20 -4.756 22.201 22.522 1.00 12.01 C ATOM 277 CD1 ILE A 20 -7.221 24.018 22.589 1.00 25.44 C ATOM 0 H ILE A 20 -2.030 22.641 22.936 1.00 52.31 H new ATOM 0 HA ILE A 20 -3.343 25.230 23.376 1.00 75.02 H new ATOM 0 HB ILE A 20 -4.665 24.138 21.637 1.00 3.42 H new ATOM 0 HG12 ILE A 20 -6.016 23.779 24.334 1.00 61.15 H new ATOM 0 HG13 ILE A 20 -5.815 25.322 23.526 1.00 61.15 H new ATOM 0 HG21 ILE A 20 -5.662 21.915 21.988 1.00 12.01 H new ATOM 0 HG22 ILE A 20 -3.884 21.843 21.975 1.00 12.01 H new ATOM 0 HG23 ILE A 20 -4.767 21.758 23.518 1.00 12.01 H new ATOM 0 HD11 ILE A 20 -8.061 24.423 23.154 1.00 25.44 H new ATOM 0 HD12 ILE A 20 -7.162 24.514 21.620 1.00 25.44 H new ATOM 0 HD13 ILE A 20 -7.366 22.948 22.441 1.00 25.44 H new ATOM 289 N ASN A 21 -3.628 24.616 25.763 1.00 52.53 N ATOM 290 CA ASN A 21 -3.728 24.295 27.182 1.00 61.53 C ATOM 291 C ASN A 21 -5.159 23.922 27.556 1.00 53.12 C ATOM 292 O ASN A 21 -6.025 24.789 27.686 1.00 23.55 O ATOM 293 CB ASN A 21 -3.259 25.479 28.029 1.00 52.21 C ATOM 294 CG ASN A 21 -2.021 26.144 27.458 1.00 14.15 C ATOM 295 OD1 ASN A 21 -1.188 25.493 26.828 1.00 10.12 O ATOM 296 ND2 ASN A 21 -1.896 27.448 27.678 1.00 21.20 N ATOM 0 H ASN A 21 -3.654 25.614 25.554 1.00 52.53 H new ATOM 0 HA ASN A 21 -3.085 23.438 27.381 1.00 61.53 H new ATOM 0 HB2 ASN A 21 -4.062 26.212 28.100 1.00 52.21 H new ATOM 0 HB3 ASN A 21 -3.050 25.137 29.043 1.00 52.21 H new ATOM 0 HD21 ASN A 21 -1.084 27.950 27.319 1.00 21.20 H new ATOM 0 HD22 ASN A 21 -2.612 27.947 28.206 1.00 21.20 H new ATOM 303 N THR A 22 -5.402 22.626 27.728 1.00 54.44 N ATOM 304 CA THR A 22 -6.728 22.138 28.086 1.00 10.41 C ATOM 305 C THR A 22 -6.659 21.175 29.265 1.00 20.04 C ATOM 306 O THR A 22 -5.611 20.593 29.543 1.00 12.20 O ATOM 307 CB THR A 22 -7.406 21.430 26.898 1.00 11.02 C ATOM 308 OG1 THR A 22 -6.882 21.932 25.664 1.00 3.31 O ATOM 309 CG2 THR A 22 -8.913 21.634 26.935 1.00 12.01 C ATOM 0 H THR A 22 -4.697 21.896 27.625 1.00 54.44 H new ATOM 0 HA THR A 22 -7.320 23.009 28.366 1.00 10.41 H new ATOM 0 HB THR A 22 -7.198 20.363 26.973 1.00 11.02 H new ATOM 0 HG1 THR A 22 -7.317 21.475 24.914 1.00 3.31 H new ATOM 0 HG21 THR A 22 -9.370 21.125 26.086 1.00 12.01 H new ATOM 0 HG22 THR A 22 -9.313 21.224 27.862 1.00 12.01 H new ATOM 0 HG23 THR A 22 -9.137 22.699 26.883 1.00 12.01 H new ATOM 317 N ASN A 23 -7.783 21.011 29.956 1.00 63.41 N ATOM 318 CA ASN A 23 -7.849 20.117 31.106 1.00 31.52 C ATOM 319 C ASN A 23 -8.885 19.019 30.883 1.00 63.31 C ATOM 320 O ASN A 23 -9.989 19.281 30.406 1.00 12.20 O ATOM 321 CB ASN A 23 -8.190 20.905 32.372 1.00 13.12 C ATOM 322 CG ASN A 23 -7.569 22.288 32.377 1.00 50.52 C ATOM 323 OD1 ASN A 23 -6.291 22.364 32.024 1.00 43.14 O flip ATOM 324 ND2 ASN A 23 -8.231 23.277 32.694 1.00 51.12 N flip ATOM 0 H ASN A 23 -8.660 21.485 29.739 1.00 63.41 H new ATOM 0 HA ASN A 23 -6.871 19.651 31.228 1.00 31.52 H new ATOM 0 HB2 ASN A 23 -9.273 20.996 32.460 1.00 13.12 H new ATOM 0 HB3 ASN A 23 -7.845 20.352 33.245 1.00 13.12 H new ATOM 0 HD21 ASN A 23 -9.210 23.172 32.958 1.00 51.12 H new ATOM 0 HD22 ASN A 23 -7.800 24.201 32.692 1.00 51.12 H new ATOM 331 N ILE A 24 -8.520 17.789 31.231 1.00 10.41 N ATOM 332 CA ILE A 24 -9.418 16.652 31.070 1.00 2.43 C ATOM 333 C ILE A 24 -9.270 15.668 32.225 1.00 31.33 C ATOM 334 O ILE A 24 -8.226 15.606 32.872 1.00 4.52 O ATOM 335 CB ILE A 24 -9.159 15.914 29.744 1.00 24.51 C ATOM 336 CG1 ILE A 24 -10.392 15.106 29.335 1.00 33.05 C ATOM 337 CG2 ILE A 24 -7.944 15.007 29.872 1.00 63.22 C ATOM 338 CD1 ILE A 24 -11.615 15.959 29.081 1.00 74.45 C ATOM 0 H ILE A 24 -7.609 17.555 31.626 1.00 10.41 H new ATOM 0 HA ILE A 24 -10.433 17.049 31.062 1.00 2.43 H new ATOM 0 HB ILE A 24 -8.958 16.652 28.968 1.00 24.51 H new ATOM 0 HG12 ILE A 24 -10.162 14.538 28.434 1.00 33.05 H new ATOM 0 HG13 ILE A 24 -10.619 14.383 30.119 1.00 33.05 H new ATOM 0 HG21 ILE A 24 -7.773 14.492 28.927 1.00 63.22 H new ATOM 0 HG22 ILE A 24 -7.068 15.605 30.123 1.00 63.22 H new ATOM 0 HG23 ILE A 24 -8.119 14.273 30.659 1.00 63.22 H new ATOM 0 HD11 ILE A 24 -12.451 15.321 28.795 1.00 74.45 H new ATOM 0 HD12 ILE A 24 -11.871 16.508 29.988 1.00 74.45 H new ATOM 0 HD13 ILE A 24 -11.406 16.664 28.277 1.00 74.45 H new ATOM 350 N ASN A 25 -10.323 14.897 32.477 1.00 53.00 N ATOM 351 CA ASN A 25 -10.311 13.913 33.554 1.00 44.25 C ATOM 352 C ASN A 25 -10.747 12.543 33.043 1.00 2.14 C ATOM 353 O ASN A 25 -11.196 12.406 31.905 1.00 61.50 O ATOM 354 CB ASN A 25 -11.228 14.361 34.693 1.00 51.40 C ATOM 355 CG ASN A 25 -10.924 13.646 35.995 1.00 12.33 C ATOM 356 OD1 ASN A 25 -11.822 13.114 36.648 1.00 21.11 O ATOM 357 ND2 ASN A 25 -9.653 13.631 36.379 1.00 10.42 N ATOM 0 H ASN A 25 -11.196 14.935 31.950 1.00 53.00 H new ATOM 0 HA ASN A 25 -9.291 13.834 33.929 1.00 44.25 H new ATOM 0 HB2 ASN A 25 -11.123 15.436 34.839 1.00 51.40 H new ATOM 0 HB3 ASN A 25 -12.266 14.177 34.414 1.00 51.40 H new ATOM 0 HD21 ASN A 25 -9.388 13.165 37.247 1.00 10.42 H new ATOM 0 HD22 ASN A 25 -8.942 14.085 35.806 1.00 10.42 H new ATOM 364 N THR A 26 -10.612 11.530 33.894 1.00 12.43 N ATOM 365 CA THR A 26 -10.991 10.171 33.531 1.00 73.04 C ATOM 366 C THR A 26 -10.029 9.589 32.501 1.00 34.54 C ATOM 367 O THR A 26 -10.393 8.702 31.727 1.00 0.34 O ATOM 368 CB THR A 26 -12.423 10.119 32.965 1.00 12.41 C ATOM 369 OG1 THR A 26 -13.224 11.144 33.565 1.00 31.41 O ATOM 370 CG2 THR A 26 -13.056 8.760 33.219 1.00 75.35 C ATOM 0 H THR A 26 -10.243 11.626 34.840 1.00 12.43 H new ATOM 0 HA THR A 26 -10.947 9.576 34.443 1.00 73.04 H new ATOM 0 HB THR A 26 -12.371 10.282 31.889 1.00 12.41 H new ATOM 0 HG1 THR A 26 -14.132 11.106 33.199 1.00 31.41 H new ATOM 0 HG21 THR A 26 -14.067 8.747 32.811 1.00 75.35 H new ATOM 0 HG22 THR A 26 -12.460 7.985 32.737 1.00 75.35 H new ATOM 0 HG23 THR A 26 -13.096 8.572 34.292 1.00 75.35 H new ATOM 378 N THR A 27 -8.799 10.091 32.497 1.00 4.24 N ATOM 379 CA THR A 27 -7.784 9.621 31.563 1.00 71.02 C ATOM 380 C THR A 27 -8.229 9.826 30.119 1.00 30.12 C ATOM 381 O THR A 27 -9.029 9.054 29.590 1.00 12.31 O ATOM 382 CB THR A 27 -7.465 8.130 31.783 1.00 12.20 C ATOM 383 OG1 THR A 27 -8.045 7.682 33.013 1.00 75.42 O ATOM 384 CG2 THR A 27 -5.962 7.897 31.811 1.00 72.44 C ATOM 0 H THR A 27 -8.481 10.824 33.131 1.00 4.24 H new ATOM 0 HA THR A 27 -6.885 10.209 31.751 1.00 71.02 H new ATOM 0 HB THR A 27 -7.889 7.564 30.954 1.00 12.20 H new ATOM 0 HG1 THR A 27 -8.444 6.796 32.883 1.00 75.42 H new ATOM 0 HG21 THR A 27 -5.761 6.837 31.968 1.00 72.44 H new ATOM 0 HG22 THR A 27 -5.527 8.213 30.863 1.00 72.44 H new ATOM 0 HG23 THR A 27 -5.519 8.474 32.623 1.00 72.44 H new ATOM 392 N VAL A 28 -7.705 10.871 29.486 1.00 60.51 N ATOM 393 CA VAL A 28 -8.047 11.176 28.102 1.00 71.11 C ATOM 394 C VAL A 28 -6.842 11.724 27.346 1.00 40.10 C ATOM 395 O VAL A 28 -5.890 12.219 27.950 1.00 54.54 O ATOM 396 CB VAL A 28 -9.198 12.196 28.020 1.00 10.12 C ATOM 397 CG1 VAL A 28 -9.787 12.226 26.618 1.00 32.42 C ATOM 398 CG2 VAL A 28 -10.269 11.874 29.051 1.00 73.20 C ATOM 0 H VAL A 28 -7.042 11.520 29.910 1.00 60.51 H new ATOM 0 HA VAL A 28 -8.367 10.241 27.642 1.00 71.11 H new ATOM 0 HB VAL A 28 -8.799 13.186 28.241 1.00 10.12 H new ATOM 0 HG11 VAL A 28 -10.599 12.952 26.580 1.00 32.42 H new ATOM 0 HG12 VAL A 28 -9.013 12.509 25.904 1.00 32.42 H new ATOM 0 HG13 VAL A 28 -10.172 11.238 26.364 1.00 32.42 H new ATOM 0 HG21 VAL A 28 -11.075 12.605 28.979 1.00 73.20 H new ATOM 0 HG22 VAL A 28 -10.666 10.876 28.864 1.00 73.20 H new ATOM 0 HG23 VAL A 28 -9.835 11.910 30.050 1.00 73.20 H new ATOM 408 N SER A 29 -6.890 11.632 26.021 1.00 43.32 N ATOM 409 CA SER A 29 -5.800 12.116 25.181 1.00 0.23 C ATOM 410 C SER A 29 -6.040 13.563 24.761 1.00 43.14 C ATOM 411 O SER A 29 -7.161 13.948 24.428 1.00 42.01 O ATOM 412 CB SER A 29 -5.651 11.231 23.942 1.00 4.15 C ATOM 413 OG SER A 29 -6.353 10.010 24.100 1.00 5.24 O ATOM 0 H SER A 29 -7.672 11.227 25.506 1.00 43.32 H new ATOM 0 HA SER A 29 -4.879 12.072 25.762 1.00 0.23 H new ATOM 0 HB2 SER A 29 -6.027 11.760 23.066 1.00 4.15 H new ATOM 0 HB3 SER A 29 -4.596 11.027 23.762 1.00 4.15 H new ATOM 0 HG SER A 29 -5.718 9.291 24.299 