USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=34 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 56 ASN : amide:sc= -0.426 K(o=-5.1,f=-4.5) USER MOD Set 1.2: A 59 GLN : amide:sc= -4.67! C(o=-5.1!,f=-7.2!) USER MOD Set 2.1: A 49 SER OG : rot -102:sc= 1.41 USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.886 USER MOD Set 3.1: A 23 ASN : amide:sc= -1.62 K(o=-2,f=1.8) USER MOD Set 3.2: A 96 THR OG1 : rot -170:sc= -0.412 USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -22:sc= 0.616 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= -1.28 K(o=-1.3,f=-0.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 25 ASN : amide:sc= -4.28! K(o=-4.3!,f=-0.94) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 27 THR OG1 : rot -71:sc= 0.341 USER MOD Single : A 29 SER OG : rot -150:sc= -0.0368 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.04 K(o=-1,f=-0.21) USER MOD Single : A 37 THR OG1 : rot 60:sc= 0.589 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : 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 180:sc= -1.2 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 -6:sc= -0.992! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) 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= -6.18 K(o=-6.2,f=-2.1) USER MOD Single : A 66 SER OG : rot 160:sc= 0 USER MOD Single : A 68 THR OG1 : rot -110:sc= 1.12 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.113 USER MOD Single : A 79 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 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=-0.00746 X(o=-0.0075,f=-0.2) USER MOD Single : A 93 THR OG1 : rot 13:sc= -0.607! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) 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 17.896 20.206 7.461 1.00 50.23 N ATOM 142 CA THR A 11 18.077 21.620 7.764 1.00 51.33 C ATOM 143 C THR A 11 16.750 22.279 8.124 1.00 45.50 C ATOM 144 O THR A 11 15.987 22.683 7.246 1.00 60.15 O ATOM 145 CB THR A 11 18.706 22.373 6.576 1.00 15.31 C ATOM 146 OG1 THR A 11 18.432 21.677 5.355 1.00 44.42 O ATOM 147 CG2 THR A 11 20.209 22.515 6.760 1.00 70.13 C ATOM 0 HA THR A 11 18.751 21.677 8.618 1.00 51.33 H new ATOM 0 HB THR A 11 18.267 23.370 6.532 1.00 15.31 H new ATOM 0 HG1 THR A 11 18.235 20.737 5.551 1.00 44.42 H new ATOM 0 HG21 THR A 11 20.631 23.050 5.909 1.00 70.13 H new ATOM 0 HG22 THR A 11 20.413 23.071 7.675 1.00 70.13 H new ATOM 0 HG23 THR A 11 20.662 21.526 6.828 1.00 70.13 H new ATOM 155 N LEU A 12 16.482 22.387 9.420 1.00 34.24 N ATOM 156 CA LEU A 12 15.246 22.999 9.897 1.00 22.35 C ATOM 157 C LEU A 12 15.438 24.492 10.143 1.00 74.10 C ATOM 158 O LEU A 12 16.343 24.901 10.870 1.00 33.42 O ATOM 159 CB LEU A 12 14.779 22.315 11.183 1.00 35.33 C ATOM 160 CG LEU A 12 14.006 21.007 11.005 1.00 1.13 C ATOM 161 CD1 LEU A 12 12.751 21.237 10.178 1.00 60.12 C ATOM 162 CD2 LEU A 12 14.889 19.950 10.357 1.00 54.42 C ATOM 0 H LEU A 12 17.103 22.059 10.160 1.00 34.24 H new ATOM 0 HA LEU A 12 14.485 22.871 9.127 1.00 22.35 H new ATOM 0 HB2 LEU A 12 15.653 22.116 11.803 1.00 35.33 H new ATOM 0 HB3 LEU A 12 14.150 23.014 11.735 1.00 35.33 H new ATOM 0 HG LEU A 12 13.706 20.647 11.989 1.00 1.13 H new ATOM 0 HD11 LEU A 12 12.214 20.296 10.062 1.00 60.12 H new ATOM 0 HD12 LEU A 12 12.110 21.960 10.682 1.00 60.12 H new ATOM 0 HD13 LEU A 12 13.028 21.620 9.196 1.00 60.12 H new ATOM 0 HD21 LEU A 12 14.323 19.026 10.238 1.00 54.42 H new ATOM 0 HD22 LEU A 12 15.220 20.301 9.380 1.00 54.42 H new ATOM 0 HD23 LEU A 12 15.758 19.764 10.989 1.00 54.42 H new ATOM 174 N SER A 13 14.578 25.302 9.533 1.00 32.40 N ATOM 175 CA SER A 13 14.653 26.750 9.684 1.00 1.10 C ATOM 176 C SER A 13 13.464 27.276 10.482 1.00 31.53 C ATOM 177 O SER A 13 13.624 28.088 11.393 1.00 32.02 O ATOM 178 CB SER A 13 14.699 27.425 8.312 1.00 42.30 C ATOM 179 OG SER A 13 14.679 28.837 8.437 1.00 22.33 O ATOM 0 H SER A 13 13.821 24.980 8.930 1.00 32.40 H new ATOM 0 HA SER A 13 15.567 26.987 10.229 1.00 1.10 H new ATOM 0 HB2 SER A 13 15.600 27.117 7.782 1.00 42.30 H new ATOM 0 HB3 SER A 13 13.849 27.098 7.714 1.00 42.30 H new ATOM 0 HG SER A 13 14.711 29.245 7.546 1.00 22.33 H new ATOM 185 N SER A 14 12.271 26.805 10.133 1.00 14.42 N ATOM 186 CA SER A 14 11.053 27.230 10.814 1.00 72.14 C ATOM 187 C SER A 14 10.202 26.026 11.206 1.00 72.12 C ATOM 188 O SER A 14 10.210 24.999 10.526 1.00 33.13 O ATOM 189 CB SER A 14 10.244 28.170 9.918 1.00 42.22 C ATOM 190 OG SER A 14 10.969 28.509 8.748 1.00 2.55 O ATOM 0 H SER A 14 12.122 26.130 9.383 1.00 14.42 H new ATOM 0 HA SER A 14 11.340 27.762 11.721 1.00 72.14 H new ATOM 0 HB2 SER A 14 9.303 27.694 9.642 1.00 42.22 H new ATOM 0 HB3 SER A 14 9.993 29.076 10.469 1.00 42.22 H new ATOM 0 HG SER A 14 10.430 29.109 8.191 1.00 2.55 H new ATOM 196 N ILE A 15 9.469 26.161 12.306 1.00 61.50 N ATOM 197 CA ILE A 15 8.612 25.085 12.789 1.00 52.04 C ATOM 198 C ILE A 15 7.224 25.607 13.147 1.00 63.43 C ATOM 199 O ILE A 15 7.076 26.736 13.612 1.00 13.43 O ATOM 200 CB ILE A 15 9.220 24.390 14.021 1.00 63.22 C ATOM 201 CG1 ILE A 15 10.707 24.107 13.792 1.00 55.30 C ATOM 202 CG2 ILE A 15 8.471 23.101 14.326 1.00 44.23 C ATOM 203 CD1 ILE A 15 10.972 23.169 12.635 1.00 2.34 C ATOM 0 H ILE A 15 9.451 27.004 12.879 1.00 61.50 H new ATOM 0 HA ILE A 15 8.528 24.361 11.979 1.00 52.04 H new ATOM 0 HB ILE A 15 9.124 25.055 14.879 1.00 63.22 H new ATOM 0 HG12 ILE A 15 11.224 25.049 13.611 1.00 55.30 H new ATOM 0 HG13 ILE A 15 11.131 23.680 14.700 1.00 55.30 H new ATOM 0 HG21 ILE A 15 8.913 22.621 15.199 1.00 44.23 H new ATOM 0 HG22 ILE A 15 7.424 23.327 14.527 1.00 44.23 H new ATOM 0 HG23 ILE A 15 8.539 22.429 13.470 1.00 44.23 H new ATOM 0 HD11 ILE A 15 12.046 23.014 12.531 1.00 2.34 H new ATOM 0 HD12 ILE A 15 10.483 22.213 12.823 1.00 2.34 H new ATOM 0 HD13 ILE A 15 10.578 23.604 11.716 1.00 2.34 H new ATOM 215 N SER A 16 6.211 24.775 12.928 1.00 53.14 N ATOM 216 CA SER A 16 4.834 25.153 13.225 1.00 21.23 C ATOM 217 C SER A 16 4.218 24.201 14.246 1.00 22.31 C ATOM 218 O SER A 16 4.022 23.017 13.968 1.00 41.33 O ATOM 219 CB SER A 16 3.996 25.158 11.945 1.00 22.13 C ATOM 220 OG SER A 16 3.735 26.482 11.512 1.00 62.41 O ATOM 0 H SER A 16 6.318 23.835 12.546 1.00 53.14 H new ATOM 0 HA SER A 16 4.842 26.157 13.649 1.00 21.23 H new ATOM 0 HB2 SER A 16 4.521 24.612 11.161 1.00 22.13 H new ATOM 0 HB3 SER A 16 3.055 24.637 12.121 1.00 22.13 H new ATOM 0 HG SER A 16 3.200 26.458 10.692 1.00 62.41 H new ATOM 226 N ILE A 17 3.916 24.726 15.428 1.00 13.14 N ATOM 227 CA ILE A 17 3.321 23.924 16.491 1.00 43.24 C ATOM 228 C ILE A 17 1.885 24.356 16.768 1.00 44.44 C ATOM 229 O ILE A 17 1.566 25.544 16.730 1.00 13.51 O ATOM 230 CB ILE A 17 4.136 24.023 17.794 1.00 51.41 C ATOM 231 CG1 ILE A 17 5.631 23.886 17.498 1.00 31.13 C ATOM 232 CG2 ILE A 17 3.686 22.958 18.782 1.00 13.13 C ATOM 233 CD1 ILE A 17 6.502 23.981 18.731 1.00 11.43 C ATOM 0 H ILE A 17 4.073 25.703 15.675 1.00 13.14 H new ATOM 0 HA ILE A 17 3.326 22.890 16.147 1.00 43.24 H new ATOM 0 HB ILE A 17 3.962 25.002 18.241 1.00 51.41 H new ATOM 0 HG12 ILE A 17 5.810 22.928 17.009 1.00 31.13 H new ATOM 0 HG13 ILE A 17 5.926 24.663 16.793 1.00 31.13 H new ATOM 0 HG21 ILE A 17 4.271 23.041 19.698 1.00 13.13 H new ATOM 0 HG22 ILE A 17 2.630 23.098 19.012 1.00 13.13 H new ATOM 0 HG23 ILE A 17 3.834 21.970 18.345 1.00 13.13 H new ATOM 0 HD11 ILE A 17 7.549 23.875 18.446 1.00 11.43 H new ATOM 0 HD12 ILE A 17 6.352 24.949 19.209 1.00 11.43 H new ATOM 0 HD13 ILE A 17 6.234 23.187 19.428 1.00 11.43 H new ATOM 245 N SER A 18 1.024 23.384 17.048 1.00 60.44 N ATOM 246 CA SER A 18 -0.379 23.663 17.330 1.00 72.25 C ATOM 247 C SER A 18 -0.829 22.953 18.603 1.00 72.44 C ATOM 248 O SER A 18 -1.607 21.999 18.570 1.00 22.41 O ATOM 249 CB SER A 18 -1.254 23.227 16.153 1.00 52.34 C ATOM 250 OG SER A 18 -1.470 24.301 15.253 1.00 33.21 O ATOM 0 H SER A 18 1.273 22.396 17.086 1.00 60.44 H new ATOM 0 HA SER A 18 -0.488 24.738 17.476 1.00 72.25 H new ATOM 0 HB2 SER A 18 -0.777 22.399 15.628 1.00 52.34 H new ATOM 0 HB3 SER A 18 -2.211 22.861 16.524 1.00 52.34 H new ATOM 0 HG SER A 18 -2.030 23.997 14.509 1.00 33.21 H new ATOM 256 N PRO A 19 -0.329 23.428 19.753 1.00 50.13 N ATOM 257 CA PRO A 19 -0.665 22.855 21.059 1.00 34.23 C ATOM 258 C PRO A 19 -2.110 23.132 21.459 1.00 35.03 C ATOM 259 O PRO A 19 -2.763 24.010 20.895 1.00 41.44 O ATOM 260 CB PRO A 19 0.299 23.561 22.015 1.00 0.04 C ATOM 261 CG PRO A 19 0.624 24.850 21.342 1.00 22.42 C ATOM 262 CD PRO A 19 0.603 24.563 19.866 1.00 31.43 C ATOM 0 HA PRO A 19 -0.572 21.769 21.063 1.00 34.23 H new ATOM 0 HB2 PRO A 19 -0.161 23.728 22.989 1.00 0.04 H new ATOM 0 HB3 PRO A 19 1.196 22.965 22.184 1.00 0.04 H new ATOM 0 HG2 PRO A 19 -0.104 25.619 21.600 1.00 22.42 H new ATOM 0 HG3 PRO A 19 1.601 25.218 21.654 1.00 22.42 H new ATOM 0 HD2 PRO A 19 0.259 25.424 19.294 1.00 31.43 H new ATOM 0 HD3 PRO A 19 1.594 24.308 19.492 1.00 31.43 H new ATOM 270 N ILE A 20 -2.604 22.378 22.436 1.00 50.30 N ATOM 271 CA ILE A 20 -3.972 22.545 22.912 1.00 63.11 C ATOM 272 C ILE A 20 -4.032 22.504 24.435 1.00 14.51 C ATOM 273 O ILE A 20 -3.588 21.542 25.059 1.00 72.44 O ATOM 274 CB ILE A 20 -4.902 21.457 22.343 1.00 10.22 C ATOM 275 CG1 ILE A 20 -6.326 21.646 22.871 1.00 43.32 C ATOM 276 CG2 ILE A 20 -4.379 