USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 607 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 34 ASN : amide:sc= -0.42 K(o=-0.19,f=-1.9!) USER MOD Set 1.2: A 37 SER OG : rot -120:sc= 0.228 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 7 SER OG : rot 49:sc= 0.979 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.694 K(o=-0.69,f=-3.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.5) USER MOD Single : A 24 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.77) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 36 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.5) USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.912 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 142:sc= -3.22! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.02 K(o=1,f=-0.01) USER MOD Single : A 50 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -5.37! C(o=-5.4!,f=-8.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.866 X(o=-0.87,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -120:sc= 0.05 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= -0.171 (180deg=-0.549) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.623 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -148:sc= 0.527 USER MOD Single : A 89 LYS NZ :NH3+ -132:sc= -0.0423 (180deg=-0.868) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 16.138 -0.416 2.083 1.00 13.01 N ATOM 72 CA VAL A 6 15.575 0.636 2.921 1.00 34.34 C ATOM 73 C VAL A 6 16.596 1.136 3.937 1.00 63.55 C ATOM 74 O VAL A 6 16.783 2.341 4.103 1.00 35.23 O ATOM 75 CB VAL A 6 14.321 0.146 3.670 1.00 32.30 C ATOM 76 CG1 VAL A 6 13.679 1.288 4.442 1.00 0.40 C ATOM 77 CG2 VAL A 6 13.329 -0.475 2.698 1.00 61.21 C ATOM 0 HA VAL A 6 15.297 1.454 2.257 1.00 34.34 H new ATOM 0 HB VAL A 6 14.622 -0.619 4.385 1.00 32.30 H new ATOM 0 HG11 VAL A 6 12.795 0.922 4.964 1.00 0.40 H new ATOM 0 HG12 VAL A 6 14.391 1.683 5.167 1.00 0.40 H new ATOM 0 HG13 VAL A 6 13.390 2.078 3.749 1.00 0.40 H new ATOM 0 HG21 VAL A 6 12.449 -0.816 3.244 1.00 61.21 H new ATOM 0 HG22 VAL A 6 13.032 0.268 1.958 1.00 61.21 H new ATOM 0 HG23 VAL A 6 13.795 -1.323 2.195 1.00 61.21 H new ATOM 87 N SER A 7 17.257 0.201 4.613 1.00 73.14 N ATOM 88 CA SER A 7 18.258 0.546 5.615 1.00 43.24 C ATOM 89 C SER A 7 18.985 -0.701 6.109 1.00 14.01 C ATOM 90 O SER A 7 18.395 -1.778 6.207 1.00 2.31 O ATOM 91 CB SER A 7 17.603 1.270 6.793 1.00 62.51 C ATOM 92 OG SER A 7 17.697 2.676 6.644 1.00 74.32 O ATOM 0 H SER A 7 17.117 -0.801 4.485 1.00 73.14 H new ATOM 0 HA SER A 7 18.987 1.210 5.151 1.00 43.24 H new ATOM 0 HB2 SER A 7 16.555 0.978 6.866 1.00 62.51 H new ATOM 0 HB3 SER A 7 18.084 0.967 7.723 1.00 62.51 H new ATOM 0 HG SER A 7 17.413 2.929 5.741 1.00 74.32 H new ATOM 98 N ILE A 8 20.267 -0.547 6.419 1.00 45.01 N ATOM 99 CA ILE A 8 21.075 -1.660 6.904 1.00 14.51 C ATOM 100 C ILE A 8 21.698 -1.337 8.258 1.00 35.31 C ATOM 101 O ILE A 8 21.919 -0.173 8.590 1.00 51.33 O ATOM 102 CB ILE A 8 22.194 -2.019 5.909 1.00 32.12 C ATOM 103 CG1 ILE A 8 21.649 -2.036 4.479 1.00 21.45 C ATOM 104 CG2 ILE A 8 22.806 -3.366 6.265 1.00 42.42 C ATOM 105 CD1 ILE A 8 20.517 -3.019 4.276 1.00 12.41 C ATOM 0 H ILE A 8 20.769 0.337 6.343 1.00 45.01 H new ATOM 0 HA ILE A 8 20.406 -2.514 7.009 1.00 14.51 H new ATOM 0 HB ILE A 8 22.973 -1.260 5.971 1.00 32.12 H new ATOM 0 HG12 ILE A 8 21.302 -1.036 4.219 1.00 21.45 H new ATOM 0 HG13 ILE A 8 22.460 -2.281 3.793 1.00 21.45 H new ATOM 0 HG21 ILE A 8 23.595 -3.607 5.553 1.00 42.42 H new ATOM 0 HG22 ILE A 8 23.225 -3.321 7.270 1.00 42.42 H new ATOM 0 HG23 ILE A 8 22.036 -4.137 6.227 1.00 42.42 H new ATOM 0 HD11 ILE A 8 20.180 -2.977 3.240 1.00 12.41 H new ATOM 0 HD12 ILE A 8 20.865 -4.027 4.504 1.00 12.41 H new ATOM 0 HD13 ILE A 8 19.689 -2.762 4.937 1.00 12.41 H new ATOM 117 N SER A 9 21.980 -2.377 9.036 1.00 33.41 N ATOM 118 CA SER A 9 22.576 -2.205 10.356 1.00 71.53 C ATOM 119 C SER A 9 23.930 -2.905 10.436 1.00 53.55 C ATOM 120 O SER A 9 24.008 -4.133 10.441 1.00 74.10 O ATOM 121 CB SER A 9 21.642 -2.754 11.436 1.00 13.41 C ATOM 122 OG SER A 9 22.285 -2.785 12.699 1.00 53.34 O ATOM 0 H SER A 9 21.805 -3.348 8.775 1.00 33.41 H new ATOM 0 HA SER A 9 22.727 -1.138 10.523 1.00 71.53 H new ATOM 0 HB2 SER A 9 20.746 -2.135 11.495 1.00 13.41 H new ATOM 0 HB3 SER A 9 21.318 -3.759 11.165 1.00 13.41 H new ATOM 0 HG SER A 9 21.667 -3.138 13.372 1.00 53.34 H new ATOM 128 N VAL A 10 24.995 -2.112 10.497 1.00 22.12 N ATOM 129 CA VAL A 10 26.347 -2.653 10.578 1.00 73.12 C ATOM 130 C VAL A 10 26.980 -2.351 11.932 1.00 75.54 C ATOM 131 O VAL A 10 26.904 -1.227 12.427 1.00 33.32 O ATOM 132 CB VAL A 10 27.246 -2.084 9.465 1.00 43.03 C ATOM 133 CG1 VAL A 10 26.688 -2.436 8.094 1.00 13.33 C ATOM 134 CG2 VAL A 10 27.395 -0.578 9.618 1.00 2.14 C ATOM 0 H VAL A 10 24.948 -1.093 10.492 1.00 22.12 H new ATOM 0 HA VAL A 10 26.264 -3.733 10.452 1.00 73.12 H new ATOM 0 HB VAL A 10 28.234 -2.535 9.555 1.00 43.03 H new ATOM 0 HG11 VAL A 10 27.337 -2.025 7.321 1.00 13.33 H new ATOM 0 HG12 VAL A 10 26.639 -3.520 7.989 1.00 13.33 H new ATOM 0 HG13 VAL A 10 25.688 -2.016 7.989 1.00 13.33 H new ATOM 0 HG21 VAL A 10 28.034 -0.193 8.823 1.00 2.14 H new ATOM 0 HG22 VAL A 10 26.414 -0.107 9.556 1.00 2.14 H new ATOM 0 HG23 VAL A 10 27.844 -0.353 10.585 1.00 2.14 H new ATOM 144 N SER A 11 27.605 -3.363 12.525 1.00 35.41 N ATOM 145 CA SER A 11 28.249 -3.208 13.824 1.00 15.21 C ATOM 146 C SER A 11 29.762 -3.357 13.702 1.00 71.24 C ATOM 147 O SER A 11 30.347 -4.364 14.103 1.00 55.33 O ATOM 148 CB SER A 11 27.702 -4.237 14.815 1.00 75.42 C ATOM 149 OG SER A 11 28.136 -3.956 16.134 1.00 34.31 O ATOM 0 H SER A 11 27.679 -4.299 12.127 1.00 35.41 H new ATOM 0 HA SER A 11 28.029 -2.206 14.193 1.00 15.21 H new ATOM 0 HB2 SER A 11 26.613 -4.237 14.780 1.00 75.42 H new ATOM 0 HB3 SER A 11 28.030 -5.235 14.526 1.00 75.42 H new ATOM 0 HG SER A 11 27.772 -4.627 16.748 1.00 34.31 H new ATOM 155 N PRO A 12 30.413 -2.331 13.133 1.00 32.34 N ATOM 156 CA PRO A 12 31.866 -2.323 12.945 1.00 65.25 C ATOM 157 C PRO A 12 32.622 -2.200 14.263 1.00 13.54 C ATOM 158 O PRO A 12 32.356 -1.300 15.061 1.00 3.24 O ATOM 159 CB PRO A 12 32.104 -1.087 12.074 1.00 2.32 C ATOM 160 CG PRO A 12 30.948 -0.192 12.363 1.00 62.43 C ATOM 161 CD PRO A 12 29.780 -1.100 12.632 1.00 12.10 C ATOM 0 HA PRO A 12 32.224 -3.251 12.499 1.00 65.25 H new ATOM 0 HB2 PRO A 12 33.050 -0.605 12.321 1.00 2.32 H new ATOM 0 HB3 PRO A 12 32.147 -1.350 11.017 1.00 2.32 H new ATOM 0 HG2 PRO A 12 31.153 0.445 13.223 1.00 62.43 H new ATOM 0 HG3 PRO A 12 30.744 0.467 11.519 1.00 62.43 H new ATOM 0 HD2 PRO A 12 29.098 -0.671 13.367 1.00 12.10 H new ATOM 0 HD3 PRO A 12 29.199 -1.286 11.729 1.00 12.10 H new ATOM 169 N THR A 13 33.565 -3.109 14.487 1.00 4.14 N ATOM 170 CA THR A 13 34.359 -3.102 15.710 1.00 53.11 C ATOM 171 C THR A 13 35.832 -2.856 15.408 1.00 44.14 C ATOM 172 O THR A 13 36.496 -3.687 14.790 1.00 22.51 O ATOM 173 CB THR A 13 34.219 -4.430 16.478 1.00 13.41 C ATOM 174 OG1 THR A 13 32.854 -4.864 16.461 1.00 64.25 O ATOM 175 CG2 THR A 13 34.688 -4.275 17.917 1.00 43.43 C ATOM 0 H THR A 13 33.798 -3.860 13.837 1.00 4.14 H new ATOM 0 HA THR A 13 33.978 -2.290 16.330 1.00 53.11 H new ATOM 0 HB THR A 13 34.844 -5.176 15.987 1.00 13.41 H new ATOM 0 HG1 THR A 13 32.773 -5.710 16.950 1.00 64.25 H new ATOM 0 HG21 THR A 13 34.580 -5.226 18.439 1.00 43.43 H new ATOM 0 HG22 THR A 13 35.735 -3.972 17.928 1.00 43.43 H new ATOM 0 HG23 THR A 13 34.086 -3.516 18.416 1.00 43.43 H new ATOM 183 N ASN A 14 36.338 -1.708 15.847 1.00 25.34 N ATOM 184 CA ASN A 14 37.735 -1.353 15.624 1.00 61.15 C ATOM 185 C ASN A 14 38.623 -1.911 16.732 1.00 73.01 C ATOM 186 O ASN A 14 38.882 -1.240 17.731 1.00 41.24 O ATOM 187 CB ASN A 14 37.890 0.167 15.547 1.00 45.10 C ATOM 188 CG ASN A 14 37.149 0.881 16.661 1.00 71.23 C ATOM 189 OD1 ASN A 14 36.792 0.275 17.672 1.00 43.44 O ATOM 190 ND2 ASN A 14 36.913 2.175 16.480 1.00 41.13 N ATOM 0 H ASN A 14 35.802 -1.008 16.359 1.00 25.34 H new ATOM 0 HA ASN A 14 38.049 -1.792 14.677 1.00 61.15 H new ATOM 0 HB2 ASN A 14 38.948 0.424 15.595 1.00 45.10 H new ATOM 0 HB3 ASN A 14 37.520 0.519 14.584 1.00 45.10 H new ATOM 0 HD21 ASN A 14 36.417 2.708 17.195 1.00 41.13 H new ATOM 0 HD22 ASN A 14 37.227 2.636 15.626 1.00 41.13 H new ATOM 197 N SER A 15 39.086 -3.143 16.548 1.00 71.22 N ATOM 198 CA SER A 15 39.942 -3.793 17.533 1.00 20.22 C ATOM 199 C SER A 15 41.089 -4.534 16.852 1.00 11.11 C ATOM 200 O SER A 15 41.318 -4.380 15.652 1.00 71.21 O ATOM 201 CB SER A 15 39.126 -4.767 18.386 1.00 41.22 C ATOM 202 OG SER A 15 39.353 -4.548 19.767 1.00 34.14 O ATOM 0 H SER A 15 38.883 -3.711 15.726 1.00 71.22 H new ATOM 0 HA SER A 15 40.363 -3.021 18.177 1.00 20.22 H new ATOM 0 HB2 SER A 15 38.065 -4.648 18.165 1.00 41.22 H new ATOM 0 HB3 SER A 15 39.392 -5.792 18.128 1.00 41.22 H new ATOM 0 HG SER