USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 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 33 LYS NZ :NH3+ -121:sc= 0.96 (180deg=-1.67!) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.966 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot -166:sc= 0.264 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 17 THR OG1 : rot 55:sc= 0.00648 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.732 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.215 (180deg=-0.999) USER MOD Single : A 30 GLN : amide:sc= -0.848 K(o=-0.85,f=-3.1!) USER MOD Single : A 43 GLN : amide:sc= -9.43! C(o=-9.4!,f=-8.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 70 THR OG1 : rot 111:sc= -1.83! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -140:sc= -2.83 (180deg=-11!) USER MOD Single : A 75 MET CE :methyl 172:sc= -0.0561 (180deg=-0.204) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 5.211 1.147 -3.156 1.00 13.22 N ATOM 19 CA ALA A 2 5.902 2.419 -3.326 1.00 2.03 C ATOM 20 C ALA A 2 4.992 3.457 -3.974 1.00 32.42 C ATOM 21 O ALA A 2 4.158 3.125 -4.818 1.00 1.31 O ATOM 22 CB ALA A 2 7.163 2.228 -4.156 1.00 74.32 C ATOM 0 HA ALA A 2 6.182 2.786 -2.339 1.00 2.03 H new ATOM 0 HB1 ALA A 2 7.669 3.186 -4.275 1.00 74.32 H new ATOM 0 HB2 ALA A 2 7.828 1.527 -3.652 1.00 74.32 H new ATOM 0 HB3 ALA A 2 6.897 1.834 -5.137 1.00 74.32 H new ATOM 28 N LEU A 3 5.156 4.713 -3.574 1.00 33.31 N ATOM 29 CA LEU A 3 4.348 5.800 -4.116 1.00 33.23 C ATOM 30 C LEU A 3 5.160 6.651 -5.086 1.00 63.12 C ATOM 31 O LEU A 3 6.068 7.385 -4.696 1.00 42.31 O ATOM 32 CB LEU A 3 3.807 6.674 -2.982 1.00 63.44 C ATOM 33 CG LEU A 3 2.488 6.220 -2.356 1.00 3.13 C ATOM 34 CD1 LEU A 3 1.310 6.684 -3.198 1.00 31.21 C ATOM 35 CD2 LEU A 3 2.467 4.707 -2.193 1.00 45.30 C ATOM 0 H LEU A 3 5.841 5.004 -2.876 1.00 33.31 H new ATOM 0 HA LEU A 3 3.511 5.361 -4.660 1.00 33.23 H new ATOM 0 HB2 LEU A 3 4.561 6.723 -2.196 1.00 63.44 H new ATOM 0 HB3 LEU A 3 3.676 7.687 -3.362 1.00 63.44 H new ATOM 0 HG LEU A 3 2.402 6.672 -1.368 1.00 3.13 H new ATOM 0 HD11 LEU A 3 0.380 6.352 -2.737 1.00 31.21 H new ATOM 0 HD12 LEU A 3 1.315 7.772 -3.262 1.00 31.21 H new ATOM 0 HD13 LEU A 3 1.390 6.261 -4.200 1.00 31.21 H new ATOM 0 HD21 LEU A 3 1.521 4.402 -1.746 1.00 45.30 H new ATOM 0 HD22 LEU A 3 2.576 4.234 -3.169 1.00 45.30 H new ATOM 0 HD23 LEU A 3 3.289 4.399 -1.547 1.00 45.30 H new ATOM 47 N PRO A 4 4.827 6.553 -6.382 1.00 13.13 N ATOM 48 CA PRO A 4 5.511 7.309 -7.435 1.00 24.13 C ATOM 49 C PRO A 4 5.207 8.802 -7.368 1.00 22.40 C ATOM 50 O PRO A 4 4.181 9.212 -6.825 1.00 31.41 O ATOM 51 CB PRO A 4 4.951 6.706 -8.725 1.00 42.24 C ATOM 52 CG PRO A 4 3.619 6.162 -8.342 1.00 34.40 C ATOM 53 CD PRO A 4 3.755 5.697 -6.918 1.00 50.52 C ATOM 0 HA PRO A 4 6.595 7.236 -7.350 1.00 24.13 H new ATOM 0 HB2 PRO A 4 4.861 7.459 -9.507 1.00 42.24 H new ATOM 0 HB3 PRO A 4 5.603 5.922 -9.111 1.00 42.24 H new ATOM 0 HG2 PRO A 4 2.846 6.925 -8.431 1.00 34.40 H new ATOM 0 HG3 PRO A 4 3.331 5.339 -8.996 1.00 34.40 H new ATOM 0 HD2 PRO A 4 2.825 5.823 -6.363 1.00 50.52 H new ATOM 0 HD3 PRO A 4 4.019 4.641 -6.863 1.00 50.52 H new ATOM 61 N ILE A 5 6.105 9.609 -7.923 1.00 75.15 N ATOM 62 CA ILE A 5 5.930 11.056 -7.928 1.00 2.11 C ATOM 63 C ILE A 5 6.587 11.685 -9.152 1.00 52.10 C ATOM 64 O ILE A 5 7.703 11.322 -9.526 1.00 14.34 O ATOM 65 CB ILE A 5 6.518 11.698 -6.657 1.00 62.23 C ATOM 66 CG1 ILE A 5 5.905 11.062 -5.408 1.00 15.41 C ATOM 67 CG2 ILE A 