20.074 22.699 1.00 22.31 C ATOM 277 CD1 ILE A 20 -7.364 21.767 21.777 1.00 32.35 C ATOM 0 H ILE A 20 -2.078 21.646 22.913 1.00 50.30 H new ATOM 0 HA ILE A 20 -4.312 23.520 22.563 1.00 63.11 H new ATOM 0 HB ILE A 20 -4.922 21.548 21.257 1.00 10.22 H new ATOM 0 HG12 ILE A 20 -6.582 20.803 23.512 1.00 43.32 H new ATOM 0 HG13 ILE A 20 -6.359 22.541 23.493 1.00 43.32 H new ATOM 0 HG21 ILE A 20 -5.047 19.316 22.290 1.00 22.31 H new ATOM 0 HG22 ILE A 20 -3.381 19.943 22.280 1.00 22.31 H new ATOM 0 HG23 ILE A 20 -4.333 19.970 23.783 1.00 22.31 H new ATOM 0 HD11 ILE A 20 -8.350 21.899 22.224 1.00 32.35 H new ATOM 0 HD12 ILE A 20 -7.132 22.627 21.149 1.00 32.35 H new ATOM 0 HD13 ILE A 20 -7.359 20.862 21.169 1.00 32.35 H new ATOM 289 N ASN A 21 -4.587 23.557 25.028 1.00 75.32 N ATOM 290 CA ASN A 21 -4.708 23.641 26.479 1.00 50.23 C ATOM 291 C ASN A 21 -6.137 23.345 26.924 1.00 40.40 C ATOM 292 O ASN A 21 -6.957 24.254 27.064 1.00 23.33 O ATOM 293 CB ASN A 21 -4.287 25.029 26.966 1.00 20.04 C ATOM 294 CG ASN A 21 -3.209 25.645 26.096 1.00 50.33 C ATOM 295 OD1 ASN A 21 -3.328 26.790 25.657 1.00 33.54 O ATOM 296 ND2 ASN A 21 -2.149 24.887 25.841 1.00 71.11 N ATOM 0 H ASN A 21 -4.960 24.363 24.526 1.00 75.32 H new ATOM 0 HA ASN A 21 -4.048 22.893 26.918 1.00 50.23 H new ATOM 0 HB2 ASN A 21 -5.157 25.685 26.981 1.00 20.04 H new ATOM 0 HB3 ASN A 21 -3.925 24.957 27.992 1.00 20.04 H new ATOM 0 HD21 ASN A 21 -1.392 25.248 25.261 1.00 71.11 H new ATOM 0 HD22 ASN A 21 -2.092 23.944 26.225 1.00 71.11 H new ATOM 303 N THR A 22 -6.429 22.068 27.146 1.00 75.42 N ATOM 304 CA THR A 22 -7.759 21.651 27.575 1.00 44.05 C ATOM 305 C THR A 22 -7.680 20.708 28.770 1.00 54.13 C ATOM 306 O THR A 22 -6.645 20.093 29.020 1.00 60.10 O ATOM 307 CB THR A 22 -8.524 20.954 26.434 1.00 20.31 C ATOM 308 OG1 THR A 22 -8.070 21.444 25.168 1.00 50.33 O ATOM 309 CG2 THR A 22 -10.022 21.186 26.566 1.00 24.23 C ATOM 0 H THR A 22 -5.763 21.304 27.036 1.00 75.42 H new ATOM 0 HA THR A 22 -8.296 22.554 27.864 1.00 44.05 H new ATOM 0 HB THR A 22 -8.331 19.883 26.498 1.00 20.31 H new ATOM 0 HG1 THR A 22 -8.560 20.994 24.448 1.00 50.33 H new ATOM 0 HG21 THR A 22 -10.541 20.684 25.749 1.00 24.23 H new ATOM 0 HG22 THR A 22 -10.370 20.785 27.518 1.00 24.23 H new ATOM 0 HG23 THR A 22 -10.230 22.255 26.525 1.00 24.23 H new ATOM 317 N ASN A 23 -8.783 20.599 29.505 1.00 64.25 N ATOM 318 CA ASN A 23 -8.838 19.730 30.674 1.00 32.33 C ATOM 319 C ASN A 23 -9.763 18.542 30.426 1.00 63.31 C ATOM 320 O ASN A 23 -10.858 18.697 29.885 1.00 43.24 O ATOM 321 CB ASN A 23 -9.316 20.515 31.897 1.00 13.40 C ATOM 322 CG ASN A 23 -8.808 21.944 31.901 1.00 0.21 C ATOM 323 OD1 ASN A 23 -9.560 22.882 32.168 1.00 20.42 O ATOM 324 ND2 ASN A 23 -7.525 22.116 31.604 1.00 52.41 N ATOM 0 H ASN A 23 -9.649 21.101 29.311 1.00 64.25 H new ATOM 0 HA ASN A 23 -7.833 19.353 30.862 1.00 32.33 H new ATOM 0 HB2 ASN A 23 -10.406 20.520 31.919 1.00 13.40 H new ATOM 0 HB3 ASN A 23 -8.981 20.010 32.803 1.00 13.40 H new ATOM 0 HD21 ASN A 23 -7.126 23.055 31.591 1.00 52.41 H new ATOM 0 HD22 ASN A 23 -6.939 21.309 31.389 1.00 52.41 H new ATOM 331 N ILE A 24 -9.314 17.357 30.826 1.00 73.55 N ATOM 332 CA ILE A 24 -10.102 16.143 30.648 1.00 62.11 C ATOM 333 C ILE A 24 -9.978 15.225 31.859 1.00 11.13 C ATOM 334 O ILE A 24 -8.991 15.277 32.592 1.00 14.52 O ATOM 335 CB ILE A 24 -9.670 15.371 29.387 1.00 10.10 C ATOM 336 CG1 ILE A 24 -9.538 16.326 28.198 1.00 33.44 C ATOM 337 CG2 ILE A 24 -10.666 14.264 29.076 1.00 14.15 C ATOM 338 CD1 ILE A 24 -10.864 16.860 27.703 1.00 62.13 C ATOM 0 H ILE A 24 -8.410 17.212 31.275 1.00 73.55 H new ATOM 0 HA ILE A 24 -11.140 16.455 30.536 1.00 62.11 H new ATOM 0 HB ILE A 24 -8.697 14.916 29.573 1.00 10.10 H new ATOM 0 HG12 ILE A 24 -8.902 17.164 28.484 1.00 33.44 H new ATOM 0 HG13 ILE A 24 -9.036 15.809 27.381 1.00 33.44 H new ATOM 0 HG21 ILE A 24 -10.347 13.728 28.182 1.00 14.15 H new ATOM 0 HG22 ILE A 24 -10.715 13.572 29.917 1.00 14.15 H new ATOM 0 HG23 ILE A 24 -11.651 14.698 28.906 1.00 14.15 H new ATOM 0 HD11 ILE A 24 -10.695 17.530 26.860 1.00 62.13 H new ATOM 0 HD12 ILE A 24 -11.495 16.030 27.386 1.00 62.13 H new ATOM 0 HD13 ILE A 24 -11.359 17.406 28.506 1.00 62.13 H new ATOM 350 N ASN A 25 -10.986 14.383 32.062 1.00 12.14 N ATOM 351 CA ASN A 25 -10.990 13.452 33.185 1.00 60.33 C ATOM 352 C ASN A 25 -11.106 12.011 32.696 1.00 53.23 C ATOM 353 O ASN A 25 -11.466 11.761 31.545 1.00 62.03 O ATOM 354 CB ASN A 25 -12.143 13.773 34.137 1.00 11.44 C ATOM 355 CG ASN A 25 -12.140 12.888 35.369 1.00 44.40 C ATOM 356 OD1 ASN A 25 -13.180 12.377 35.782 1.00 32.14 O ATOM 357 ND2 ASN A 25 -10.966 12.704 35.962 1.00 45.34 N ATOM 0 H ASN A 25 -11.810 14.326 31.464 1.00 12.14 H new ATOM 0 HA ASN A 25 -10.046 13.562 33.719 1.00 60.33 H new ATOM 0 HB2 ASN A 25 -12.078 14.817 34.443 1.00 11.44 H new ATOM 0 HB3 ASN A 25 -13.090 13.654 33.610 1.00 11.44 H new ATOM 0 HD21 ASN A 25 -10.902 12.119 36.795 1.00 45.34 H new ATOM 0 HD22 ASN A 25 -10.129 13.148 35.584 1.00 45.34 H new ATOM 364 N THR A 26 -10.800 11.066 33.579 1.00 70.43 N ATOM 365 CA THR A 26 -10.869 9.650 33.238 1.00 53.31 C ATOM 366 C THR A 26 -9.705 9.243 32.342 1.00 73.10 C ATOM 367 O THR A 26 -9.903 8.656 31.278 1.00 63.24 O ATOM 368 CB THR A 26 -12.193 9.307 32.528 1.00 2.54 C ATOM 369 OG1 THR A 26 -13.252 10.119 33.048 1.00 1.12 O ATOM 370 CG2 THR A 26 -12.539 7.837 32.709 1.00 4.11 C ATOM 0 H THR A 26 -10.502 11.255 34.536 1.00 70.43 H new ATOM 0 HA THR A 26 -10.814 9.096 34.175 1.00 53.31 H new ATOM 0 HB THR A 26 -12.071 9.507 31.463 1.00 2.54 H new ATOM 0 HG1 THR A 26 -14.090 9.896 32.591 1.00 1.12 H new ATOM 0 HG21 THR A 26 -13.477 7.619 32.199 1.00 4.11 H new ATOM 0 HG22 THR A 26 -11.745 7.222 32.286 1.00 4.11 H new ATOM 0 HG23 THR A 26 -12.643 7.616 33.771 1.00 4.11 H new ATOM 378 N THR A 27 -8.490 9.557 32.779 1.00 3.21 N ATOM 379 CA THR A 27 -7.293 9.224 32.016 1.00 13.14 C ATOM 380 C THR A 27 -7.548 9.337 30.518 1.00 44.24 C ATOM 381 O THR A 27 -7.840 8.345 29.851 1.00 62.54 O ATOM 382 CB THR A 27 -6.802 7.800 32.336 1.00 23.21 C ATOM 383 OG1 THR A 27 -5.846 7.380 31.356 1.00 60.21 O ATOM 384 CG2 THR A 27 -7.965 6.820 32.370 1.00 52.45 C ATOM 0 H THR A 27 -8.308 10.042 33.658 1.00 3.21 H new ATOM 0 HA THR A 27 -6.523 9.939 32.306 1.00 13.14 H new ATOM 0 HB THR A 27 -6.332 7.814 33.319 1.00 23.21 H new ATOM 0 HG1 THR A 27 -6.302 7.214 30.505 1.00 60.21 H new ATOM 0 HG21 THR A 27 -7.593 5.821 32.598 1.00 52.45 H new ATOM 0 HG22 THR A 27 -8.676 7.126 33.137 1.00 52.45 H new ATOM 0 HG23 THR A 27 -8.461 6.810 31.399 1.00 52.45 H new ATOM 392 N VAL A 28 -7.434 10.553 29.993 1.00 51.22 N ATOM 393 CA VAL A 28 -7.650 10.796 28.571 1.00 31.44 C ATOM 394 C VAL A 28 -6.430 11.450 27.934 1.00 64.01 C ATOM 395 O VAL A 28 -5.728 12.234 28.573 1.00 61.21 O ATOM 396 CB VAL A 28 -8.881 11.691 28.335 1.00 20.04 C ATOM 397 CG1 VAL A 28 -9.090 11.930 26.848 1.00 51.21 C ATOM 398 CG2 VAL A 28 -10.119 11.070 28.963 1.00 35.42 C ATOM 0 H VAL A 28 -7.193 11.385 30.531 1.00 51.22 H new ATOM 0 HA VAL A 28 -7.822 9.825 28.107 1.00 31.44 H new ATOM 0 HB VAL A 28 -8.705 12.655 28.812 1.00 20.04 H new ATOM 0 HG11 VAL A 28 -9.964 12.564 26.701 1.00 51.21 H new ATOM 0 HG12 VAL A 28 -8.211 12.421 26.431 1.00 51.21 H new ATOM 0 HG13 VAL A 28 -9.245 10.976 26.344 1.00 51.21 H new ATOM 0 HG21 VAL A 28 -10.979 11.716 28.787 1.00 35.42 H new ATOM 0 HG22 VAL A 28 -10.302 10.092 28.517 1.00 35.42 H new ATOM 0 HG23 VAL A 28 -9.965 10.956 30.036 1.00 35.42 H new ATOM 408 N SER A 29 -6.182 11.123 26.669 1.00 33.15 N ATOM 409 CA SER A 29 -5.044 11.676 25.945 1.00 11.33 C ATOM 410 C SER A 29 -5.455 12.910 25.148 1.00 13.40 C ATOM 411 O SER A 29 -6.546 12.962 24.580 1.00 54.21 O ATOM 412 CB SER A 29 -4.449 10.624 25.008 1.00 41.35 C ATOM 413 OG SER A 29 -4.863 10.841 23.670 1.00 44.34 O ATOM 0 H SER A 29 -6.755 10.478 26.125 1.00 33.15 H new ATOM 0 HA SER A 29 -4.289 11.971 26.674 1.00 11.33 H new ATOM 0 HB2 SER A 29 -3.361 10.655 25.065 1.00 41.35 H new ATOM 0 HB3 SER A 29 -4.757 9.629 25.331 1.00 41.35 H new ATOM 0 HG SER A 29 -4.901 9.984 23.196 1.00 44.34 H new ATOM 419 N LYS A 30 -4.573 13.904 25.110 1.00 35.54 N ATOM 420 CA LYS A 30 -4.842 15.138 24.383 1.00 45.24 C ATOM 421 C LYS A 30 -4.186 15.111 23.005 1.00 15.13 C ATOM 422 O LYS A 30 -3.033 14.706 22.865 1.00 2.24 O ATOM 423 CB LYS A 30 -4.333 16.343 25.177 1.00 13.41 C ATOM 424 CG LYS A 30 -5.412 17.031 25.995 1.00 14.51 C ATOM 425 CD LYS A 30 -6.502 17.610 25.107 1.00 24.33 C ATOM 426 CE LYS A 30 -7.848 16.957 25.380 1.00 31.20 C ATOM 427 NZ LYS A 30 -8.734 16.991 24.183 1.00 2.44 N ATOM 0 H LYS A 30 -3.665 13.878 25.575 1.00 35.54 H new ATOM 0 HA LYS A 30 -5.921 15.226 24.252 1.00 45.24 H new ATOM 0 HB2 LYS A 30 -3.535 16.017 25.844 1.00 13.41 H new ATOM 0 HB3 LYS A 30 -3.896 17.065 24.486 1.00 13.41 H new ATOM 0 HG2 LYS A 30 -5.851 16.318 26.693 1.00 14.51 H new ATOM 0 HG3 LYS A 30 -4.966 17.827 26.591 1.00 14.51 H new ATOM 0 HD2 LYS A 30 -6.577 18.684 25.275 1.00 24.33 H new ATOM 0 HD3 LYS A 30 -6.233 17.469 24.060 1.00 24.33 H new ATOM 0 HE2 LYS A 30 -7.694 15.923 25.689 1.00 31.20 H new ATOM 0 HE3 LYS A 30 -8.338 17.468 26.209 1.00 31.20 H new ATOM 0 HZ1 LYS A 30 -9.641 16.536 24.410 1.00 2.44 H new ATOM 0 HZ2 LYS