1.00 5.24 H new ATOM 419 N LYS A 30 -4.978 14.361 24.778 1.00 4.21 N ATOM 420 CA LYS A 30 -5.069 15.766 24.398 1.00 71.11 C ATOM 421 C LYS A 30 -4.631 15.967 22.951 1.00 53.43 C ATOM 422 O LYS A 30 -3.506 15.632 22.581 1.00 13.13 O ATOM 423 CB LYS A 30 -4.207 16.624 25.327 1.00 54.23 C ATOM 424 CG LYS A 30 -4.956 17.793 25.944 1.00 74.41 C ATOM 425 CD LYS A 30 -6.144 17.322 26.766 1.00 75.22 C ATOM 426 CE LYS A 30 -7.461 17.625 26.067 1.00 61.22 C ATOM 427 NZ LYS A 30 -8.419 16.490 26.173 1.00 72.24 N ATOM 0 H LYS A 30 -4.043 14.058 25.051 1.00 4.21 H new ATOM 0 HA LYS A 30 -6.110 16.075 24.491 1.00 71.11 H new ATOM 0 HB2 LYS A 30 -3.811 15.996 26.125 1.00 54.23 H new ATOM 0 HB3 LYS A 30 -3.353 17.005 24.767 1.00 54.23 H new ATOM 0 HG2 LYS A 30 -4.279 18.367 26.577 1.00 74.41 H new ATOM 0 HG3 LYS A 30 -5.300 18.463 25.156 1.00 74.41 H new ATOM 0 HD2 LYS A 30 -6.063 16.249 26.943 1.00 75.22 H new ATOM 0 HD3 LYS A 30 -6.128 17.808 27.742 1.00 75.22 H new ATOM 0 HE2 LYS A 30 -7.907 18.519 26.504 1.00 61.22 H new ATOM 0 HE3 LYS A 30 -7.272 17.844 25.016 1.00 61.22 H new ATOM 0 HZ1 LYS A 30 -9.392 16.857 26.186 1.00 72.24 H new ATOM 0 HZ2 LYS A 30 -8.299 15.857 25.357 1.00 72.24 H new ATOM 0 HZ3 LYS A 30 -8.236 15.962 27.050 1.00 72.24 H new ATOM 441 N GLN A 31 -5.527 16.518 22.137 1.00 21.04 N ATOM 442 CA GLN A 31 -5.231 16.764 20.731 1.00 13.50 C ATOM 443 C GLN A 31 -4.447 18.061 20.559 1.00 53.23 C ATOM 444 O GLN A 31 -4.796 19.091 21.137 1.00 62.03 O ATOM 445 CB GLN A 31 -6.526 16.826 19.919 1.00 32.20 C ATOM 446 CG GLN A 31 -6.991 15.470 19.412 1.00 41.22 C ATOM 447 CD GLN A 31 -6.522 15.183 17.999 1.00 4.42 C ATOM 448 OE1 GLN A 31 -5.259 15.487 17.721 1.00 13.42 O flip ATOM 449 NE2 GLN A 31 -7.285 14.694 17.166 1.00 11.04 N flip ATOM 0 H GLN A 31 -6.463 16.802 22.427 1.00 21.04 H new ATOM 0 HA GLN A 31 -4.619 15.939 20.365 1.00 13.50 H new ATOM 0 HB2 GLN A 31 -7.311 17.263 20.536 1.00 32.20 H new ATOM 0 HB3 GLN A 31 -6.381 17.492 19.069 1.00 32.20 H new ATOM 0 HG2 GLN A 31 -6.621 14.691 20.079 1.00 41.22 H new ATOM 0 HG3 GLN A 31 -8.080 15.428 19.445 1.00 41.22 H new ATOM 0 HE21 GLN A 31 -8.248 14.476 17.422 1.00 11.04 H new ATOM 0 HE22 GLN A 31 -6.954 14.507 16.219 1.00 11.04 H new ATOM 458 N PHE A 32 -3.386 18.004 19.760 1.00 34.15 N ATOM 459 CA PHE A 32 -2.552 19.174 19.513 1.00 24.31 C ATOM 460 C PHE A 32 -2.305 19.360 18.019 1.00 75.03 C ATOM 461 O PHE A 32 -2.683 18.516 17.206 1.00 75.01 O ATOM 462 CB PHE A 32 -1.217 19.039 20.248 1.00 24.34 C ATOM 463 CG PHE A 32 -1.358 18.989 21.743 1.00 62.11 C ATOM 464 CD1 PHE A 32 -2.286 19.787 22.391 1.00 13.13 C ATOM 465 CD2 PHE A 32 -0.561 18.144 22.499 1.00 14.34 C ATOM 466 CE1 PHE A 32 -2.419 19.744 23.766 1.00 20.54 C ATOM 467 CE2 PHE A 32 -0.690 18.096 23.875 1.00 41.14 C ATOM 468 CZ PHE A 32 -1.619 18.898 24.509 1.00 21.51 C ATOM 0 H PHE A 32 -3.084 17.160 19.273 1.00 34.15 H new ATOM 0 HA PHE A 32 -3.079 20.051 19.889 1.00 24.31 H new ATOM 0 HB2 PHE A 32 -0.714 18.134 19.908 1.00 24.34 H new ATOM 0 HB3 PHE A 32 -0.577 19.879 19.979 1.00 24.34 H new ATOM 0 HD1 PHE A 32 -2.913 20.451 21.815 1.00 13.13 H new ATOM 0 HD2 PHE A 32 0.168 17.517 22.008 1.00 14.34 H new ATOM 0 HE1 PHE A 32 -3.147 20.371 24.259 1.00 20.54 H new ATOM 0 HE2 PHE A 32 -0.065 17.432 24.454 1.00 41.14 H new ATOM 0 HZ PHE A 32 -1.720 18.864 25.584 1.00 21.51 H new ATOM 478 N PHE A 33 -1.670 20.472 17.664 1.00 63.30 N ATOM 479 CA PHE A 33 -1.374 20.771 16.268 1.00 60.13 C ATOM 480 C PHE A 33 0.132 20.844 16.034 1.00 22.24 C ATOM 481 O PHE A 33 0.871 21.396 16.849 1.00 62.21 O ATOM 482 CB PHE A 33 -2.030 22.091 15.857 1.00 65.00 C ATOM 483 CG PHE A 33 -3.213 21.915 14.949 1.00 13.53 C ATOM 484 CD1 PHE A 33 -3.097 21.201 13.768 1.00 73.01 C ATOM 485 CD2 PHE A 33 -4.442 22.466 15.277 1.00 30.43 C ATOM 486 CE1 PHE A 33 -4.185 21.037 12.931 1.00 42.34 C ATOM 487 CE2 PHE A 33 -5.533 22.305 14.444 1.00 20.22 C ATOM 488 CZ PHE A 33 -5.404 21.591 13.269 1.00 60.12 C ATOM 0 H PHE A 33 -1.350 21.181 18.324 1.00 63.30 H new ATOM 0 HA PHE A 33 -1.780 19.965 15.656 1.00 60.13 H new ATOM 0 HB2 PHE A 33 -2.346 22.625 16.753 1.00 65.00 H new ATOM 0 HB3 PHE A 33 -1.289 22.716 15.358 1.00 65.00 H new ATOM 0 HD1 PHE A 33 -2.146 20.767 13.498 1.00 73.01 H new ATOM 0 HD2 PHE A 33 -4.548 23.027 16.194 1.00 30.43 H new ATOM 0 HE1 PHE A 33 -4.082 20.476 12.014 1.00 42.34 H new ATOM 0 HE2 PHE A 33 -6.486 22.737 14.712 1.00 20.22 H new ATOM 0 HZ PHE A 33 -6.255 21.466 12.616 1.00 60.12 H new ATOM 498 N ALA A 34 0.580 20.282 14.916 1.00 34.22 N ATOM 499 CA ALA A 34 1.996 20.284 14.574 1.00 25.11 C ATOM 500 C ALA A 34 2.199 20.484 13.076 1.00 3.41 C ATOM 501 O ALA A 34 1.687 19.717 12.262 1.00 74.43 O ATOM 502 CB ALA A 34 2.651 18.988 15.028 1.00 30.45 C ATOM 0 H ALA A 34 -0.018 19.819 14.232 1.00 34.22 H new ATOM 0 HA ALA A 34 2.468 21.118 15.093 1.00 25.11 H new ATOM 0 HB1 ALA A 34 3.709 19.004 14.766 1.00 30.45 H new ATOM 0 HB2 ALA A 34 2.546 18.886 16.108 1.00 30.45 H new ATOM 0 HB3 ALA A 34 2.168 18.144 14.536 1.00 30.45 H new ATOM 508 N VAL A 35 2.950 21.522 12.719 1.00 72.32 N ATOM 509 CA VAL A 35 3.221 21.823 11.318 1.00 14.02 C ATOM 510 C VAL A 35 4.715 22.001 11.073 1.00 12.34 C ATOM 511 O VAL A 35 5.420 22.603 11.883 1.00 73.34 O ATOM 512 CB VAL A 35 2.482 23.096 10.865 1.00 52.20 C ATOM 513 CG1 VAL A 35 0.979 22.862 10.841 1.00 1.04 C ATOM 514 CG2 VAL A 35 2.833 24.267 11.771 1.00 62.40 C ATOM 0 H VAL A 35 3.381 22.168 13.380 1.00 72.32 H new ATOM 0 HA VAL A 35 2.859 20.975 10.736 1.00 14.02 H new ATOM 0 HB VAL A 35 2.803 23.340 9.853 1.00 52.20 H new ATOM 0 HG11 VAL A 35 0.474 23.773 10.519 1.00 1.04 H new ATOM 0 HG12 VAL A 35 0.748 22.054 10.147 1.00 1.04 H new ATOM 0 HG13 VAL A 35 0.637 22.592 11.840 1.00 1.04 H new ATOM 0 HG21 VAL A 35 2.302 25.158 11.436 1.00 62.40 H new ATOM 0 HG22 VAL A 35 2.542 24.035 12.795 1.00 62.40 H new ATOM 0 HG23 VAL A 35 3.907 24.448 11.731 1.00 62.40 H new ATOM 524 N GLY A 36 5.192 21.474 9.950 1.00 60.01 N ATOM 525 CA GLY A 36 6.600 21.586 9.618 1.00 63.33 C ATOM 526 C GLY A 36 6.826 22.189 8.246 1.00 43.32 C ATOM 527 O GLY A 36 6.088 21.902 7.303 1.00 61.12 O ATOM 0 H GLY A 36 4.629 20.971 9.264 1.00 60.01 H new ATOM 0 HA2 GLY A 36 7.099 22.200 10.368 1.00 63.33 H new ATOM 0 HA3 GLY A 36 7.059 20.598 9.657 1.00 63.33 H new ATOM 531 N THR A 37 7.849 23.031 8.132 1.00 22.22 N ATOM 532 CA THR A 37 8.169 23.679 6.867 1.00 52.04 C ATOM 533 C THR A 37 9.511 23.198 6.326 1.00 14.41 C ATOM 534 O THR A 37 10.496 23.124 7.060 1.00 1.34 O ATOM 535 CB THR A 37 8.207 25.212 7.014 1.00 20.24 C ATOM 536 OG1 THR A 37 8.164 25.572 8.400 1.00 72.43 O ATOM 537 CG2 THR A 37 7.040 25.855 6.281 1.00 13.44 C ATOM 0 H THR A 37 8.470 23.280 8.902 1.00 22.22 H new ATOM 0 HA THR A 37 7.380 23.408 6.166 1.00 52.04 H new ATOM 0 HB THR A 37 9.136 25.575 6.573 1.00 20.24 H new ATOM 0 HG1 THR A 37 8.932 25.178 8.864 1.00 72.43 H new ATOM 0 HG21 THR A 37 7.088 26.938 6.399 1.00 13.44 H new ATOM 0 HG22 THR A 37 7.092 25.603 5.222 1.00 13.44 H new ATOM 0 HG23 THR A 37 6.102 25.486 6.696 1.00 13.44 H new ATOM 545 N TYR A 38 9.542 22.873 5.039 1.00 42.55 N ATOM 546 CA TYR A 38 10.764 22.398 4.400 1.00 52.11 C ATOM 547 C TYR A 38 11.624 23.567 3.931 1.00 51.52 C ATOM 548 O TYR A 38 11.108 24.614 3.540 1.00 41.53 O ATOM 549 CB TYR A 38 10.425 21.492 3.215 1.00 24.21 C ATOM 550 CG TYR A 38 9.962 20.111 3.622 1.00 50.23 C ATOM 551 CD1 TYR A 38 8.659 19.893 4.052 1.00 11.33 C ATOM 552 CD2 TYR A 38 10.827 19.025 3.576 1.00 20.04 C ATOM 553 CE1 TYR A 38 8.231 18.634 4.426 1.00 61.15 C ATOM 554 CE2 TYR A 38 10.408 17.762 3.946 1.00 35.13 C ATOM 555 CZ TYR A 38 9.109 17.571 4.370 1.00 11.43 C ATOM 556 OH TYR A 38 8.688 16.315 4.741 1.00 74.11 O ATOM 0 H TYR A 38 8.735 22.930 4.417 1.00 42.55 H new ATOM 0 HA TYR A 38 11.330 21.827 5.136 1.00 52.11 H new ATOM 0 HB2 TYR A 38 9.646 21.966 2.617 1.00 24.21 H new ATOM 0 HB3 TYR A 38 11.304 21.398 2.577 1.00 24.21 H new ATOM 0 HD1 TYR A 38 7.969 20.722 4.095 1.00 11.33 H new ATOM 0 HD2 TYR A 38 11.845 19.171 3.245 1.00 20.04 H new ATOM 0 HE1 TYR A 38 7.215 18.483 