A 15 38.819 -5.181 20.291 1.00 34.14 H new ATOM 208 N THR A 16 41.808 -5.339 17.628 1.00 63.34 N ATOM 209 CA THR A 16 42.932 -6.104 17.102 1.00 42.54 C ATOM 210 C THR A 16 42.564 -7.572 16.925 1.00 72.13 C ATOM 211 O THR A 16 41.714 -8.100 17.642 1.00 71.10 O ATOM 212 CB THR A 16 44.162 -6.002 18.024 1.00 14.11 C ATOM 213 OG1 THR A 16 43.781 -6.271 19.378 1.00 5.22 O ATOM 214 CG2 THR A 16 44.793 -4.621 17.934 1.00 40.10 C ATOM 0 H THR A 16 41.632 -5.478 18.623 1.00 63.34 H new ATOM 0 HA THR A 16 43.179 -5.675 16.131 1.00 42.54 H new ATOM 0 HB THR A 16 44.895 -6.740 17.699 1.00 14.11 H new ATOM 0 HG1 THR A 16 44.568 -6.206 19.958 1.00 5.22 H new ATOM 0 HG21 THR A 16 45.659 -4.573 18.594 1.00 40.10 H new ATOM 0 HG22 THR A 16 45.107 -4.431 16.908 1.00 40.10 H new ATOM 0 HG23 THR A 16 44.065 -3.868 18.236 1.00 40.10 H new ATOM 222 N VAL A 17 43.209 -8.228 15.965 1.00 21.04 N ATOM 223 CA VAL A 17 42.950 -9.637 15.696 1.00 63.35 C ATOM 224 C VAL A 17 44.251 -10.406 15.494 1.00 23.22 C ATOM 225 O VAL A 17 45.270 -9.833 15.110 1.00 50.30 O ATOM 226 CB VAL A 17 42.063 -9.816 14.449 1.00 32.45 C ATOM 227 CG1 VAL A 17 42.824 -9.429 13.191 1.00 4.11 C ATOM 228 CG2 VAL A 17 41.558 -11.248 14.357 1.00 34.31 C ATOM 0 H VAL A 17 43.914 -7.806 15.361 1.00 21.04 H new ATOM 0 HA VAL A 17 42.427 -10.035 16.566 1.00 63.35 H new ATOM 0 HB VAL A 17 41.201 -9.155 14.540 1.00 32.45 H new ATOM 0 HG11 VAL A 17 42.181 -9.562 12.321 1.00 4.11 H new ATOM 0 HG12 VAL A 17 43.132 -8.385 13.258 1.00 4.11 H new ATOM 0 HG13 VAL A 17 43.706 -10.061 13.090 1.00 4.11 H new ATOM 0 HG21 VAL A 17 40.933 -11.357 13.471 1.00 34.31 H new ATOM 0 HG22 VAL A 17 42.406 -11.929 14.289 1.00 34.31 H new ATOM 0 HG23 VAL A 17 40.972 -11.485 15.245 1.00 34.31 H new ATOM 238 N ALA A 18 44.209 -11.708 15.756 1.00 21.41 N ATOM 239 CA ALA A 18 45.384 -12.557 15.601 1.00 31.22 C ATOM 240 C ALA A 18 45.744 -12.733 14.130 1.00 42.21 C ATOM 241 O ALA A 18 44.874 -12.711 13.260 1.00 74.13 O ATOM 242 CB ALA A 18 45.147 -13.911 16.254 1.00 74.13 C ATOM 0 H ALA A 18 43.374 -12.198 16.077 1.00 21.41 H new ATOM 0 HA ALA A 18 46.222 -12.068 16.097 1.00 31.22 H new ATOM 0 HB1 ALA A 18 46.032 -14.534 16.131 1.00 74.13 H new ATOM 0 HB2 ALA A 18 44.946 -13.772 17.316 1.00 74.13 H new ATOM 0 HB3 ALA A 18 44.292 -14.397 15.784 1.00 74.13 H new ATOM 248 N LYS A 19 47.033 -12.906 13.858 1.00 62.21 N ATOM 249 CA LYS A 19 47.510 -13.086 12.492 1.00 71.22 C ATOM 250 C LYS A 19 46.983 -14.389 11.899 1.00 55.23 C ATOM 251 O LYS A 19 46.899 -15.406 12.586 1.00 53.12 O ATOM 252 CB LYS A 19 49.040 -13.081 12.459 1.00 51.02 C ATOM 253 CG LYS A 19 49.664 -14.362 12.984 1.00 31.14 C ATOM 254 CD LYS A 19 51.165 -14.215 13.173 1.00 75.02 C ATOM 255 CE LYS A 19 51.539 -14.170 14.646 1.00 4.42 C ATOM 256 NZ LYS A 19 52.996 -13.927 14.841 1.00 52.03 N ATOM 0 H LYS A 19 47.767 -12.925 14.566 1.00 62.21 H new ATOM 0 HA LYS A 19 47.137 -12.256 11.891 1.00 71.22 H new ATOM 0 HB2 LYS A 19 49.372 -12.919 11.434 1.00 51.02 H new ATOM 0 HB3 LYS A 19 49.405 -12.241 13.049 1.00 51.02 H new ATOM 0 HG2 LYS A 19 49.201 -14.630 13.934 1.00 31.14 H new ATOM 0 HG3 LYS A 19 49.462 -15.177 12.289 1.00 31.14 H new ATOM 0 HD2 LYS A 19 51.677 -15.048 12.692 1.00 75.02 H new ATOM 0 HD3 LYS A 19 51.507 -13.304 12.682 1.00 75.02 H new ATOM 0 HE2 LYS A 19 50.970 -13.383 15.141 1.00 4.42 H new ATOM 0 HE3 LYS A 19 51.261 -15.111 15.120 1.00 4.42 H new ATOM 0 HZ1 LYS A 19 53.211 -13.903 15.858 1.00 52.03 H new ATOM 0 HZ2 LYS A 19 53.539 -14.691 14.390 1.00 52.03 H new ATOM 0 HZ3 LYS A 19 53.257 -13.017 14.411 1.00 52.03 H new ATOM 270 N GLY A 20 46.629 -14.350 10.617 1.00 22.34 N ATOM 271 CA GLY A 20 46.116 -15.534 9.954 1.00 71.44 C ATOM 272 C GLY A 20 44.913 -16.122 10.664 1.00 11.04 C ATOM 273 O GLY A 20 45.058 -16.927 11.585 1.00 65.40 O ATOM 0 H GLY A 20 46.689 -13.520 10.027 1.00 22.34 H new ATOM 0 HA2 GLY A 20 45.842 -15.283 8.929 1.00 71.44 H new ATOM 0 HA3 GLY A 20 46.904 -16.285 9.898 1.00 71.44 H new ATOM 277 N LEU A 21 43.721 -15.718 10.239 1.00 60.20 N ATOM 278 CA LEU A 21 42.487 -16.209 10.842 1.00 12.03 C ATOM 279 C LEU A 21 41.267 -15.588 10.169 1.00 61.35 C ATOM 280 O LEU A 21 41.383 -14.944 9.126 1.00 22.43 O ATOM 281 CB LEU A 21 42.469 -15.899 12.340 1.00 4.50 C ATOM 282 CG LEU A 21 42.155 -17.074 13.266 1.00 73.34 C ATOM 283 CD1 LEU A 21 43.279 -17.280 14.269 1.00 42.23 C ATOM 284 CD2 LEU A 21 40.832 -16.849 13.983 1.00 11.12 C ATOM 0 H LEU A 21 43.583 -15.052 9.479 1.00 60.20 H new ATOM 0 HA LEU A 21 42.448 -17.289 10.700 1.00 12.03 H new ATOM 0 HB2 LEU A 21 43.442 -15.493 12.618 1.00 4.50 H new ATOM 0 HB3 LEU A 21 41.734 -15.115 12.519 1.00 4.50 H new ATOM 0 HG LEU A 21 42.068 -17.976 12.660 1.00 73.34 H new ATOM 0 HD11 LEU A 21 43.037 -18.121 14.919 1.00 42.23 H new ATOM 0 HD12 LEU A 21 44.208 -17.488 13.737 1.00 42.23 H new ATOM 0 HD13 LEU A 21 43.399 -16.379 14.871 1.00 42.23 H new ATOM 0 HD21 LEU A 21 40.625 -17.695 14.638 1.00 11.12 H new ATOM 0 HD22 LEU A 21 40.890 -15.937 14.577 1.00 11.12 H new ATOM 0 HD23 LEU A 21 40.032 -16.754 13.249 1.00 11.12 H new ATOM 296 N GLN A 22 40.100 -15.785 10.772 1.00 34.35 N ATOM 297 CA GLN A 22 38.859 -15.243 10.231 1.00 60.30 C ATOM 298 C GLN A 22 37.961 -14.719 11.347 1.00 44.32 C ATOM 299 O GLN A 22 37.905 -15.295 12.433 1.00 51.14 O ATOM 300 CB GLN A 22 38.119 -16.313 9.425 1.00 3.24 C ATOM 301 CG GLN A 22 38.910 -16.834 8.236 1.00 54.30 C ATOM 302 CD GLN A 22 39.661 -18.113 8.549 1.00 10.54 C ATOM 303 OE1 GLN A 22 39.882 -18.447 9.714 1.00 74.12 O ATOM 304 NE2 GLN A 22 40.059 -18.836 7.509 1.00 13.13 N ATOM 0 H GLN A 22 39.987 -16.316 11.636 1.00 34.35 H new ATOM 0 HA GLN A 22 39.112 -14.412 9.573 1.00 60.30 H new ATOM 0 HB2 GLN A 22 37.875 -17.148 10.082 1.00 3.24 H new ATOM 0 HB3 GLN A 22 37.175 -15.900 9.070 1.00 3.24 H new ATOM 0 HG2 GLN A 22 38.231 -17.011 7.402 1.00 54.30 H new ATOM 0 HG3 GLN A 22 39.618 -16.071 7.913 1.00 54.30 H new ATOM 0 HE21 GLN A 22 39.854 -18.521 6.561 1.00 13.13 H new ATOM 0 HE22 GLN A 22 40.570 -19.706 7.658 1.00 13.13 H new ATOM 313 N GLU A 23 37.262 -13.622 11.071 1.00 20.31 N ATOM 314 CA GLU A 23 36.368 -13.020 12.053 1.00 21.12 C ATOM 315 C GLU A 23 35.025 -12.666 11.421 1.00 31.24 C ATOM 316 O GLU A 23 34.952 -11.834 10.518 1.00 20.40 O ATOM 317 CB GLU A 23 37.007 -11.767 12.656 1.00 75.00 C ATOM 318 CG GLU A 23 36.743 -11.605 14.144 1.00 54.15 C ATOM 319 CD GLU A 23 37.676 -12.442 14.996 1.00 32.43 C ATOM 320 OE1 GLU A 23 37.525 -13.682 15.000 1.00 44.14 O ATOM 321 OE2 GLU A 23 38.557 -11.857 15.660 1.00 21.33 O ATOM 0 H GLU A 23 37.298 -13.133 10.177 1.00 20.31 H new ATOM 0 HA GLU A 23 36.196 -13.749 12.845 1.00 21.12 H new ATOM 0 HB2 GLU A 23 38.083 -11.802 12.488 1.00 75.00 H new ATOM 0 HB3 GLU A 23 36.631 -10.889 12.131 1.00 75.00 H new ATOM 0 HG2 GLU A 23 36.852 -10.555 14.416 1.00 54.15 H new ATOM 0 HG3 GLU A 23 35.712 -11.885 14.359 1.00 54.15 H new ATOM 328 N ASN A 24 33.964 -13.305 11.904 1.00 60.32 N ATOM 329 CA ASN A 24 32.623 -13.059 11.386 1.00 31.41 C ATOM 330 C ASN A 24 32.099 -11.705 11.853 1.00 3.34 C ATOM 331 O ASN A 24 32.328 -11.298 12.993 1.00 44.14 O ATOM 332 CB ASN A 24 31.670 -14.169 11.834 1.00 74.24 C ATOM 333 CG ASN A 24 31.795 -14.477 13.313 1.00 20.52 C ATOM 334 OD1 ASN A 24 32.604 -15.313 13.718 1.00 12.42 O ATOM 335 ND2 ASN A 24 30.992 -13.803 14.128 1.00 5.30 N ATOM 0 H ASN A 24 34.007 -13.996 12.653 1.00 60.32 H new ATOM 0 HA ASN A 24 32.677 -13.052 10.297 1.00 31.41 H new ATOM 0 HB2 ASN A 24 30.644 -13.874 11.613 1.00 74.24 H new ATOM 0 HB3 ASN A 24 31.873 -15.073 11.259 1.00 74.24 H new ATOM 0 HD21 ASN A 24 31.030 -13.969 15.134 1.00 5.30 H new ATOM 0 HD22 ASN A 24 30.337 -13.119 13.748 1.00 5.30 H new ATOM 342 N PHE A 25 31.395 -11.011 10.966 1.00 55.22 N ATOM 343 CA PHE A 25 30.838 -9.702 11.287 1.00 42.44 C ATOM 344 C PHE A 25 29.330 -9.790 11.503 1.00 3.34 C ATOM 345 O PHE A 25 28.749 -10.875 11.473 1.00 1.33 O ATOM 346 CB PHE A 25 31.146 -8.705 10.167 1.00 5.24 C ATOM 347 CG PHE A 25 32.500 -8.065 10.291 1.00 53.14 C ATOM 348 CD1 PHE A 25 32.864 -7.402 11.451 1.00 1.32 C ATOM 349 CD2 PHE A 25 33.407 -8.126 9.245 1.00 23.34 C ATOM 350 CE1 PHE A 25 34.109 -6.812 11.568 1.00 72.10 C ATOM 351 CE2 PHE A 25 34.653 -7.539 9.357 1.00 65.05 C ATOM 352 CZ PHE A 25 35.004 -6.880 10.519 1.00 62.13 C ATOM 0 H PHE A 25 31.196 -11.333 10.019 1.00 55.22 H new ATOM 0 HA PHE A 25 31.300 -9.355 12.211 1.00 42.44 H new ATOM 0 HB2 PHE A 25 31.081 -9.217 9.207 1.00 5.24 H new ATOM 0 HB3 PHE A 25 30.383 -7.926 10.165 1.00 5.24 H new ATOM 0 HD1 PHE A 25 32.167 -7.345 12.274 1.00 1.32 H new ATOM 0 HD2 PHE A 25 33.137 -8.638 8.333 1.00 23.34 H new ATOM 0 HE1 PHE A 25 34.381 -6.299 12.479 1.00 72.10 H new ATOM 0 HE2 PHE A 25 35.352 -7.596 8.536 1.00 65.05 H new ATOM 0 HZ PHE A 25 35.977 -6.419 10.607 1.00 62.13 H new ATOM 362 N LYS