A 30 -8.902 17.979 23.903 1.00 2.44 H new ATOM 0 HZ3 LYS A 30 -8.278 16.482 23.399 1.00 2.44 H new ATOM 441 N GLN A 31 -4.930 15.546 21.993 1.00 63.21 N ATOM 442 CA GLN A 31 -4.419 15.572 20.627 1.00 34.42 C ATOM 443 C GLN A 31 -3.455 16.736 20.428 1.00 14.51 C ATOM 444 O GLN A 31 -3.762 17.876 20.779 1.00 3.11 O ATOM 445 CB GLN A 31 -5.575 15.674 19.630 1.00 11.44 C ATOM 446 CG GLN A 31 -6.113 14.325 19.181 1.00 44.43 C ATOM 447 CD GLN A 31 -5.479 13.845 17.890 1.00 5.31 C ATOM 448 OE1 GLN A 31 -6.167 13.373 16.985 1.00 61.20 O ATOM 449 NE2 GLN A 31 -4.159 13.964 17.798 1.00 12.15 N ATOM 0 H GLN A 31 -5.887 15.885 22.093 1.00 63.21 H new ATOM 0 HA GLN A 31 -3.877 14.643 20.451 1.00 34.42 H new ATOM 0 HB2 GLN A 31 -6.385 16.246 20.083 1.00 11.44 H new ATOM 0 HB3 GLN A 31 -5.241 16.232 18.755 1.00 11.44 H new ATOM 0 HG2 GLN A 31 -5.936 13.588 19.964 1.00 44.43 H new ATOM 0 HG3 GLN A 31 -7.193 14.395 19.047 1.00 44.43 H new ATOM 0 HE21 GLN A 31 -3.628 14.361 18.573 1.00 12.15 H new ATOM 0 HE22 GLN A 31 -3.677 13.658 16.953 1.00 12.15 H new ATOM 458 N PHE A 32 -2.289 16.443 19.863 1.00 30.11 N ATOM 459 CA PHE A 32 -1.279 17.466 19.618 1.00 30.14 C ATOM 460 C PHE A 32 -0.826 17.446 18.161 1.00 35.13 C ATOM 461 O PHE A 32 -0.792 16.393 17.524 1.00 34.24 O ATOM 462 CB PHE A 32 -0.076 17.256 20.541 1.00 53.03 C ATOM 463 CG PHE A 32 1.102 18.120 20.195 1.00 45.24 C ATOM 464 CD1 PHE A 32 1.000 19.501 20.231 1.00 40.45 C ATOM 465 CD2 PHE A 32 2.313 17.551 19.833 1.00 51.13 C ATOM 466 CE1 PHE A 32 2.083 20.300 19.913 1.00 31.40 C ATOM 467 CE2 PHE A 32 3.399 18.344 19.515 1.00 42.14 C ATOM 468 CZ PHE A 32 3.284 19.720 19.554 1.00 72.04 C ATOM 0 H PHE A 32 -2.020 15.505 19.566 1.00 30.11 H new ATOM 0 HA PHE A 32 -1.724 18.438 19.828 1.00 30.14 H new ATOM 0 HB2 PHE A 32 -0.377 17.460 21.569 1.00 53.03 H new ATOM 0 HB3 PHE A 32 0.226 16.210 20.499 1.00 53.03 H new ATOM 0 HD1 PHE A 32 0.063 19.959 20.511 1.00 40.45 H new ATOM 0 HD2 PHE A 32 2.409 16.476 19.799 1.00 51.13 H new ATOM 0 HE1 PHE A 32 1.990 21.375 19.945 1.00 31.40 H new ATOM 0 HE2 PHE A 32 4.337 17.888 19.236 1.00 42.14 H new ATOM 0 HZ PHE A 32 4.132 20.341 19.304 1.00 72.04 H new ATOM 478 N PHE A 33 -0.480 18.618 17.639 1.00 12.05 N ATOM 479 CA PHE A 33 -0.031 18.737 16.257 1.00 32.32 C ATOM 480 C PHE A 33 1.411 19.233 16.194 1.00 34.54 C ATOM 481 O PHE A 33 1.805 20.124 16.946 1.00 71.24 O ATOM 482 CB PHE A 33 -0.944 19.689 15.482 1.00 11.01 C ATOM 483 CG PHE A 33 -2.133 19.010 14.865 1.00 14.03 C ATOM 484 CD1 PHE A 33 -2.019 18.349 13.653 1.00 23.30 C ATOM 485 CD2 PHE A 33 -3.366 19.032 15.498 1.00 41.52 C ATOM 486 CE1 PHE A 33 -3.112 17.724 13.083 1.00 23.11 C ATOM 487 CE2 PHE A 33 -4.463 18.409 14.933 1.00 65.12 C ATOM 488 CZ PHE A 33 -4.335 17.753 13.724 1.00 22.12 C ATOM 0 H PHE A 33 -0.502 19.499 18.152 1.00 12.05 H new ATOM 0 HA PHE A 33 -0.077 17.748 15.800 1.00 32.32 H new ATOM 0 HB2 PHE A 33 -1.292 20.473 16.154 1.00 11.01 H new ATOM 0 HB3 PHE A 33 -0.365 20.176 14.697 1.00 11.01 H new ATOM 0 HD1 PHE A 33 -1.065 18.322 13.148 1.00 23.30 H new ATOM 0 HD2 PHE A 33 -3.471 19.542 16.444 1.00 41.52 H new ATOM 0 HE1 PHE A 33 -3.010 17.213 12.137 1.00 23.11 H new ATOM 0 HE2 PHE A 33 -5.418 18.435 15.436 1.00 65.12 H new ATOM 0 HZ PHE A 33 -5.190 17.264 13.281 1.00 22.12 H new ATOM 498 N ALA A 34 2.192 18.647 15.293 1.00 44.41 N ATOM 499 CA ALA A 34 3.590 19.030 15.130 1.00 35.23 C ATOM 500 C ALA A 34 3.997 19.009 13.661 1.00 51.11 C ATOM 501 O ALA A 34 4.096 17.946 13.049 1.00 63.43 O ATOM 502 CB ALA A 34 4.487 18.107 15.942 1.00 41.42 C ATOM 0 H ALA A 34 1.881 17.906 14.665 1.00 44.41 H new ATOM 0 HA ALA A 34 3.708 20.049 15.498 1.00 35.23 H new ATOM 0 HB1 ALA A 34 5.528 18.404 15.812 1.00 41.42 H new ATOM 0 HB2 ALA A 34 4.220 18.175 16.997 1.00 41.42 H new ATOM 0 HB3 ALA A 34 4.357 17.080 15.600 1.00 41.42 H new ATOM 508 N VAL A 35 4.231 20.191 13.100 1.00 40.23 N ATOM 509 CA VAL A 35 4.628 20.309 11.702 1.00 60.53 C ATOM 510 C VAL A 35 6.013 20.932 11.574 1.00 25.14 C ATOM 511 O VAL A 35 6.341 21.890 12.273 1.00 41.22 O ATOM 512 CB VAL A 35 3.621 21.155 10.901 1.00 14.24 C ATOM 513 CG1 VAL A 35 3.885 21.030 9.409 1.00 51.34 C ATOM 514 CG2 VAL A 35 2.195 20.743 11.235 1.00 31.21 C ATOM 0 H VAL A 35 4.152 21.081 13.592 1.00 40.23 H new ATOM 0 HA VAL A 35 4.648 19.299 11.294 1.00 60.53 H new ATOM 0 HB VAL A 35 3.748 22.201 11.181 1.00 14.24 H new ATOM 0 HG11 VAL A 35 3.163 21.635 8.860 1.00 51.34 H new ATOM 0 HG12 VAL A 35 4.894 21.379 9.188 1.00 51.34 H new ATOM 0 HG13 VAL A 35 3.787 19.987 9.108 1.00 51.34 H new ATOM 0 HG21 VAL A 35 1.496 21.351 10.660 1.00 31.21 H new ATOM 0 HG22 VAL A 35 2.052 19.692 10.985 1.00 31.21 H new ATOM 0 HG23 VAL A 35 2.013 20.891 12.300 1.00 31.21 H new ATOM 524 N GLY A 36 6.824 20.381 10.676 1.00 23.21 N ATOM 525 CA GLY A 36 8.166 20.896 10.473 1.00 73.02 C ATOM 526 C GLY A 36 8.329 21.572 9.126 1.00 63.53 C ATOM 527 O GLY A 36 7.828 21.083 8.112 1.00 2.42 O ATOM 0 H GLY A 36 6.576 19.587 10.085 1.00 23.21 H new ATOM 0 HA2 GLY A 36 8.403 21.607 11.264 1.00 73.02 H new ATOM 0 HA3 GLY A 36 8.882 20.078 10.555 1.00 73.02 H new ATOM 531 N THR A 37 9.032 22.700 9.113 1.00 53.23 N ATOM 532 CA THR A 37 9.258 23.446 7.881 1.00 34.30 C ATOM 533 C THR A 37 10.733 23.439 7.497 1.00 52.10 C ATOM 534 O THR A 37 11.575 23.970 8.221 1.00 42.30 O ATOM 535 CB THR A 37 8.779 24.904 8.011 1.00 4.23 C ATOM 536 OG1 THR A 37 7.981 25.055 9.191 1.00 64.52 O ATOM 537 CG2 THR A 37 7.973 25.320 6.791 1.00 54.24 C ATOM 0 H THR A 37 9.455 23.117 9.942 1.00 53.23 H new ATOM 0 HA THR A 37 8.680 22.950 7.101 1.00 34.30 H new ATOM 0 HB THR A 37 9.657 25.546 8.082 1.00 4.23 H new ATOM 0 HG1 THR A 37 8.515 24.821 9.979 1.00 64.52 H new ATOM 0 HG21 THR A 37 7.646 26.353 6.906 1.00 54.24 H new ATOM 0 HG22 THR A 37 8.593 25.233 5.899 1.00 54.24 H new ATOM 0 HG23 THR A 37 7.102 24.672 6.692 1.00 54.24 H new ATOM 545 N TYR A 38 11.039 22.835 6.354 1.00 11.50 N ATOM 546 CA TYR A 38 12.414 22.758 5.875 1.00 53.44 C ATOM 547 C TYR A 38 12.863 24.095 5.291 1.00 31.41 C ATOM 548 O TYR A 38 12.068 24.825 4.700 1.00 11.42 O ATOM 549 CB TYR A 38 12.548 21.658 4.821 1.00 54.25 C ATOM 550 CG TYR A 38 12.332 20.265 5.368 1.00 1.42 C ATOM 551 CD1 TYR A 38 12.942 19.860 6.549 1.00 0.22 C ATOM 552 CD2 TYR A 38 11.520 19.354 4.705 1.00 54.53 C ATOM 553 CE1 TYR A 38 12.749 18.589 7.053 1.00 33.42 C ATOM 554 CE2 TYR A 38 11.319 18.081 5.202 1.00 4.40 C ATOM 555 CZ TYR A 38 11.936 17.703 6.376 1.00 2.13 C ATOM 556 OH TYR A 38 11.740 16.435 6.874 1.00 4.33 O ATOM 0 H TYR A 38 10.354 22.392 5.742 1.00 11.50 H new ATOM 0 HA TYR A 38 13.055 22.519 6.724 1.00 53.44 H new ATOM 0 HB2 TYR A 38 11.828 21.841 4.023 1.00 54.25 H new ATOM 0 HB3 TYR A 38 13.541 21.714 4.374 1.00 54.25 H new ATOM 0 HD1 TYR A 38 13.578 20.551 7.082 1.00 0.22 H new ATOM 0 HD2 TYR A 38 11.037 19.646 3.784 1.00 54.53 H new ATOM 0 HE1 TYR A 38 13.232 18.290 7.972 1.00 33.42 H new ATOM 0 HE2 TYR A 38 10.683 17.386 4.674 1.00 4.40 H new ATOM 0 HH TYR A 38 11.141 15.939 6.278 1.00 4.33 H new ATOM 566 N SER A 39 14.144 24.407 5.461 1.00 33.43 N ATOM 567 CA SER A 39 14.700 25.656 4.955 1.00 70.20 C ATOM 568 C SER A 39 14.629 25.704 3.432 1.00 54.32 C ATOM 569 O SER A 39 14.765 26.768 2.827 1.00 75.25 O ATOM 570 CB SER A 39 16.151 25.816 5.414 1.00 35.03 C ATOM 571 OG SER A 39 17.005 24.920 4.726 1.00 63.50 O ATOM 0 H SER A 39 14.816 23.812 5.945 1.00 33.43 H new ATOM 0 HA SER A 39 14.107 26.478 5.356 1.00 70.20 H new ATOM 0 HB2 SER A 39 16.479 26.841 5.242 1.00 35.03 H new ATOM 0 HB3 SER A 39 16.218 25.636 6.487 1.00 35.03 H new ATOM 0 HG SER A 39 17.926 25.043 5.036 1.00 63.50 H new ATOM 577 N ASP A 40 14.415 24.545 2.819 1.00 53.42 N ATOM 578 CA ASP A 40 14.324 24.454 1.366 1.00 10.02 C ATOM 579 C ASP A 40 13.045 25.114 0.859 1.00 23.40 C ATOM 580 O ASP A 40 12.875 25.320 -0.342 1.00 22.42 O ATOM 581 CB ASP A 40 14.369 22.991 0.922 1.00 13.11 C ATOM 582 CG ASP A 40 15.781 22.440 0.885 1.00 13.31 C ATOM 583 OD1 ASP A 40 16.670 23.124 0.336 1.00 34.02 O ATOM 584 OD2 ASP A 40 15.997 21.325 1.404 1.00 34.03 O ATOM 0 H ASP A 40 14.301 23.656 3.305 1.00 53.42 H new ATOM 0 HA ASP A 40 15.177 24.982 0.939 1.00 10.02 H new ATOM 0 HB2 ASP A 40 13.765 22.389 1.601 1.00 13.11 H new ATOM 0 HB3 ASP A 40 13.921 22.901 -0.068 1.00 13.11 H new ATOM 589 N GLY A 41 12.148 25.442 1.783 1.00 33.15 N ATOM 590 CA GLY A 41 10.896 26.073 1.410 1.00 15.44 C ATOM 591 C GLY A 41 9.748 25.086 1.337 1.00 53.15 C ATOM 592 O GLY A 41 8.888 25.185 0.460 1.00 11.44 O ATOM 0 H GLY A 41 12.266 25.282 2.783 1.00 33.15 H new ATOM 0 HA2 GLY A 41 10.656 26.852 2.134 1.00 15.44 H new ATOM 0 HA3 GLY A 41 11.013 26.562 0.443 1.00 15.44 H new ATOM 596 N THR A 42 9.733 24.128 2.258 1.00 71.10 N ATOM 597 CA THR A 42 8.684 23.116 2.292 1.00 2.52 C ATOM 598 C THR A 42 8.105 22.972 3.695 1.00 63.11 C ATOM 599 O THR A 42 8.667 23.480 4.665 1.00 2.34 O ATOM 600 CB THR A 42 9.209 21.747 1.822 1.00 21.21 C ATOM 601 OG1 THR A 42 10.490 21.900 1.201 1.00 50.05 O ATOM 602 CG2 THR A 42 8.239 21.102 0.844 1.00 52.24 C ATOM 0 H THR A 42 10.436 24.031 2.991 1.00 71.10 H new ATOM 0 HA THR A 42 7.901 23.449 1.611 1.00 2.52 H new ATOM 0 HB THR A 42 9.304 21.100 2.694 1.00 21.21 H new ATOM 0 HG1 