4.760 1.00 61.15 H new ATOM 0 HE2 TYR A 38 11.093 16.928 3.904 1.00 35.13 H new ATOM 0 HH TYR A 38 9.428 15.680 4.642 1.00 74.11 H new ATOM 566 N SER A 39 12.939 23.380 3.973 1.00 42.35 N ATOM 567 CA SER A 39 13.873 24.420 3.555 1.00 31.41 C ATOM 568 C SER A 39 13.705 24.737 2.072 1.00 12.23 C ATOM 569 O SER A 39 14.071 25.819 1.613 1.00 53.15 O ATOM 570 CB SER A 39 15.312 23.984 3.835 1.00 65.11 C ATOM 571 OG SER A 39 15.826 23.205 2.768 1.00 2.41 O ATOM 0 H SER A 39 13.382 22.518 4.292 1.00 42.35 H new ATOM 0 HA SER A 39 13.656 25.321 4.128 1.00 31.41 H new ATOM 0 HB2 SER A 39 15.939 24.863 3.983 1.00 65.11 H new ATOM 0 HB3 SER A 39 15.347 23.408 4.760 1.00 65.11 H new ATOM 0 HG SER A 39 16.748 22.940 2.971 1.00 2.41 H new ATOM 577 N ASP A 40 13.149 23.786 1.330 1.00 51.44 N ATOM 578 CA ASP A 40 12.931 23.964 -0.101 1.00 74.44 C ATOM 579 C ASP A 40 11.828 24.985 -0.360 1.00 51.44 C ATOM 580 O ASP A 40 11.626 25.422 -1.493 1.00 1.45 O ATOM 581 CB ASP A 40 12.569 22.628 -0.753 1.00 33.01 C ATOM 582 CG ASP A 40 13.612 22.170 -1.753 1.00 1.01 C ATOM 583 OD1 ASP A 40 13.547 22.609 -2.920 1.00 65.20 O ATOM 584 OD2 ASP A 40 14.493 21.372 -1.368 1.00 51.25 O ATOM 0 H ASP A 40 12.841 22.885 1.695 1.00 51.44 H new ATOM 0 HA ASP A 40 13.856 24.336 -0.541 1.00 74.44 H new ATOM 0 HB2 ASP A 40 12.454 21.869 0.021 1.00 33.01 H new ATOM 0 HB3 ASP A 40 11.606 22.721 -1.254 1.00 33.01 H new ATOM 589 N GLY A 41 11.116 25.361 0.698 1.00 52.53 N ATOM 590 CA GLY A 41 10.042 26.328 0.563 1.00 34.15 C ATOM 591 C GLY A 41 8.678 25.671 0.485 1.00 54.31 C ATOM 592 O GLY A 41 7.857 26.026 -0.362 1.00 73.20 O ATOM 0 H GLY A 41 11.264 25.014 1.646 1.00 52.53 H new ATOM 0 HA2 GLY A 41 10.064 27.012 1.411 1.00 34.15 H new ATOM 0 HA3 GLY A 41 10.206 26.926 -0.334 1.00 34.15 H new ATOM 596 N THR A 42 8.434 24.709 1.369 1.00 14.23 N ATOM 597 CA THR A 42 7.161 23.999 1.395 1.00 41.30 C ATOM 598 C THR A 42 6.577 23.968 2.803 1.00 40.33 C ATOM 599 O THR A 42 7.246 24.326 3.772 1.00 25.01 O ATOM 600 CB THR A 42 7.313 22.555 0.883 1.00 63.43 C ATOM 601 OG1 THR A 42 8.555 22.411 0.185 1.00 62.34 O ATOM 602 CG2 THR A 42 6.162 22.183 -0.039 1.00 55.21 C ATOM 0 H THR A 42 9.102 24.403 2.077 1.00 14.23 H new ATOM 0 HA THR A 42 6.483 24.541 0.736 1.00 41.30 H new ATOM 0 HB THR A 42 7.300 21.885 1.743 1.00 63.43 H new ATOM 0 HG1 THR A 42 8.645 21.489 -0.136 1.00 62.34 H new ATOM 0 HG21 THR A 42 6.292 21.158 -0.388 1.00 55.21 H new ATOM 0 HG22 THR A 42 5.220 22.265 0.503 1.00 55.21 H new ATOM 0 HG23 THR A 42 6.148 22.858 -0.894 1.00 55.21 H new ATOM 610 N LYS A 43 5.324 23.538 2.909 1.00 25.11 N ATOM 611 CA LYS A 43 4.649 23.458 4.199 1.00 25.21 C ATOM 612 C LYS A 43 3.741 22.234 4.263 1.00 51.23 C ATOM 613 O LYS A 43 2.904 22.025 3.385 1.00 32.13 O ATOM 614 CB LYS A 43 3.832 24.727 4.450 1.00 72.13 C ATOM 615 CG LYS A 43 3.338 24.860 5.880 1.00 70.31 C ATOM 616 CD LYS A 43 2.633 26.187 6.106 1.00 62.25 C ATOM 617 CE LYS A 43 2.157 26.328 7.543 1.00 23.22 C ATOM 618 NZ LYS A 43 0.691 26.101 7.667 1.00 72.51 N ATOM 0 H LYS A 43 4.755 23.239 2.117 1.00 25.11 H new ATOM 0 HA LYS A 43 5.410 23.365 4.974 1.00 25.21 H new ATOM 0 HB2 LYS A 43 4.442 25.596 4.203 1.00 72.13 H new ATOM 0 HB3 LYS A 43 2.975 24.737 3.776 1.00 72.13 H new ATOM 0 HG2 LYS A 43 2.656 24.041 6.108 1.00 70.31 H new ATOM 0 HG3 LYS A 43 4.180 24.773 6.566 1.00 70.31 H new ATOM 0 HD2 LYS A 43 3.311 27.006 5.864 1.00 62.25 H new ATOM 0 HD3 LYS A 43 1.782 26.268 5.430 1.00 62.25 H new ATOM 0 HE2 LYS A 43 2.689 25.616 8.173 1.00 23.22 H new ATOM 0 HE3 LYS A 43 2.402 27.324 7.911 1.00 23.22 H new ATOM 0 HZ1 LYS A 43 0.406 26.206 8.662 1.00 72.51 H new ATOM 0 HZ2 LYS A 43 0.182 26.797 7.086 1.00 72.51 H new ATOM 0 HZ3 LYS A 43 0.459 25.141 7.340 1.00 72.51 H new ATOM 632 N ALA A 44 3.911 21.430 5.307 1.00 42.00 N ATOM 633 CA ALA A 44 3.104 20.230 5.486 1.00 20.44 C ATOM 634 C ALA A 44 2.901 19.920 6.966 1.00 44.32 C ATOM 635 O ALA A 44 3.837 20.004 7.761 1.00 3.52 O ATOM 636 CB ALA A 44 3.753 19.047 4.782 1.00 12.30 C ATOM 0 H ALA A 44 4.601 21.588 6.042 1.00 42.00 H new ATOM 0 HA ALA A 44 2.125 20.411 5.042 1.00 20.44 H new ATOM 0 HB1 ALA A 44 3.139 18.158 4.924 1.00 12.30 H new ATOM 0 HB2 ALA A 44 3.841 19.261 3.717 1.00 12.30 H new ATOM 0 HB3 ALA A 44 4.745 18.874 5.200 1.00 12.30 H new ATOM 642 N ASP A 45 1.674 19.563 7.328 1.00 42.11 N ATOM 643 CA ASP A 45 1.349 19.241 8.712 1.00 30.15 C ATOM 644 C ASP A 45 1.623 17.769 9.007 1.00 44.42 C ATOM 645 O ASP A 45 0.827 16.896 8.658 1.00 4.50 O ATOM 646 CB ASP A 45 -0.117 19.567 9.004 1.00 44.43 C ATOM 647 CG ASP A 45 -1.033 19.192 7.856 1.00 63.53 C ATOM 648 OD1 ASP A 45 -0.698 18.243 7.116 1.00 22.11 O ATOM 649 OD2 ASP A 45 -2.084 19.847 7.696 1.00 31.42 O ATOM 0 H ASP A 45 0.888 19.489 6.682 1.00 42.11 H new ATOM 0 HA ASP A 45 1.984 19.847 9.358 1.00 30.15 H new ATOM 0 HB2 ASP A 45 -0.432 19.038 9.904 1.00 44.43 H new ATOM 0 HB3 ASP A 45 -0.215 20.633 9.210 1.00 44.43 H new ATOM 654 N LEU A 46 2.755 17.501 9.649 1.00 14.04 N ATOM 655 CA LEU A 46 3.135 16.135 9.990 1.00 23.42 C ATOM 656 C LEU A 46 3.420 16.005 11.483 1.00 64.10 C ATOM 657 O LEU A 46 4.259 16.721 12.031 1.00 11.31 O ATOM 658 CB LEU A 46 4.366 15.711 9.186 1.00 54.33 C ATOM 659 CG LEU A 46 4.114 14.728 8.042 1.00 51.32 C ATOM 660 CD1 LEU A 46 3.763 13.353 8.587 1.00 20.24 C ATOM 661 CD2 LEU A 46 3.007 15.241 7.132 1.00 45.25 C ATOM 0 H LEU A 46 3.425 18.211 9.944 1.00 14.04 H new ATOM 0 HA LEU A 46 2.301 15.479 9.740 1.00 23.42 H new ATOM 0 HB2 LEU A 46 4.832 16.606 8.774 1.00 54.33 H new ATOM 0 HB3 LEU A 46 5.086 15.264 9.871 1.00 54.33 H new ATOM 0 HG LEU A 46 5.029 14.641 7.456 1.00 51.32 H new ATOM 0 HD11 LEU A 46 3.587 12.667 7.758 1.00 20.24 H new ATOM 0 HD12 LEU A 46 4.587 12.982 9.196 1.00 20.24 H new ATOM 0 HD13 LEU A 46 2.863 13.423 9.198 1.00 20.24 H new ATOM 0 HD21 LEU A 46 2.841 14.529 6.324 1.00 45.25 H new ATOM 0 HD22 LEU A 46 2.088 15.358 7.707 1.00 45.25 H new ATOM 0 HD23 LEU A 46 3.298 16.204 6.713 1.00 45.25 H new ATOM 673 N THR A 47 2.719 15.084 12.137 1.00 54.24 N ATOM 674 CA THR A 47 2.897 14.859 13.566 1.00 54.35 C ATOM 675 C THR A 47 3.733 13.611 13.826 1.00 55.43 C ATOM 676 O THR A 47 4.259 13.423 14.922 1.00 20.13 O ATOM 677 CB THR A 47 1.542 14.715 14.285 1.00 40.14 C ATOM 678 OG1 THR A 47 0.732 13.745 13.613 1.00 75.44 O ATOM 679 CG2 THR A 47 0.811 16.048 14.333 1.00 14.11 C ATOM 0 H THR A 47 2.022 14.481 11.699 1.00 54.24 H new ATOM 0 HA THR A 47 3.418 15.731 13.961 1.00 54.35 H new ATOM 0 HB THR A 47 1.731 14.385 15.307 1.00 40.14 H new ATOM 0 HG1 THR A 47 0.141 13.307 14.261 1.00 75.44 H new ATOM 0 HG21 THR A 47 -0.143 15.922 14.845 1.00 14.11 H new ATOM 0 HG22 THR A 47 1.418 16.777 14.871 1.00 14.11 H new ATOM 0 HG23 THR A 47 0.633 16.402 13.318 1.00 14.11 H new ATOM 687 N SER A 48 3.851 12.762 12.810 1.00 21.24 N ATOM 688 CA SER A 48 4.621 11.529 12.931 1.00 42.41 C ATOM 689 C SER A 48 6.117 11.811 12.827 1.00 50.24 C ATOM 690 O SER A 48 6.940 11.054 13.342 1.00 52.23 O ATOM 691 CB SER A 48 4.202 10.533 11.848 1.00 13.13 C ATOM 692 OG SER A 48 2.855 10.740 11.459 1.00 42.45 O ATOM 0 H SER A 48 3.424 12.905 11.895 1.00 21.24 H new ATOM 0 HA SER A 48 4.417 11.097 13.911 1.00 42.41 H new ATOM 0 HB2 SER A 48 4.854 10.638 10.981 1.00 13.13 H new ATOM 0 HB3 SER A 48 4.325 9.515 12.218 1.00 13.13 H new ATOM 0 HG SER A 48 2.612 10.092 10.765 1.00 42.45 H new ATOM 698 N SER A 49 6.461 12.906 12.156 1.00 22.01 N ATOM 699 CA SER A 49 7.858 13.287 11.980 1.00 53.10 C ATOM 700 C SER A 49 8.405 13.943 13.244 1.00 63.10 C ATOM 701 O SER A 49 9.520 13.650 13.677 1.00 71.44 O ATOM 702 CB SER A 49 8.002 14.242 10.793 1.00 21.50 C ATOM 703 OG SER A 49 9.276 14.111 10.186 1.00 53.03 O ATOM 0 H SER A 49 5.792 13.545 11.726 1.00 22.01 H new ATOM 0 HA SER A 49 8.434 12.383 11.782 1.00 53.10 H new ATOM 0 HB2 SER A 49 7.223 14.035 10.059 1.00 21.50 H new ATOM 0 HB3 SER A 49 7.859 15.269 11.129 1.00 21.50 H new ATOM 0 HG SER A 49 9.507 14.945 9.727 1.00 53.03 H new ATOM 709 N VAL A 50 7.613 14.833 13.832 1.00 14.32 N ATOM 710 CA VAL A 50 8.016 15.531 15.047 1.00 