A 26 28.702 -8.640 11.723 1.00 41.42 N ATOM 363 CA LYS A 26 27.262 -8.584 11.944 1.00 20.03 C ATOM 364 C LYS A 26 26.592 -7.656 10.936 1.00 32.11 C ATOM 365 O LYS A 26 26.986 -6.500 10.785 1.00 60.21 O ATOM 366 CB LYS A 26 26.962 -8.109 13.368 1.00 22.40 C ATOM 367 CG LYS A 26 26.368 -9.189 14.256 1.00 1.45 C ATOM 368 CD LYS A 26 26.476 -8.822 15.727 1.00 20.12 C ATOM 369 CE LYS A 26 25.258 -9.290 16.509 1.00 23.31 C ATOM 370 NZ LYS A 26 25.638 -10.144 17.669 1.00 43.42 N ATOM 0 H LYS A 26 29.168 -7.733 11.753 1.00 41.42 H new ATOM 0 HA LYS A 26 26.860 -9.588 11.810 1.00 20.03 H new ATOM 0 HB2 LYS A 26 27.883 -7.743 13.822 1.00 22.40 H new ATOM 0 HB3 LYS A 26 26.272 -7.266 13.323 1.00 22.40 H new ATOM 0 HG2 LYS A 26 25.321 -9.342 13.994 1.00 1.45 H new ATOM 0 HG3 LYS A 26 26.883 -10.133 14.077 1.00 1.45 H new ATOM 0 HD2 LYS A 26 27.375 -9.270 16.150 1.00 20.12 H new ATOM 0 HD3 LYS A 26 26.581 -7.742 15.827 1.00 20.12 H new ATOM 0 HE2 LYS A 26 24.699 -8.424 16.863 1.00 23.31 H new ATOM 0 HE3 LYS A 26 24.595 -9.849 15.848 1.00 23.31 H new ATOM 0 HZ1 LYS A 26 24.780 -10.442 18.176 1.00 43.42 H new ATOM 0 HZ2 LYS A 26 26.149 -10.984 17.329 1.00 43.42 H new ATOM 0 HZ3 LYS A 26 26.250 -9.603 18.313 1.00 43.42 H new ATOM 384 N ALA A 27 25.576 -8.170 10.250 1.00 2.20 N ATOM 385 CA ALA A 27 24.849 -7.386 9.259 1.00 3.22 C ATOM 386 C ALA A 27 23.349 -7.639 9.352 1.00 75.42 C ATOM 387 O ALA A 27 22.881 -8.756 9.126 1.00 64.32 O ATOM 388 CB ALA A 27 25.355 -7.704 7.860 1.00 60.11 C ATOM 0 H ALA A 27 25.238 -9.126 10.362 1.00 2.20 H new ATOM 0 HA ALA A 27 25.026 -6.331 9.466 1.00 3.22 H new ATOM 0 HB1 ALA A 27 24.803 -7.112 7.130 1.00 60.11 H new ATOM 0 HB2 ALA A 27 26.416 -7.465 7.794 1.00 60.11 H new ATOM 0 HB3 ALA A 27 25.208 -8.764 7.652 1.00 60.11 H new ATOM 394 N THR A 28 22.596 -6.596 9.687 1.00 41.34 N ATOM 395 CA THR A 28 21.148 -6.706 9.811 1.00 2.11 C ATOM 396 C THR A 28 20.440 -5.799 8.811 1.00 12.15 C ATOM 397 O THR A 28 20.357 -4.587 9.008 1.00 64.32 O ATOM 398 CB THR A 28 20.678 -6.349 11.234 1.00 71.12 C ATOM 399 OG1 THR A 28 21.797 -5.953 12.035 1.00 52.23 O ATOM 400 CG2 THR A 28 19.976 -7.532 11.884 1.00 13.52 C ATOM 0 H THR A 28 22.966 -5.665 9.877 1.00 41.34 H new ATOM 0 HA THR A 28 20.890 -7.744 9.601 1.00 2.11 H new ATOM 0 HB THR A 28 19.972 -5.522 11.163 1.00 71.12 H new ATOM 0 HG1 THR A 28 21.489 -5.726 12.937 1.00 52.23 H new ATOM 0 HG21 THR A 28 19.653 -7.257 12.888 1.00 13.52 H new ATOM 0 HG22 THR A 28 19.108 -7.812 11.288 1.00 13.52 H new ATOM 0 HG23 THR A 28 20.664 -8.376 11.943 1.00 13.52 H new ATOM 408 N GLY A 29 19.928 -6.394 7.738 1.00 24.20 N ATOM 409 CA GLY A 29 19.233 -5.624 6.724 1.00 73.14 C ATOM 410 C GLY A 29 17.729 -5.639 6.914 1.00 0.55 C ATOM 411 O GLY A 29 17.155 -6.659 7.297 1.00 41.23 O ATOM 0 H GLY A 29 19.982 -7.396 7.553 1.00 24.20 H new ATOM 0 HA2 GLY A 29 19.589 -4.594 6.747 1.00 73.14 H new ATOM 0 HA3 GLY A 29 19.476 -6.023 5.739 1.00 73.14 H new ATOM 415 N ILE A 30 17.090 -4.504 6.650 1.00 73.23 N ATOM 416 CA ILE A 30 15.644 -4.391 6.795 1.00 11.13 C ATOM 417 C ILE A 30 15.003 -3.856 5.519 1.00 1.33 C ATOM 418 O ILE A 30 15.255 -2.721 5.114 1.00 12.32 O ATOM 419 CB ILE A 30 15.267 -3.470 7.971 1.00 51.01 C ATOM 420 CG1 ILE A 30 16.126 -2.204 7.951 1.00 21.03 C ATOM 421 CG2 ILE A 30 15.428 -4.206 9.293 1.00 41.42 C ATOM 422 CD1 ILE A 30 15.817 -1.247 9.081 1.00 4.21 C ATOM 0 H ILE A 30 17.551 -3.650 6.335 1.00 73.23 H new ATOM 0 HA ILE A 30 15.267 -5.394 6.994 1.00 11.13 H new ATOM 0 HB ILE A 30 14.222 -3.179 7.865 1.00 51.01 H new ATOM 0 HG12 ILE A 30 17.177 -2.487 8.002 1.00 21.03 H new ATOM 0 HG13 ILE A 30 15.980 -1.691 7.001 1.00 21.03 H new ATOM 0 HG21 ILE A 30 15.158 -3.542 10.114 1.00 41.42 H new ATOM 0 HG22 ILE A 30 14.777 -5.080 9.304 1.00 41.42 H new ATOM 0 HG23 ILE A 30 16.464 -4.523 9.409 1.00 41.42 H new ATOM 0 HD11 ILE A 30 16.463 -0.373 9.004 1.00 4.21 H new ATOM 0 HD12 ILE A 30 14.775 -0.935 9.018 1.00 4.21 H new ATOM 0 HD13 ILE A 30 15.990 -1.743 10.036 1.00 4.21 H new ATOM 434 N PHE A 31 14.172 -4.680 4.890 1.00 30.24 N ATOM 435 CA PHE A 31 13.493 -4.290 3.660 1.00 45.10 C ATOM 436 C PHE A 31 12.027 -4.710 3.691 1.00 70.43 C ATOM 437 O PHE A 31 11.678 -5.749 4.252 1.00 20.44 O ATOM 438 CB PHE A 31 14.189 -4.914 2.449 1.00 64.13 C ATOM 439 CG PHE A 31 15.685 -4.963 2.576 1.00 2.11 C ATOM 440 CD1 PHE A 31 16.425 -3.795 2.659 1.00 2.54 C ATOM 441 CD2 PHE A 31 16.351 -6.177 2.612 1.00 63.40 C ATOM 442 CE1 PHE A 31 17.802 -3.836 2.777 1.00 12.10 C ATOM 443 CE2 PHE A 31 17.728 -6.225 2.730 1.00 75.00 C ATOM 444 CZ PHE A 31 18.454 -5.053 2.811 1.00 12.13 C ATOM 0 H PHE A 31 13.952 -5.623 5.212 1.00 30.24 H new ATOM 0 HA PHE A 31 13.539 -3.204 3.577 1.00 45.10 H new ATOM 0 HB2 PHE A 31 13.811 -5.926 2.305 1.00 64.13 H new ATOM 0 HB3 PHE A 31 13.927 -4.346 1.557 1.00 64.13 H new ATOM 0 HD1 PHE A 31 15.920 -2.841 2.631 1.00 2.54 H new ATOM 0 HD2 PHE A 31 15.788 -7.097 2.547 1.00 63.40 H new ATOM 0 HE1 PHE A 31 18.367 -2.918 2.842 1.00 12.10 H new ATOM 0 HE2 PHE A 31 18.235 -7.178 2.759 1.00 75.00 H new ATOM 0 HZ PHE A 31 19.530 -5.088 2.901 1.00 12.13 H new ATOM 454 N THR A 32 11.171 -3.895 3.083 1.00 53.01 N ATOM 455 CA THR A 32 9.742 -4.180 3.041 1.00 1.14 C ATOM 456 C THR A 32 9.449 -5.399 2.174 1.00 45.54 C ATOM 457 O THR A 32 8.539 -6.175 2.463 1.00 12.44 O ATOM 458 CB THR A 32 8.945 -2.977 2.503 1.00 73.00 C ATOM 459 OG1 THR A 32 9.506 -1.756 2.998 1.00 33.22 O ATOM 460 CG2 THR A 32 7.482 -3.071 2.911 1.00 62.13 C ATOM 0 H THR A 32 11.443 -3.032 2.613 1.00 53.01 H new ATOM 0 HA THR A 32 9.430 -4.384 4.065 1.00 1.14 H new ATOM 0 HB THR A 32 9.004 -2.988 1.415 1.00 73.00 H new ATOM 0 HG1 THR A 32 8.994 -0.996 2.650 1.00 33.22 H new ATOM 0 HG21 THR A 32 6.939 -2.211 2.520 1.00 62.13 H new ATOM 0 HG22 THR A 32 7.050 -3.987 2.508 1.00 62.13 H new ATOM 0 HG23 THR A 32 7.408 -3.083 3.998 1.00 62.13 H new ATOM 468 N ASP A 33 10.227 -5.561 1.109 1.00 22.20 N ATOM 469 CA ASP A 33 10.052 -6.688 0.199 1.00 3.43 C ATOM 470 C ASP A 33 10.833 -7.905 0.685 1.00 12.23 C ATOM 471 O ASP A 33 10.808 -8.962 0.056 1.00 0.24 O ATOM 472 CB ASP A 33 10.504 -6.306 -1.211 1.00 63.32 C ATOM 473 CG ASP A 33 10.101 -7.337 -2.247 1.00 33.31 C ATOM 474 OD1 ASP A 33 9.110 -8.059 -2.010 1.00 21.41 O ATOM 475 OD2 ASP A 33 10.776 -7.423 -3.294 1.00 40.42 O ATOM 0 H ASP A 33 10.984 -4.927 0.855 1.00 22.20 H new ATOM 0 HA ASP A 33 8.993 -6.944 0.176 1.00 3.43 H new ATOM 0 HB2 ASP A 33 10.075 -5.340 -1.478 1.00 63.32 H new ATOM 0 HB3 ASP A 33 11.588 -6.188 -1.223 1.00 63.32 H new ATOM 480 N ASN A 34 11.526 -7.747 1.808 1.00 31.34 N ATOM 481 CA ASN A 34 12.315 -8.833 2.378 1.00 24.20 C ATOM 482 C ASN A 34 12.932 -8.417 3.710 1.00 44.32 C ATOM 483 O ASN A 34 13.935 -7.704 3.745 1.00 2.21 O ATOM 484 CB ASN A 34 13.416 -9.257 1.404 1.00 43.25 C ATOM 485 CG ASN A 34 13.177 -10.638 0.825 1.00 35.03 C ATOM 486 OD1 ASN A 34 12.048 -11.129 0.810 1.00 32.41 O ATOM 487 ND2 ASN A 34 14.241 -11.272 0.346 1.00 13.50 N ATOM 0 H ASN A 34 11.557 -6.878 2.341 1.00 31.34 H new ATOM 0 HA ASN A 34 11.649 -9.678 2.554 1.00 24.20 H new ATOM 0 HB2 ASN A 34 13.478 -8.532 0.593 1.00 43.25 H new ATOM 0 HB3 ASN A 34 14.377 -9.243 1.918 1.00 43.25 H new ATOM 0 HD21 ASN A 34 14.141 -12.204 -0.055 1.00 13.50 H new ATOM 0 HD22 ASN A 34 15.158 -10.826 0.379 1.00 13.50 H new ATOM 494 N SER A 35 12.326 -8.867 4.803 1.00 32.34 N ATOM 495 CA SER A 35 12.813 -8.539 6.138 1.00 62.10 C ATOM 496 C SER A 35 14.338 -8.550 6.177 1.00 23.03 C ATOM 497 O SER A 35 14.977 -7.499 6.193 1.00 1.24 O ATOM 498 CB SER A 35 12.258 -9.529 7.164 1.00 2.32 C ATOM 499 OG SER A 35 12.032 -10.799 6.578 1.00 41.34 O ATOM 0 H SER A 35 11.496 -9.460 4.791 1.00 32.34 H new ATOM 0 HA SER A 35 12.467 -7.536 6.388 1.00 62.10 H new ATOM 0 HB2 SER A 35 12.958 -9.628 7.994 1.00 2.32 H new ATOM 0 HB3 SER A 35 11.325 -9.145 7.577 1.00 2.32 H new ATOM 0 HG SER A 35 11.679 -11.414 7.255 1.00 41.34 H new ATOM 505 N ASN A 36 14.915 -9.747 6.193 1.00 70.44 N ATOM 506 CA ASN A 36 16.365 -9.897 6.231 1.00 42.13 C ATOM 507 C ASN A 36 16.863 -10.685 5.023 1.00 33.51 C ATOM 508 O ASN A 36 16.257 -11.681 4.626 1.00 13.32 O ATOM 509 CB ASN A 36 16.793 -10.597 7.522 1.00 11.33 C ATOM 510 CG ASN A 36 15.994 -11.858 7.788 1.00 25.31 C ATOM 511 OD1 ASN A 36 14.860 -11.800 8.263 1.00 40.24 O ATOM 512 ND2 ASN A 36 16.585 -13.008 7.483 1.00 44.45 N ATOM 0 H ASN A 36 14.400 -10.628 6.180 1.00 70.44 H new ATOM 0 HA ASN A 36 16.808 -8.902 6.201 1.00 42.13 H new ATOM 0 HB2 ASN A 36 17.852 -10.847 7.463 1.00 11.33 H new ATOM 0 HB3 ASN A 36 16.674 -9.911 8.361 1.00 11.33 H new ATOM 0 HD21 ASN A 36 16.097 -13.890 7.641 1.00 44.45 H new ATOM 0 HD22 ASN A 36 17.527 -13.009 7.091 1.00 44.45 H new ATOM 519 N SER A 37 17.970 -10.234 4.444 1.00 44.34 N ATOM 520 CA SER A 37 18.548 -10.895 3.279 1.00 1.23 C ATOM 521 C