THR A 42 10.817 21.025 0.907 1.00 50.05 H new ATOM 0 HG21 THR A 42 8.631 20.136 0.526 1.00 52.24 H new ATOM 0 HG22 THR A 42 7.274 20.959 1.330 1.00 52.24 H new ATOM 0 HG23 THR A 42 8.116 21.748 -0.026 1.00 52.24 H new ATOM 610 N LYS A 43 6.979 22.275 3.796 1.00 34.10 N ATOM 611 CA LYS A 43 6.323 22.061 5.081 1.00 64.11 C ATOM 612 C LYS A 43 5.612 20.712 5.111 1.00 60.01 C ATOM 613 O LYS A 43 4.849 20.382 4.204 1.00 71.13 O ATOM 614 CB LYS A 43 5.322 23.184 5.359 1.00 33.01 C ATOM 615 CG LYS A 43 4.137 23.192 4.408 1.00 3.02 C ATOM 616 CD LYS A 43 2.892 22.619 5.064 1.00 60.13 C ATOM 617 CE LYS A 43 2.173 23.664 5.903 1.00 21.43 C ATOM 618 NZ LYS A 43 0.757 23.286 6.165 1.00 34.12 N ATOM 0 H LYS A 43 6.501 21.848 3.003 1.00 34.10 H new ATOM 0 HA LYS A 43 7.089 22.065 5.857 1.00 64.11 H new ATOM 0 HB2 LYS A 43 4.956 23.088 6.381 1.00 33.01 H new ATOM 0 HB3 LYS A 43 5.837 24.143 5.293 1.00 33.01 H new ATOM 0 HG2 LYS A 43 3.940 24.212 4.080 1.00 3.02 H new ATOM 0 HG3 LYS A 43 4.380 22.612 3.518 1.00 3.02 H new ATOM 0 HD2 LYS A 43 2.217 22.240 4.297 1.00 60.13 H new ATOM 0 HD3 LYS A 43 3.168 21.773 5.693 1.00 60.13 H new ATOM 0 HE2 LYS A 43 2.696 23.792 6.851 1.00 21.43 H new ATOM 0 HE3 LYS A 43 2.203 24.625 5.390 1.00 21.43 H new ATOM 0 HZ1 LYS A 43 0.301 24.023 6.740 1.00 34.12 H new ATOM 0 HZ2 LYS A 43 0.251 23.189 5.262 1.00 34.12 H new ATOM 0 HZ3 LYS A 43 0.728 22.381 6.677 1.00 34.12 H new ATOM 632 N ALA A 44 5.866 19.937 6.160 1.00 4.23 N ATOM 633 CA ALA A 44 5.248 18.626 6.310 1.00 75.03 C ATOM 634 C ALA A 44 4.793 18.394 7.747 1.00 63.23 C ATOM 635 O ALA A 44 5.571 18.554 8.687 1.00 25.43 O ATOM 636 CB ALA A 44 6.214 17.534 5.877 1.00 61.43 C ATOM 0 H ALA A 44 6.496 20.195 6.919 1.00 4.23 H new ATOM 0 HA ALA A 44 4.368 18.592 5.668 1.00 75.03 H new ATOM 0 HB1 ALA A 44 5.739 16.560 5.995 1.00 61.43 H new ATOM 0 HB2 ALA A 44 6.485 17.682 4.832 1.00 61.43 H new ATOM 0 HB3 ALA A 44 7.112 17.577 6.494 1.00 61.43 H new ATOM 642 N ASP A 45 3.530 18.017 7.909 1.00 12.13 N ATOM 643 CA ASP A 45 2.972 17.763 9.232 1.00 20.44 C ATOM 644 C ASP A 45 3.449 16.418 9.774 1.00 53.42 C ATOM 645 O ASP A 45 2.761 15.405 9.643 1.00 51.01 O ATOM 646 CB ASP A 45 1.444 17.792 9.179 1.00 13.03 C ATOM 647 CG ASP A 45 0.888 16.970 8.033 1.00 44.33 C ATOM 648 OD1 ASP A 45 0.761 17.518 6.918 1.00 63.11 O ATOM 649 OD2 ASP A 45 0.580 15.780 8.250 1.00 30.44 O ATOM 0 H ASP A 45 2.873 17.880 7.141 1.00 12.13 H new ATOM 0 HA ASP A 45 3.319 18.549 9.903 1.00 20.44 H new ATOM 0 HB2 ASP A 45 1.044 17.415 10.120 1.00 13.03 H new ATOM 0 HB3 ASP A 45 1.106 18.824 9.079 1.00 13.03 H new ATOM 654 N LEU A 46 4.630 16.417 10.381 1.00 22.40 N ATOM 655 CA LEU A 46 5.200 15.196 10.942 1.00 43.52 C ATOM 656 C LEU A 46 5.572 15.393 12.408 1.00 2.00 C ATOM 657 O LEU A 46 6.332 16.299 12.751 1.00 2.35 O ATOM 658 CB LEU A 46 6.434 14.773 10.143 1.00 23.32 C ATOM 659 CG LEU A 46 6.238 13.607 9.174 1.00 64.43 C ATOM 660 CD1 LEU A 46 7.301 13.632 8.086 1.00 3.24 C ATOM 661 CD2 LEU A 46 6.269 12.281 9.921 1.00 53.14 C ATOM 0 H LEU A 46 5.212 17.247 10.498 1.00 22.40 H new ATOM 0 HA LEU A 46 4.447 14.410 10.880 1.00 43.52 H new ATOM 0 HB2 LEU A 46 6.788 15.634 9.577 1.00 23.32 H new ATOM 0 HB3 LEU A 46 7.224 14.507 10.846 1.00 23.32 H new ATOM 0 HG LEU A 46 5.261 13.713 8.702 1.00 64.43 H new ATOM 0 HD11 LEU A 46 7.145 12.795 7.406 1.00 3.24 H new ATOM 0 HD12 LEU A 46 7.232 14.568 7.531 1.00 3.24 H new ATOM 0 HD13 LEU A 46 8.289 13.552 8.540 1.00 3.24 H new ATOM 0 HD21 LEU A 46 6.128 11.462 9.215 1.00 53.14 H new ATOM 0 HD22 LEU A 46 7.231 12.167 10.421 1.00 53.14 H new ATOM 0 HD23 LEU A 46 5.470 12.262 10.663 1.00 53.14 H new ATOM 673 N THR A 47 5.033 14.536 13.270 1.00 1.41 N ATOM 674 CA THR A 47 5.309 14.615 14.699 1.00 32.20 C ATOM 675 C THR A 47 6.588 13.865 15.054 1.00 35.03 C ATOM 676 O THR A 47 7.325 14.268 15.953 1.00 5.22 O ATOM 677 CB THR A 47 4.144 14.042 15.528 1.00 31.31 C ATOM 678 OG1 THR A 47 3.652 12.843 14.919 1.00 62.22 O ATOM 679 CG2 THR A 47 3.016 15.055 15.649 1.00 74.14 C ATOM 0 H THR A 47 4.403 13.779 13.003 1.00 1.41 H new ATOM 0 HA THR A 47 5.432 15.671 14.940 1.00 32.20 H new ATOM 0 HB THR A 47 4.516 13.815 16.527 1.00 31.31 H new ATOM 0 HG1 THR A 47 2.912 12.485 15.453 1.00 62.22 H new ATOM 0 HG21 THR A 47 2.205 14.628 16.239 1.00 74.14 H new ATOM 0 HG22 THR A 47 3.386 15.955 16.140 1.00 74.14 H new ATOM 0 HG23 THR A 47 2.647 15.309 14.655 1.00 74.14 H new ATOM 687 N SER A 48 6.844 12.772 14.343 1.00 44.25 N ATOM 688 CA SER A 48 8.034 11.964 14.585 1.00 34.13 C ATOM 689 C SER A 48 9.301 12.791 14.395 1.00 1.41 C ATOM 690 O SER A 48 10.373 12.425 14.876 1.00 21.25 O ATOM 691 CB SER A 48 8.055 10.755 13.648 1.00 54.13 C ATOM 692 OG SER A 48 8.595 11.099 12.384 1.00 53.53 O ATOM 0 H SER A 48 6.244 12.425 13.595 1.00 44.25 H new ATOM 0 HA SER A 48 8.001 11.614 15.617 1.00 34.13 H new ATOM 0 HB2 SER A 48 8.646 9.955 14.094 1.00 54.13 H new ATOM 0 HB3 SER A 48 7.043 10.371 13.522 1.00 54.13 H new ATOM 0 HG SER A 48 8.599 10.309 11.804 1.00 53.53 H new ATOM 698 N SER A 49 9.170 13.910 13.689 1.00 14.03 N ATOM 699 CA SER A 49 10.304 14.789 13.431 1.00 22.11 C ATOM 700 C SER A 49 10.739 15.504 14.707 1.00 72.21 C ATOM 701 O SER A 49 11.929 15.711 14.941 1.00 5.32 O ATOM 702 CB SER A 49 9.947 15.815 12.354 1.00 13.23 C ATOM 703 OG SER A 49 10.796 15.688 11.227 1.00 54.12 O ATOM 0 H SER A 49 8.289 14.229 13.286 1.00 14.03 H new ATOM 0 HA SER A 49 11.134 14.176 13.078 1.00 22.11 H new ATOM 0 HB2 SER A 49 8.909 15.680 12.049 1.00 13.23 H new ATOM 0 HB3 SER A 49 10.030 16.821 12.764 1.00 13.23 H new ATOM 0 HG SER A 49 11.473 16.397 11.246 1.00 54.12 H new ATOM 709 N VAL A 50 9.764 15.879 15.529 1.00 30.42 N ATOM 710 CA VAL A 50 10.044 16.570 16.782 1.00 21.52 C ATOM 711 C VAL A 50 10.112 15.589 17.947 1.00 23.42 C ATOM 712 O VAL A 50 9.453 14.548 17.938 1.00 44.24 O ATOM 713 CB VAL A 50 8.976 17.637 17.086 1.00 73.33 C ATOM 714 CG1 VAL A 50 8.638 18.426 15.830 1.00 13.33 C ATOM 715 CG2 VAL A 50 7.729 16.991 17.671 1.00 61.52 C ATOM 0 H VAL A 50 8.773 15.716 15.350 1.00 30.42 H new ATOM 0 HA VAL A 50 11.011 17.058 16.664 1.00 21.52 H new ATOM 0 HB VAL A 50 9.379 18.330 17.825 1.00 73.33 H new ATOM 0 HG11 VAL A 50 7.882 19.175 16.064 1.00 13.33 H new ATOM 0 HG12 VAL A 50 9.536 18.920 15.458 1.00 13.33 H new ATOM 0 HG13 VAL A 50 8.254 17.749 15.067 1.00 13.33 H new ATOM 0 HG21 VAL A 50 6.985 17.760 17.880 1.00 61.52 H new ATOM 0 HG22 VAL A 50 7.321 16.275 16.957 1.00 61.52 H new ATOM 0 HG23 VAL A 50 7.986 16.475 18.596 1.00 61.52 H new ATOM 725 N THR A 51 10.914 15.927 18.952 1.00 21.24 N ATOM 726 CA THR A 51 11.069 15.076 20.126 1.00 45.15 C ATOM 727 C THR A 51 10.122 15.501 21.242 1.00 62.41 C ATOM 728 O THR A 51 9.945 16.691 21.499 1.00 54.35 O ATOM 729 CB THR A 51 12.516 15.108 20.655 1.00 54.10 C ATOM 730 OG1 THR A 51 13.436 15.192 19.561 1.00 21.52 O ATOM 731 CG2 THR A 51 12.816 13.868 21.484 1.00 40.24 C ATOM 0 H THR A 51 11.466 16.784 18.977 1.00 21.24 H new ATOM 0 HA THR A 51 10.826 14.060 19.815 1.00 45.15 H new ATOM 0 HB THR A 51 12.628 15.986 21.291 1.00 54.10 H new ATOM 0 HG1 THR A 51 14.353 15.214 19.906 1.00 21.52 H new ATOM 0 HG21 THR A 51 13.843 13.913 21.847 1.00 40.24 H new ATOM 0 HG22 THR A 51 12.133 13.823 22.332 1.00 40.24 H new ATOM 0 HG23 THR A 51 12.687 12.978 20.868 1.00 40.24 H new ATOM 739 N TRP A 52 9.517 14.520 21.902 1.00 2.14 N ATOM 740 CA TRP A 52 8.588 14.793 22.993 1.00 52.22 C ATOM 741 C TRP A 52 9.212 14.446 24.340 1.00 72.02 C ATOM 742 O TRP A 52 9.714 13.339 24.535 1.00 52.01 O ATOM 743 CB TRP A 52 7.293 14.002 22.797 1.00 5.02 C ATOM 744 CG TRP A 52 6.905 13.844 21.358 1.00 4.22 C ATOM 745 CD1 TRP A 52 5.998 14.596 20.667 1.00 65.43 C ATOM 746 CD2 TRP A 52 7.411 12.873 20.436 1.00 44.23 C ATOM 747 NE1 TRP A 52 5.910 14.150 19.370 1.00 42.11 N ATOM 748 CE2 TRP A 52 6.768 13.095 19.203 1.00 74.04 C ATOM 749 CE3 TRP A 52 8.347 11.840 20.531 1.00 60.44 C ATOM 750 CZ2 TRP A 52 7.030 12.320 18.076 1.00 30.32 C ATOM 751 CZ3 TRP A 52 8.606 11.071 19.412 1.00 61.11 C ATOM 752 CH2 TRP A 52 7.950 11.314 18.198 1.00 44.43 C ATOM 0 H TRP A 52 9.653 13.529 21.701 1.00 2.14 H new ATOM 0 HA TRP A 52 8.359 15.859 22.984 1.00 52.22 H new ATOM 0 HB2 TRP A 52 7.407 13.015 23.245 1.00 5.02 H new ATOM 0 HB3 TRP A 52 6.485 14.503 23.331 1.00 5.02 H new ATOM 0 HD1 TRP A 52 5.433 15.419 21.079 1.00 65.43 H new ATOM 0 HE1 TRP A 52 5.304 14.541 18.649 1.00 42.11 H new ATOM 0 HE3 TRP A 52 8.859 11.646 21.462 1.00 60.44 H new ATOM 0 HZ2 TRP A 52 6.525 12.506 17.139 1.00 30.32 H new ATOM 0 HZ3 TRP A 52 9.327 10.269 19.475 1.00 61.11 H new ATOM 0 HH2 TRP A 52 8.175 10.695 17.342 1.00 44.43 H new ATOM 763 N SER A 53 9.177 15.398 25.267 1.00 50.25 N ATOM 764 CA SER A 53 9.743 15.193 26.595 1.00 52.32 C ATOM 765 C SER A 53 8.857 15.823 27.666 1.00 43.34 C ATOM 766 O SER A 53 8.697 17.043 27.716 1.00 72.34 O ATOM 767 CB SER A 53 11.152 15.785 26.669 1.00 54.10 C ATOM 768 OG SER A 53 12.129 14.764 26.768 1.00 42.02 O ATOM 0 H SER A 53 8.763 16.319 25.123 1.00 50.25 H new ATOM 0 HA SER A 53 9.798 14.120 26.778 1.00 52.32 H new ATOM 0 HB2 SER A 53 11.343 16.390 25.783 1.00 54.10 H new ATOM 0 HB3 SER A 53 11.226 16.449 27.530 1.00 54.10 H new ATOM 0 HG SER A 53 