11.02 C ATOM 711 C VAL A 50 8.263 14.550 16.188 1.00 53.20 C ATOM 712 O VAL A 50 7.621 13.502 16.271 1.00 0.42 O ATOM 713 CB VAL A 50 6.952 16.555 15.486 1.00 60.30 C ATOM 714 CG1 VAL A 50 5.638 15.857 15.802 1.00 11.11 C ATOM 715 CG2 VAL A 50 7.443 17.353 16.684 1.00 23.33 C ATOM 0 H VAL A 50 6.688 15.088 13.487 1.00 14.32 H new ATOM 0 HA VAL A 50 8.942 16.057 14.817 1.00 11.02 H new ATOM 0 HB VAL A 50 6.779 17.249 14.663 1.00 60.30 H new ATOM 0 HG11 VAL A 50 4.898 16.596 16.110 1.00 11.11 H new ATOM 0 HG12 VAL A 50 5.281 15.335 14.914 1.00 11.11 H new ATOM 0 HG13 VAL A 50 5.792 15.140 16.608 1.00 11.11 H new ATOM 0 HG21 VAL A 50 6.679 18.071 16.981 1.00 23.33 H new ATOM 0 HG22 VAL A 50 7.646 16.676 17.514 1.00 23.33 H new ATOM 0 HG23 VAL A 50 8.357 17.884 16.418 1.00 23.33 H new ATOM 725 N THR A 51 9.197 14.897 17.068 1.00 64.14 N ATOM 726 CA THR A 51 9.530 14.047 18.204 1.00 42.30 C ATOM 727 C THR A 51 8.747 14.458 19.446 1.00 44.53 C ATOM 728 O THR A 51 8.607 15.646 19.737 1.00 3.24 O ATOM 729 CB THR A 51 11.037 14.098 18.521 1.00 72.52 C ATOM 730 OG1 THR A 51 11.778 14.388 17.331 1.00 62.13 O ATOM 731 CG2 THR A 51 11.510 12.777 19.110 1.00 42.31 C ATOM 0 H THR A 51 9.736 15.761 17.016 1.00 64.14 H new ATOM 0 HA THR A 51 9.259 13.028 17.927 1.00 42.30 H new ATOM 0 HB THR A 51 11.206 14.886 19.254 1.00 72.52 H new ATOM 0 HG1 THR A 51 11.682 15.338 17.109 1.00 62.13 H new ATOM 0 HG21 THR A 51 12.577 12.836 19.326 1.00 42.31 H new ATOM 0 HG22 THR A 51 10.964 12.573 20.031 1.00 42.31 H new ATOM 0 HG23 THR A 51 11.328 11.974 18.395 1.00 42.31 H new ATOM 739 N TRP A 52 8.240 13.470 20.173 1.00 1.24 N ATOM 740 CA TRP A 52 7.471 13.730 21.385 1.00 3.33 C ATOM 741 C TRP A 52 8.202 13.205 22.616 1.00 13.34 C ATOM 742 O TRP A 52 8.531 12.022 22.696 1.00 4.02 O ATOM 743 CB TRP A 52 6.088 13.086 21.284 1.00 32.04 C ATOM 744 CG TRP A 52 5.201 13.740 20.269 1.00 55.11 C ATOM 745 CD1 TRP A 52 5.310 13.656 18.910 1.00 14.51 C ATOM 746 CD2 TRP A 52 4.070 14.579 20.532 1.00 65.12 C ATOM 747 NE1 TRP A 52 4.315 14.393 18.312 1.00 24.05 N ATOM 748 CE2 TRP A 52 3.541 14.968 19.286 1.00 65.15 C ATOM 749 CE3 TRP A 52 3.453 15.038 21.698 1.00 33.43 C ATOM 750 CZ2 TRP A 52 2.426 15.794 19.176 1.00 61.02 C ATOM 751 CZ3 TRP A 52 2.346 15.858 21.588 1.00 60.33 C ATOM 752 CH2 TRP A 52 1.841 16.228 20.334 1.00 3.42 C ATOM 0 H TRP A 52 8.347 12.482 19.945 1.00 1.24 H new ATOM 0 HA TRP A 52 7.354 14.809 21.487 1.00 3.33 H new ATOM 0 HB2 TRP A 52 6.203 12.032 21.030 1.00 32.04 H new ATOM 0 HB3 TRP A 52 5.604 13.127 22.260 1.00 32.04 H new ATOM 0 HD1 TRP A 52 6.066 13.094 18.383 1.00 14.51 H new ATOM 0 HE1 TRP A 52 4.176 14.495 17.307 1.00 24.05 H new ATOM 0 HE3 TRP A 52 3.834 14.757 22.669 1.00 33.43 H new ATOM 0 HZ2 TRP A 52 2.037 16.082 18.211 1.00 61.02 H new ATOM 0 HZ3 TRP A 52 1.862 16.220 22.483 1.00 60.33 H new ATOM 0 HH2 TRP A 52 0.973 16.868 20.281 1.00 3.42 H new ATOM 763 N SER A 53 8.451 14.092 23.574 1.00 4.42 N ATOM 764 CA SER A 53 9.146 13.718 24.800 1.00 4.24 C ATOM 765 C SER A 53 8.485 14.359 26.017 1.00 44.32 C ATOM 766 O SER A 53 8.121 15.535 25.992 1.00 63.03 O ATOM 767 CB SER A 53 10.617 14.135 24.726 1.00 75.22 C ATOM 768 OG SER A 53 11.457 13.009 24.537 1.00 13.32 O ATOM 0 H SER A 53 8.182 15.075 23.525 1.00 4.42 H new ATOM 0 HA SER A 53 9.088 12.635 24.905 1.00 4.24 H new ATOM 0 HB2 SER A 53 10.758 14.839 23.906 1.00 75.22 H new ATOM 0 HB3 SER A 53 10.898 14.653 25.643 1.00 75.22 H new ATOM 0 HG SER A 53 12.391 13.302 24.491 1.00 13.32 H new ATOM 774 N SER A 54 8.334 13.577 27.081 1.00 54.32 N ATOM 775 CA SER A 54 7.713 14.066 28.307 1.00 41.25 C ATOM 776 C SER A 54 8.443 13.532 29.535 1.00 11.33 C ATOM 777 O SER A 54 9.018 12.444 29.505 1.00 11.33 O ATOM 778 CB SER A 54 6.240 13.656 28.356 1.00 10.30 C ATOM 779 OG SER A 54 5.870 13.239 29.659 1.00 42.31 O ATOM 0 H SER A 54 8.633 12.603 27.119 1.00 54.32 H new ATOM 0 HA SER A 54 7.780 15.154 28.311 1.00 41.25 H new ATOM 0 HB2 SER A 54 5.615 14.495 28.048 1.00 10.30 H new ATOM 0 HB3 SER A 54 6.060 12.848 27.647 1.00 10.30 H new ATOM 0 HG SER A 54 5.056 12.696 29.610 1.00 42.31 H new ATOM 785 N SER A 55 8.415 14.307 30.615 1.00 31.53 N ATOM 786 CA SER A 55 9.077 13.915 31.854 1.00 34.42 C ATOM 787 C SER A 55 8.654 12.510 32.275 1.00 11.42 C ATOM 788 O SER A 55 9.408 11.551 32.121 1.00 4.14 O ATOM 789 CB SER A 55 8.753 14.912 32.968 1.00 51.31 C ATOM 790 OG SER A 55 9.795 15.860 33.123 1.00 62.33 O ATOM 0 H SER A 55 7.941 15.209 30.657 1.00 31.53 H new ATOM 0 HA SER A 55 10.153 13.915 31.678 1.00 34.42 H new ATOM 0 HB2 SER A 55 7.820 15.427 32.739 1.00 51.31 H new ATOM 0 HB3 SER A 55 8.601 14.378 33.906 1.00 51.31 H new ATOM 0 HG SER A 55 9.563 16.487 33.840 1.00 62.33 H new ATOM 796 N ASN A 56 7.441 12.399 32.807 1.00 1.05 N ATOM 797 CA ASN A 56 6.917 11.113 33.252 1.00 74.22 C ATOM 798 C ASN A 56 6.790 10.143 32.081 1.00 41.02 C ATOM 799 O ASN A 56 6.050 10.396 31.131 1.00 72.02 O ATOM 800 CB ASN A 56 5.555 11.299 33.924 1.00 31.52 C ATOM 801 CG ASN A 56 4.693 12.322 33.211 1.00 74.24 C ATOM 802 OD1 ASN A 56 3.905 13.068 33.976 1.00 73.41 O flip ATOM 803 ND2 ASN A 56 4.735 12.440 31.986 1.00 52.20 N flip ATOM 0 H ASN A 56 6.803 13.184 32.940 1.00 1.05 H new ATOM 0 HA ASN A 56 7.617 10.694 33.974 1.00 74.22 H new ATOM 0 HB2 ASN A 56 5.032 10.343 33.950 1.00 31.52 H new ATOM 0 HB3 ASN A 56 5.703 11.610 34.958 1.00 31.52 H new ATOM 0 HD21 ASN A 56 5.356 11.845 31.437 1.00 52.20 H new ATOM 0 HD22 ASN A 56 4.149 13.133 31.520 1.00 52.20 H new ATOM 810 N GLN A 57 7.517 9.033 32.157 1.00 2.15 N ATOM 811 CA GLN A 57 7.486 8.026 31.104 1.00 70.32 C ATOM 812 C GLN A 57 6.153 7.285 31.098 1.00 54.43 C ATOM 813 O GLN A 57 5.823 6.589 30.138 1.00 35.10 O ATOM 814 CB GLN A 57 8.634 7.031 31.286 1.00 41.44 C ATOM 815 CG GLN A 57 9.693 7.119 30.198 1.00 11.23 C ATOM 816 CD GLN A 57 9.271 6.429 28.916 1.00 24.32 C ATOM 817 OE1 GLN A 57 8.718 5.329 28.943 1.00 52.23 O ATOM 818 NE2 GLN A 57 9.532 7.072 27.784 1.00 73.10 N ATOM 0 H GLN A 57 8.135 8.809 32.937 1.00 2.15 H new ATOM 0 HA GLN A 57 7.603 8.535 30.147 1.00 70.32 H new ATOM 0 HB2 GLN A 57 9.104 7.204 32.254 1.00 41.44 H new ATOM 0 HB3 GLN A 57 8.228 6.020 31.305 1.00 41.44 H new ATOM 0 HG2 GLN A 57 9.907 8.167 29.989 1.00 11.23 H new ATOM 0 HG3 GLN A 57 10.618 6.671 30.560 1.00 11.23 H new ATOM 0 HE21 GLN A 57 9.992 7.982 27.809 1.00 73.10 H new ATOM 0 HE22 GLN A 57 9.272 6.656 26.890 1.00 73.10 H new ATOM 827 N SER A 58 5.390 7.441 32.175 1.00 22.34 N ATOM 828 CA SER A 58 4.094 6.783 32.296 1.00 1.41 C ATOM 829 C SER A 58 3.027 7.539 31.511 1.00 54.14 C ATOM 830 O SER A 58 2.190 6.934 30.841 1.00 41.22 O ATOM 831 CB SER A 58 3.685 6.682 33.767 1.00 61.22 C ATOM 832 OG SER A 58 4.400 5.650 34.425 1.00 40.32 O ATOM 0 H SER A 58 5.647 8.017 32.976 1.00 22.34 H new ATOM 0 HA SER A 58 4.183 5.779 31.881 1.00 1.41 H new ATOM 0 HB2 SER A 58 3.871 7.633 34.266 1.00 61.22 H new ATOM 0 HB3 SER A 58 2.614 6.489 33.838 1.00 61.22 H new ATOM 0 HG SER A 58 4.122 5.607 35.364 1.00 40.32 H new ATOM 838 N GLN A 59 3.063 8.865 31.599 1.00 22.21 N ATOM 839 CA GLN A 59 2.099 9.704 30.898 1.00 72.45 C ATOM 840 C GLN A 59 2.638 10.132 29.537 1.00 71.55 C ATOM 841 O GLN A 59 1.896 10.639 28.696 1.00 2.41 O ATOM 842 CB GLN A 59 1.759 10.937 31.736 1.00 43.43 C ATOM 843 CG GLN A 59 0.951 10.621 32.984 1.00 42.41 C ATOM 844 CD GLN A 59 1.754 9.863 34.022 1.00 32.52 C ATOM 845 OE1 GLN A 59 1.600 8.651 34.179 1.00 73.11 O ATOM 846 NE2 GLN A 59 2.617 10.573 34.739 1.00 63.24 N ATOM 0 H GLN A 59 3.750 9.381 32.149 1.00 22.21 H new ATOM 0 HA GLN A 59 1.193 9.119 30.742 1.00 72.45 H new ATOM 0 HB2 GLN A 59 2.684 11.434 32.028 1.00 43.43 H new ATOM 0 HB3 GLN A 59 1.200 11.642 31.120 1.00 43.43 H new ATOM 0 HG2 GLN A 59 0.585 11.550 33.421 1.00 42.41 H new ATOM 0 HG3 GLN A 59 0.076 10.033 32.707 1.00 42.41 H new ATOM 0 HE21 GLN A 59 2.713 11.575 34.576 1.00 63.24 H new ATOM 0 HE22 GLN A 59 3.184 10.116 35.453 1.00 63.24 H new ATOM 855 N ALA A 60 3.934 9.923 29.327 1.00 55.03 N ATOM 856 CA ALA A 60 4.571 10.286 28.067 1.00 24.32 C ATOM 857 C ALA A 60 4.165 