SER A 37 20.066 -10.989 3.405 1.00 13.43 C ATOM 522 O SER A 37 20.695 -10.176 4.084 1.00 73.41 O ATOM 523 CB SER A 37 18.177 -10.140 2.001 1.00 12.04 C ATOM 524 OG SER A 37 17.025 -10.699 1.395 1.00 34.52 O ATOM 0 H SER A 37 18.485 -9.413 4.762 1.00 44.34 H new ATOM 0 HA SER A 37 18.142 -11.905 3.227 1.00 1.23 H new ATOM 0 HB2 SER A 37 17.996 -9.091 2.234 1.00 12.04 H new ATOM 0 HB3 SER A 37 19.012 -10.172 1.301 1.00 12.04 H new ATOM 0 HG SER A 37 17.247 -11.005 0.491 1.00 34.52 H new ATOM 530 N ASP A 38 20.647 -11.985 2.747 1.00 70.22 N ATOM 531 CA ASP A 38 22.091 -12.186 2.783 1.00 31.22 C ATOM 532 C ASP A 38 22.776 -11.408 1.664 1.00 23.03 C ATOM 533 O ASP A 38 22.760 -11.824 0.505 1.00 33.15 O ATOM 534 CB ASP A 38 22.423 -13.674 2.664 1.00 23.31 C ATOM 535 CG ASP A 38 21.885 -14.483 3.828 1.00 2.23 C ATOM 536 OD1 ASP A 38 21.117 -13.920 4.636 1.00 23.01 O ATOM 537 OD2 ASP A 38 22.233 -15.678 3.932 1.00 12.01 O ATOM 0 H ASP A 38 20.140 -12.666 2.182 1.00 70.22 H new ATOM 0 HA ASP A 38 22.461 -11.814 3.738 1.00 31.22 H new ATOM 0 HB2 ASP A 38 22.009 -14.062 1.733 1.00 23.31 H new ATOM 0 HB3 ASP A 38 23.504 -13.799 2.608 1.00 23.31 H new ATOM 542 N ILE A 39 23.377 -10.277 2.019 1.00 73.10 N ATOM 543 CA ILE A 39 24.067 -9.441 1.045 1.00 63.33 C ATOM 544 C ILE A 39 23.255 -9.308 -0.239 1.00 64.42 C ATOM 545 O ILE A 39 23.739 -9.618 -1.329 1.00 4.14 O ATOM 546 CB ILE A 39 25.458 -10.007 0.703 1.00 63.41 C ATOM 547 CG1 ILE A 39 26.198 -10.407 1.981 1.00 64.20 C ATOM 548 CG2 ILE A 39 26.266 -8.988 -0.086 1.00 52.32 C ATOM 549 CD1 ILE A 39 26.425 -9.254 2.934 1.00 65.34 C ATOM 0 H ILE A 39 23.400 -9.919 2.974 1.00 73.10 H new ATOM 0 HA ILE A 39 24.185 -8.458 1.501 1.00 63.33 H new ATOM 0 HB ILE A 39 25.330 -10.896 0.086 1.00 63.41 H new ATOM 0 HG12 ILE A 39 25.630 -11.184 2.492 1.00 64.20 H new ATOM 0 HG13 ILE A 39 27.161 -10.841 1.713 1.00 64.20 H new ATOM 0 HG21 ILE A 39 27.246 -9.403 -0.320 1.00 52.32 H new ATOM 0 HG22 ILE A 39 25.744 -8.748 -1.012 1.00 52.32 H new ATOM 0 HG23 ILE A 39 26.388 -8.082 0.508 1.00 52.32 H new ATOM 0 HD11 ILE A 39 26.954 -9.611 3.817 1.00 65.34 H new ATOM 0 HD12 ILE A 39 27.020 -8.486 2.440 1.00 65.34 H new ATOM 0 HD13 ILE A 39 25.464 -8.834 3.232 1.00 65.34 H new ATOM 561 N THR A 40 22.017 -8.844 -0.105 1.00 1.25 N ATOM 562 CA THR A 40 21.137 -8.669 -1.253 1.00 43.42 C ATOM 563 C THR A 40 21.634 -7.549 -2.161 1.00 22.04 C ATOM 564 O THR A 40 21.641 -7.686 -3.384 1.00 41.31 O ATOM 565 CB THR A 40 19.695 -8.355 -0.813 1.00 73.43 C ATOM 566 OG1 THR A 40 19.654 -8.114 0.598 1.00 42.25 O ATOM 567 CG2 THR A 40 18.761 -9.504 -1.163 1.00 71.22 C ATOM 0 H THR A 40 21.601 -8.582 0.789 1.00 1.25 H new ATOM 0 HA THR A 40 21.144 -9.610 -1.803 1.00 43.42 H new ATOM 0 HB THR A 40 19.363 -7.462 -1.343 1.00 73.43 H new ATOM 0 HG1 THR A 40 18.928 -7.488 0.802 1.00 42.25 H new ATOM 0 HG21 THR A 40 17.748 -9.260 -0.843 1.00 71.22 H new ATOM 0 HG22 THR A 40 18.772 -9.666 -2.241 1.00 71.22 H new ATOM 0 HG23 THR A 40 19.093 -10.410 -0.656 1.00 71.22 H new ATOM 575 N ASP A 41 22.050 -6.443 -1.554 1.00 12.31 N ATOM 576 CA ASP A 41 22.551 -5.299 -2.308 1.00 34.31 C ATOM 577 C ASP A 41 23.969 -5.557 -2.807 1.00 52.24 C ATOM 578 O ASP A 41 24.543 -4.736 -3.523 1.00 32.32 O ATOM 579 CB ASP A 41 22.522 -4.039 -1.442 1.00 45.32 C ATOM 580 CG ASP A 41 21.154 -3.778 -0.843 1.00 43.14 C ATOM 581 OD1 ASP A 41 20.146 -4.119 -1.497 1.00 4.41 O ATOM 582 OD2 ASP A 41 21.091 -3.232 0.278 1.00 24.34 O ATOM 0 H ASP A 41 22.050 -6.314 -0.542 1.00 12.31 H new ATOM 0 HA ASP A 41 21.903 -5.151 -3.172 1.00 34.31 H new ATOM 0 HB2 ASP A 41 23.254 -4.136 -0.640 1.00 45.32 H new ATOM 0 HB3 ASP A 41 22.821 -3.181 -2.044 1.00 45.32 H new ATOM 587 N GLN A 42 24.527 -6.700 -2.424 1.00 62.43 N ATOM 588 CA GLN A 42 25.879 -7.064 -2.832 1.00 71.33 C ATOM 589 C GLN A 42 26.903 -6.095 -2.250 1.00 74.05 C ATOM 590 O GLN A 42 27.685 -5.489 -2.983 1.00 10.25 O ATOM 591 CB GLN A 42 25.986 -7.083 -4.358 1.00 42.21 C ATOM 592 CG GLN A 42 24.827 -7.790 -5.041 1.00 32.20 C ATOM 593 CD GLN A 42 25.142 -8.178 -6.472 1.00 75.42 C ATOM 594 OE1 GLN A 42 26.009 -7.583 -7.113 1.00 33.43 O ATOM 595 NE2 GLN A 42 24.437 -9.182 -6.982 1.00 51.33 N ATOM 0 H GLN A 42 24.065 -7.390 -1.832 1.00 62.43 H new ATOM 0 HA GLN A 42 26.091 -8.062 -2.448 1.00 71.33 H new ATOM 0 HB2 GLN A 42 26.041 -6.057 -4.723 1.00 42.21 H new ATOM 0 HB3 GLN A 42 26.918 -7.572 -4.642 1.00 42.21 H new ATOM 0 HG2 GLN A 42 24.568 -8.685 -4.475 1.00 32.20 H new ATOM 0 HG3 GLN A 42 23.952 -7.140 -5.029 1.00 32.20 H new ATOM 0 HE21 GLN A 42 23.728 -9.647 -6.415 1.00 51.33 H new ATOM 0 HE22 GLN A 42 24.605 -9.488 -7.941 1.00 51.33 H new ATOM 604 N VAL A 43 26.892 -5.953 -0.929 1.00 35.22 N ATOM 605 CA VAL A 43 27.820 -5.058 -0.248 1.00 55.02 C ATOM 606 C VAL A 43 29.256 -5.315 -0.691 1.00 34.02 C ATOM 607 O VAL A 43 29.685 -6.463 -0.811 1.00 35.21 O ATOM 608 CB VAL A 43 27.730 -5.214 1.282 1.00 53.35 C ATOM 609 CG1 VAL A 43 28.563 -4.148 1.977 1.00 64.32 C ATOM 610 CG2 VAL A 43 26.280 -5.151 1.739 1.00 42.22 C ATOM 0 H VAL A 43 26.250 -6.447 -0.308 1.00 35.22 H new ATOM 0 HA VAL A 43 27.536 -4.041 -0.519 1.00 55.02 H new ATOM 0 HB VAL A 43 28.131 -6.190 1.555 1.00 53.35 H new ATOM 0 HG11 VAL A 43 28.487 -4.274 3.057 1.00 64.32 H new ATOM 0 HG12 VAL A 43 29.605 -4.245 1.673 1.00 64.32 H new ATOM 0 HG13 VAL A 43 28.194 -3.160 1.700 1.00 64.32 H new ATOM 0 HG21 VAL A 43 26.235 -5.263 2.822 1.00 42.22 H new ATOM 0 HG22 VAL A 43 25.850 -4.190 1.455 1.00 42.22 H new ATOM 0 HG23 VAL A 43 25.715 -5.955 1.267 1.00 42.22 H new ATOM 620 N THR A 44 29.997 -4.238 -0.932 1.00 55.12 N ATOM 621 CA THR A 44 31.385 -4.346 -1.362 1.00 52.03 C ATOM 622 C THR A 44 32.338 -4.227 -0.179 1.00 10.24 C ATOM 623 O THR A 44 32.455 -3.164 0.432 1.00 74.13 O ATOM 624 CB THR A 44 31.737 -3.265 -2.401 1.00 51.42 C ATOM 625 OG1 THR A 44 30.732 -3.219 -3.421 1.00 3.05 O ATOM 626 CG2 THR A 44 33.094 -3.541 -3.031 1.00 53.13 C ATOM 0 H THR A 44 29.658 -3.281 -0.837 1.00 55.12 H new ATOM 0 HA THR A 44 31.499 -5.329 -1.819 1.00 52.03 H new ATOM 0 HB THR A 44 31.780 -2.303 -1.891 1.00 51.42 H new ATOM 0 HG1 THR A 44 30.963 -2.528 -4.077 1.00 3.05 H new ATOM 0 HG21 THR A 44 33.321 -2.764 -3.761 1.00 53.13 H new ATOM 0 HG22 THR A 44 33.861 -3.546 -2.256 1.00 53.13 H new ATOM 0 HG23 THR A 44 33.074 -4.511 -3.527 1.00 53.13 H new ATOM 634 N TRP A 45 33.018 -5.322 0.140 1.00 35.40 N ATOM 635 CA TRP A 45 33.962 -5.340 1.251 1.00 11.44 C ATOM 636 C TRP A 45 35.378 -5.618 0.759 1.00 75.54 C ATOM 637 O TRP A 45 35.614 -6.588 0.037 1.00 12.32 O ATOM 638 CB TRP A 45 33.550 -6.393 2.281 1.00 22.11 C ATOM 639 CG TRP A 45 32.571 -5.882 3.294 1.00 31.53 C ATOM 640 CD1 TRP A 45 31.237 -5.660 3.105 1.00 33.43 C ATOM 641 CD2 TRP A 45 32.850 -5.529 4.653 1.00 10.43 C ATOM 642 NE1 TRP A 45 30.670 -5.190 4.265 1.00 55.21 N ATOM 643 CE2 TRP A 45 31.638 -5.101 5.230 1.00 51.13 C ATOM 644 CE3 TRP A 45 34.005 -5.533 5.440 1.00 71.51 C ATOM 645 CZ2 TRP A 45 31.551 -4.682 6.555 1.00 41.24 C ATOM 646 CZ3 TRP A 45 33.917 -5.117 6.755 1.00 42.14 C ATOM 647 CH2 TRP A 45 32.698 -4.697 7.302 1.00 55.44 C ATOM 0 H TRP A 45 32.933 -6.210 -0.355 1.00 35.40 H new ATOM 0 HA TRP A 45 33.948 -4.357 1.722 1.00 11.44 H new ATOM 0 HB2 TRP A 45 33.113 -7.247 1.763 1.00 22.11 H new ATOM 0 HB3 TRP A 45 34.440 -6.754 2.796 1.00 22.11 H new ATOM 0 HD1 TRP A 45 30.706 -5.829 2.180 1.00 33.43 H new ATOM 0 HE1 TRP A 45 29.687 -4.947 4.388 1.00 55.21 H new ATOM 0 HE3 TRP A 45 34.950 -5.856 5.028 1.00 71.51 H new ATOM 0 HZ2 TRP A 45 30.612 -4.357 6.978 1.00 41.24 H new ATOM 0 HZ3 TRP A 45 34.804 -5.116 7.372 1.00 42.14 H new ATOM 0 HH2 TRP A 45 32.662 -4.379 8.333 1.00 55.44 H new ATOM 658 N ASP A 46 36.315 -4.764 1.152 1.00 24.14 N ATOM 659 CA ASP A 46 37.709 -4.920 0.751 1.00 12.13 C ATOM 660 C ASP A 46 38.646 -4.634 1.920 1.00 1.24 C ATOM 661 O ASP A 46 38.395 -3.736 2.725 1.00 62.53 O ATOM 662 CB ASP A 46 38.032 -3.988 -0.418 1.00 25.42 C ATOM 663 CG ASP A 46 38.152 -4.731 -1.734 1.00 22.30 C ATOM 664 OD1 ASP A 46 39.256 -5.230 -2.035 1.00 24.43 O ATOM 665 OD2 ASP A 46 37.142 -4.813 -2.464 1.00 12.22 O ATOM 0 H ASP A 46 36.136 -3.956 1.748 1.00 24.14 H new ATOM 0 HA ASP A 46 37.858 -5.952 0.435 1.00 12.13 H new ATOM 0 HB2 ASP A 46 37.252 -3.231 -0.501 1.00 25.42 H new ATOM 0 HB3 ASP A 46 38.965 -3.464 -0.214 1.00 25.42 H new ATOM 670 N SER A 47 39.726 -5.403 2.008 1.00 22.54 N ATOM 671 CA SER A 47 40.699 -5.236 3.082 1.00 73.11 C ATOM 672 C SER A 47 42.117 -5.169 2.524 1.00 23.34 C ATOM 673 O SER A 47 42.483 -5.936 1.633 1.00 34.25 O ATOM 674 CB SER A 47 40.586 -6.386 4.085 1.00 62.25 C ATOM 675 OG SER A 47 41.386 -6.145 5.229 1.00 21.01 O ATOM 0 H SER A 47 39.950 -6.148 1.349 1.00 22.54 H new ATOM 0 HA SER A 47 40.483 -4.297 3.592 1.00 73.11 H new ATOM 0 HB2 SER A 47 39.545 -6.510 4.385 1.00 62.25 H