13.021 15.168 26.812 1.00 42.02 H new ATOM 774 N SER A 54 8.284 14.982 28.521 1.00 45.32 N ATOM 775 CA SER A 54 7.412 15.455 29.589 1.00 34.11 C ATOM 776 C SER A 54 8.078 15.283 30.951 1.00 52.42 C ATOM 777 O SER A 54 8.943 14.426 31.127 1.00 30.33 O ATOM 778 CB SER A 54 6.081 14.700 29.561 1.00 42.21 C ATOM 779 OG SER A 54 4.989 15.585 29.744 1.00 62.35 O ATOM 0 H SER A 54 8.408 13.970 28.495 1.00 45.32 H new ATOM 0 HA SER A 54 7.224 16.516 29.427 1.00 34.11 H new ATOM 0 HB2 SER A 54 5.975 14.178 28.610 1.00 42.21 H new ATOM 0 HB3 SER A 54 6.073 13.941 30.343 1.00 42.21 H new ATOM 0 HG SER A 54 5.326 16.483 29.945 1.00 62.35 H new ATOM 785 N SER A 55 7.668 16.106 31.911 1.00 50.20 N ATOM 786 CA SER A 55 8.227 16.049 33.257 1.00 51.34 C ATOM 787 C SER A 55 7.967 14.688 33.896 1.00 42.44 C ATOM 788 O SER A 55 8.871 13.862 34.010 1.00 20.13 O ATOM 789 CB SER A 55 7.629 17.156 34.127 1.00 5.51 C ATOM 790 OG SER A 55 8.459 18.305 34.132 1.00 43.22 O ATOM 0 H SER A 55 6.951 16.820 31.782 1.00 50.20 H new ATOM 0 HA SER A 55 9.304 16.196 33.183 1.00 51.34 H new ATOM 0 HB2 SER A 55 6.639 17.420 33.755 1.00 5.51 H new ATOM 0 HB3 SER A 55 7.500 16.792 35.146 1.00 5.51 H new ATOM 0 HG SER A 55 8.054 18.999 34.694 1.00 43.22 H new ATOM 796 N ASN A 56 6.725 14.464 34.310 1.00 35.02 N ATOM 797 CA ASN A 56 6.344 13.204 34.939 1.00 63.04 C ATOM 798 C ASN A 56 6.586 12.030 33.994 1.00 11.41 C ATOM 799 O ASN A 56 5.959 11.931 32.940 1.00 34.31 O ATOM 800 CB ASN A 56 4.873 13.242 35.357 1.00 40.13 C ATOM 801 CG ASN A 56 4.541 14.464 36.191 1.00 14.10 C ATOM 802 OD1 ASN A 56 5.024 14.613 37.313 1.00 10.43 O ATOM 803 ND2 ASN A 56 3.711 15.345 35.645 1.00 51.43 N ATOM 0 H ASN A 56 5.965 15.138 34.222 1.00 35.02 H new ATOM 0 HA ASN A 56 6.963 13.068 35.826 1.00 63.04 H new ATOM 0 HB2 ASN A 56 4.245 13.231 34.466 1.00 40.13 H new ATOM 0 HB3 ASN A 56 4.636 12.342 35.925 1.00 40.13 H new ATOM 0 HD21 ASN A 56 3.450 16.186 36.159 1.00 51.43 H new ATOM 0 HD22 ASN A 56 3.335 15.180 34.711 1.00 51.43 H new ATOM 810 N GLN A 57 7.499 11.145 34.381 1.00 74.03 N ATOM 811 CA GLN A 57 7.823 9.978 33.568 1.00 12.42 C ATOM 812 C GLN A 57 6.600 9.085 33.387 1.00 25.50 C ATOM 813 O GLN A 57 6.531 8.295 32.445 1.00 30.35 O ATOM 814 CB GLN A 57 8.960 9.183 34.211 1.00 3.01 C ATOM 815 CG GLN A 57 10.282 9.305 33.470 1.00 22.24 C ATOM 816 CD GLN A 57 10.838 7.961 33.043 1.00 32.52 C ATOM 817 OE1 GLN A 57 11.716 7.401 33.701 1.00 50.41 O ATOM 818 NE2 GLN A 57 10.328 7.433 31.936 1.00 13.43 N ATOM 0 H GLN A 57 8.027 11.213 35.251 1.00 74.03 H new ATOM 0 HA GLN A 57 8.143 10.327 32.586 1.00 12.42 H new ATOM 0 HB2 GLN A 57 9.095 9.524 35.237 1.00 3.01 H new ATOM 0 HB3 GLN A 57 8.675 8.132 34.259 1.00 3.01 H new ATOM 0 HG2 GLN A 57 10.144 9.933 32.590 1.00 22.24 H new ATOM 0 HG3 GLN A 57 11.008 9.807 34.110 1.00 22.24 H new ATOM 0 HE21 GLN A 57 9.602 7.931 31.421 1.00 13.43 H new ATOM 0 HE22 GLN A 57 10.663 6.530 31.601 1.00 13.43 H new ATOM 827 N SER A 58 5.639 9.214 34.295 1.00 13.42 N ATOM 828 CA SER A 58 4.420 8.415 34.238 1.00 43.10 C ATOM 829 C SER A 58 3.442 8.988 33.217 1.00 64.14 C ATOM 830 O SER A 58 2.854 8.252 32.425 1.00 33.45 O ATOM 831 CB SER A 58 3.759 8.355 35.616 1.00 1.53 C ATOM 832 OG SER A 58 4.508 7.546 36.507 1.00 50.53 O ATOM 0 H SER A 58 5.680 9.864 35.080 1.00 13.42 H new ATOM 0 HA SER A 58 4.691 7.406 33.929 1.00 43.10 H new ATOM 0 HB2 SER A 58 3.668 9.362 36.023 1.00 1.53 H new ATOM 0 HB3 SER A 58 2.749 7.957 35.521 1.00 1.53 H new ATOM 0 HG SER A 58 4.065 7.526 37.381 1.00 50.53 H new ATOM 838 N GLN A 59 3.275 10.306 33.241 1.00 4.22 N ATOM 839 CA GLN A 59 2.369 10.978 32.318 1.00 15.22 C ATOM 840 C GLN A 59 3.078 11.325 31.014 1.00 42.34 C ATOM 841 O GLN A 59 2.476 11.887 30.099 1.00 65.43 O ATOM 842 CB GLN A 59 1.803 12.247 32.958 1.00 5.35 C ATOM 843 CG GLN A 59 1.093 11.998 34.279 1.00 51.00 C ATOM 844 CD GLN A 59 1.222 13.163 35.240 1.00 24.15 C ATOM 845 OE1 GLN A 59 1.294 14.320 34.826 1.00 45.12 O ATOM 846 NE2 GLN A 59 1.253 12.863 36.534 1.00 74.23 N ATOM 0 H GLN A 59 3.755 10.930 33.890 1.00 4.22 H new ATOM 0 HA GLN A 59 1.549 10.296 32.094 1.00 15.22 H new ATOM 0 HB2 GLN A 59 2.615 12.956 33.120 1.00 5.35 H new ATOM 0 HB3 GLN A 59 1.106 12.715 32.263 1.00 5.35 H new ATOM 0 HG2 GLN A 59 0.037 11.804 34.089 1.00 51.00 H new ATOM 0 HG3 GLN A 59 1.503 11.101 34.744 1.00 51.00 H new ATOM 0 HE21 GLN A 59 1.190 11.890 36.834 1.00 74.23 H new ATOM 0 HE22 GLN A 59 1.339 13.606 37.228 1.00 74.23 H new ATOM 855 N ALA A 60 4.361 10.988 30.936 1.00 63.21 N ATOM 856 CA ALA A 60 5.152 11.262 29.743 1.00 44.32 C ATOM 857 C ALA A 60 4.935 10.190 28.681 1.00 21.51 C ATOM 858 O ALA A 60 5.877 9.518 28.259 1.00 3.44 O ATOM 859 CB ALA A 60 6.628 11.363 30.100 1.00 41.13 C ATOM 0 H ALA A 60 4.875 10.525 31.685 1.00 63.21 H new ATOM 0 HA ALA A 60 4.823 12.216 29.331 1.00 44.32 H new ATOM 0 HB1 ALA A 60 7.207 11.568 29.199 1.00 41.13 H new ATOM 0 HB2 ALA A 60 6.774 12.171 30.817 1.00 41.13 H new ATOM 0 HB3 ALA A 60 6.961 10.423 30.539 1.00 41.13 H new ATOM 865 N LYS A 61 3.687 10.032 28.253 1.00 63.12 N ATOM 866 CA LYS A 61 3.345 9.041 27.240 1.00 60.25 C ATOM 867 C LYS A 61 2.762 9.710 25.999 1.00 41.01 C ATOM 868 O LYS A 61 1.945 10.625 26.101 1.00 52.01 O ATOM 869 CB LYS A 61 2.345 8.029 27.804 1.00 61.14 C ATOM 870 CG LYS A 61 2.759 7.447 29.144 1.00 65.32 C ATOM 871 CD LYS A 61 2.760 5.927 29.116 1.00 41.54 C ATOM 872 CE LYS A 61 3.795 5.353 30.071 1.00 61.35 C ATOM 873 NZ LYS A 61 3.748 3.865 30.109 1.00 23.21 N ATOM 0 H LYS A 61 2.895 10.578 28.592 1.00 63.12 H new ATOM 0 HA LYS A 61 4.259 8.520 26.955 1.00 60.25 H new ATOM 0 HB2 LYS A 61 1.374 8.512 27.912 1.00 61.14 H new ATOM 0 HB3 LYS A 61 2.220 7.217 27.088 1.00 61.14 H new ATOM 0 HG2 LYS A 61 3.754 7.808 29.407 1.00 65.32 H new ATOM 0 HG3 LYS A 61 2.078 7.797 29.920 1.00 65.32 H new ATOM 0 HD2 LYS A 61 1.771 5.556 29.384 1.00 41.54 H new ATOM 0 HD3 LYS A 61 2.966 5.581 28.103 1.00 41.54 H new ATOM 0 HE2 LYS A 61 4.790 5.677 29.766 1.00 61.35 H new ATOM 0 HE3 LYS A 61 3.624 5.748 31.072 1.00 61.35 H new ATOM 0 HZ1 LYS A 61 4.468 3.512 30.771 1.00 23.21 H new ATOM 0 HZ2 LYS A 61 2.806 3.555 30.424 1.00 23.21 H new ATOM 0 HZ3 LYS A 61 3.937 3.487 29.159 1.00 23.21 H new ATOM 887 N VAL A 62 3.187 9.247 24.827 1.00 34.15 N ATOM 888 CA VAL A 62 2.705 9.799 23.567 1.00 34.10 C ATOM 889 C VAL A 62 2.682 8.736 22.475 1.00 74.25 C ATOM 890 O VAL A 62 3.645 7.990 22.300 1.00 61.15 O ATOM 891 CB VAL A 62 3.577 10.979 23.101 1.00 3.41 C ATOM 892 CG1 VAL A 62 3.120 12.273 23.757 1.00 51.31 C ATOM 893 CG2 VAL A 62 5.044 10.709 23.402 1.00 33.22 C ATOM 0 H VAL A 62 3.864 8.491 24.725 1.00 34.15 H new ATOM 0 HA VAL A 62 1.690 10.155 23.745 1.00 34.10 H new ATOM 0 HB VAL A 62 3.465 11.087 22.022 1.00 3.41 H new ATOM 0 HG11 VAL A 62 3.748 13.096 23.415 1.00 51.31 H new ATOM 0 HG12 VAL A 62 2.083 12.472 23.486 1.00 51.31 H new ATOM 0 HG13 VAL A 62 3.201 12.180 24.840 1.00 51.31 H new ATOM 0 HG21 VAL A 62 5.646 11.553 23.066 1.00 33.22 H new ATOM 0 HG22 VAL A 62 5.176 10.574 24.475 1.00 33.22 H new ATOM 0 HG23 VAL A 62 5.362 9.806 22.881 1.00 33.22 H new ATOM 903 N SER A 63 1.575 8.673 21.741 1.00 32.42 N ATOM 904 CA SER A 63 1.424 7.698 20.667 1.00 44.22 C ATOM 905 C SER A 63 1.867 8.289 19.332 1.00 54.34 C ATOM 906 O SER A 63 1.041 8.595 18.472 1.00 63.51 O ATOM 907 CB SER A 63 -0.029 7.230 20.574 1.00 52.31 C ATOM 908 OG SER A 63 -0.496 6.765 21.828 1.00 14.02 O ATOM 0 H SER A 63 0.770 9.286 21.871 1.00 32.42 H new ATOM 0 HA SER A 63 2.059 6.842 20.895 1.00 44.22 H new ATOM 0 HB2 SER A 63 -0.658 8.051 20.230 1.00 52.31 H new ATOM 0 HB3 SER A 63 -0.111 6.434 19.834 1.00 52.31 H new ATOM 0 HG SER A 63 -1.428 6.473 21.742 1.00 14.02 H new ATOM 914 N ASN A 64 3.176 8.448 19.166 1.00 31.43 N ATOM 915 CA ASN A 64 3.729 9.003 17.937 1.00 64.45 C ATOM 916 C ASN A 64 4.311 7.901 17.056 1.00 73.32 C ATOM 917 O ASN A 64 5.238 7.198 17.455 1.00 64.31 O ATOM 918 CB ASN A 64 4.810 10.036 18.260 1.00 25.20 C ATOM 919 CG ASN A 64 5.720 9.588 19.388 1.00 34.40 C ATOM 920 OD1 ASN A 64 6.406 8.571 19.281 1.00 74.15 O ATOM 921 ND2 ASN A 64 5.728 10.346 20.478 1.00 43.42 N ATOM 0 H ASN A 64 3.873 8.200 19.868 1.00 31.43 H new ATOM 0 HA ASN A 64 2.920 9.491 17.393 1.00 64.45 H new ATOM 0 HB2 ASN A 64 5.407 10.224 17.368 1.00 25.20 H new ATOM 0 HB3 ASN A 64 4.337 10.980 18.531 1.00 25.20 H new ATOM 0 HD21 ASN A 64 6.319 10.094 21.270 1.00 43.42 H new ATOM 0 HD22 ASN A 64 5.143 11.181 20.523 1.00 43.42 H new ATOM 928 N ALA A 65 3.758 7.757 15.856 1.00 44.05 N ATOM 929 CA ALA A 65 4.223 6.743 14.917 1.00 2.21 C ATOM 930 C ALA A 65 3.408 6.772 13.629 1.00 51.52 C ATOM 931 O ALA A 65 3.929 6.504 12.547 1.00 64.43 O ATOM 932 CB ALA A 65 4.156 5.363 15.555 1.00 45.40 C ATOM 0 H ALA A 65 2.988 8.330 15.511 1.00 44.05 H new ATOM 0 HA ALA A 65 5.260 6.965 14.665 1.00 2.21 H new ATOM 0 HB1 ALA A 65 4.506 4.616 14.843 1.00 45.40 H new ATOM 0 HB2 ALA A 65 4.787 5.342 16.443 1.00 45.40 H new ATOM 0 HB3 ALA A 65 3.126 5.142 15.836 1.00 45.40 H new ATOM 938 N SER A 66 2.126 7.100 13.753 1.00 73.03 N ATOM 939 CA SER A 66 1.237 7.160 12.598 1.00 20.21 C ATOM 940 C SER A 66 1.702 8.224 11.609 1.00 1.42 C ATOM 941 O SER A 66 1.832 7.962 10.414 1.00 20.52 