9.330 26.951 1.00 71.22 C ATOM 858 O ALA A 60 4.954 8.487 26.523 1.00 74.30 O ATOM 859 CB ALA A 60 6.084 10.301 28.227 1.00 24.40 C ATOM 0 H ALA A 60 4.563 9.505 30.013 1.00 55.03 H new ATOM 0 HA ALA A 60 4.235 11.286 27.793 1.00 24.32 H new ATOM 0 HB1 ALA A 60 6.547 10.574 27.279 1.00 24.40 H new ATOM 0 HB2 ALA A 60 6.362 11.029 28.989 1.00 24.40 H new ATOM 0 HB3 ALA A 60 6.428 9.311 28.528 1.00 24.40 H new ATOM 865 N LYS A 61 2.929 9.466 26.483 1.00 71.14 N ATOM 866 CA LYS A 61 2.417 8.615 25.415 1.00 14.11 C ATOM 867 C LYS A 61 1.798 9.453 24.301 1.00 44.34 C ATOM 868 O LYS A 61 1.105 10.437 24.561 1.00 30.53 O ATOM 869 CB LYS A 61 1.378 7.637 25.968 1.00 15.34 C ATOM 870 CG LYS A 61 1.473 6.245 25.370 1.00 64.33 C ATOM 871 CD LYS A 61 2.131 5.268 26.331 1.00 55.41 C ATOM 872 CE LYS A 61 2.950 4.223 25.590 1.00 44.31 C ATOM 873 NZ LYS A 61 2.571 2.838 25.984 1.00 14.44 N ATOM 0 H LYS A 61 2.263 10.158 26.827 1.00 71.14 H new ATOM 0 HA LYS A 61 3.253 8.052 25.001 1.00 14.11 H new ATOM 0 HB2 LYS A 61 1.497 7.567 27.049 1.00 15.34 H new ATOM 0 HB3 LYS A 61 0.381 8.036 25.782 1.00 15.34 H new ATOM 0 HG2 LYS A 61 0.475 5.889 25.115 1.00 64.33 H new ATOM 0 HG3 LYS A 61 2.044 6.285 24.443 1.00 64.33 H new ATOM 0 HD2 LYS A 61 2.774 5.813 27.022 1.00 55.41 H new ATOM 0 HD3 LYS A 61 1.366 4.774 26.930 1.00 55.41 H new ATOM 0 HE2 LYS A 61 2.809 4.346 24.516 1.00 44.31 H new ATOM 0 HE3 LYS A 61 4.009 4.381 25.793 1.00 44.31 H new ATOM 0 HZ1 LYS A 61 3.152 2.156 25.457 1.00 14.44 H new ATOM 0 HZ2 LYS A 61 2.729 2.712 27.004 1.00 14.44 H new ATOM 0 HZ3 LYS A 61 1.567 2.678 25.767 1.00 14.44 H new ATOM 887 N VAL A 62 2.053 9.057 23.058 1.00 41.15 N ATOM 888 CA VAL A 62 1.519 9.770 21.903 1.00 4.43 C ATOM 889 C VAL A 62 1.117 8.802 20.797 1.00 44.15 C ATOM 890 O VAL A 62 1.715 7.737 20.642 1.00 1.10 O ATOM 891 CB VAL A 62 2.542 10.777 21.343 1.00 21.14 C ATOM 892 CG1 VAL A 62 2.648 11.992 22.252 1.00 53.32 C ATOM 893 CG2 VAL A 62 3.900 10.114 21.166 1.00 34.35 C ATOM 0 H VAL A 62 2.626 8.246 22.825 1.00 41.15 H new ATOM 0 HA VAL A 62 0.637 10.312 22.245 1.00 4.43 H new ATOM 0 HB VAL A 62 2.197 11.113 20.365 1.00 21.14 H new ATOM 0 HG11 VAL A 62 3.375 12.692 21.840 1.00 53.32 H new ATOM 0 HG12 VAL A 62 1.675 12.479 22.323 1.00 53.32 H new ATOM 0 HG13 VAL A 62 2.970 11.677 23.245 1.00 53.32 H new ATOM 0 HG21 VAL A 62 4.610 10.840 20.770 1.00 34.35 H new ATOM 0 HG22 VAL A 62 4.255 9.748 22.130 1.00 34.35 H new ATOM 0 HG23 VAL A 62 3.809 9.279 20.472 1.00 34.35 H new ATOM 903 N SER A 63 0.101 9.179 20.028 1.00 52.51 N ATOM 904 CA SER A 63 -0.384 8.343 18.936 1.00 20.14 C ATOM 905 C SER A 63 -0.177 9.032 17.591 1.00 62.52 C ATOM 906 O SER A 63 -1.093 9.110 16.774 1.00 13.31 O ATOM 907 CB SER A 63 -1.866 8.019 19.133 1.00 31.15 C ATOM 908 OG SER A 63 -2.197 6.771 18.550 1.00 32.53 O ATOM 0 H SER A 63 -0.403 10.059 20.141 1.00 52.51 H new ATOM 0 HA SER A 63 0.187 7.415 18.941 1.00 20.14 H new ATOM 0 HB2 SER A 63 -2.099 8.000 20.198 1.00 31.15 H new ATOM 0 HB3 SER A 63 -2.476 8.805 18.688 1.00 31.15 H new ATOM 0 HG SER A 63 -3.149 6.586 18.691 1.00 32.53 H new ATOM 914 N ASN A 64 1.035 9.529 17.368 1.00 24.03 N ATOM 915 CA ASN A 64 1.364 10.212 16.122 1.00 24.04 C ATOM 916 C ASN A 64 1.808 9.215 15.056 1.00 3.02 C ATOM 917 O ASN A 64 2.843 8.564 15.194 1.00 63.34 O ATOM 918 CB ASN A 64 2.466 11.247 16.359 1.00 23.33 C ATOM 919 CG ASN A 64 3.761 10.615 16.833 1.00 33.42 C ATOM 920 OD1 ASN A 64 4.624 10.263 16.029 1.00 73.03 O ATOM 921 ND2 ASN A 64 3.901 10.467 18.145 1.00 3.35 N ATOM 0 H ASN A 64 1.806 9.472 18.034 1.00 24.03 H new ATOM 0 HA ASN A 64 0.467 10.720 15.768 1.00 24.04 H new ATOM 0 HB2 ASN A 64 2.650 11.796 15.435 1.00 23.33 H new ATOM 0 HB3 ASN A 64 2.127 11.972 17.099 1.00 23.33 H new ATOM 0 HD21 ASN A 64 4.750 10.047 18.523 1.00 3.35 H new ATOM 0 HD22 ASN A 64 3.159 10.773 18.775 1.00 3.35 H new ATOM 928 N ALA A 65 1.018 9.102 13.994 1.00 50.33 N ATOM 929 CA ALA A 65 1.330 8.187 12.903 1.00 44.31 C ATOM 930 C ALA A 65 0.284 8.273 11.797 1.00 14.15 C ATOM 931 O ALA A 65 0.602 8.138 10.616 1.00 10.41 O ATOM 932 CB ALA A 65 1.435 6.762 13.424 1.00 63.53 C ATOM 0 H ALA A 65 0.157 9.633 13.866 1.00 50.33 H new ATOM 0 HA ALA A 65 2.291 8.479 12.480 1.00 44.31 H new ATOM 0 HB1 ALA A 65 1.668 6.089 12.599 1.00 63.53 H new ATOM 0 HB2 ALA A 65 2.225 6.706 14.173 1.00 63.53 H new ATOM 0 HB3 ALA A 65 0.487 6.468 13.874 1.00 63.53 H new ATOM 938 N SER A 66 -0.967 8.497 12.189 1.00 43.31 N ATOM 939 CA SER A 66 -2.062 8.596 11.231 1.00 44.51 C ATOM 940 C SER A 66 -1.797 9.705 10.217 1.00 53.32 C ATOM 941 O SER A 66 -1.936 9.503 9.011 1.00 53.40 O ATOM 942 CB SER A 66 -3.382 8.859 11.958 1.00 4.12 C ATOM 943 OG SER A 66 -4.482 8.373 11.209 1.00 11.41 O ATOM 0 H SER A 66 -1.247 8.613 13.163 1.00 43.31 H new ATOM 0 HA SER A 66 -2.132 7.648 10.697 1.00 44.51 H new ATOM 0 HB2 SER A 66 -3.364 8.379 12.936 1.00 4.12 H new ATOM 0 HB3 SER A 66 -3.499 9.929 12.130 1.00 4.12 H new ATOM 0 HG SER A 66 -5.314 8.552 11.696 1.00 11.41 H new ATOM 949 N GLU A 67 -1.416 10.877 10.716 1.00 25.31 N ATOM 950 CA GLU A 67 -1.133 12.018 9.854 1.00 44.11 C ATOM 951 C GLU A 67 -0.750 13.242 10.680 1.00 3.53 C ATOM 952 O GLU A 67 0.422 13.614 10.755 1.00 10.42 O ATOM 953 CB GLU A 67 -2.347 12.339 8.980 1.00 62.43 C ATOM 954 CG GLU A 67 -2.157 11.974 7.517 1.00 42.21 C ATOM 955 CD GLU A 67 -1.749 13.163 6.668 1.00 73.42 C ATOM 956 OE1 GLU A 67 -0.706 13.778 6.972 1.00 12.51 O ATOM 957 OE2 GLU A 67 -2.473 13.477 5.700 1.00 42.00 O ATOM 0 H GLU A 67 -1.296 11.061 11.712 1.00 25.31 H new ATOM 0 HA GLU A 67 -0.292 11.756 9.213 1.00 44.11 H new ATOM 0 HB2 GLU A 67 -3.215 11.807 9.369 1.00 62.43 H new ATOM 0 HB3 GLU A 67 -2.566 13.404 9.055 1.00 62.43 H new ATOM 0 HG2 GLU A 67 -1.397 11.196 7.436 1.00 42.21 H new ATOM 0 HG3 GLU A 67 -3.085 11.555 7.127 1.00 42.21 H new ATOM 964 N THR A 68 -1.747 13.867 11.300 1.00 62.42 N ATOM 965 CA THR A 68 -1.516 15.050 12.119 1.00 34.52 C ATOM 966 C THR A 68 -2.175 14.908 13.487 1.00 63.12 C ATOM 967 O THR A 68 -2.512 15.901 14.131 1.00 2.33 O ATOM 968 CB THR A 68 -2.052 16.321 11.434 1.00 62.24 C ATOM 969 OG1 THR A 68 -3.475 16.393 11.578 1.00 64.02 O ATOM 970 CG2 THR A 68 -1.685 16.335 9.957 1.00 32.43 C ATOM 0 H THR A 68 -2.722 13.573 11.250 1.00 62.42 H new ATOM 0 HA THR A 68 -0.437 15.142 12.245 1.00 34.52 H new ATOM 0 HB THR A 68 -1.595 17.186 11.914 1.00 62.24 H new ATOM 0 HG1 THR A 68 -3.807 17.205 11.141 1.00 64.02 H new ATOM 0 HG21 THR A 68 -2.074 17.242 9.494 1.00 32.43 H new ATOM 0 HG22 THR A 68 -0.600 16.310 9.851 1.00 32.43 H new ATOM 0 HG23 THR A 68 -2.117 15.463 9.466 1.00 32.43 H new ATOM 978 N LYS A 69 -2.355 13.667 13.926 1.00 71.23 N ATOM 979 CA LYS A 69 -2.972 13.394 15.219 1.00 65.15 C ATOM 980 C LYS A 69 -2.291 14.193 16.325 1.00 11.23 C ATOM 981 O LYS A 69 -2.735 15.285 16.678 1.00 5.10 O ATOM 982 CB LYS A 69 -2.898 11.899 15.536 1.00 34.40 C ATOM 983 CG LYS A 69 -3.921 11.066 14.783 1.00 55.12 C ATOM 984 CD LYS A 69 -5.322 11.272 15.334 1.00 35.40 C ATOM 985 CE LYS A 69 -6.180 10.028 15.156 1.00 65.33 C ATOM 986 NZ LYS A 69 -7.595 10.369 14.843 1.00 1.53 N ATOM 0 H LYS A 69 -2.082 12.834 13.405 1.00 71.23 H new ATOM 0 HA LYS A 69 -4.018 13.697 15.167 1.00 65.15 H new ATOM 0 HB2 LYS A 69 -1.899 11.535 15.298 1.00 34.40 H new ATOM 0 HB3 LYS A 69 -3.042 11.756 16.607 1.00 34.40 H new ATOM 0 HG2 LYS A 69 -3.902 11.333 13.726 1.00 55.12 H new ATOM 0 HG3 LYS A 69 -3.654 10.011 14.851 1.00 55.12 H new ATOM 0 HD2 LYS A 69 -5.264 11.527 16.392 1.00 35.40 H new ATOM 0 HD3 LYS A 69 -5.793 12.115 14.828 1.00 35.40 H new ATOM 0 HE2 LYS A 69 -5.769 9.415 14.354 1.00 65.33 H new ATOM 0 HE3 LYS A 69 -6.144 9.429 16.066 1.00 65.33 H new ATOM 0 HZ1 LYS A 69 -8.146 9.494 14.729 1.00 1.53 H new ATOM 0 HZ2 LYS A 69 -7.996 10.932 15.620 1.00 1.53 H new ATOM 0 HZ3 LYS A 69 -7.633 10.919 13.961 1.00 1.53 H new ATOM 1000 N GLY A 70 -1.210 13.642 16.869 1.00 71.33 N ATOM 1001 CA GLY A 70 -0.485 14.318 17.929 1.00 55.03 C ATOM 1002 C GLY A 70 -1.097 14.077 19.294 1.00 15.44 C ATOM 1003 O GLY A 70 -0.544 14.493 20.313 1.00 