new ATOM 0 HB3 SER A 47 40.895 -7.318 3.611 1.00 62.25 H new ATOM 0 HG SER A 47 40.916 -6.460 6.029 1.00 21.01 H new ATOM 681 N SER A 48 42.912 -4.246 3.056 1.00 64.31 N ATOM 682 CA SER A 48 44.290 -4.075 2.610 1.00 62.53 C ATOM 683 C SER A 48 44.893 -2.797 3.185 1.00 72.24 C ATOM 684 O SER A 48 44.217 -1.775 3.296 1.00 63.12 O ATOM 685 CB SER A 48 44.353 -4.040 1.082 1.00 70.05 C ATOM 686 OG SER A 48 45.343 -3.131 0.633 1.00 64.22 O ATOM 0 H SER A 48 42.626 -3.605 3.796 1.00 64.31 H new ATOM 0 HA SER A 48 44.871 -4.924 2.971 1.00 62.53 H new ATOM 0 HB2 SER A 48 44.571 -5.038 0.701 1.00 70.05 H new ATOM 0 HB3 SER A 48 43.381 -3.751 0.681 1.00 70.05 H new ATOM 0 HG SER A 48 45.364 -3.128 -0.347 1.00 64.22 H new ATOM 692 N ASN A 49 46.169 -2.864 3.548 1.00 24.05 N ATOM 693 CA ASN A 49 46.865 -1.713 4.113 1.00 55.22 C ATOM 694 C ASN A 49 48.290 -2.081 4.514 1.00 51.23 C ATOM 695 O ASN A 49 49.205 -1.261 4.421 1.00 74.41 O ATOM 696 CB ASN A 49 46.104 -1.176 5.327 1.00 33.30 C ATOM 697 CG ASN A 49 45.834 0.313 5.228 1.00 35.34 C ATOM 698 OD1 ASN A 49 46.429 1.112 5.951 1.00 43.25 O ATOM 699 ND2 ASN A 49 44.931 0.692 4.331 1.00 31.22 N ATOM 0 H ASN A 49 46.743 -3.703 3.461 1.00 24.05 H new ATOM 0 HA ASN A 49 46.911 -0.937 3.349 1.00 55.22 H new ATOM 0 HB2 ASN A 49 45.158 -1.708 5.424 1.00 33.30 H new ATOM 0 HB3 ASN A 49 46.678 -1.379 6.231 1.00 33.30 H new ATOM 0 HD21 ASN A 49 44.706 1.681 4.220 1.00 31.22 H new ATOM 0 HD22 ASN A 49 44.462 -0.006 3.753 1.00 31.22 H new ATOM 706 N THR A 50 48.472 -3.320 4.960 1.00 43.14 N ATOM 707 CA THR A 50 49.785 -3.797 5.375 1.00 22.11 C ATOM 708 C THR A 50 50.365 -4.770 4.355 1.00 74.40 C ATOM 709 O THR A 50 51.262 -4.420 3.589 1.00 42.03 O ATOM 710 CB THR A 50 49.722 -4.489 6.750 1.00 61.22 C ATOM 711 OG1 THR A 50 49.285 -3.559 7.747 1.00 42.00 O ATOM 712 CG2 THR A 50 51.082 -5.052 7.135 1.00 32.11 C ATOM 0 H THR A 50 47.726 -4.011 5.043 1.00 43.14 H new ATOM 0 HA THR A 50 50.431 -2.922 5.446 1.00 22.11 H new ATOM 0 HB THR A 50 49.011 -5.312 6.686 1.00 61.22 H new ATOM 0 HG1 THR A 50 48.403 -3.208 7.503 1.00 42.00 H new ATOM 0 HG21 THR A 50 51.013 -5.536 8.109 1.00 32.11 H new ATOM 0 HG22 THR A 50 51.398 -5.781 6.389 1.00 32.11 H new ATOM 0 HG23 THR A 50 51.811 -4.243 7.183 1.00 32.11 H new ATOM 720 N ASP A 51 49.846 -5.993 4.350 1.00 33.30 N ATOM 721 CA ASP A 51 50.311 -7.017 3.422 1.00 72.51 C ATOM 722 C ASP A 51 49.184 -7.462 2.494 1.00 3.11 C ATOM 723 O ASP A 51 49.120 -7.047 1.337 1.00 43.53 O ATOM 724 CB ASP A 51 50.860 -8.221 4.190 1.00 1.51 C ATOM 725 CG ASP A 51 52.350 -8.110 4.450 1.00 34.15 C ATOM 726 OD1 ASP A 51 52.730 -7.515 5.480 1.00 13.55 O ATOM 727 OD2 ASP A 51 53.135 -8.620 3.625 1.00 62.12 O ATOM 0 H ASP A 51 49.103 -6.299 4.978 1.00 33.30 H new ATOM 0 HA ASP A 51 51.109 -6.587 2.816 1.00 72.51 H new ATOM 0 HB2 ASP A 51 50.334 -8.313 5.140 1.00 1.51 H new ATOM 0 HB3 ASP A 51 50.659 -9.131 3.625 1.00 1.51 H new ATOM 732 N ILE A 52 48.300 -8.309 3.009 1.00 14.35 N ATOM 733 CA ILE A 52 47.176 -8.809 2.227 1.00 62.10 C ATOM 734 C ILE A 52 46.005 -9.189 3.127 1.00 64.20 C ATOM 735 O ILE A 52 46.197 -9.714 4.225 1.00 53.11 O ATOM 736 CB ILE A 52 47.579 -10.033 1.383 1.00 52.20 C ATOM 737 CG1 ILE A 52 48.337 -11.046 2.243 1.00 12.02 C ATOM 738 CG2 ILE A 52 48.424 -9.601 0.194 1.00 24.32 C ATOM 739 CD1 ILE A 52 48.726 -12.302 1.496 1.00 42.15 C ATOM 0 H ILE A 52 48.340 -8.664 3.965 1.00 14.35 H new ATOM 0 HA ILE A 52 46.871 -8.002 1.561 1.00 62.10 H new ATOM 0 HB ILE A 52 46.674 -10.510 1.006 1.00 52.20 H new ATOM 0 HG12 ILE A 52 49.237 -10.574 2.637 1.00 12.02 H new ATOM 0 HG13 ILE A 52 47.719 -11.319 3.099 1.00 12.02 H new ATOM 0 HG21 ILE A 52 48.701 -10.477 -0.393 1.00 24.32 H new ATOM 0 HG22 ILE A 52 47.852 -8.913 -0.429 1.00 24.32 H new ATOM 0 HG23 ILE A 52 49.326 -9.103 0.550 1.00 24.32 H new ATOM 0 HD11 ILE A 52 49.260 -12.974 2.168 1.00 42.15 H new ATOM 0 HD12 ILE A 52 47.829 -12.797 1.125 1.00 42.15 H new ATOM 0 HD13 ILE A 52 49.370 -12.041 0.656 1.00 42.15 H new ATOM 751 N LEU A 53 44.793 -8.923 2.655 1.00 53.23 N ATOM 752 CA LEU A 53 43.589 -9.239 3.416 1.00 52.43 C ATOM 753 C LEU A 53 42.381 -9.372 2.494 1.00 50.53 C ATOM 754 O LEU A 53 42.129 -8.505 1.656 1.00 34.42 O ATOM 755 CB LEU A 53 43.327 -8.157 4.465 1.00 31.34 C ATOM 756 CG LEU A 53 44.152 -8.254 5.749 1.00 43.00 C ATOM 757 CD1 LEU A 53 45.269 -7.221 5.745 1.00 74.21 C ATOM 758 CD2 LEU A 53 43.262 -8.075 6.970 1.00 21.12 C ATOM 0 H LEU A 53 44.617 -8.489 1.749 1.00 53.23 H new ATOM 0 HA LEU A 53 43.746 -10.194 3.918 1.00 52.43 H new ATOM 0 HB2 LEU A 53 43.514 -7.185 4.009 1.00 31.34 H new ATOM 0 HB3 LEU A 53 42.271 -8.186 4.732 1.00 31.34 H new ATOM 0 HG LEU A 53 44.602 -9.246 5.795 1.00 43.00 H new ATOM 0 HD11 LEU A 53 45.845 -7.305 6.666 1.00 74.21 H new ATOM 0 HD12 LEU A 53 45.923 -7.396 4.891 1.00 74.21 H new ATOM 0 HD13 LEU A 53 44.840 -6.221 5.675 1.00 74.21 H new ATOM 0 HD21 LEU A 53 43.866 -8.147 7.874 1.00 21.12 H new ATOM 0 HD22 LEU A 53 42.783 -7.097 6.931 1.00 21.12 H new ATOM 0 HD23 LEU A 53 42.498 -8.853 6.981 1.00 21.12 H new ATOM 770 N SER A 54 41.637 -10.461 2.655 1.00 14.22 N ATOM 771 CA SER A 54 40.456 -10.708 1.836 1.00 14.03 C ATOM 772 C SER A 54 39.204 -10.803 2.703 1.00 14.51 C ATOM 773 O SER A 54 39.236 -11.362 3.800 1.00 75.05 O ATOM 774 CB SER A 54 40.629 -11.996 1.029 1.00 3.11 C ATOM 775 OG SER A 54 40.590 -11.734 -0.363 1.00 61.41 O ATOM 0 H SER A 54 41.831 -11.187 3.345 1.00 14.22 H new ATOM 0 HA SER A 54 40.339 -9.870 1.149 1.00 14.03 H new ATOM 0 HB2 SER A 54 41.578 -12.466 1.287 1.00 3.11 H new ATOM 0 HB3 SER A 54 39.841 -12.702 1.292 1.00 3.11 H new ATOM 0 HG SER A 54 40.704 -12.573 -0.857 1.00 61.41 H new ATOM 781 N ILE A 55 38.103 -10.251 2.203 1.00 32.51 N ATOM 782 CA ILE A 55 36.840 -10.274 2.930 1.00 32.14 C ATOM 783 C ILE A 55 35.790 -11.091 2.184 1.00 3.12 C ATOM 784 O ILE A 55 35.545 -10.870 0.998 1.00 21.43 O ATOM 785 CB ILE A 55 36.298 -8.851 3.162 1.00 74.35 C ATOM 786 CG1 ILE A 55 37.390 -7.955 3.750 1.00 75.32 C ATOM 787 CG2 ILE A 55 35.085 -8.889 4.079 1.00 34.21 C ATOM 788 CD1 ILE A 55 37.894 -8.423 5.097 1.00 11.41 C ATOM 0 H ILE A 55 38.061 -9.783 1.298 1.00 32.51 H new ATOM 0 HA ILE A 55 37.040 -10.740 3.895 1.00 32.14 H new ATOM 0 HB ILE A 55 35.991 -8.435 2.203 1.00 74.35 H new ATOM 0 HG12 ILE A 55 38.227 -7.911 3.053 1.00 75.32 H new ATOM 0 HG13 ILE A 55 37.003 -6.941 3.848 1.00 75.32 H new ATOM 0 HG21 ILE A 55 34.714 -7.876 4.233 1.00 34.21 H new ATOM 0 HG22 ILE A 55 34.303 -9.497 3.623 1.00 34.21 H new ATOM 0 HG23 ILE A 55 35.368 -9.322 5.039 1.00 34.21 H new ATOM 0 HD11 ILE A 55 38.666 -7.741 5.454 1.00 11.41 H new ATOM 0 HD12 ILE A 55 37.068 -8.440 5.808 1.00 11.41 H new ATOM 0 HD13 ILE A 55 38.311 -9.425 5.001 1.00 11.41 H new ATOM 800 N SER A 56 35.172 -12.034 2.888 1.00 63.23 N ATOM 801 CA SER A 56 34.150 -12.886 2.292 1.00 52.04 C ATOM 802 C SER A 56 32.778 -12.587 2.888 1.00 11.34 C ATOM 803 O SER A 56 32.615 -12.542 4.107 1.00 64.21 O ATOM 804 CB SER A 56 34.499 -14.361 2.501 1.00 51.31 C ATOM 805 OG SER A 56 35.902 -14.559 2.493 1.00 0.20 O ATOM 0 H SER A 56 35.361 -12.227 3.872 1.00 63.23 H new ATOM 0 HA SER A 56 34.116 -12.676 1.223 1.00 52.04 H new ATOM 0 HB2 SER A 56 34.085 -14.705 3.449 1.00 51.31 H new ATOM 0 HB3 SER A 56 34.039 -14.962 1.716 1.00 51.31 H new ATOM 0 HG SER A 56 36.099 -15.509 2.630 1.00 0.20 H new ATOM 811 N ASN A 57 31.793 -12.382 2.019 1.00 24.22 N ATOM 812 CA ASN A 57 30.435 -12.086 2.459 1.00 33.30 C ATOM 813 C ASN A 57 29.447 -12.225 1.305 1.00 50.55 C ATOM 814 O ASN A 57 29.134 -11.250 0.622 1.00 10.40 O ATOM 815 CB ASN A 57 30.361 -10.673 3.042 1.00 62.45 C ATOM 816 CG ASN A 57 29.137 -10.471 3.914 1.00 45.41 C ATOM 817 OD1 ASN A 57 28.238 -11.310 3.945 1.00 75.11 O ATOM 818 ND2 ASN A 57 29.099 -9.352 4.628 1.00 0.30 N ATOM 0 H ASN A 57 31.910 -12.416 1.006 1.00 24.22 H new ATOM 0 HA ASN A 57 30.166 -12.805 3.233 1.00 33.30 H new ATOM 0 HB2 ASN A 57 31.258 -10.478 3.629 1.00 62.45 H new ATOM 0 HB3 ASN A 57 30.348 -9.947 2.229 1.00 62.45 H new ATOM 0 HD21 ASN A 57 28.301 -9.160 5.234 1.00 0.30 H new ATOM 0 HD22 ASN A 57 29.868 -8.684 4.571 1.00 0.30 H new ATOM 825 N ALA A 58 28.959 -13.443 1.093 1.00 43.42 N ATOM 826 CA ALA A 58 28.005 -13.708 0.023 1.00 22.23 C ATOM 827 C ALA A 58 27.128 -14.910 0.356 1.00 22.41 C ATOM 828 O ALA A 58 25.906 -14.854 0.224 1.00 34.41 O ATOM 829 CB ALA A 58 28.736 -13.934 -1.292 1.00 1.40 C ATOM 0 H ALA A 58 29.209 -14.262 1.648 1.00 43.42 H new ATOM 0 HA ALA A 58 27.359 -12.836 -0.079 1.00 22.23 H new ATOM 0 HB1 ALA A 58 28.011 -14.131 -2.082 1.00 1.40 H new ATOM 0 HB2 ALA A 58 29.315 -13.045 -1.544 1.00 1.40 H new ATOM 0 HB3 ALA A 58 29.406 -14.788 -1.194 1.00 1.40 H new ATOM 835 N SER A 59 27.760 -15.997 0.788 1.00 65.14 N ATOM 836 CA SER A 59 27.037 -17.215 1.135 1.00 45.11 C ATOM 837 