O ATOM 942 CB SER A 66 -0.196 7.454 13.046 1.00 40.44 C ATOM 943 OG SER A 66 -1.129 6.677 12.314 1.00 4.54 O ATOM 0 H SER A 66 1.680 7.328 14.641 1.00 73.03 H new ATOM 0 HA SER A 66 1.263 6.191 12.100 1.00 20.21 H new ATOM 0 HB2 SER A 66 -0.298 7.243 14.110 1.00 40.44 H new ATOM 0 HB3 SER A 66 -0.413 8.513 12.909 1.00 40.44 H new ATOM 0 HG SER A 66 -1.974 6.630 12.808 1.00 4.54 H new ATOM 949 N GLU A 67 1.951 9.427 12.118 1.00 51.32 N ATOM 950 CA GLU A 67 2.401 10.532 11.279 1.00 14.34 C ATOM 951 C GLU A 67 2.439 11.836 12.072 1.00 64.21 C ATOM 952 O GLU A 67 3.512 12.352 12.389 1.00 34.13 O ATOM 953 CB GLU A 67 1.482 10.688 10.066 1.00 72.43 C ATOM 954 CG GLU A 67 2.151 10.338 8.747 1.00 11.31 C ATOM 955 CD GLU A 67 2.791 11.541 8.081 1.00 21.21 C ATOM 956 OE1 GLU A 67 2.094 12.562 7.906 1.00 72.04 O ATOM 957 OE2 GLU A 67 3.988 11.461 7.735 1.00 23.05 O ATOM 0 H GLU A 67 1.849 9.661 13.106 1.00 51.32 H new ATOM 0 HA GLU A 67 3.410 10.305 10.935 1.00 14.34 H new ATOM 0 HB2 GLU A 67 0.607 10.052 10.200 1.00 72.43 H new ATOM 0 HB3 GLU A 67 1.125 11.717 10.021 1.00 72.43 H new ATOM 0 HG2 GLU A 67 2.911 9.576 8.920 1.00 11.31 H new ATOM 0 HG3 GLU A 67 1.412 9.904 8.073 1.00 11.31 H new ATOM 964 N THR A 68 1.261 12.364 12.388 1.00 3.44 N ATOM 965 CA THR A 68 1.159 13.608 13.142 1.00 62.23 C ATOM 966 C THR A 68 0.209 13.458 14.324 1.00 23.35 C ATOM 967 O THR A 68 -0.395 14.430 14.776 1.00 14.41 O ATOM 968 CB THR A 68 0.672 14.766 12.251 1.00 42.14 C ATOM 969 OG1 THR A 68 0.728 14.381 10.873 1.00 75.34 O ATOM 970 CG2 THR A 68 1.520 16.010 12.469 1.00 50.20 C ATOM 0 H THR A 68 0.364 11.950 12.134 1.00 3.44 H new ATOM 0 HA THR A 68 2.159 13.838 13.510 1.00 62.23 H new ATOM 0 HB THR A 68 -0.358 14.995 12.523 1.00 42.14 H new ATOM 0 HG1 THR A 68 1.443 14.878 10.423 1.00 75.34 H new ATOM 0 HG21 THR A 68 1.157 16.814 11.829 1.00 50.20 H new ATOM 0 HG22 THR A 68 1.453 16.318 13.512 1.00 50.20 H new ATOM 0 HG23 THR A 68 2.559 15.790 12.222 1.00 50.20 H new ATOM 978 N LYS A 69 0.082 12.233 14.824 1.00 63.25 N ATOM 979 CA LYS A 69 -0.793 11.954 15.956 1.00 3.51 C ATOM 980 C LYS A 69 -0.603 12.992 17.058 1.00 54.22 C ATOM 981 O LYS A 69 -1.394 13.926 17.187 1.00 43.24 O ATOM 982 CB LYS A 69 -0.517 10.554 16.508 1.00 74.35 C ATOM 983 CG LYS A 69 -0.945 9.437 15.571 1.00 30.44 C ATOM 984 CD LYS A 69 -2.442 9.467 15.314 1.00 33.15 C ATOM 985 CE LYS A 69 -2.751 9.575 13.829 1.00 61.10 C ATOM 986 NZ LYS A 69 -4.075 10.209 13.582 1.00 15.13 N ATOM 0 H LYS A 69 0.575 11.417 14.462 1.00 63.25 H new ATOM 0 HA LYS A 69 -1.824 12.003 15.607 1.00 3.51 H new ATOM 0 HB2 LYS A 69 0.549 10.457 16.713 1.00 74.35 H new ATOM 0 HB3 LYS A 69 -1.036 10.438 17.459 1.00 74.35 H new ATOM 0 HG2 LYS A 69 -0.411 9.530 14.625 1.00 30.44 H new ATOM 0 HG3 LYS A 69 -0.668 8.474 16.001 1.00 30.44 H new ATOM 0 HD2 LYS A 69 -2.899 8.563 15.717 1.00 33.15 H new ATOM 0 HD3 LYS A 69 -2.886 10.311 15.841 1.00 33.15 H new ATOM 0 HE2 LYS A 69 -1.972 10.158 13.338 1.00 61.10 H new ATOM 0 HE3 LYS A 69 -2.735 8.581 13.382 1.00 61.10 H new ATOM 0 HZ1 LYS A 69 -4.248 10.264 12.558 1.00 15.13 H new ATOM 0 HZ2 LYS A 69 -4.821 9.639 14.029 1.00 15.13 H new ATOM 0 HZ3 LYS A 69 -4.082 11.167 13.986 1.00 15.13 H new ATOM 1000 N GLY A 70 0.451 12.822 17.850 1.00 11.41 N ATOM 1001 CA GLY A 70 0.725 13.753 18.929 1.00 23.14 C ATOM 1002 C GLY A 70 -0.066 13.436 20.183 1.00 41.30 C ATOM 1003 O GLY A 70 0.142 14.052 21.229 1.00 13.14 O ATOM 0 H GLY A 70 1.120 12.057 17.764 1.00 11.41 H new ATOM 0 HA2 GLY A 70 1.790 13.733 19.160 1.00 23.14 H new ATOM 0 HA3 GLY A 70 0.489 14.765 18.600 1.00 23.14 H new ATOM 1007 N LEU A 71 -0.977 12.475 20.079 1.00 42.04 N ATOM 1008 CA LEU A 71 -1.804 12.078 21.213 1.00 51.51 C ATOM 1009 C LEU A 71 -0.942 11.762 22.431 1.00 14.41 C ATOM 1010 O LEU A 71 -0.131 10.837 22.408 1.00 72.43 O ATOM 1011 CB LEU A 71 -2.656 10.862 20.847 1.00 32.12 C ATOM 1012 CG LEU A 71 -3.402 10.941 19.515 1.00 54.12 C ATOM 1013 CD1 LEU A 71 -3.183 9.673 18.704 1.00 11.30 C ATOM 1014 CD2 LEU A 71 -4.888 11.177 19.749 1.00 65.25 C ATOM 0 H LEU A 71 -1.162 11.956 19.221 1.00 42.04 H new ATOM 0 HA LEU A 71 -2.460 12.912 21.462 1.00 51.51 H new ATOM 0 HB2 LEU A 71 -2.010 9.984 20.827 1.00 32.12 H new ATOM 0 HB3 LEU A 71 -3.386 10.703 21.641 1.00 32.12 H new ATOM 0 HG LEU A 71 -3.005 11.783 18.948 1.00 54.12 H new ATOM 0 HD11 LEU A 71 -3.722 9.748 17.759 1.00 11.30 H new ATOM 0 HD12 LEU A 71 -2.119 9.547 18.506 1.00 11.30 H new ATOM 0 HD13 LEU A 71 -3.552 8.814 19.265 1.00 11.30 H new ATOM 0 HD21 LEU A 71 -5.403 11.231 18.790 1.00 65.25 H new ATOM 0 HD22 LEU A 71 -5.299 10.356 20.336 1.00 65.25 H new ATOM 0 HD23 LEU A 71 -5.027 12.114 20.288 1.00 65.25 H new ATOM 1026 N VAL A 72 -1.125 12.537 23.496 1.00 34.41 N ATOM 1027 CA VAL A 72 -0.367 12.337 24.726 1.00 54.45 C ATOM 1028 C VAL A 72 -1.275 11.884 25.863 1.00 31.43 C ATOM 1029 O VAL A 72 -2.187 12.604 26.271 1.00 3.20 O ATOM 1030 CB VAL A 72 0.364 13.625 25.149 1.00 14.21 C ATOM 1031 CG1 VAL A 72 -0.626 14.765 25.334 1.00 53.21 C ATOM 1032 CG2 VAL A 72 1.162 13.390 26.422 1.00 20.24 C ATOM 0 H VAL A 72 -1.791 13.309 23.532 1.00 34.41 H new ATOM 0 HA VAL A 72 0.370 11.560 24.522 1.00 54.45 H new ATOM 0 HB VAL A 72 1.059 13.904 24.357 1.00 14.21 H new ATOM 0 HG11 VAL A 72 -0.091 15.667 25.633 1.00 53.21 H new ATOM 0 HG12 VAL A 72 -1.150 14.948 24.396 1.00 53.21 H new ATOM 0 HG13 VAL A 72 -1.348 14.499 26.106 1.00 53.21 H new ATOM 0 HG21 VAL A 72 1.672 14.310 26.707 1.00 20.24 H new ATOM 0 HG22 VAL A 72 0.488 13.086 27.223 1.00 20.24 H new ATOM 0 HG23 VAL A 72 1.899 12.605 26.250 1.00 20.24 H new ATOM 1042 N THR A 73 -1.020 10.683 26.374 1.00 63.11 N ATOM 1043 CA THR A 73 -1.814 10.132 27.465 1.00 64.44 C ATOM 1044 C THR A 73 -1.096 10.288 28.801 1.00 54.44 C ATOM 1045 O THR A 73 0.132 10.318 28.857 1.00 42.21 O ATOM 1046 CB THR A 73 -2.126 8.641 27.234 1.00 20.15 C ATOM 1047 OG1 THR A 73 -2.385 8.403 25.846 1.00 3.23 O ATOM 1048 CG2 THR A 73 -3.327 8.206 28.061 1.00 24.31 C ATOM 0 H THR A 73 -0.269 10.073 26.049 1.00 63.11 H new ATOM 0 HA THR A 73 -2.749 10.692 27.491 1.00 64.44 H new ATOM 0 HB THR A 73 -1.259 8.059 27.546 1.00 20.15 H new ATOM 0 HG1 THR A 73 -2.581 7.453 25.708 1.00 3.23 H new ATOM 0 HG21 THR A 73 -3.529 7.150 27.882 1.00 24.31 H new ATOM 0 HG22 THR A 73 -3.115 8.361 29.119 1.00 24.31 H new ATOM 0 HG23 THR A 73 -4.198 8.795 27.775 1.00 24.31 H new ATOM 1056 N GLY A 74 -1.872 10.388 29.876 1.00 74.22 N ATOM 1057 CA GLY A 74 -1.293 10.540 31.197 1.00 23.25 C ATOM 1058 C GLY A 74 -1.678 9.411 32.133 1.00 15.30 C ATOM 1059 O GLY A 74 -2.664 8.712 31.899 1.00 73.44 O ATOM 0 H GLY A 74 -2.892 10.366 29.855 1.00 74.22 H new ATOM 0 HA2 GLY A 74 -0.207 10.583 31.112 1.00 23.25 H new ATOM 0 HA3 GLY A 74 -1.616 11.489 31.625 1.00 23.25 H new ATOM 1063 N ILE A 75 -0.900 9.232 33.194 1.00 5.45 N ATOM 1064 CA ILE A 75 -1.165 8.180 34.168 1.00 51.43 C ATOM 1065 C ILE A 75 -1.677 8.763 35.481 1.00 62.31 C ATOM 1066 O ILE A 75 -2.639 8.261 36.061 1.00 51.00 O ATOM 1067 CB ILE A 75 0.096 7.341 34.448 1.00 54.31 C ATOM 1068 CG1 ILE A 75 0.569 6.649 33.168 1.00 35.32 C ATOM 1069 CG2 ILE A 75 -0.181 6.318 35.539 1.00 1.13 C ATOM 1070 CD1 ILE A 75 -0.413 5.629 32.635 1.00 72.11 C ATOM 0 H ILE A 75 -0.080 9.802 33.402 1.00 5.45 H new ATOM 0 HA ILE A 75 -1.931 7.536 33.736 1.00 51.43 H new ATOM 0 HB ILE A 75 0.888 8.005 34.793 1.00 54.31 H new ATOM 0 HG12 ILE A 75 0.749 7.403 32.402 1.00 35.32 H new ATOM 0 HG13 ILE A 75 1.522 6.157 33.361 1.00 35.32 H new ATOM 0 HG21 ILE A 75 0.719 5.733 35.726 1.00 1.13 H new ATOM 0 HG22 ILE A 75 -0.476 6.832 36.454 1.00 1.13 H new ATOM 0 HG23 ILE A 75 -0.985 5.655 35.220 1.00 1.13 H new ATOM 0 HD11 ILE A 75 -0.013 5.178 31.727 1.00 72.11 H new ATOM 0 HD12 ILE A 75 -0.575 4.854 33.384 1.00 72.11 H new ATOM 0 HD13 ILE A 75 -1.360 6.119 32.410 1.00 72.11 H new ATOM 1082 N ALA A 76 -1.027 9.826 35.943 1.00 31.03 N ATOM 1083 CA ALA A 76 -1.419 10.480 37.186 1.00 65.41 C ATOM 1084 C ALA A 76 -1.766 11.945 36.949 1.00 12.44 C ATOM 1085 O ALA A 76 -1.426 12.514 35.912 1.00 2.43 O ATOM 1086 CB ALA A 76 -0.308 10.359 38.219 1.00 64.45 C ATOM 0 H ALA A 76 -0.227 10.253 35.476 1.00 31.03 H new ATOM 0 HA ALA A 76 -2.310 9.980 37.566 1.00 65.41 H new ATOM 0 HB1 ALA A 76 -0.614 10.852 39.142 1.00 64.45 H new ATOM 0 HB2 ALA A 76 -0.110 9.306 38.418 1.00 64.45 H new ATOM 0 HB3 ALA A 76 0.597 10.833 37.838 1.00 64.45 H new ATOM 1092 N SER A 77 -2.447 12.551 37.917 1.00 4.13 N ATOM 1093 CA SER A 77 -2.844 13.950 37.812 1.00 54.00 C ATOM 1094 C SER A 77 -1.668 14.874 38.114 1.00 33.55 C ATOM 1095 O SER A 77 -0.709 14.479 38.776 1.00 41.11 O ATOM 1096 CB SER A 77 -4.000 14.247 38.769 1.00 11.14 C ATOM 1097 OG SER A 77 -3.952 15.587 39.227 1.00 42.42 O ATOM 0 H SER A 77 -2.735 12.095 38.783 1.00 4.13 H new ATOM 0 HA SER A 77 -3.172 14.133 36.789 1.00 54.00 H new ATOM 0 HB2 SER A 77 -4.949 14.066 38.265 1.00 11.14 H new ATOM 0 HB3 SER A 77 -3.956 13.567 39.620 1.00 11.14 H new ATOM 0 HG SER A 77 -4.702 15.752 39.836 1.00 42.42 H new ATOM 1103 N GLY A 78 -1.751 16.107 37.624 1.00 23.31 N ATOM 1104 CA GLY A 78 -0.688 17.068 37.851 1.00 4.14 C ATOM 1105 C GLY A 78 -0.516 18.028 36.691 1.00 63.32 C ATOM 1106 O GLY A 78 -1.496 18.490 36.109 