23.32 O ATOM 0 H GLY A 70 -0.823 12.739 16.594 1.00 71.33 H new ATOM 0 HA2 GLY A 70 0.550 13.976 17.933 1.00 55.03 H new ATOM 0 HA3 GLY A 70 -0.466 15.389 17.727 1.00 55.03 H new ATOM 1007 N LEU A 71 -2.244 13.406 19.317 1.00 2.42 N ATOM 1008 CA LEU A 71 -2.933 13.112 20.569 1.00 53.23 C ATOM 1009 C LEU A 71 -1.971 12.521 21.595 1.00 54.44 C ATOM 1010 O LEU A 71 -1.229 11.585 21.298 1.00 10.11 O ATOM 1011 CB LEU A 71 -4.091 12.143 20.321 1.00 44.24 C ATOM 1012 CG LEU A 71 -3.703 10.739 19.856 1.00 45.13 C ATOM 1013 CD1 LEU A 71 -3.806 9.749 21.005 1.00 72.40 C ATOM 1014 CD2 LEU A 71 -4.579 10.302 18.691 1.00 31.43 C ATOM 0 H LEU A 71 -2.716 13.056 18.483 1.00 2.42 H new ATOM 0 HA LEU A 71 -3.328 14.047 20.966 1.00 53.23 H new ATOM 0 HB2 LEU A 71 -4.667 12.053 21.242 1.00 44.24 H new ATOM 0 HB3 LEU A 71 -4.752 12.582 19.574 1.00 44.24 H new ATOM 0 HG LEU A 71 -2.668 10.762 19.516 1.00 45.13 H new ATOM 0 HD11 LEU A 71 -3.526 8.755 20.655 1.00 72.40 H new ATOM 0 HD12 LEU A 71 -3.135 10.053 21.809 1.00 72.40 H new ATOM 0 HD13 LEU A 71 -4.831 9.728 21.376 1.00 72.40 H new ATOM 0 HD21 LEU A 71 -4.289 9.301 18.373 1.00 31.43 H new ATOM 0 HD22 LEU A 71 -5.623 10.295 19.004 1.00 31.43 H new ATOM 0 HD23 LEU A 71 -4.453 10.997 17.861 1.00 31.43 H new ATOM 1026 N VAL A 72 -1.991 13.073 22.804 1.00 54.54 N ATOM 1027 CA VAL A 72 -1.124 12.599 23.875 1.00 4.30 C ATOM 1028 C VAL A 72 -1.938 12.014 25.024 1.00 41.54 C ATOM 1029 O VAL A 72 -2.698 12.723 25.685 1.00 74.44 O ATOM 1030 CB VAL A 72 -0.231 13.732 24.417 1.00 33.43 C ATOM 1031 CG1 VAL A 72 -1.043 15.002 24.616 1.00 11.54 C ATOM 1032 CG2 VAL A 72 0.437 13.307 25.716 1.00 0.12 C ATOM 0 H VAL A 72 -2.599 13.849 23.066 1.00 54.54 H new ATOM 0 HA VAL A 72 -0.492 11.820 23.449 1.00 4.30 H new ATOM 0 HB VAL A 72 0.549 13.939 23.685 1.00 33.43 H new ATOM 0 HG11 VAL A 72 -0.396 15.791 24.999 1.00 11.54 H new ATOM 0 HG12 VAL A 72 -1.470 15.314 23.663 1.00 11.54 H new ATOM 0 HG13 VAL A 72 -1.846 14.813 25.329 1.00 11.54 H new ATOM 0 HG21 VAL A 72 1.064 14.119 26.085 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -0.326 13.072 26.458 1.00 0.12 H new ATOM 0 HG23 VAL A 72 1.053 12.425 25.537 1.00 0.12 H new ATOM 1042 N THR A 73 -1.774 10.716 25.257 1.00 4.14 N ATOM 1043 CA THR A 73 -2.494 10.035 26.326 1.00 65.22 C ATOM 1044 C THR A 73 -1.609 9.848 27.553 1.00 43.10 C ATOM 1045 O THR A 73 -0.388 9.742 27.440 1.00 33.30 O ATOM 1046 CB THR A 73 -3.011 8.659 25.866 1.00 61.30 C ATOM 1047 OG1 THR A 73 -3.677 8.782 24.604 1.00 3.32 O ATOM 1048 CG2 THR A 73 -3.965 8.069 26.893 1.00 34.41 C ATOM 0 H THR A 73 -1.149 10.115 24.720 1.00 4.14 H new ATOM 0 HA THR A 73 -3.343 10.666 26.587 1.00 65.22 H new ATOM 0 HB THR A 73 -2.156 7.991 25.761 1.00 61.30 H new ATOM 0 HG1 THR A 73 -4.001 7.902 24.318 1.00 3.32 H new ATOM 0 HG21 THR A 73 -4.317 7.097 26.547 1.00 34.41 H new ATOM 0 HG22 THR A 73 -3.447 7.949 27.844 1.00 34.41 H new ATOM 0 HG23 THR A 73 -4.816 8.737 27.025 1.00 34.41 H new ATOM 1056 N GLY A 74 -2.233 9.809 28.727 1.00 63.45 N ATOM 1057 CA GLY A 74 -1.486 9.634 29.958 1.00 24.04 C ATOM 1058 C GLY A 74 -2.001 8.476 30.790 1.00 40.12 C ATOM 1059 O GLY A 74 -3.142 8.044 30.624 1.00 70.10 O ATOM 0 H GLY A 74 -3.242 9.896 28.847 1.00 63.45 H new ATOM 0 HA2 GLY A 74 -0.435 9.468 29.721 1.00 24.04 H new ATOM 0 HA3 GLY A 74 -1.539 10.551 30.545 1.00 24.04 H new ATOM 1063 N ILE A 75 -1.159 7.972 31.685 1.00 23.31 N ATOM 1064 CA ILE A 75 -1.536 6.856 32.545 1.00 41.54 C ATOM 1065 C ILE A 75 -1.908 7.341 33.942 1.00 63.30 C ATOM 1066 O ILE A 75 -2.911 6.913 34.512 1.00 60.33 O ATOM 1067 CB ILE A 75 -0.400 5.823 32.657 1.00 4.01 C ATOM 1068 CG1 ILE A 75 -0.099 5.212 31.287 1.00 70.01 C ATOM 1069 CG2 ILE A 75 -0.768 4.738 33.658 1.00 63.11 C ATOM 1070 CD1 ILE A 75 -1.238 4.386 30.731 1.00 64.30 C ATOM 0 H ILE A 75 -0.211 8.318 31.834 1.00 23.31 H new ATOM 0 HA ILE A 75 -2.403 6.381 32.085 1.00 41.54 H new ATOM 0 HB ILE A 75 0.498 6.329 33.013 1.00 4.01 H new ATOM 0 HG12 ILE A 75 0.136 6.012 30.585 1.00 70.01 H new ATOM 0 HG13 ILE A 75 0.790 4.585 31.365 1.00 70.01 H new ATOM 0 HG21 ILE A 75 0.045 4.015 33.726 1.00 63.11 H new ATOM 0 HG22 ILE A 75 -0.937 5.188 34.636 1.00 63.11 H new ATOM 0 HG23 ILE A 75 -1.676 4.233 33.329 1.00 63.11 H new ATOM 0 HD11 ILE A 75 -0.955 3.984 29.758 1.00 64.30 H new ATOM 0 HD12 ILE A 75 -1.458 3.565 31.413 1.00 64.30 H new ATOM 0 HD13 ILE A 75 -2.122 5.013 30.621 1.00 64.30 H new ATOM 1082 N ALA A 76 -1.093 8.237 34.488 1.00 43.41 N ATOM 1083 CA ALA A 76 -1.338 8.783 35.817 1.00 41.30 C ATOM 1084 C ALA A 76 -1.502 10.298 35.766 1.00 14.44 C ATOM 1085 O ALA A 76 -1.349 10.914 34.712 1.00 54.15 O ATOM 1086 CB ALA A 76 -0.206 8.405 36.760 1.00 24.42 C ATOM 0 H ALA A 76 -0.257 8.600 34.030 1.00 43.41 H new ATOM 0 HA ALA A 76 -2.267 8.355 36.193 1.00 41.30 H new ATOM 0 HB1 ALA A 76 -0.402 8.820 37.749 1.00 24.42 H new ATOM 0 HB2 ALA A 76 -0.137 7.319 36.829 1.00 24.42 H new ATOM 0 HB3 ALA A 76 0.734 8.805 36.379 1.00 24.42 H new ATOM 1092 N SER A 77 -1.816 10.894 36.913 1.00 62.32 N ATOM 1093 CA SER A 77 -2.006 12.337 36.998 1.00 63.02 C ATOM 1094 C SER A 77 -0.667 13.053 37.152 1.00 33.23 C ATOM 1095 O SER A 77 0.394 12.450 36.995 1.00 14.03 O ATOM 1096 CB SER A 77 -2.921 12.684 38.173 1.00 31.25 C ATOM 1097 OG SER A 77 -3.434 11.512 38.783 1.00 12.14 O ATOM 0 H SER A 77 -1.944 10.399 37.796 1.00 62.32 H new ATOM 0 HA SER A 77 -2.473 12.672 36.072 1.00 63.02 H new ATOM 0 HB2 SER A 77 -2.368 13.268 38.908 1.00 31.25 H new ATOM 0 HB3 SER A 77 -3.745 13.307 37.825 1.00 31.25 H new ATOM 0 HG SER A 77 -4.015 11.761 39.532 1.00 12.14 H new ATOM 1103 N GLY A 78 -0.726 14.345 37.461 1.00 33.34 N ATOM 1104 CA GLY A 78 0.487 15.123 37.632 1.00 32.21 C ATOM 1105 C GLY A 78 0.610 16.236 36.611 1.00 52.31 C ATOM 1106 O GLY A 78 -0.390 16.700 36.065 1.00 13.11 O ATOM 0 H GLY A 78 -1.592 14.867 37.596 1.00 33.34 H new ATOM 0 HA2 GLY A 78 0.503 15.550 38.635 1.00 32.21 H new ATOM 0 HA3 GLY A 78 1.352 14.464 37.553 1.00 32.21 H new ATOM 1110 N ASN A 79 1.840 16.668 36.353 1.00 23.53 N ATOM 1111 CA ASN A 79 2.090 17.736 35.392 1.00 23.33 C ATOM 1112 C ASN A 79 2.889 17.219 34.200 1.00 72.54 C ATOM 1113 O ASN A 79 4.066 17.534 34.025 1.00 10.21 O ATOM 1114 CB ASN A 79 2.842 18.888 36.063 1.00 71.53 C ATOM 1115 CG ASN A 79 2.034 19.540 37.168 1.00 74.23 C ATOM 1116 OD1 ASN A 79 2.437 19.538 38.331 1.00 41.42 O ATOM 1117 ND2 ASN A 79 0.885 20.101 36.808 1.00 43.41 N ATOM 0 H ASN A 79 2.679 16.295 36.796 1.00 23.53 H new ATOM 0 HA ASN A 79 1.128 18.100 35.032 1.00 23.33 H new ATOM 0 HB2 ASN A 79 3.780 18.515 36.474 1.00 71.53 H new ATOM 0 HB3 ASN A 79 3.098 19.637 35.313 1.00 71.53 H new ATOM 0 HD21 ASN A 79 0.297 20.554 37.508 1.00 43.41 H new ATOM 0 HD22 ASN A 79 0.590 20.079 35.832 1.00 43.41 H new ATOM 1124 N PRO A 80 2.235 16.405 33.358 1.00 73.33 N ATOM 1125 CA PRO A 80 2.864 15.827 32.166 1.00 15.21 C ATOM 1126 C PRO A 80 3.143 16.874 31.093 1.00 55.01 C ATOM 1127 O PRO A 80 2.296 17.146 30.241 1.00 40.41 O ATOM 1128 CB PRO A 80 1.825 14.817 31.671 1.00 41.50 C ATOM 1129 CG PRO A 80 0.524 15.328 32.187 1.00 42.21 C ATOM 1130 CD PRO A 80 0.830 15.986 33.504 1.00 65.01 C ATOM 0 HA PRO A 80 3.835 15.385 32.391 1.00 15.21 H new ATOM 0 HB2 PRO A 80 1.822 14.753 30.583 1.00 41.50 H new ATOM 0 HB3 PRO A 80 2.035 13.816 32.048 1.00 41.50 H new ATOM 0 HG2 PRO A 80 0.080 16.038 31.490 1.00 42.21 H new ATOM 0 HG3 PRO A 80 -0.192 14.516 32.314 1.00 42.21 H new ATOM 0 HD2 PRO A 80 0.174 16.837 33.690 1.00 65.01 H new ATOM 0 HD3 PRO A 80 0.701 15.296 34.338 1.00 65.01 H new ATOM 1138 N THR A 81 4.336 17.459 31.139 1.00 34.10 N ATOM 1139 CA THR A 81 4.726 18.476 30.171 1.00 11.33 C ATOM 1140 C THR A 81 5.073 17.850 28.825 1.00 4.55 C ATOM 1141 O THR A 81 5.923 16.963 28.744 1.00 4.21 O ATOM 1142 CB THR A 81 5.932 19.294 30.671 1.00 32.12 C ATOM 1143 OG1 THR A 81 6.058 19.163 32.092 1.00 72.45 O ATOM 1144 CG2 THR A 81 5.780 20.762 30.304 1.00 13.31 C ATOM 0 H THR A 81 5.049 17.246 31.837 1.00 34.10 H new ATOM 0 HA THR A 81 3.871 19.141 30.049 1.00 11.33 H new ATOM 0 HB THR A 81 6.830 