C SER A 59 26.091 -16.969 2.306 1.00 74.33 C ATOM 838 O SER A 59 25.176 -17.755 2.555 1.00 64.45 O ATOM 839 CB SER A 59 28.020 -18.334 1.485 1.00 71.20 C ATOM 840 OG SER A 59 28.074 -19.306 0.455 1.00 43.33 O ATOM 0 H SER A 59 28.771 -16.059 0.906 1.00 65.14 H new ATOM 0 HA SER A 59 26.446 -17.517 0.270 1.00 45.11 H new ATOM 0 HB2 SER A 59 29.013 -17.913 1.645 1.00 71.20 H new ATOM 0 HB3 SER A 59 27.720 -18.807 2.420 1.00 71.20 H new ATOM 0 HG SER A 59 28.710 -20.009 0.702 1.00 43.33 H new ATOM 846 N ASP A 60 26.317 -15.873 3.021 1.00 32.11 N ATOM 847 CA ASP A 60 25.484 -15.522 4.166 1.00 41.34 C ATOM 848 C ASP A 60 25.333 -14.008 4.283 1.00 32.23 C ATOM 849 O ASP A 60 25.702 -13.265 3.374 1.00 4.03 O ATOM 850 CB ASP A 60 26.084 -16.088 5.453 1.00 24.32 C ATOM 851 CG ASP A 60 25.025 -16.597 6.411 1.00 71.01 C ATOM 852 OD1 ASP A 60 24.505 -17.709 6.183 1.00 31.14 O ATOM 853 OD2 ASP A 60 24.715 -15.883 7.388 1.00 42.44 O ATOM 0 H ASP A 60 27.070 -15.212 2.829 1.00 32.11 H new ATOM 0 HA ASP A 60 24.497 -15.957 4.013 1.00 41.34 H new ATOM 0 HB2 ASP A 60 26.766 -16.901 5.205 1.00 24.32 H new ATOM 0 HB3 ASP A 60 26.674 -15.315 5.946 1.00 24.32 H new ATOM 858 N SER A 61 24.786 -13.559 5.408 1.00 1.14 N ATOM 859 CA SER A 61 24.581 -12.134 5.643 1.00 21.40 C ATOM 860 C SER A 61 25.653 -11.577 6.575 1.00 63.53 C ATOM 861 O SER A 61 25.927 -10.377 6.577 1.00 4.12 O ATOM 862 CB SER A 61 23.194 -11.889 6.239 1.00 13.50 C ATOM 863 OG SER A 61 23.254 -11.802 7.652 1.00 33.32 O ATOM 0 H SER A 61 24.477 -14.161 6.171 1.00 1.14 H new ATOM 0 HA SER A 61 24.654 -11.619 4.685 1.00 21.40 H new ATOM 0 HB2 SER A 61 22.778 -10.967 5.832 1.00 13.50 H new ATOM 0 HB3 SER A 61 22.522 -12.697 5.950 1.00 13.50 H new ATOM 0 HG SER A 61 22.355 -11.643 8.008 1.00 33.32 H new ATOM 869 N HIS A 62 26.257 -12.459 7.366 1.00 50.13 N ATOM 870 CA HIS A 62 27.300 -12.057 8.302 1.00 1.25 C ATOM 871 C HIS A 62 28.654 -11.972 7.604 1.00 21.24 C ATOM 872 O HIS A 62 29.099 -12.930 6.973 1.00 52.32 O ATOM 873 CB HIS A 62 27.375 -13.043 9.469 1.00 42.52 C ATOM 874 CG HIS A 62 26.601 -12.605 10.674 1.00 53.12 C ATOM 875 ND1 HIS A 62 26.908 -13.013 11.955 1.00 54.03 N ATOM 876 CD2 HIS A 62 25.527 -11.788 10.788 1.00 62.44 C ATOM 877 CE1 HIS A 62 26.055 -12.468 12.804 1.00 3.21 C ATOM 878 NE2 HIS A 62 25.208 -11.720 12.121 1.00 15.43 N ATOM 0 H HIS A 62 26.042 -13.456 7.377 1.00 50.13 H new ATOM 0 HA HIS A 62 27.047 -11.069 8.687 1.00 1.25 H new ATOM 0 HB2 HIS A 62 27.001 -14.012 9.140 1.00 42.52 H new ATOM 0 HB3 HIS A 62 28.419 -13.183 9.749 1.00 42.52 H new ATOM 0 HD2 HIS A 62 25.017 -11.284 9.981 1.00 62.44 H new ATOM 0 HE1 HIS A 62 26.051 -12.610 13.875 1.00 3.21 H new ATOM 0 HE2 HIS A 62 24.441 -11.179 12.520 1.00 15.43 H new ATOM 886 N GLY A 63 29.305 -10.819 7.723 1.00 53.45 N ATOM 887 CA GLY A 63 30.601 -10.630 7.097 1.00 74.40 C ATOM 888 C GLY A 63 31.644 -11.596 7.622 1.00 31.35 C ATOM 889 O GLY A 63 31.387 -12.347 8.565 1.00 43.21 O ATOM 0 H GLY A 63 28.958 -10.012 8.242 1.00 53.45 H new ATOM 0 HA2 GLY A 63 30.502 -10.757 6.019 1.00 74.40 H new ATOM 0 HA3 GLY A 63 30.938 -9.608 7.268 1.00 74.40 H new ATOM 893 N LEU A 64 32.823 -11.580 7.012 1.00 65.12 N ATOM 894 CA LEU A 64 33.910 -12.463 7.423 1.00 52.13 C ATOM 895 C LEU A 64 35.253 -11.943 6.921 1.00 2.22 C ATOM 896 O LEU A 64 35.584 -12.084 5.744 1.00 3.54 O ATOM 897 CB LEU A 64 33.670 -13.879 6.896 1.00 15.13 C ATOM 898 CG LEU A 64 34.850 -14.844 7.004 1.00 23.41 C ATOM 899 CD1 LEU A 64 34.413 -16.154 7.642 1.00 54.22 C ATOM 900 CD2 LEU A 64 35.461 -15.095 5.633 1.00 3.21 C ATOM 0 H LEU A 64 33.052 -10.965 6.231 1.00 65.12 H new ATOM 0 HA LEU A 64 33.934 -12.486 8.512 1.00 52.13 H new ATOM 0 HB2 LEU A 64 32.825 -14.308 7.436 1.00 15.13 H new ATOM 0 HB3 LEU A 64 33.377 -13.810 5.848 1.00 15.13 H new ATOM 0 HG LEU A 64 35.609 -14.389 7.641 1.00 23.41 H new ATOM 0 HD11 LEU A 64 35.267 -16.828 7.710 1.00 54.22 H new ATOM 0 HD12 LEU A 64 34.023 -15.960 8.641 1.00 54.22 H new ATOM 0 HD13 LEU A 64 33.635 -16.614 7.032 1.00 54.22 H new ATOM 0 HD21 LEU A 64 36.300 -15.784 5.729 1.00 3.21 H new ATOM 0 HD22 LEU A 64 34.709 -15.528 4.973 1.00 3.21 H new ATOM 0 HD23 LEU A 64 35.812 -14.152 5.213 1.00 3.21 H new ATOM 912 N ALA A 65 36.024 -11.343 7.823 1.00 72.41 N ATOM 913 CA ALA A 65 37.333 -10.806 7.473 1.00 30.51 C ATOM 914 C ALA A 65 38.429 -11.843 7.697 1.00 40.15 C ATOM 915 O ALA A 65 38.608 -12.341 8.808 1.00 62.12 O ATOM 916 CB ALA A 65 37.621 -9.549 8.280 1.00 35.01 C ATOM 0 H ALA A 65 35.764 -11.217 8.801 1.00 72.41 H new ATOM 0 HA ALA A 65 37.322 -10.550 6.414 1.00 30.51 H new ATOM 0 HB1 ALA A 65 38.602 -9.159 8.008 1.00 35.01 H new ATOM 0 HB2 ALA A 65 36.860 -8.798 8.068 1.00 35.01 H new ATOM 0 HB3 ALA A 65 37.608 -9.788 9.343 1.00 35.01 H new ATOM 922 N SER A 66 39.159 -12.164 6.633 1.00 3.33 N ATOM 923 CA SER A 66 40.235 -13.145 6.713 1.00 43.22 C ATOM 924 C SER A 66 41.566 -12.526 6.296 1.00 62.30 C ATOM 925 O SER A 66 41.735 -12.097 5.154 1.00 63.51 O ATOM 926 CB SER A 66 39.921 -14.351 5.826 1.00 35.11 C ATOM 927 OG SER A 66 41.021 -15.241 5.767 1.00 64.52 O ATOM 0 H SER A 66 39.025 -11.759 5.706 1.00 3.33 H new ATOM 0 HA SER A 66 40.316 -13.476 7.748 1.00 43.22 H new ATOM 0 HB2 SER A 66 39.047 -14.874 6.214 1.00 35.11 H new ATOM 0 HB3 SER A 66 39.670 -14.012 4.821 1.00 35.11 H new ATOM 0 HG SER A 66 40.794 -16.004 5.195 1.00 64.52 H new ATOM 933 N THR A 67 42.510 -12.483 7.231 1.00 24.40 N ATOM 934 CA THR A 67 43.826 -11.917 6.963 1.00 2.11 C ATOM 935 C THR A 67 44.870 -13.013 6.781 1.00 11.11 C ATOM 936 O THR A 67 44.712 -14.125 7.287 1.00 3.12 O ATOM 937 CB THR A 67 44.276 -10.979 8.099 1.00 10.01 C ATOM 938 OG1 THR A 67 45.438 -10.245 7.697 1.00 22.24 O ATOM 939 CG2 THR A 67 44.580 -11.768 9.364 1.00 41.22 C ATOM 0 H THR A 67 42.387 -12.834 8.181 1.00 24.40 H new ATOM 0 HA THR A 67 43.741 -11.343 6.040 1.00 2.11 H new ATOM 0 HB THR A 67 43.463 -10.284 8.310 1.00 10.01 H new ATOM 0 HG1 THR A 67 46.177 -10.441 8.310 1.00 22.24 H new ATOM 0 HG21 THR A 67 44.896 -11.084 10.152 1.00 41.22 H new ATOM 0 HG22 THR A 67 43.685 -12.302 9.684 1.00 41.22 H new ATOM 0 HG23 THR A 67 45.377 -12.484 9.164 1.00 41.22 H new ATOM 947 N LEU A 68 45.936 -12.693 6.057 1.00 65.24 N ATOM 948 CA LEU A 68 47.008 -13.651 5.808 1.00 21.44 C ATOM 949 C LEU A 68 48.298 -13.215 6.495 1.00 24.30 C ATOM 950 O LEU A 68 49.144 -14.043 6.832 1.00 50.21 O ATOM 951 CB LEU A 68 47.244 -13.805 4.305 1.00 53.43 C ATOM 952 CG LEU A 68 47.228 -15.235 3.765 1.00 24.33 C ATOM 953 CD1 LEU A 68 47.490 -15.244 2.267 1.00 14.21 C ATOM 954 CD2 LEU A 68 48.256 -16.091 4.492 1.00 12.55 C ATOM 0 H LEU A 68 46.082 -11.777 5.632 1.00 65.24 H new ATOM 0 HA LEU A 68 46.705 -14.613 6.221 1.00 21.44 H new ATOM 0 HB2 LEU A 68 46.483 -13.230 3.777 1.00 53.43 H new ATOM 0 HB3 LEU A 68 48.207 -13.357 4.061 1.00 53.43 H new ATOM 0 HG LEU A 68 46.239 -15.658 3.943 1.00 24.33 H new ATOM 0 HD11 LEU A 68 47.475 -16.271 1.901 1.00 14.21 H new ATOM 0 HD12 LEU A 68 46.718 -14.666 1.759 1.00 14.21 H new ATOM 0 HD13 LEU A 68 48.466 -14.802 2.066 1.00 14.21 H new ATOM 0 HD21 LEU A 68 48.231 -17.106 4.095 1.00 12.55 H new ATOM 0 HD22 LEU A 68 49.250 -15.669 4.346 1.00 12.55 H new ATOM 0 HD23 LEU A 68 48.024 -16.112 5.557 1.00 12.55 H new ATOM 966 N ASN A 69 48.441 -11.910 6.701 1.00 61.00 N ATOM 967 CA ASN A 69 49.628 -11.364 7.349 1.00 12.24 C ATOM 968 C ASN A 69 49.242 -10.453 8.511 1.00 44.21 C ATOM 969 O ASN A 69 48.066 -10.153 8.713 1.00 71.50 O ATOM 970 CB ASN A 69 50.476 -10.589 6.339 1.00 72.14 C ATOM 971 CG ASN A 69 51.682 -11.380 5.869 1.00 54.21 C ATOM 972 OD1 ASN A 69 52.817 -11.076 6.234 1.00 64.20 O ATOM 973 ND2 ASN A 69 51.439 -12.400 5.055 1.00 61.44 N ATOM 0 H ASN A 69 47.750 -11.211 6.429 1.00 61.00 H new ATOM 0 HA ASN A 69 50.213 -12.196 7.741 1.00 12.24 H new ATOM 0 HB2 ASN A 69 49.861 -10.325 5.479 1.00 72.14 H new ATOM 0 HB3 ASN A 69 50.811 -9.655 6.791 1.00 72.14 H new ATOM 0 HD21 ASN A 69 52.210 -12.969 4.706 1.00 61.44 H new ATOM 0 HD22 ASN A 69 50.481 -12.615 4.779 1.00 61.44 H new ATOM 980 N GLN A 70 50.242 -10.016 9.270 1.00 41.32 N ATOM 981 CA GLN A 70 50.007 -9.139 10.411 1.00 43.10 C ATOM 982 C GLN A 70 49.960 -7.678 9.975 1.00 71.34 C ATOM 983 O GLN A 70 49.920 -7.377 8.782 1.00 21.25 O ATOM 984 CB GLN A 70 51.100 -9.334 11.464 1.00 54.30 C ATOM 985 CG GLN A 70 52.472 -8.862 11.011 1.00 21.42 C ATOM 986 CD GLN A 70 53.558 -9.172 12.022 1.00 24.13 C ATOM 987 OE1 GLN A 70 53.617 -8.567 13.093 1.00 51.31 O ATOM 988 NE2 GLN A 70 54.426 -10.120 11.687 1.00 4.45 N ATOM 0 H GLN A 70 51.222 -10.255 9.116 1.00 41.32 H new ATOM 0 HA GLN A 70 49.042 -9.401 10.845 1.00 43.10 H new ATOM 0 HB2 GLN A 70 50.821 -8.796 12.370 1.00 54.30 H new ATOM 0 HB3 GLN A 70 51.157 -10.391 11.726 1.00 54.30 H new ATOM 0 HG2 GLN A 70 52.720 -9.335 10.061 1.00 21.42 H new ATOM 0 HG3 