1.00 40.21 O ATOM 0 H GLY A 78 -2.535 16.457 37.074 1.00 23.31 H new ATOM 0 HA2 GLY A 78 -0.902 17.634 38.758 1.00 4.14 H new ATOM 0 HA3 GLY A 78 0.248 16.536 38.020 1.00 4.14 H new ATOM 1110 N ASN A 79 0.734 18.329 36.354 1.00 2.13 N ATOM 1111 CA ASN A 79 1.031 19.242 35.257 1.00 42.34 C ATOM 1112 C ASN A 79 1.813 18.533 34.155 1.00 73.20 C ATOM 1113 O ASN A 79 2.988 18.812 33.915 1.00 75.23 O ATOM 1114 CB ASN A 79 1.826 20.445 35.768 1.00 44.54 C ATOM 1115 CG ASN A 79 1.988 21.522 34.712 1.00 14.41 C ATOM 1116 OD1 ASN A 79 1.165 21.646 33.805 1.00 72.03 O ATOM 1117 ND2 ASN A 79 3.052 22.308 34.827 1.00 41.15 N ATOM 0 H ASN A 79 1.557 17.954 36.825 1.00 2.13 H new ATOM 0 HA ASN A 79 0.085 19.590 34.841 1.00 42.34 H new ATOM 0 HB2 ASN A 79 1.323 20.866 36.638 1.00 44.54 H new ATOM 0 HB3 ASN A 79 2.810 20.113 36.098 1.00 44.54 H new ATOM 0 HD21 ASN A 79 3.213 23.051 34.147 1.00 41.15 H new ATOM 0 HD22 ASN A 79 3.708 22.169 35.595 1.00 41.15 H new ATOM 1124 N PRO A 80 1.146 17.593 33.468 1.00 3.01 N ATOM 1125 CA PRO A 80 1.758 16.825 32.380 1.00 61.22 C ATOM 1126 C PRO A 80 2.023 17.679 31.145 1.00 51.02 C ATOM 1127 O PRO A 80 1.280 17.620 30.164 1.00 33.25 O ATOM 1128 CB PRO A 80 0.712 15.750 32.073 1.00 41.24 C ATOM 1129 CG PRO A 80 -0.581 16.343 32.515 1.00 51.03 C ATOM 1130 CD PRO A 80 -0.256 17.208 33.701 1.00 50.44 C ATOM 0 HA PRO A 80 2.732 16.424 32.662 1.00 61.22 H new ATOM 0 HB2 PRO A 80 0.694 15.507 31.011 1.00 41.24 H new ATOM 0 HB3 PRO A 80 0.927 14.825 32.608 1.00 41.24 H new ATOM 0 HG2 PRO A 80 -1.034 16.930 31.716 1.00 51.03 H new ATOM 0 HG3 PRO A 80 -1.296 15.565 32.784 1.00 51.03 H new ATOM 0 HD2 PRO A 80 -0.909 18.079 33.754 1.00 50.44 H new ATOM 0 HD3 PRO A 80 -0.373 16.665 34.639 1.00 50.44 H new ATOM 1138 N THR A 81 3.087 18.474 31.198 1.00 62.14 N ATOM 1139 CA THR A 81 3.450 19.341 30.084 1.00 73.14 C ATOM 1140 C THR A 81 4.380 18.626 29.111 1.00 42.04 C ATOM 1141 O THR A 81 5.436 18.126 29.501 1.00 52.23 O ATOM 1142 CB THR A 81 4.132 20.631 30.575 1.00 4.31 C ATOM 1143 OG1 THR A 81 3.268 21.329 31.479 1.00 25.01 O ATOM 1144 CG2 THR A 81 4.487 21.536 29.404 1.00 34.33 C ATOM 0 H THR A 81 3.713 18.535 32.001 1.00 62.14 H new ATOM 0 HA THR A 81 2.524 19.601 29.572 1.00 73.14 H new ATOM 0 HB THR A 81 5.051 20.355 31.092 1.00 4.31 H new ATOM 0 HG1 THR A 81 3.710 22.147 31.788 1.00 25.01 H new ATOM 0 HG21 THR A 81 4.968 22.441 29.776 1.00 34.33 H new ATOM 0 HG22 THR A 81 5.168 21.013 28.733 1.00 34.33 H new ATOM 0 HG23 THR A 81 3.579 21.804 28.863 1.00 34.33 H new ATOM 1152 N ILE A 82 3.983 18.582 27.844 1.00 72.35 N ATOM 1153 CA ILE A 82 4.783 17.929 26.815 1.00 42.12 C ATOM 1154 C ILE A 82 5.612 18.945 26.036 1.00 1.14 C ATOM 1155 O ILE A 82 5.067 19.807 25.345 1.00 24.43 O ATOM 1156 CB ILE A 82 3.900 17.141 25.830 1.00 53.35 C ATOM 1157 CG1 ILE A 82 3.115 16.056 26.570 1.00 63.14 C ATOM 1158 CG2 ILE A 82 4.751 16.529 24.728 1.00 65.23 C ATOM 1159 CD1 ILE A 82 3.986 14.943 27.110 1.00 1.41 C ATOM 0 H ILE A 82 3.112 18.991 27.505 1.00 72.35 H new ATOM 0 HA ILE A 82 5.450 17.235 27.327 1.00 42.12 H new ATOM 0 HB ILE A 82 3.189 17.829 25.373 1.00 53.35 H new ATOM 0 HG12 ILE A 82 2.569 16.513 27.396 1.00 63.14 H new ATOM 0 HG13 ILE A 82 2.373 15.631 25.894 1.00 63.14 H new ATOM 0 HG21 ILE A 82 4.112 15.975 24.040 1.00 65.23 H new ATOM 0 HG22 ILE A 82 5.268 17.321 24.186 1.00 65.23 H new ATOM 0 HG23 ILE A 82 5.483 15.852 25.167 1.00 65.23 H new ATOM 0 HD11 ILE A 82 3.363 14.210 27.622 1.00 1.41 H new ATOM 0 HD12 ILE A 82 4.512 14.460 26.286 1.00 1.41 H new ATOM 0 HD13 ILE A 82 4.711 15.356 27.811 1.00 1.41 H new ATOM 1171 N ILE A 83 6.931 18.837 26.152 1.00 64.01 N ATOM 1172 CA ILE A 83 7.836 19.744 25.456 1.00 15.45 C ATOM 1173 C ILE A 83 8.247 19.179 24.102 1.00 64.24 C ATOM 1174 O ILE A 83 8.746 18.057 24.011 1.00 3.54 O ATOM 1175 CB ILE A 83 9.101 20.026 26.289 1.00 55.04 C ATOM 1176 CG1 ILE A 83 8.720 20.442 27.711 1.00 54.31 C ATOM 1177 CG2 ILE A 83 9.943 21.104 25.623 1.00 22.22 C ATOM 1178 CD1 ILE A 83 7.939 21.736 27.773 1.00 12.40 C ATOM 0 H ILE A 83 7.397 18.131 26.721 1.00 64.01 H new ATOM 0 HA ILE A 83 7.294 20.678 25.307 1.00 15.45 H new ATOM 0 HB ILE A 83 9.693 19.112 26.345 1.00 55.04 H new ATOM 0 HG12 ILE A 83 8.129 19.648 28.167 1.00 54.31 H new ATOM 0 HG13 ILE A 83 9.627 20.546 28.306 1.00 54.31 H new ATOM 0 HG21 ILE A 83 10.833 21.293 26.223 1.00 22.22 H new ATOM 0 HG22 ILE A 83 10.239 20.771 24.628 1.00 22.22 H new ATOM 0 HG23 ILE A 83 9.360 22.021 25.540 1.00 22.22 H new ATOM 0 HD11 ILE A 83 7.703 21.969 28.811 1.00 12.40 H new ATOM 0 HD12 ILE A 83 8.536 22.542 27.347 1.00 12.40 H new ATOM 0 HD13 ILE A 83 7.014 21.630 27.206 1.00 12.40 H new ATOM 1190 N ALA A 84 8.037 19.964 23.050 1.00 35.40 N ATOM 1191 CA ALA A 84 8.389 19.543 21.700 1.00 64.12 C ATOM 1192 C ALA A 84 9.628 20.280 21.201 1.00 31.32 C ATOM 1193 O ALA A 84 9.586 21.483 20.942 1.00 75.11 O ATOM 1194 CB ALA A 84 7.220 19.771 20.753 1.00 2.43 C ATOM 0 H ALA A 84 7.625 20.895 23.107 1.00 35.40 H new ATOM 0 HA ALA A 84 8.617 18.478 21.727 1.00 64.12 H new ATOM 0 HB1 ALA A 84 7.498 19.452 19.748 1.00 2.43 H new ATOM 0 HB2 ALA A 84 6.359 19.194 21.092 1.00 2.43 H new ATOM 0 HB3 ALA A 84 6.964 20.830 20.739 1.00 2.43 H new ATOM 1200 N THR A 85 10.732 19.551 21.069 1.00 32.43 N ATOM 1201 CA THR A 85 11.983 20.135 20.604 1.00 51.33 C ATOM 1202 C THR A 85 12.286 19.715 19.170 1.00 2.11 C ATOM 1203 O THR A 85 12.393 18.526 18.871 1.00 31.50 O ATOM 1204 CB THR A 85 13.163 19.729 21.506 1.00 1.14 C ATOM 1205 OG1 THR A 85 12.698 18.902 22.578 1.00 32.53 O ATOM 1206 CG2 THR A 85 13.859 20.957 22.073 1.00 41.54 C ATOM 0 H THR A 85 10.784 18.554 21.278 1.00 32.43 H new ATOM 0 HA THR A 85 11.861 21.217 20.645 1.00 51.33 H new ATOM 0 HB THR A 85 13.878 19.172 20.901 1.00 1.14 H new ATOM 0 HG1 THR A 85 13.455 18.647 23.146 1.00 32.53 H new ATOM 0 HG21 THR A 85 14.689 20.645 22.707 1.00 41.54 H new ATOM 0 HG22 THR A 85 14.238 21.571 21.256 1.00 41.54 H new ATOM 0 HG23 THR A 85 13.150 21.537 22.664 1.00 41.54 H new ATOM 1214 N TYR A 86 12.425 20.698 18.287 1.00 33.04 N ATOM 1215 CA TYR A 86 12.714 20.429 16.884 1.00 43.52 C ATOM 1216 C TYR A 86 13.428 21.613 16.239 1.00 44.42 C ATOM 1217 O TYR A 86 12.852 22.688 16.078 1.00 51.22 O ATOM 1218 CB TYR A 86 11.422 20.123 16.124 1.00 4.33 C ATOM 1219 CG TYR A 86 11.652 19.506 14.763 1.00 10.41 C ATOM 1220 CD1 TYR A 86 12.610 18.516 14.580 1.00 14.22 C ATOM 1221 CD2 TYR A 86 10.912 19.914 13.660 1.00 63.11 C ATOM 1222 CE1 TYR A 86 12.823 17.950 13.338 1.00 5.03 C ATOM 1223 CE2 TYR A 86 11.118 19.352 12.415 1.00 43.32 C ATOM 1224 CZ TYR A 86 12.075 18.371 12.259 1.00 60.00 C ATOM 1225 OH TYR A 86 12.284 17.810 11.020 1.00 42.11 O ATOM 0 H TYR A 86 12.342 21.688 18.518 1.00 33.04 H new ATOM 0 HA TYR A 86 13.371 19.560 16.835 1.00 43.52 H new ATOM 0 HB2 TYR A 86 10.810 19.447 16.721 1.00 4.33 H new ATOM 0 HB3 TYR A 86 10.854 21.045 16.004 1.00 4.33 H new ATOM 0 HD1 TYR A 86 13.198 18.184 15.423 1.00 14.22 H new ATOM 0 HD2 TYR A 86 10.163 20.683 13.778 1.00 63.11 H new ATOM 0 HE1 TYR A 86 13.572 17.182 13.213 1.00 5.03 H new ATOM 0 HE2 TYR A 86 10.533 19.679 11.568 1.00 43.32 H new ATOM 0 HH TYR A 86 11.675 18.217 10.369 1.00 42.11 H new ATOM 1235 N GLY A 87 14.689 21.407 15.870 1.00 22.44 N ATOM 1236 CA GLY A 87 15.463 22.464 15.247 1.00 53.25 C ATOM 1237 C GLY A 87 15.750 23.610 16.196 1.00 10.04 C ATOM 1238 O GLY A 87 16.238 23.398 17.306 1.00 21.33 O ATOM 0 H GLY A 87 15.188 20.526 15.992 1.00 22.44 H new ATOM 0 HA2 GLY A 87 16.405 22.054 14.883 1.00 53.25 H new ATOM 0 HA3 GLY A 87 14.923 22.842 14.379 1.00 53.25 H new ATOM 1242 N SER A 88 15.448 24.829 15.760 1.00 62.44 N ATOM 1243 CA SER A 88 15.682 26.013 16.577 1.00 1.30 C ATOM 1244 C SER A 88 14.385 26.495 17.219 1.00 53.43 C ATOM 1245 O SER A 88 14.351 27.541 17.869 1.00 72.55 O ATOM 1246 CB SER A 88 16.291 27.132 15.729 1.00 23.42 C ATOM 1247 OG SER A 88 17.408 26.663 14.993 1.00 2.15 O ATOM 0 H SER A 88 15.041 25.022 14.845 1.00 62.44 H new ATOM 0 HA SER A 88 16.382 25.745 17.369 1.00 1.30 H new ATOM 0 HB2 SER A 88 15.539 27.524 15.044 1.00 23.42 H new ATOM 0 HB3 SER A 88 16.596 27.956 16.374 1.00 23.42 H new ATOM 0 HG SER A 88 17.778 27.396 14.458 1.00 2.15 H new ATOM 1253 N VAL A 89 13.317 25.725 17.031 1.00 4.54 N ATOM 1254 CA VAL A 89 12.017 26.072 17.592 1.00 31.10 C ATOM 1255 C VAL A 89 11.462 24.932 18.438 1.00 73.40 C ATOM 1256 O VAL A 89 11.640 23.758 18.111 1.00 42.42 O ATOM 1257 CB VAL A 89 11.002 26.417 16.485 1.00 24.35 C ATOM 1258 CG1 VAL A 89 9.738 27.011 17.086 1.00 12.05 C ATOM 1259 CG2 VAL A 89 11.621 27.370 15.474 1.00 1.14 C ATOM 0 H VAL A 89 13.327 24.857 16.495 1.00 4.54 H new ATOM 0 HA VAL A 89 12.168 26.948 18.222 1.00 31.10 H new ATOM 0 HB VAL A 89 10.731 25.498 15.965 1.00 24.35 H new ATOM 0 HG11 VAL A 89 9.033 27.248 16.289 1.00 12.05 H new ATOM 0 HG12 VAL A 89 9.286 26.291 17.768 1.00 12.05 H new ATOM 0 HG13 VAL A 89 9.988 27.921 17.632 1.00 12.05 H new ATOM 0 HG21 VAL A 89 10.891 27.603 14.699 1.00 1.14 H new ATOM 0 HG22 VAL A 89 11.922 28.289 15.977 1.00 1.14 H new ATOM 0 HG23 VAL A 89 12.494 26.902 15.020 1.00 1.14 H new ATOM 1269 N SER A 90 10.787 25.284 19.527 1.00 12.44 N ATOM 1270 CA SER A 90 10.208 24.290 