18.907 30.190 1.00 32.12 H new ATOM 0 HG1 THR A 81 6.828 19.685 32.402 1.00 72.45 H new ATOM 0 HG21 THR A 81 6.643 21.319 30.668 1.00 13.31 H new ATOM 0 HG22 THR A 81 5.714 20.861 29.221 1.00 13.31 H new ATOM 0 HG23 THR A 81 4.873 21.159 30.761 1.00 13.31 H new ATOM 1152 N ILE A 82 4.412 18.318 27.772 1.00 10.23 N ATOM 1153 CA ILE A 82 4.653 17.805 26.430 1.00 63.24 C ATOM 1154 C ILE A 82 5.675 18.661 25.689 1.00 25.53 C ATOM 1155 O ILE A 82 5.475 19.861 25.502 1.00 64.04 O ATOM 1156 CB ILE A 82 3.353 17.750 25.606 1.00 42.23 C ATOM 1157 CG1 ILE A 82 2.240 17.080 26.413 1.00 32.22 C ATOM 1158 CG2 ILE A 82 3.586 17.009 24.298 1.00 50.25 C ATOM 1159 CD1 ILE A 82 2.587 15.682 26.876 1.00 54.01 C ATOM 0 H ILE A 82 3.705 19.052 27.823 1.00 10.23 H new ATOM 0 HA ILE A 82 5.044 16.794 26.545 1.00 63.24 H new ATOM 0 HB ILE A 82 3.044 18.769 25.374 1.00 42.23 H new ATOM 0 HG12 ILE A 82 2.012 17.696 27.283 1.00 32.22 H new ATOM 0 HG13 ILE A 82 1.336 17.039 25.805 1.00 32.22 H new ATOM 0 HG21 ILE A 82 2.658 16.978 23.727 1.00 50.25 H new ATOM 0 HG22 ILE A 82 4.352 17.525 23.719 1.00 50.25 H new ATOM 0 HG23 ILE A 82 3.915 15.992 24.510 1.00 50.25 H new ATOM 0 HD11 ILE A 82 1.752 15.268 27.442 1.00 54.01 H new ATOM 0 HD12 ILE A 82 2.787 15.051 26.010 1.00 54.01 H new ATOM 0 HD13 ILE A 82 3.473 15.718 27.510 1.00 54.01 H new ATOM 1171 N ILE A 83 6.770 18.035 25.270 1.00 72.44 N ATOM 1172 CA ILE A 83 7.822 18.738 24.547 1.00 40.31 C ATOM 1173 C ILE A 83 7.976 18.193 23.131 1.00 21.23 C ATOM 1174 O ILE A 83 8.154 16.991 22.934 1.00 14.12 O ATOM 1175 CB ILE A 83 9.174 18.631 25.276 1.00 3.52 C ATOM 1176 CG1 ILE A 83 9.015 19.009 26.750 1.00 33.13 C ATOM 1177 CG2 ILE A 83 10.210 19.521 24.605 1.00 12.41 C ATOM 1178 CD1 ILE A 83 8.569 20.439 26.963 1.00 34.52 C ATOM 0 H ILE A 83 6.951 17.042 25.419 1.00 72.44 H new ATOM 0 HA ILE A 83 7.526 19.786 24.500 1.00 40.31 H new ATOM 0 HB ILE A 83 9.519 17.599 25.220 1.00 3.52 H new ATOM 0 HG12 ILE A 83 8.291 18.338 27.212 1.00 33.13 H new ATOM 0 HG13 ILE A 83 9.965 18.853 27.261 1.00 33.13 H new ATOM 0 HG21 ILE A 83 11.160 19.434 25.132 1.00 12.41 H new ATOM 0 HG22 ILE A 83 10.340 19.210 23.568 1.00 12.41 H new ATOM 0 HG23 ILE A 83 9.873 20.557 24.633 1.00 12.41 H new ATOM 0 HD11 ILE A 83 8.477 20.636 28.031 1.00 34.52 H new ATOM 0 HD12 ILE A 83 9.304 21.118 26.530 1.00 34.52 H new ATOM 0 HD13 ILE A 83 7.604 20.595 26.481 1.00 34.52 H new ATOM 1190 N ALA A 84 7.909 19.085 22.149 1.00 74.04 N ATOM 1191 CA ALA A 84 8.044 18.694 20.751 1.00 25.10 C ATOM 1192 C ALA A 84 9.396 19.122 20.190 1.00 41.30 C ATOM 1193 O ALA A 84 9.740 20.305 20.204 1.00 73.14 O ATOM 1194 CB ALA A 84 6.915 19.290 19.924 1.00 32.50 C ATOM 0 H ALA A 84 7.762 20.084 22.295 1.00 74.04 H new ATOM 0 HA ALA A 84 7.984 17.607 20.696 1.00 25.10 H new ATOM 0 HB1 ALA A 84 7.029 18.989 18.882 1.00 32.50 H new ATOM 0 HB2 ALA A 84 5.958 18.931 20.303 1.00 32.50 H new ATOM 0 HB3 ALA A 84 6.948 20.377 19.994 1.00 32.50 H new ATOM 1200 N THR A 85 10.161 18.153 19.697 1.00 3.30 N ATOM 1201 CA THR A 85 11.476 18.430 19.133 1.00 23.00 C ATOM 1202 C THR A 85 11.488 18.200 17.626 1.00 12.01 C ATOM 1203 O THR A 85 11.199 17.100 17.154 1.00 51.20 O ATOM 1204 CB THR A 85 12.562 17.552 19.783 1.00 4.11 C ATOM 1205 OG1 THR A 85 11.976 16.700 20.773 1.00 11.13 O ATOM 1206 CG2 THR A 85 13.642 18.412 20.422 1.00 45.00 C ATOM 0 H THR A 85 9.892 17.169 19.677 1.00 3.30 H new ATOM 0 HA THR A 85 11.694 19.478 19.340 1.00 23.00 H new ATOM 0 HB THR A 85 13.019 16.942 19.004 1.00 4.11 H new ATOM 0 HG1 THR A 85 12.673 16.144 21.180 1.00 11.13 H new ATOM 0 HG21 THR A 85 14.398 17.770 20.875 1.00 45.00 H new ATOM 0 HG22 THR A 85 14.107 19.038 19.660 1.00 45.00 H new ATOM 0 HG23 THR A 85 13.196 19.045 21.190 1.00 45.00 H new ATOM 1214 N TYR A 86 11.824 19.243 16.876 1.00 53.41 N ATOM 1215 CA TYR A 86 11.871 19.155 15.421 1.00 0.22 C ATOM 1216 C TYR A 86 12.844 20.179 14.845 1.00 64.12 C ATOM 1217 O TYR A 86 12.544 21.370 14.780 1.00 3.23 O ATOM 1218 CB TYR A 86 10.477 19.372 14.831 1.00 72.35 C ATOM 1219 CG TYR A 86 10.256 18.651 13.520 1.00 72.20 C ATOM 1220 CD1 TYR A 86 11.312 18.414 12.648 1.00 13.22 C ATOM 1221 CD2 TYR A 86 8.991 18.207 13.153 1.00 44.21 C ATOM 1222 CE1 TYR A 86 11.115 17.757 11.449 1.00 34.44 C ATOM 1223 CE2 TYR A 86 8.785 17.547 11.957 1.00 43.42 C ATOM 1224 CZ TYR A 86 9.850 17.325 11.108 1.00 32.34 C ATOM 1225 OH TYR A 86 9.648 16.669 9.915 1.00 3.24 O ATOM 0 H TYR A 86 12.068 20.160 17.251 1.00 53.41 H new ATOM 0 HA TYR A 86 12.220 18.158 15.154 1.00 0.22 H new ATOM 0 HB2 TYR A 86 9.731 19.037 15.551 1.00 72.35 H new ATOM 0 HB3 TYR A 86 10.317 20.440 14.680 1.00 72.35 H new ATOM 0 HD1 TYR A 86 12.304 18.749 12.912 1.00 13.22 H new ATOM 0 HD2 TYR A 86 8.155 18.381 13.814 1.00 44.21 H new ATOM 0 HE1 TYR A 86 11.947 17.583 10.782 1.00 34.44 H new ATOM 0 HE2 TYR A 86 7.796 17.207 11.688 1.00 43.42 H new ATOM 0 HH TYR A 86 10.499 16.594 9.435 1.00 3.24 H new ATOM 1235 N GLY A 87 14.014 19.704 14.426 1.00 75.22 N ATOM 1236 CA GLY A 87 15.014 20.589 13.859 1.00 1.34 C ATOM 1237 C GLY A 87 15.550 21.582 14.872 1.00 33.10 C ATOM 1238 O GLY A 87 15.998 21.197 15.952 1.00 74.31 O ATOM 0 H GLY A 87 14.286 18.722 14.469 1.00 75.22 H new ATOM 0 HA2 GLY A 87 15.839 19.995 13.465 1.00 1.34 H new ATOM 0 HA3 GLY A 87 14.581 21.130 13.018 1.00 1.34 H new ATOM 1242 N SER A 88 15.505 22.864 14.523 1.00 65.44 N ATOM 1243 CA SER A 88 15.995 23.914 15.407 1.00 4.40 C ATOM 1244 C SER A 88 14.842 24.575 16.156 1.00 3.41 C ATOM 1245 O SER A 88 15.038 25.545 16.889 1.00 34.24 O ATOM 1246 CB SER A 88 16.768 24.965 14.607 1.00 55.03 C ATOM 1247 OG SER A 88 18.156 24.682 14.600 1.00 1.45 O ATOM 0 H SER A 88 15.134 23.200 13.634 1.00 65.44 H new ATOM 0 HA SER A 88 16.665 23.458 16.136 1.00 4.40 H new ATOM 0 HB2 SER A 88 16.395 24.994 13.583 1.00 55.03 H new ATOM 0 HB3 SER A 88 16.597 25.952 15.037 1.00 55.03 H new ATOM 0 HG SER A 88 18.627 25.367 14.081 1.00 1.45 H new ATOM 1253 N VAL A 89 13.639 24.043 15.966 1.00 40.42 N ATOM 1254 CA VAL A 89 12.453 24.580 16.623 1.00 24.34 C ATOM 1255 C VAL A 89 11.768 23.516 17.474 1.00 41.03 C ATOM 1256 O VAL A 89 11.730 22.342 17.106 1.00 51.03 O ATOM 1257 CB VAL A 89 11.444 25.131 15.599 1.00 62.14 C ATOM 1258 CG1 VAL A 89 10.230 25.715 16.305 1.00 5.03 C ATOM 1259 CG2 VAL A 89 12.105 26.172 14.708 1.00 71.24 C ATOM 0 H VAL A 89 13.460 23.241 15.362 1.00 40.42 H new ATOM 0 HA VAL A 89 12.788 25.395 17.265 1.00 24.34 H new ATOM 0 HB VAL A 89 11.106 24.308 14.969 1.00 62.14 H new ATOM 0 HG11 VAL A 89 9.528 26.099 15.565 1.00 5.03 H new ATOM 0 HG12 VAL A 89 9.745 24.939 16.896 1.00 5.03 H new ATOM 0 HG13 VAL A 89 10.546 26.526 16.961 1.00 5.03 H new ATOM 0 HG21 VAL A 89 11.378 26.551 13.990 1.00 71.24 H new ATOM 0 HG22 VAL A 89 12.473 26.995 15.321 1.00 71.24 H new ATOM 0 HG23 VAL A 89 12.939 25.717 14.174 1.00 71.24 H new ATOM 1269 N SER A 90 11.227 23.935 18.613 1.00 10.21 N ATOM 1270 CA SER A 90 10.545 23.018 19.519 1.00 61.24 C ATOM 1271 C SER A 90 9.311 23.675 20.130 1.00 24.21 C ATOM 1272 O SER A 90 9.231 24.898 20.230 1.00 51.31 O ATOM 1273 CB SER A 90 11.496 22.561 20.627 1.00 73.23 C ATOM 1274 OG SER A 90 12.147 23.666 21.228 1.00 11.41 O ATOM 0 H SER A 90 11.248 24.904 18.931 1.00 10.21 H new ATOM 0 HA SER A 90 10.225 22.149 18.944 1.00 61.24 H new ATOM 0 HB2 SER A 90 10.939 22.008 21.383 1.00 73.23 H new ATOM 0 HB3 SER A 90 12.238 21.878 20.214 1.00 73.23 H new ATOM 0 HG SER A 90 12.748 23.348 21.934 1.00 11.41 H new ATOM 1280 N GLY A 91 8.351 22.851 20.538 1.00 12.05 N ATOM 1281 CA GLY A 91 7.133 23.369 21.135 1.00 25.11 C ATOM 1282 C GLY A 91 6.910 22.849 22.541 1.00 4.34 C ATOM 1283 O GLY A 91 7.623 21.958 23.001 1.00 2.32 O ATOM 0 H GLY A 91 8.394 21.834 20.466 1.00 12.05 H new ATOM 0 HA2 GLY A 91 7.177 24.458 21.156 1.00 25.11 H new ATOM 0 HA3 GLY A 91 6.282 23.097 20.511 1.00 25.11 H new ATOM 1287 N ASN A 92 5.919 23.409 23.227 1.00 33.30 N ATOM 1288 CA ASN A 92 5.605 22.998 24.591 1.00 63.32 C ATOM 1289 C ASN A 92 4.108 23.110 24.862 1.00 2.44 C ATOM 1290 O ASN A 92 3.472 24.100 24.498 1.00 70.11 