GLN A 70 52.442 -7.787 10.834 1.00 21.42 H new ATOM 0 HE21 GLN A 70 54.340 -10.596 10.789 1.00 4.45 H new ATOM 0 HE22 GLN A 70 55.179 -10.372 12.328 1.00 4.45 H new ATOM 997 N GLY A 71 49.964 -6.774 10.949 1.00 1.14 N ATOM 998 CA GLY A 71 49.921 -5.356 10.645 1.00 12.55 C ATOM 999 C GLY A 71 48.530 -4.772 10.797 1.00 31.34 C ATOM 1000 O GLY A 71 47.593 -5.474 11.177 1.00 65.15 O ATOM 0 H GLY A 71 49.996 -6.998 11.944 1.00 1.14 H new ATOM 0 HA2 GLY A 71 50.608 -4.825 11.304 1.00 12.55 H new ATOM 0 HA3 GLY A 71 50.270 -5.196 9.625 1.00 12.55 H new ATOM 1004 N ASN A 72 48.395 -3.483 10.502 1.00 31.41 N ATOM 1005 CA ASN A 72 47.108 -2.805 10.610 1.00 23.32 C ATOM 1006 C ASN A 72 46.428 -2.710 9.248 1.00 14.31 C ATOM 1007 O ASN A 72 47.053 -2.342 8.254 1.00 43.32 O ATOM 1008 CB ASN A 72 47.294 -1.406 11.199 1.00 10.54 C ATOM 1009 CG ASN A 72 48.055 -0.482 10.267 1.00 33.25 C ATOM 1010 OD1 ASN A 72 47.461 0.206 9.437 1.00 43.11 O ATOM 1011 ND2 ASN A 72 49.376 -0.464 10.401 1.00 12.15 N ATOM 0 H ASN A 72 49.161 -2.887 10.186 1.00 31.41 H new ATOM 0 HA ASN A 72 46.471 -3.390 11.274 1.00 23.32 H new ATOM 0 HB2 ASN A 72 46.317 -0.974 11.417 1.00 10.54 H new ATOM 0 HB3 ASN A 72 47.828 -1.482 12.146 1.00 10.54 H new ATOM 0 HD21 ASN A 72 49.941 0.137 9.802 1.00 12.15 H new ATOM 0 HD22 ASN A 72 49.825 -1.052 11.103 1.00 12.15 H new ATOM 1018 N VAL A 73 45.141 -3.043 9.211 1.00 64.23 N ATOM 1019 CA VAL A 73 44.374 -2.993 7.972 1.00 65.53 C ATOM 1020 C VAL A 73 43.037 -2.292 8.181 1.00 43.22 C ATOM 1021 O VAL A 73 42.392 -2.456 9.217 1.00 45.22 O ATOM 1022 CB VAL A 73 44.119 -4.406 7.413 1.00 52.22 C ATOM 1023 CG1 VAL A 73 43.274 -5.219 8.382 1.00 4.00 C ATOM 1024 CG2 VAL A 73 43.451 -4.326 6.048 1.00 12.45 C ATOM 0 H VAL A 73 44.608 -3.350 10.025 1.00 64.23 H new ATOM 0 HA VAL A 73 44.968 -2.428 7.254 1.00 65.53 H new ATOM 0 HB VAL A 73 45.078 -4.910 7.294 1.00 52.22 H new ATOM 0 HG11 VAL A 73 43.104 -6.214 7.970 1.00 4.00 H new ATOM 0 HG12 VAL A 73 43.795 -5.305 9.336 1.00 4.00 H new ATOM 0 HG13 VAL A 73 42.316 -4.722 8.535 1.00 4.00 H new ATOM 0 HG21 VAL A 73 43.278 -5.333 5.668 1.00 12.45 H new ATOM 0 HG22 VAL A 73 42.498 -3.804 6.139 1.00 12.45 H new ATOM 0 HG23 VAL A 73 44.097 -3.784 5.358 1.00 12.45 H new ATOM 1034 N LYS A 74 42.625 -1.509 7.190 1.00 52.14 N ATOM 1035 CA LYS A 74 41.363 -0.782 7.262 1.00 32.34 C ATOM 1036 C LYS A 74 40.414 -1.228 6.154 1.00 11.43 C ATOM 1037 O LYS A 74 40.688 -1.028 4.971 1.00 40.41 O ATOM 1038 CB LYS A 74 41.612 0.724 7.161 1.00 55.35 C ATOM 1039 CG LYS A 74 42.891 1.177 7.843 1.00 14.21 C ATOM 1040 CD LYS A 74 42.879 0.845 9.326 1.00 63.53 C ATOM 1041 CE LYS A 74 41.876 1.702 10.082 1.00 74.44 C ATOM 1042 NZ LYS A 74 42.130 3.156 9.887 1.00 62.21 N ATOM 0 H LYS A 74 43.147 -1.361 6.326 1.00 52.14 H new ATOM 0 HA LYS A 74 40.899 -1.003 8.223 1.00 32.34 H new ATOM 0 HB2 LYS A 74 41.651 1.007 6.109 1.00 55.35 H new ATOM 0 HB3 LYS A 74 40.768 1.254 7.602 1.00 55.35 H new ATOM 0 HG2 LYS A 74 43.747 0.697 7.369 1.00 14.21 H new ATOM 0 HG3 LYS A 74 43.014 2.252 7.711 1.00 14.21 H new ATOM 0 HD2 LYS A 74 42.634 -0.208 9.462 1.00 63.53 H new ATOM 0 HD3 LYS A 74 43.875 0.997 9.742 1.00 63.53 H new ATOM 0 HE2 LYS A 74 40.867 1.461 9.746 1.00 74.44 H new ATOM 0 HE3 LYS A 74 41.924 1.464 11.145 1.00 74.44 H new ATOM 0 HZ1 LYS A 74 41.659 3.695 10.642 1.00 62.21 H new ATOM 0 HZ2 LYS A 74 43.154 3.337 9.919 1.00 62.21 H new ATOM 0 HZ3 LYS A 74 41.755 3.453 8.964 1.00 62.21 H new ATOM 1056 N VAL A 75 39.296 -1.831 6.546 1.00 61.24 N ATOM 1057 CA VAL A 75 38.305 -2.302 5.585 1.00 22.34 C ATOM 1058 C VAL A 75 37.144 -1.322 5.468 1.00 12.33 C ATOM 1059 O VAL A 75 36.648 -0.805 6.471 1.00 64.44 O ATOM 1060 CB VAL A 75 37.756 -3.687 5.979 1.00 43.41 C ATOM 1061 CG1 VAL A 75 38.895 -4.673 6.189 1.00 41.20 C ATOM 1062 CG2 VAL A 75 36.894 -3.582 7.227 1.00 15.04 C ATOM 0 H VAL A 75 39.054 -2.005 7.521 1.00 61.24 H new ATOM 0 HA VAL A 75 38.809 -2.379 4.622 1.00 22.34 H new ATOM 0 HB VAL A 75 37.133 -4.057 5.165 1.00 43.41 H new ATOM 0 HG11 VAL A 75 38.488 -5.645 6.467 1.00 41.20 H new ATOM 0 HG12 VAL A 75 39.468 -4.769 5.267 1.00 41.20 H new ATOM 0 HG13 VAL A 75 39.547 -4.312 6.985 1.00 41.20 H new ATOM 0 HG21 VAL A 75 36.514 -4.569 7.491 1.00 15.04 H new ATOM 0 HG22 VAL A 75 37.492 -3.191 8.050 1.00 15.04 H new ATOM 0 HG23 VAL A 75 36.057 -2.911 7.036 1.00 15.04 H new ATOM 1072 N THR A 76 36.712 -1.069 4.237 1.00 51.43 N ATOM 1073 CA THR A 76 35.609 -0.149 3.987 1.00 32.34 C ATOM 1074 C THR A 76 34.518 -0.812 3.154 1.00 21.52 C ATOM 1075 O THR A 76 34.805 -1.530 2.197 1.00 63.04 O ATOM 1076 CB THR A 76 36.090 1.122 3.264 1.00 50.53 C ATOM 1077 OG1 THR A 76 37.498 1.293 3.457 1.00 5.25 O ATOM 1078 CG2 THR A 76 35.350 2.349 3.776 1.00 42.12 C ATOM 0 H THR A 76 37.109 -1.489 3.397 1.00 51.43 H new ATOM 0 HA THR A 76 35.202 0.128 4.960 1.00 32.34 H new ATOM 0 HB THR A 76 35.881 1.009 2.200 1.00 50.53 H new ATOM 0 HG1 THR A 76 37.796 2.103 2.992 1.00 5.25 H new ATOM 0 HG21 THR A 76 35.707 3.235 3.250 1.00 42.12 H new ATOM 0 HG22 THR A 76 34.281 2.229 3.600 1.00 42.12 H new ATOM 0 HG23 THR A 76 35.531 2.464 4.845 1.00 42.12 H new ATOM 1086 N ALA A 77 33.266 -0.567 3.525 1.00 75.24 N ATOM 1087 CA ALA A 77 32.132 -1.139 2.809 1.00 15.30 C ATOM 1088 C ALA A 77 30.933 -0.197 2.838 1.00 13.23 C ATOM 1089 O ALA A 77 30.783 0.604 3.761 1.00 51.20 O ATOM 1090 CB ALA A 77 31.759 -2.489 3.403 1.00 31.01 C ATOM 0 H ALA A 77 33.011 0.023 4.317 1.00 75.24 H new ATOM 0 HA ALA A 77 32.425 -1.281 1.769 1.00 15.30 H new ATOM 0 HB1 ALA A 77 30.911 -2.904 2.859 1.00 31.01 H new ATOM 0 HB2 ALA A 77 32.608 -3.168 3.325 1.00 31.01 H new ATOM 0 HB3 ALA A 77 31.490 -2.363 4.452 1.00 31.01 H new ATOM 1096 N SER A 78 30.082 -0.298 1.822 1.00 15.24 N ATOM 1097 CA SER A 78 28.898 0.549 1.730 1.00 72.32 C ATOM 1098 C SER A 78 27.740 -0.205 1.082 1.00 21.25 C ATOM 1099 O SER A 78 27.930 -0.947 0.118 1.00 2.20 O ATOM 1100 CB SER A 78 29.211 1.813 0.927 1.00 75.12 C ATOM 1101 OG SER A 78 28.158 2.756 1.031 1.00 44.40 O ATOM 0 H SER A 78 30.190 -0.957 1.051 1.00 15.24 H new ATOM 0 HA SER A 78 28.604 0.832 2.741 1.00 72.32 H new ATOM 0 HB2 SER A 78 30.138 2.257 1.289 1.00 75.12 H new ATOM 0 HB3 SER A 78 29.369 1.553 -0.120 1.00 75.12 H new ATOM 0 HG SER A 78 28.382 3.556 0.511 1.00 44.40 H new ATOM 1107 N ILE A 79 26.541 -0.010 1.620 1.00 11.32 N ATOM 1108 CA ILE A 79 25.352 -0.670 1.095 1.00 0.32 C ATOM 1109 C ILE A 79 24.174 0.296 1.022 1.00 43.22 C ATOM 1110 O ILE A 79 23.749 0.851 2.034 1.00 0.11 O ATOM 1111 CB ILE A 79 24.954 -1.882 1.957 1.00 21.23 C ATOM 1112 CG1 ILE A 79 23.623 -2.463 1.476 1.00 62.34 C ATOM 1113 CG2 ILE A 79 24.865 -1.484 3.423 1.00 51.42 C ATOM 1114 CD1 ILE A 79 23.365 -3.870 1.968 1.00 72.25 C ATOM 0 H ILE A 79 26.367 0.600 2.419 1.00 11.32 H new ATOM 0 HA ILE A 79 25.600 -1.014 0.091 1.00 0.32 H new ATOM 0 HB ILE A 79 25.722 -2.649 1.855 1.00 21.23 H new ATOM 0 HG12 ILE A 79 22.812 -1.816 1.809 1.00 62.34 H new ATOM 0 HG13 ILE A 79 23.607 -2.459 0.386 1.00 62.34 H new ATOM 0 HG21 ILE A 79 24.583 -2.352 4.019 1.00 51.42 H new ATOM 0 HG22 ILE A 79 25.833 -1.113 3.759 1.00 51.42 H new ATOM 0 HG23 ILE A 79 24.115 -0.702 3.543 1.00 51.42 H new ATOM 0 HD11 ILE A 79 22.404 -4.218 1.588 1.00 72.25 H new ATOM 0 HD12 ILE A 79 24.156 -4.530 1.613 1.00 72.25 H new ATOM 0 HD13 ILE A 79 23.349 -3.877 3.058 1.00 72.25 H new ATOM 1126 N GLY A 80 23.650 0.491 -0.184 1.00 52.05 N ATOM 1127 CA GLY A 80 22.525 1.389 -0.368 1.00 35.12 C ATOM 1128 C GLY A 80 22.778 2.763 0.220 1.00 55.14 C ATOM 1129 O GLY A 80 23.484 3.578 -0.372 1.00 11.40 O ATOM 0 H GLY A 80 23.985 0.043 -1.037 1.00 52.05 H new ATOM 0 HA2 GLY A 80 22.312 1.486 -1.433 1.00 35.12 H new ATOM 0 HA3 GLY A 80 21.639 0.956 0.096 1.00 35.12 H new ATOM 1133 N GLY A 81 22.197 3.022 1.388 1.00 64.13 N ATOM 1134 CA GLY A 81 22.374 4.309 2.035 1.00 63.31 C ATOM 1135 C GLY A 81 23.198 4.211 3.304 1.00 41.35 C ATOM 1136 O GLY A 81 23.701 5.218 3.804 1.00 70.04 O ATOM 0 H GLY A 81 21.607 2.364 1.897 1.00 64.13 H new ATOM 0 HA2 GLY A 81 22.859 4.997 1.342 1.00 63.31 H new ATOM 0 HA3 GLY A 81 21.397 4.731 2.271 1.00 63.31 H new ATOM 1140 N ILE A 82 23.336 2.997 3.826 1.00 15.41 N ATOM 1141 CA ILE A 82 24.104 2.773 5.044 1.00 15.25 C ATOM 1142 C ILE A 82 25.450 2.128 4.735 1.00 71.23 C ATOM 1143 O ILE A 82 25.559 1.302 3.829 1.00 50.24 O ATOM 1144 CB ILE A 82 23.336 1.881 6.038 1.00 53.22 C ATOM 1145 CG1 ILE A 82 22.139 2.638 6.617 1.00 10.41 C ATOM 1146 CG2 ILE A 82 24.260 1.410 7.150 1.00 23.04 C ATOM 1147 CD1 ILE A 82 20.977 2.759 5.656 1.00 64.03 C ATOM 0 H ILE A 82 22.926 2.154 3.424 1.00 15.41 H new ATOM 0 HA ILE A 82 24.268 3.751 5.497 1.00 15.25 H new ATOM 0 HB ILE A 82 22.965 1.005 5.506 1.00 53.22 H new ATOM 0 HG12 ILE A 82 21.801 2.130 7.520 1.00 10.41 H new ATOM 0 HG13 ILE A 82 22.460 3.637 6.913 