20.423 1.00 15.32 C ATOM 1271 C SER A 90 8.928 24.818 21.065 1.00 31.42 C ATOM 1272 O SER A 90 8.774 26.021 21.272 1.00 72.43 O ATOM 1273 CB SER A 90 11.214 23.903 21.508 1.00 31.34 C ATOM 1274 OG SER A 90 11.908 25.040 21.990 1.00 13.52 O ATOM 0 H SER A 90 10.627 26.251 19.810 1.00 12.44 H new ATOM 0 HA SER A 90 9.961 23.406 19.835 1.00 15.32 H new ATOM 0 HB2 SER A 90 10.694 23.414 22.332 1.00 31.34 H new ATOM 0 HB3 SER A 90 11.926 23.182 21.107 1.00 31.34 H new ATOM 0 HG SER A 90 12.544 24.766 22.684 1.00 13.52 H new ATOM 1280 N GLY A 91 8.012 23.907 21.379 1.00 74.41 N ATOM 1281 CA GLY A 91 6.757 24.298 21.994 1.00 32.11 C ATOM 1282 C GLY A 91 6.477 23.538 23.275 1.00 22.52 C ATOM 1283 O GLY A 91 7.320 22.779 23.751 1.00 64.52 O ATOM 0 H GLY A 91 8.117 22.905 21.218 1.00 74.41 H new ATOM 0 HA2 GLY A 91 6.778 25.367 22.207 1.00 32.11 H new ATOM 0 HA3 GLY A 91 5.943 24.129 21.290 1.00 32.11 H new ATOM 1287 N ASN A 92 5.290 23.743 23.836 1.00 31.23 N ATOM 1288 CA ASN A 92 4.902 23.072 25.072 1.00 42.11 C ATOM 1289 C ASN A 92 3.384 23.003 25.200 1.00 75.52 C ATOM 1290 O ASN A 92 2.696 24.022 25.136 1.00 0.32 O ATOM 1291 CB ASN A 92 5.494 23.801 26.280 1.00 40.42 C ATOM 1292 CG ASN A 92 5.352 25.307 26.172 1.00 2.53 C ATOM 1293 OD1 ASN A 92 4.293 25.864 26.460 1.00 13.43 O ATOM 1294 ND2 ASN A 92 6.422 25.974 25.756 1.00 44.13 N ATOM 0 H ASN A 92 4.580 24.368 23.455 1.00 31.23 H new ATOM 0 HA ASN A 92 5.293 22.055 25.042 1.00 42.11 H new ATOM 0 HB2 ASN A 92 4.999 23.456 27.188 1.00 40.42 H new ATOM 0 HB3 ASN A 92 6.549 23.544 26.375 1.00 40.42 H new ATOM 0 HD21 ASN A 92 6.386 26.989 25.664 1.00 44.13 H new ATOM 0 HD22 ASN A 92 7.280 25.471 25.528 1.00 44.13 H new ATOM 1301 N THR A 93 2.865 21.792 25.381 1.00 21.21 N ATOM 1302 CA THR A 93 1.429 21.588 25.517 1.00 15.15 C ATOM 1303 C THR A 93 1.050 21.293 26.964 1.00 11.24 C ATOM 1304 O THR A 93 1.681 20.468 27.625 1.00 63.31 O ATOM 1305 CB THR A 93 0.938 20.433 24.625 1.00 73.23 C ATOM 1306 OG1 THR A 93 1.370 19.179 25.164 1.00 33.25 O ATOM 1307 CG2 THR A 93 1.461 20.587 23.205 1.00 72.45 C ATOM 0 H THR A 93 3.419 20.937 25.437 1.00 21.21 H new ATOM 0 HA THR A 93 0.948 22.513 25.199 1.00 15.15 H new ATOM 0 HB THR A 93 -0.151 20.461 24.600 1.00 73.23 H new ATOM 0 HG1 THR A 93 1.704 19.312 26.075 1.00 33.25 H new ATOM 0 HG21 THR A 93 1.101 19.760 22.593 1.00 72.45 H new ATOM 0 HG22 THR A 93 1.106 21.529 22.787 1.00 72.45 H new ATOM 0 HG23 THR A 93 2.551 20.583 23.216 1.00 72.45 H new ATOM 1315 N ILE A 94 0.016 21.972 27.451 1.00 62.24 N ATOM 1316 CA ILE A 94 -0.447 21.780 28.819 1.00 1.33 C ATOM 1317 C ILE A 94 -1.777 21.035 28.850 1.00 22.24 C ATOM 1318 O ILE A 94 -2.726 21.407 28.160 1.00 54.40 O ATOM 1319 CB ILE A 94 -0.608 23.125 29.553 1.00 42.04 C ATOM 1320 CG1 ILE A 94 -1.391 24.113 28.686 1.00 40.04 C ATOM 1321 CG2 ILE A 94 0.754 23.696 29.917 1.00 65.11 C ATOM 1322 CD1 ILE A 94 -1.795 25.373 29.419 1.00 22.44 C ATOM 0 H ILE A 94 -0.516 22.660 26.918 1.00 62.24 H new ATOM 0 HA ILE A 94 0.312 21.186 29.328 1.00 1.33 H new ATOM 0 HB ILE A 94 -1.167 22.955 30.473 1.00 42.04 H new ATOM 0 HG12 ILE A 94 -0.785 24.384 27.821 1.00 40.04 H new ATOM 0 HG13 ILE A 94 -2.286 23.620 28.306 1.00 40.04 H new ATOM 0 HG21 ILE A 94 0.624 24.646 30.435 1.00 65.11 H new ATOM 0 HG22 ILE A 94 1.279 22.997 30.568 1.00 65.11 H new ATOM 0 HG23 ILE A 94 1.336 23.854 29.009 1.00 65.11 H new ATOM 0 HD11 ILE A 94 -2.346 26.027 28.743 1.00 22.44 H new ATOM 0 HD12 ILE A 94 -2.427 25.113 30.268 1.00 22.44 H new ATOM 0 HD13 ILE A 94 -0.903 25.889 29.775 1.00 22.44 H new ATOM 1334 N LEU A 95 -1.839 19.981 29.657 1.00 71.13 N ATOM 1335 CA LEU A 95 -3.054 19.183 29.780 1.00 31.13 C ATOM 1336 C LEU A 95 -3.402 18.944 31.246 1.00 21.11 C ATOM 1337 O LEU A 95 -2.534 18.621 32.057 1.00 25.43 O ATOM 1338 CB LEU A 95 -2.884 17.844 29.060 1.00 40.21 C ATOM 1339 CG LEU A 95 -3.901 16.758 29.413 1.00 43.12 C ATOM 1340 CD1 LEU A 95 -5.318 17.260 29.186 1.00 73.23 C ATOM 1341 CD2 LEU A 95 -3.641 15.500 28.598 1.00 75.44 C ATOM 0 H LEU A 95 -1.063 19.660 30.235 1.00 71.13 H new ATOM 0 HA LEU A 95 -3.871 19.736 29.317 1.00 31.13 H new ATOM 0 HB2 LEU A 95 -2.932 18.023 27.986 1.00 40.21 H new ATOM 0 HB3 LEU A 95 -1.886 17.463 29.275 1.00 40.21 H new ATOM 0 HG LEU A 95 -3.790 16.512 30.469 1.00 43.12 H new ATOM 0 HD11 LEU A 95 -6.028 16.474 29.442 1.00 73.23 H new ATOM 0 HD12 LEU A 95 -5.500 18.132 29.814 1.00 73.23 H new ATOM 0 HD13 LEU A 95 -5.443 17.535 28.139 1.00 73.23 H new ATOM 0 HD21 LEU A 95 -4.374 14.738 28.862 1.00 75.44 H new ATOM 0 HD22 LEU A 95 -3.724 15.731 27.536 1.00 75.44 H new ATOM 0 HD23 LEU A 95 -2.639 15.129 28.811 1.00 75.44 H new ATOM 1353 N THR A 96 -4.679 19.103 31.580 1.00 40.14 N ATOM 1354 CA THR A 96 -5.142 18.904 32.947 1.00 74.11 C ATOM 1355 C THR A 96 -5.903 17.590 33.084 1.00 61.12 C ATOM 1356 O THR A 96 -7.019 17.452 32.583 1.00 70.11 O ATOM 1357 CB THR A 96 -6.051 20.060 33.406 1.00 23.13 C ATOM 1358 OG1 THR A 96 -5.408 21.316 33.161 1.00 64.41 O ATOM 1359 CG2 THR A 96 -6.380 19.934 34.886 1.00 34.11 C ATOM 0 H THR A 96 -5.411 19.369 30.922 1.00 40.14 H new ATOM 0 HA THR A 96 -4.255 18.875 33.580 1.00 74.11 H new ATOM 0 HB THR A 96 -6.980 20.011 32.837 1.00 23.13 H new ATOM 0 HG1 THR A 96 -5.916 22.033 33.595 1.00 64.41 H new ATOM 0 HG21 THR A 96 -7.023 20.761 35.188 1.00 34.11 H new ATOM 0 HG22 THR A 96 -6.895 18.990 35.065 1.00 34.11 H new ATOM 0 HG23 THR A 96 -5.458 19.960 35.467 1.00 34.11 H new ATOM 1367 N VAL A 97 -5.292 16.626 33.766 1.00 52.21 N ATOM 1368 CA VAL A 97 -5.913 15.323 33.970 1.00 31.13 C ATOM 1369 C VAL A 97 -6.169 15.062 35.450 1.00 13.34 C ATOM 1370 O VAL A 97 -5.267 15.185 36.278 1.00 72.03 O ATOM 1371 CB VAL A 97 -5.037 14.189 33.405 1.00 54.13 C ATOM 1372 CG1 VAL A 97 -5.069 14.198 31.884 1.00 70.30 C ATOM 1373 CG2 VAL A 97 -3.610 14.312 33.917 1.00 14.42 C ATOM 0 H VAL A 97 -4.368 16.723 34.186 1.00 52.21 H new ATOM 0 HA VAL A 97 -6.863 15.339 33.437 1.00 31.13 H new ATOM 0 HB VAL A 97 -5.440 13.236 33.748 1.00 54.13 H new ATOM 0 HG11 VAL A 97 -4.445 13.390 31.502 1.00 70.30 H new ATOM 0 HG12 VAL A 97 -6.094 14.058 31.541 1.00 70.30 H new ATOM 0 HG13 VAL A 97 -4.691 15.153 31.518 1.00 70.30 H new ATOM 0 HG21 VAL A 97 -3.006 13.503 33.508 1.00 14.42 H new ATOM 0 HG22 VAL A 97 -3.193 15.270 33.606 1.00 14.42 H new ATOM 0 HG23 VAL A 97 -3.607 14.252 35.005 1.00 14.42 H new ATOM 1383 N ASN A 98 -7.406 14.701 35.777 1.00 51.24 N ATOM 1384 CA ASN A 98 -7.782 14.423 37.158 1.00 22.11 C ATOM 1385 C ASN A 98 -7.757 12.923 37.437 1.00 51.11 C ATOM 1386 O ASN A 98 -8.411 12.141 36.747 1.00 70.14 O ATOM 1387 CB ASN A 98 -9.174 14.985 37.453 1.00 21.01 C ATOM 1388 CG ASN A 98 -9.164 16.491 37.630 1.00 43.13 C ATOM 1389 OD1 ASN A 98 -9.033 16.996 38.745 1.00 24.41 O ATOM 1390 ND2 ASN A 98 -9.303 17.217 36.526 1.00 1.05 N ATOM 0 H ASN A 98 -8.165 14.594 35.104 1.00 51.24 H new ATOM 0 HA ASN A 98 -7.056 14.908 37.811 1.00 22.11 H new ATOM 0 HB2 ASN A 98 -9.849 14.722 36.639 1.00 21.01 H new ATOM 0 HB3 ASN A 98 -9.567 14.518 38.356 1.00 21.01 H new ATOM 0 HD21 ASN A 98 -9.304 18.235 36.582 1.00 1.05 H new ATOM 0 HD22 ASN A 98 -9.409 16.756 35.622 1.00 1.05 H new ATOM 1397 N LYS A 99 -6.998 12.528 38.454 1.00 55.42 N ATOM 1398 CA LYS A 99 -6.889 11.123 38.827 1.00 42.12 C ATOM 1399 C LYS A 99 -7.969 10.742 39.834 1.00 60.41 C ATOM 1400 O LYS A 99 -8.322 11.531 40.711 1.00 73.12 O ATOM 1401 CB LYS A 99 -5.505 10.837 39.414 1.00 21.41 C ATOM 1402 CG LYS A 99 -5.219 11.597 40.697 1.00 14.34 C ATOM 1403 CD LYS A 99 -5.584 10.778 41.924 1.00 10.11 C ATOM 1404 CE LYS A 99 -6.019 11.667 43.079 1.00 52.31 C ATOM 1405 NZ LYS A 99 -5.233 11.397 44.314 1.00 24.21 N ATOM 0 H LYS A 99 -6.449 13.162 39.035 1.00 55.42 H new ATOM 0 HA LYS A 99 -7.027 10.522 37.928 1.00 42.12 H new ATOM 0 HB2 LYS A 99 -5.416 9.768 39.607 1.00 21.41 H new ATOM 0 HB3 LYS A 99 -4.746 11.092 38.674 1.00 21.41 H new ATOM 0 HG2 LYS A 99 -4.162 11.862 40.736 1.00 14.34 H new ATOM 0 HG3 LYS A 99 -5.782 12.531 40.701 1.00 14.34 H new ATOM 0 HD2 LYS A 99 -6.388 10.085 41.674 1.00 10.11 H new ATOM 0 HD3 LYS A 99 -4.728 10.176 42.229 1.00 10.11 H new ATOM 0 HE2 LYS A 99 -5.902 12.713 42.796 1.00 52.31 H new ATOM 0 HE3 LYS A 99 -7.078 11.508 43.281 1.00 52.31 H new ATOM 0 HZ1 LYS A 99 -5.560 12.023 45.077 1.00 24.21 H new ATOM 0 HZ2 LYS A 99 -5.364 10.406 44.599 1.00 24.21 H new ATOM 0 HZ3 LYS A 99 -4.225 11.574 44.129 1.00 24.21 H new ATOM 1419 N THR A 100 -8.490 9.525 39.704 1.00 51.40 N ATOM 1420 CA THR A 100 -9.529 9.039 40.602 1.00 15.35 C ATOM 1421 C THR A 100 -9.329 7.564 40.928 1.00 23.32 C ATOM 1422 O THR A 100 -10.289 6.840 41.191 1.00 12.05 O ATOM 1423 CB THR A 100 -10.932 9.233 39.996 1.00 11.21 C ATOM 1424 OG1 THR A 100 -10.902 10.275 39.014 1.00 24.02 O ATOM 1425 CG2 THR A 100 -11.946 9.577 41.077 1.00 40.42 C ATOM 0 H THR A 100 -8.209 8.859 38.985 1.00 51.40 H new ATOM 0 HA THR A 100 -9.453 9.624 41.518 1.00 15.35 H new ATOM 0 HB THR A 100 -11.232 8.298 39.523 1.00 11.21 H new ATOM 0 HG1 THR A 100 -11.797 10.391 38.633 1.00 24.02 H new ATOM 0 HG21 THR A 100 -12.929 9.709 40.625 1.00 40.42 H new ATOM 0 HG22 THR A 100 -11.988 8.769 41.807 1.00 40.42 H new ATOM 0 HG23 THR A 100 -11.648 10.500 41.575 1.00 40.42 H new