O ATOM 1291 CB ASN A 92 6.383 23.851 25.594 1.00 11.54 C ATOM 1292 CG ASN A 92 6.078 23.476 27.032 1.00 54.03 C ATOM 1293 OD1 ASN A 92 5.656 22.355 27.316 1.00 65.31 O ATOM 1294 ND2 ASN A 92 6.289 24.416 27.946 1.00 21.51 N ATOM 0 H ASN A 92 5.320 24.149 22.861 1.00 33.30 H new ATOM 0 HA ASN A 92 5.899 21.955 24.707 1.00 63.32 H new ATOM 0 HB2 ASN A 92 7.452 23.738 25.411 1.00 11.54 H new ATOM 0 HB3 ASN A 92 6.142 24.902 25.437 1.00 11.54 H new ATOM 0 HD21 ASN A 92 6.100 24.223 28.930 1.00 21.51 H new ATOM 0 HD22 ASN A 92 6.640 25.331 27.664 1.00 21.51 H new ATOM 1301 N THR A 93 3.550 22.090 25.506 1.00 25.41 N ATOM 1302 CA THR A 93 2.129 22.073 25.827 1.00 52.04 C ATOM 1303 C THR A 93 1.892 21.588 27.252 1.00 2.33 C ATOM 1304 O THR A 93 2.581 20.689 27.734 1.00 20.52 O ATOM 1305 CB THR A 93 1.344 21.173 24.854 1.00 61.04 C ATOM 1306 OG1 THR A 93 2.021 21.106 23.594 1.00 41.44 O ATOM 1307 CG2 THR A 93 -0.068 21.700 24.649 1.00 73.41 C ATOM 0 H THR A 93 4.062 21.264 25.816 1.00 25.41 H new ATOM 0 HA THR A 93 1.772 23.098 25.731 1.00 52.04 H new ATOM 0 HB THR A 93 1.283 20.174 25.287 1.00 61.04 H new ATOM 0 HG1 THR A 93 1.516 20.531 22.982 1.00 41.44 H new ATOM 0 HG21 THR A 93 -0.603 21.048 23.958 1.00 73.41 H new ATOM 0 HG22 THR A 93 -0.591 21.722 25.605 1.00 73.41 H new ATOM 0 HG23 THR A 93 -0.024 22.708 24.236 1.00 73.41 H new ATOM 1315 N ILE A 94 0.915 22.189 27.922 1.00 54.40 N ATOM 1316 CA ILE A 94 0.587 21.817 29.292 1.00 33.35 C ATOM 1317 C ILE A 94 -0.777 21.138 29.366 1.00 23.24 C ATOM 1318 O ILE A 94 -1.786 21.698 28.936 1.00 63.02 O ATOM 1319 CB ILE A 94 0.589 23.042 30.225 1.00 55.51 C ATOM 1320 CG1 ILE A 94 -0.186 24.198 29.586 1.00 25.53 C ATOM 1321 CG2 ILE A 94 2.015 23.465 30.542 1.00 63.13 C ATOM 1322 CD1 ILE A 94 -0.958 25.032 30.584 1.00 42.01 C ATOM 0 H ILE A 94 0.336 22.936 27.538 1.00 54.40 H new ATOM 0 HA ILE A 94 1.357 21.119 29.621 1.00 33.35 H new ATOM 0 HB ILE A 94 0.096 22.770 31.158 1.00 55.51 H new ATOM 0 HG12 ILE A 94 0.512 24.841 29.051 1.00 25.53 H new ATOM 0 HG13 ILE A 94 -0.879 23.796 28.847 1.00 25.53 H new ATOM 0 HG21 ILE A 94 1.999 24.332 31.202 1.00 63.13 H new ATOM 0 HG22 ILE A 94 2.537 22.644 31.033 1.00 63.13 H new ATOM 0 HG23 ILE A 94 2.532 23.722 29.618 1.00 63.13 H new ATOM 0 HD11 ILE A 94 -1.482 25.832 30.061 1.00 42.01 H new ATOM 0 HD12 ILE A 94 -1.681 24.402 31.102 1.00 42.01 H new ATOM 0 HD13 ILE A 94 -0.268 25.464 31.309 1.00 42.01 H new ATOM 1334 N LEU A 95 -0.800 19.929 29.916 1.00 33.24 N ATOM 1335 CA LEU A 95 -2.041 19.173 30.049 1.00 22.23 C ATOM 1336 C LEU A 95 -2.361 18.906 31.516 1.00 14.05 C ATOM 1337 O LEU A 95 -1.501 18.472 32.283 1.00 62.31 O ATOM 1338 CB LEU A 95 -1.938 17.849 29.289 1.00 15.40 C ATOM 1339 CG LEU A 95 -2.967 16.781 29.660 1.00 34.20 C ATOM 1340 CD1 LEU A 95 -4.377 17.347 29.581 1.00 62.32 C ATOM 1341 CD2 LEU A 95 -2.826 15.567 28.753 1.00 33.13 C ATOM 0 H LEU A 95 0.026 19.451 30.277 1.00 33.24 H new ATOM 0 HA LEU A 95 -2.848 19.769 29.622 1.00 22.23 H new ATOM 0 HB2 LEU A 95 -2.028 18.057 28.223 1.00 15.40 H new ATOM 0 HB3 LEU A 95 -0.942 17.437 29.450 1.00 15.40 H new ATOM 0 HG LEU A 95 -2.781 16.466 30.687 1.00 34.20 H new ATOM 0 HD11 LEU A 95 -5.096 16.572 29.848 1.00 62.32 H new ATOM 0 HD12 LEU A 95 -4.472 18.184 30.272 1.00 62.32 H new ATOM 0 HD13 LEU A 95 -4.575 17.690 28.566 1.00 62.32 H new ATOM 0 HD21 LEU A 95 -3.566 14.817 29.031 1.00 33.13 H new ATOM 0 HD22 LEU A 95 -2.985 15.866 27.717 1.00 33.13 H new ATOM 0 HD23 LEU A 95 -1.826 15.147 28.860 1.00 33.13 H new ATOM 1353 N THR A 96 -3.607 19.167 31.902 1.00 62.12 N ATOM 1354 CA THR A 96 -4.042 18.954 33.276 1.00 10.23 C ATOM 1355 C THR A 96 -4.708 17.593 33.438 1.00 71.42 C ATOM 1356 O THR A 96 -5.823 17.376 32.964 1.00 75.20 O ATOM 1357 CB THR A 96 -5.024 20.051 33.731 1.00 70.43 C ATOM 1358 OG1 THR A 96 -4.381 21.330 33.695 1.00 72.45 O ATOM 1359 CG2 THR A 96 -5.533 19.772 35.137 1.00 4.51 C ATOM 0 H THR A 96 -4.332 19.526 31.281 1.00 62.12 H new ATOM 0 HA THR A 96 -3.149 18.994 33.900 1.00 10.23 H new ATOM 0 HB THR A 96 -5.874 20.053 33.048 1.00 70.43 H new ATOM 0 HG1 THR A 96 -4.902 21.943 33.135 1.00 72.45 H new ATOM 0 HG21 THR A 96 -6.224 20.560 35.437 1.00 4.51 H new ATOM 0 HG22 THR A 96 -6.048 18.811 35.154 1.00 4.51 H new ATOM 0 HG23 THR A 96 -4.692 19.745 35.830 1.00 4.51 H new ATOM 1367 N VAL A 97 -4.018 16.677 34.110 1.00 3.24 N ATOM 1368 CA VAL A 97 -4.544 15.336 34.336 1.00 3.20 C ATOM 1369 C VAL A 97 -4.732 15.063 35.824 1.00 25.20 C ATOM 1370 O VAL A 97 -3.810 15.242 36.619 1.00 14.04 O ATOM 1371 CB VAL A 97 -3.615 14.261 33.741 1.00 5.51 C ATOM 1372 CG1 VAL A 97 -3.712 14.252 32.223 1.00 33.22 C ATOM 1373 CG2 VAL A 97 -2.179 14.491 34.190 1.00 52.03 C ATOM 0 H VAL A 97 -3.093 16.839 34.508 1.00 3.24 H new ATOM 0 HA VAL A 97 -5.511 15.287 33.836 1.00 3.20 H new ATOM 0 HB VAL A 97 -3.935 13.286 34.107 1.00 5.51 H new ATOM 0 HG11 VAL A 97 -3.049 13.486 31.821 1.00 33.22 H new ATOM 0 HG12 VAL A 97 -4.738 14.036 31.925 1.00 33.22 H new ATOM 0 HG13 VAL A 97 -3.419 15.227 31.834 1.00 33.22 H new ATOM 0 HG21 VAL A 97 -1.536 13.723 33.761 1.00 52.03 H new ATOM 0 HG22 VAL A 97 -1.845 15.473 33.854 1.00 52.03 H new ATOM 0 HG23 VAL A 97 -2.126 14.443 35.278 1.00 52.03 H new ATOM 1383 N ASN A 98 -5.932 14.627 36.193 1.00 3.11 N ATOM 1384 CA ASN A 98 -6.241 14.328 37.587 1.00 51.53 C ATOM 1385 C ASN A 98 -6.759 12.901 37.735 1.00 0.11 C ATOM 1386 O ASN A 98 -7.865 12.678 38.227 1.00 32.14 O ATOM 1387 CB ASN A 98 -7.278 15.317 38.124 1.00 43.41 C ATOM 1388 CG ASN A 98 -6.902 16.759 37.842 1.00 44.21 C ATOM 1389 OD1 ASN A 98 -7.251 17.240 36.655 1.00 41.11 O flip ATOM 1390 ND2 ASN A 98 -6.304 17.432 38.682 1.00 54.43 N flip ATOM 0 H ASN A 98 -6.706 14.473 35.547 1.00 3.11 H new ATOM 0 HA ASN A 98 -5.322 14.424 38.166 1.00 51.53 H new ATOM 0 HB2 ASN A 98 -8.247 15.103 37.674 1.00 43.41 H new ATOM 0 HB3 ASN A 98 -7.387 15.177 39.199 1.00 43.41 H new ATOM 0 HD21 ASN A 98 -6.055 17.021 39.582 1.00 54.43 H new ATOM 0 HD22 ASN A 98 -6.057 18.400 38.478 1.00 54.43 H new ATOM 1397 N LYS A 99 -5.951 11.937 37.307 1.00 53.04 N ATOM 1398 CA LYS A 99 -6.325 10.530 37.393 1.00 51.33 C ATOM 1399 C LYS A 99 -6.418 10.080 38.847 1.00 14.21 C ATOM 1400 O LYS A 99 -5.403 9.828 39.497 1.00 41.32 O ATOM 1401 CB LYS A 99 -5.309 9.665 36.644 1.00 73.40 C ATOM 1402 CG LYS A 99 -5.599 8.176 36.728 1.00 13.13 C ATOM 1403 CD LYS A 99 -6.028 7.614 35.383 1.00 10.42 C ATOM 1404 CE LYS A 99 -6.960 6.423 35.548 1.00 43.42 C ATOM 1405 NZ LYS A 99 -6.272 5.264 36.181 1.00 43.24 N ATOM 0 H LYS A 99 -5.032 12.104 36.897 1.00 53.04 H new ATOM 0 HA LYS A 99 -7.305 10.411 36.931 1.00 51.33 H new ATOM 0 HB2 LYS A 99 -5.292 9.965 35.596 1.00 73.40 H new ATOM 0 HB3 LYS A 99 -4.314 9.856 37.047 1.00 73.40 H new ATOM 0 HG2 LYS A 99 -4.710 7.650 37.076 1.00 13.13 H new ATOM 0 HG3 LYS A 99 -6.383 7.998 37.464 1.00 13.13 H new ATOM 0 HD2 LYS A 99 -6.528 8.391 34.805 1.00 10.42 H new ATOM 0 HD3 LYS A 99 -5.147 7.312 34.816 1.00 10.42 H new ATOM 0 HE2 LYS A 99 -7.816 6.714 36.157 1.00 43.42 H new ATOM 0 HE3 LYS A 99 -7.347 6.127 34.573 1.00 43.42 H new ATOM 0 HZ1 LYS A 99 -6.941 4.473 36.276 1.00 43.24 H new ATOM 0 HZ2 LYS A 99 -5.470 4.970 35.588 1.00 43.24 H new ATOM 0 HZ3 LYS A 99 -5.924 5.538 37.122 1.00 43.24 H new ATOM 1419 N THR A 100 -7.644 9.979 39.353 1.00 4.44 N ATOM 1420 CA THR A 100 -7.869 9.559 40.731 1.00 53.34 C ATOM 1421 C THR A 100 -7.535 8.084 40.917 1.00 25.12 C ATOM 1422 O THR A 100 -7.094 7.668 41.989 1.00 45.31 O ATOM 1423 CB THR A 100 -9.329 9.801 41.160 1.00 42.14 C ATOM 1424 OG1 THR A 100 -9.507 9.418 42.528 1.00 71.12 O ATOM 1425 CG2 THR A 100 -10.289 9.016 40.279 1.00 40.24 C ATOM 0 H THR A 100 -8.495 10.182 38.829 1.00 4.44 H new ATOM 0 HA THR A 100 -7.209 10.160 41.357 1.00 53.34 H new ATOM 0 HB THR A 100 -9.546 10.863 41.049 1.00 42.14 H new ATOM 0 HG1 THR A 100 -10.437 9.576 42.794 1.00 71.12 H new ATOM 0 HG21 THR A 100 -11.314 9.203 40.601 1.00 40.24 H new ATOM 0 HG22 THR A 100 -10.171 9.331 39.242 1.00 40.24 H new ATOM 0 HG23 THR A 100 -10.071 7.951 40.362 1.00 40.24 H new