1.00 10.41 H new ATOM 0 HG21 ILE A 82 23.703 0.781 7.844 1.00 23.04 H new ATOM 0 HG22 ILE A 82 25.083 0.837 6.722 1.00 23.04 H new ATOM 0 HG23 ILE A 82 24.658 2.274 7.683 1.00 23.04 H new ATOM 0 HD11 ILE A 82 20.165 3.307 6.134 1.00 64.03 H new ATOM 0 HD12 ILE A 82 21.298 3.293 4.762 1.00 64.03 H new ATOM 0 HD13 ILE A 82 20.629 1.764 5.378 1.00 64.03 H new ATOM 1159 N GLN A 83 26.472 2.509 5.495 1.00 74.04 N ATOM 1160 CA GLN A 83 27.811 1.966 5.301 1.00 11.04 C ATOM 1161 C GLN A 83 28.545 1.843 6.632 1.00 24.43 C ATOM 1162 O GLN A 83 28.157 2.454 7.626 1.00 13.44 O ATOM 1163 CB GLN A 83 28.610 2.852 4.345 1.00 43.15 C ATOM 1164 CG GLN A 83 28.542 4.332 4.685 1.00 13.11 C ATOM 1165 CD GLN A 83 29.431 5.178 3.795 1.00 25.54 C ATOM 1166 OE1 GLN A 83 30.398 4.683 3.215 1.00 5.12 O ATOM 1167 NE2 GLN A 83 29.109 6.461 3.683 1.00 74.33 N ATOM 0 H GLN A 83 26.398 3.191 6.250 1.00 74.04 H new ATOM 0 HA GLN A 83 27.713 0.971 4.866 1.00 11.04 H new ATOM 0 HB2 GLN A 83 29.652 2.534 4.354 1.00 43.15 H new ATOM 0 HB3 GLN A 83 28.240 2.704 3.331 1.00 43.15 H new ATOM 0 HG2 GLN A 83 27.511 4.675 4.593 1.00 13.11 H new ATOM 0 HG3 GLN A 83 28.834 4.475 5.725 1.00 13.11 H new ATOM 0 HE21 GLN A 83 28.299 6.829 4.182 1.00 74.33 H new ATOM 0 HE22 GLN A 83 29.672 7.079 3.098 1.00 74.33 H new ATOM 1176 N GLY A 84 29.610 1.046 6.644 1.00 41.13 N ATOM 1177 CA GLY A 84 30.382 0.856 7.858 1.00 12.50 C ATOM 1178 C GLY A 84 31.811 0.438 7.577 1.00 4.31 C ATOM 1179 O GLY A 84 32.123 -0.039 6.486 1.00 33.11 O ATOM 0 H GLY A 84 29.952 0.529 5.834 1.00 41.13 H new ATOM 0 HA2 GLY A 84 30.384 1.782 8.432 1.00 12.50 H new ATOM 0 HA3 GLY A 84 29.900 0.099 8.476 1.00 12.50 H new ATOM 1183 N SER A 85 32.684 0.619 8.563 1.00 11.34 N ATOM 1184 CA SER A 85 34.090 0.262 8.415 1.00 0.42 C ATOM 1185 C SER A 85 34.662 -0.252 9.733 1.00 52.02 C ATOM 1186 O SER A 85 34.427 0.327 10.794 1.00 34.11 O ATOM 1187 CB SER A 85 34.896 1.470 7.933 1.00 24.20 C ATOM 1188 OG SER A 85 34.098 2.640 7.911 1.00 50.43 O ATOM 0 H SER A 85 32.442 1.011 9.473 1.00 11.34 H new ATOM 0 HA SER A 85 34.161 -0.534 7.673 1.00 0.42 H new ATOM 0 HB2 SER A 85 35.754 1.623 8.588 1.00 24.20 H new ATOM 0 HB3 SER A 85 35.288 1.275 6.935 1.00 24.20 H new ATOM 0 HG SER A 85 34.637 3.398 7.601 1.00 50.43 H new ATOM 1194 N THR A 86 35.415 -1.345 9.657 1.00 0.14 N ATOM 1195 CA THR A 86 36.020 -1.939 10.842 1.00 21.44 C ATOM 1196 C THR A 86 37.539 -1.818 10.804 1.00 61.21 C ATOM 1197 O THR A 86 38.137 -1.731 9.731 1.00 4.04 O ATOM 1198 CB THR A 86 35.638 -3.425 10.983 1.00 64.22 C ATOM 1199 OG1 THR A 86 36.379 -4.212 10.044 1.00 64.14 O ATOM 1200 CG2 THR A 86 34.148 -3.625 10.755 1.00 53.21 C ATOM 0 H THR A 86 35.620 -1.836 8.787 1.00 0.14 H new ATOM 0 HA THR A 86 35.636 -1.389 11.702 1.00 21.44 H new ATOM 0 HB THR A 86 35.880 -3.745 11.996 1.00 64.22 H new ATOM 0 HG1 THR A 86 35.841 -4.983 9.766 1.00 64.14 H new ATOM 0 HG21 THR A 86 33.903 -4.682 10.860 1.00 53.21 H new ATOM 0 HG22 THR A 86 33.587 -3.048 11.490 1.00 53.21 H new ATOM 0 HG23 THR A 86 33.885 -3.289 9.752 1.00 53.21 H new ATOM 1208 N ASP A 87 38.158 -1.814 11.980 1.00 75.05 N ATOM 1209 CA ASP A 87 39.608 -1.705 12.080 1.00 63.31 C ATOM 1210 C ASP A 87 40.217 -3.007 12.594 1.00 55.43 C ATOM 1211 O ASP A 87 39.822 -3.517 13.642 1.00 35.31 O ATOM 1212 CB ASP A 87 39.992 -0.549 13.004 1.00 13.24 C ATOM 1213 CG ASP A 87 41.469 -0.217 12.935 1.00 65.50 C ATOM 1214 OD1 ASP A 87 42.159 -0.761 12.046 1.00 14.21 O ATOM 1215 OD2 ASP A 87 41.937 0.586 13.769 1.00 72.31 O ATOM 0 H ASP A 87 37.678 -1.885 12.877 1.00 75.05 H new ATOM 0 HA ASP A 87 40.002 -1.509 11.083 1.00 63.31 H new ATOM 0 HB2 ASP A 87 39.412 0.334 12.736 1.00 13.24 H new ATOM 0 HB3 ASP A 87 39.728 -0.805 14.030 1.00 13.24 H new ATOM 1220 N PHE A 88 41.179 -3.539 11.848 1.00 40.11 N ATOM 1221 CA PHE A 88 41.841 -4.782 12.227 1.00 74.02 C ATOM 1222 C PHE A 88 43.347 -4.579 12.355 1.00 65.12 C ATOM 1223 O PHE A 88 44.036 -4.310 11.370 1.00 15.50 O ATOM 1224 CB PHE A 88 41.547 -5.875 11.197 1.00 45.12 C ATOM 1225 CG PHE A 88 40.376 -6.742 11.560 1.00 63.31 C ATOM 1226 CD1 PHE A 88 40.334 -7.397 12.780 1.00 23.40 C ATOM 1227 CD2 PHE A 88 39.317 -6.903 10.681 1.00 44.03 C ATOM 1228 CE1 PHE A 88 39.258 -8.196 13.117 1.00 32.05 C ATOM 1229 CE2 PHE A 88 38.238 -7.700 11.013 1.00 42.12 C ATOM 1230 CZ PHE A 88 38.209 -8.348 12.232 1.00 31.21 C ATOM 0 H PHE A 88 41.518 -3.129 10.978 1.00 40.11 H new ATOM 0 HA PHE A 88 41.451 -5.092 13.197 1.00 74.02 H new ATOM 0 HB2 PHE A 88 41.358 -5.410 10.229 1.00 45.12 H new ATOM 0 HB3 PHE A 88 42.431 -6.502 11.082 1.00 45.12 H new ATOM 0 HD1 PHE A 88 41.152 -7.282 13.476 1.00 23.40 H new ATOM 0 HD2 PHE A 88 39.335 -6.400 9.726 1.00 44.03 H new ATOM 0 HE1 PHE A 88 39.238 -8.701 14.071 1.00 32.05 H new ATOM 0 HE2 PHE A 88 37.418 -7.816 10.320 1.00 42.12 H new ATOM 0 HZ PHE A 88 37.367 -8.973 12.493 1.00 31.21 H new ATOM 1240 N LYS A 89 43.854 -4.710 13.576 1.00 23.01 N ATOM 1241 CA LYS A 89 45.279 -4.542 13.836 1.00 62.33 C ATOM 1242 C LYS A 89 45.883 -5.822 14.407 1.00 55.44 C ATOM 1243 O LYS A 89 45.547 -6.237 15.516 1.00 40.11 O ATOM 1244 CB LYS A 89 45.509 -3.381 14.805 1.00 14.33 C ATOM 1245 CG LYS A 89 45.481 -2.017 14.138 1.00 52.32 C ATOM 1246 CD LYS A 89 46.602 -1.125 14.645 1.00 55.30 C ATOM 1247 CE LYS A 89 46.482 0.288 14.094 1.00 64.12 C ATOM 1248 NZ LYS A 89 47.797 0.817 13.634 1.00 35.25 N ATOM 0 H LYS A 89 43.299 -4.932 14.402 1.00 23.01 H new ATOM 0 HA LYS A 89 45.771 -4.320 12.889 1.00 62.33 H new ATOM 0 HB2 LYS A 89 44.746 -3.411 15.583 1.00 14.33 H new ATOM 0 HB3 LYS A 89 46.472 -3.515 15.298 1.00 14.33 H new ATOM 0 HG2 LYS A 89 45.570 -2.137 13.058 1.00 52.32 H new ATOM 0 HG3 LYS A 89 44.520 -1.538 14.327 1.00 52.32 H new ATOM 0 HD2 LYS A 89 46.580 -1.095 15.734 1.00 55.30 H new ATOM 0 HD3 LYS A 89 47.564 -1.549 14.357 1.00 55.30 H new ATOM 0 HE2 LYS A 89 45.777 0.295 13.263 1.00 64.12 H new ATOM 0 HE3 LYS A 89 46.075 0.945 14.863 1.00 64.12 H new ATOM 0 HZ1 LYS A 89 47.940 1.773 14.017 1.00 35.25 H new ATOM 0 HZ2 LYS A 89 48.559 0.193 13.968 1.00 35.25 H new ATOM 0 HZ3 LYS A 89 47.812 0.855 12.595 1.00 35.25 H new ATOM 1262 N VAL A 90 46.776 -6.442 13.642 1.00 12.21 N ATOM 1263 CA VAL A 90 47.428 -7.673 14.073 1.00 10.52 C ATOM 1264 C VAL A 90 48.751 -7.378 14.771 1.00 62.02 C ATOM 1265 O VAL A 90 49.627 -6.716 14.213 1.00 52.23 O ATOM 1266 CB VAL A 90 47.686 -8.617 12.884 1.00 21.13 C ATOM 1267 CG1 VAL A 90 48.401 -9.877 13.348 1.00 0.15 C ATOM 1268 CG2 VAL A 90 46.380 -8.962 12.185 1.00 31.33 C ATOM 0 H VAL A 90 47.064 -6.112 12.721 1.00 12.21 H new ATOM 0 HA VAL A 90 46.752 -8.161 14.774 1.00 10.52 H new ATOM 0 HB VAL A 90 48.330 -8.105 12.169 1.00 21.13 H new ATOM 0 HG11 VAL A 90 48.575 -10.532 12.494 1.00 0.15 H new ATOM 0 HG12 VAL A 90 49.356 -9.608 13.799 1.00 0.15 H new ATOM 0 HG13 VAL A 90 47.785 -10.395 14.083 1.00 0.15 H new ATOM 0 HG21 VAL A 90 46.581 -9.630 11.347 1.00 31.33 H new ATOM 0 HG22 VAL A 90 45.710 -9.455 12.889 1.00 31.33 H new ATOM 0 HG23 VAL A 90 45.912 -8.049 11.817 1.00 31.33 H new ATOM 1278 N THR A 91 48.892 -7.875 15.996 1.00 55.20 N ATOM 1279 CA THR A 91 50.108 -7.665 16.771 1.00 14.12 C ATOM 1280 C THR A 91 50.595 -8.968 17.393 1.00 62.51 C ATOM 1281 O THR A 91 49.795 -9.791 17.838 1.00 63.01 O ATOM 1282 CB THR A 91 49.890 -6.627 17.888 1.00 53.40 C ATOM 1283 OG1 THR A 91 48.725 -6.963 18.649 1.00 34.33 O ATOM 1284 CG2 THR A 91 49.735 -5.230 17.306 1.00 50.24 C ATOM 0 H THR A 91 48.178 -8.426 16.473 1.00 55.20 H new ATOM 0 HA THR A 91 50.863 -7.291 16.079 1.00 14.12 H new ATOM 0 HB THR A 91 50.764 -6.638 18.539 1.00 53.40 H new ATOM 0 HG1 THR A 91 48.595 -6.299 19.358 1.00 34.33 H new ATOM 0 HG21 THR A 91 49.582 -4.514 18.114 1.00 50.24 H new ATOM 0 HG22 THR A 91 50.635 -4.965 16.752 1.00 50.24 H new ATOM 0 HG23 THR A 91 48.876 -5.209 16.635 1.00 50.24 H new ATOM 1292 N GLN A 92 51.912 -9.149 17.421 1.00 73.43 N ATOM 1293 CA GLN A 92 52.505 -10.354 17.989 1.00 72.33 C ATOM 1294 C GLN A 92 52.489 -10.302 19.513 1.00 61.32 C ATOM 1295 O GLN A 92 52.807 -9.275 20.113 1.00 44.12 O ATOM 1296 CB GLN A 92 53.940 -10.527 17.487 1.00 14.12 C ATOM 1297 CG GLN A 92 54.655 -11.725 18.090 1.00 73.40 C ATOM 1298 CD GLN A 92 55.328 -11.401 19.409 1.00 14.30 C ATOM 1299 OE1 GLN A 92 56.312 -10.662 19.452 1.00 61.42 O ATOM 1300 NE2 GLN A 92 54.799 -11.952 20.495 1.00 14.22 N ATOM 0 H GLN A 92 52.588 -8.477 17.057 1.00 73.43 H new ATOM 0 HA GLN A 92 51.910 -11.208 17.667 1.00 72.33 H new ATOM 0 HB2 GLN A 92 53.927 -10.631 16.402 1.00 14.12 H new ATOM 0 HB3 GLN A 92 54.507 -9.624 17.714 1.00 14.12 H new ATOM 0 HG2 GLN A 92 53.939 -12.532 18.241 1.00 73.40 H new ATOM 0 HG3 GLN A 92 55.402 -12.090 17.385 1.00 73.40 H new ATOM 0 HE21 GLN A 92 53.983 -12.558 20.413 1.00 14.22 H new ATOM 0 HE22 GLN A 92 55.209 -11.769 21.411 1.00 14.22 H new