5 6.281 13.201 -6.665 1.00 22.43 C ATOM 68 CD1 ILE A 5 6.331 11.730 -4.119 1.00 71.31 C ATOM 0 H ILE A 5 6.960 9.286 -8.375 1.00 75.15 H new ATOM 0 HA ILE A 5 4.857 11.244 -7.958 1.00 2.11 H new ATOM 0 HB ILE A 5 7.593 11.520 -6.641 1.00 62.23 H new ATOM 0 HG12 ILE A 5 4.819 11.101 -5.486 1.00 15.41 H new ATOM 0 HG13 ILE A 5 6.184 10.009 -5.372 1.00 15.41 H new ATOM 0 HG21 ILE A 5 6.702 13.641 -5.761 1.00 22.43 H new ATOM 0 HG22 ILE A 5 6.761 13.640 -7.539 1.00 22.43 H new ATOM 0 HG23 ILE A 5 5.210 13.400 -6.701 1.00 22.43 H new ATOM 0 HD11 ILE A 5 5.858 11.227 -3.275 1.00 71.31 H new ATOM 0 HD12 ILE A 5 7.415 11.668 -4.018 1.00 71.31 H new ATOM 0 HD13 ILE A 5 6.027 12.777 -4.134 1.00 71.31 H new ATOM 80 N ILE A 6 5.888 12.631 -9.771 1.00 70.51 N ATOM 81 CA ILE A 6 6.404 13.312 -10.951 1.00 45.34 C ATOM 82 C ILE A 6 7.085 14.624 -10.575 1.00 12.02 C ATOM 83 O ILE A 6 6.613 15.353 -9.702 1.00 73.31 O ATOM 84 CB ILE A 6 5.286 13.601 -11.969 1.00 55.25 C ATOM 85 CG1 ILE A 6 4.906 12.323 -12.720 1.00 25.21 C ATOM 86 CG2 ILE A 6 5.723 14.684 -12.944 1.00 40.23 C ATOM 87 CD1 ILE A 6 3.414 12.094 -12.809 1.00 12.33 C ATOM 0 H ILE A 6 4.963 12.943 -9.474 1.00 70.51 H new ATOM 0 HA ILE A 6 7.134 12.643 -11.406 1.00 45.34 H new ATOM 0 HB ILE A 6 4.409 13.958 -11.430 1.00 55.25 H new ATOM 0 HG12 ILE A 6 5.319 12.367 -13.728 1.00 25.21 H new ATOM 0 HG13 ILE A 6 5.367 11.469 -12.224 1.00 25.21 H new ATOM 0 HG21 ILE A 6 4.921 14.877 -13.657 1.00 40.23 H new ATOM 0 HG22 ILE A 6 5.948 15.598 -12.395 1.00 40.23 H new ATOM 0 HG23 ILE A 6 6.613 14.354 -13.479 1.00 40.23 H new ATOM 0 HD11 ILE A 6 3.220 11.170 -13.354 1.00 12.33 H new ATOM 0 HD12 ILE A 6 2.997 12.017 -11.805 1.00 12.33 H new ATOM 0 HD13 ILE A 6 2.948 12.929 -13.332 1.00 12.33 H new ATOM 99 N VAL A 7 8.197 14.920 -11.240 1.00 53.15 N ATOM 100 CA VAL A 7 8.941 16.146 -10.978 1.00 63.12 C ATOM 101 C VAL A 7 9.188 16.925 -12.265 1.00 50.12 C ATOM 102 O VAL A 7 9.766 16.403 -13.219 1.00 53.52 O ATOM 103 CB VAL A 7 10.294 15.848 -10.304 1.00 72.34 C ATOM 104 CG1 VAL A 7 11.141 14.942 -11.185 1.00 20.33 C ATOM 105 CG2 VAL A 7 11.030 17.142 -9.993 1.00 20.15 C ATOM 0 H VAL A 7 8.603 14.327 -11.964 1.00 53.15 H new ATOM 0 HA VAL A 7 8.332 16.748 -10.304 1.00 63.12 H new ATOM 0 HB VAL A 7 10.106 15.329 -9.364 1.00 72.34 H new ATOM 0 HG11 VAL A 7 12.093 14.742 -10.693 1.00 20.33 H new ATOM 0 HG12 VAL A 7 10.615 14.002 -11.353 1.00 20.33 H new ATOM 0 HG13 VAL A 7 11.323 15.431 -12.142 1.00 20.33 H new ATOM 0 HG21 VAL A 7 11.984 16.913 -9.517 1.00 20.15 H new ATOM 0 HG22 VAL A 7 11.208 17.690 -10.918 1.00 20.15 H new ATOM 0 HG23 VAL A 7 10.426 17.751 -9.321 1.00 20.15 H new ATOM 115 N LYS A 8 8.747 18.178 -12.285 1.00 54.14 N ATOM 116 CA LYS A 8 8.920 19.032 -13.454 1.00 42.23 C ATOM 117 C LYS A 8 9.947 20.127 -13.181 1.00 32.32 C ATOM 118 O LYS A 8 9.784 20.926 -12.259 1.00 45.30 O ATOM 119 CB LYS A 8 7.584 19.661 -13.855 1.00 73.45 C ATOM 120 CG LYS A 8 7.010 20.593 -12.803 1.00 51.30 C ATOM 121 CD LYS A 8 5.491 20.561 -12.798 1.00 53.32 C ATOM 122 CE LYS A 8 4.913 21.356 -13.959 1.00 13.31 C ATOM 123 NZ LYS A 8 4.355 22.663 -13.513 1.00 2.21 N ATOM 0 H LYS A 8 8.267 18.625 -11.504 1.00 54.14 H new ATOM 0 HA LYS A 8 9.284 18.413 -14.274 1.00 42.23 H new ATOM 0 HB2 LYS A 8 7.717 20.214 -14.785 1.00 73.45 H new ATOM 0 HB3 LYS A 8 6.864 18.867 -14.057 1.00 73.45 H new ATOM 0 HG2 LYS A 8 7.384 20.307 -11.820 1.00 51.30 H new ATOM 0 HG3 LYS A 8 7.353 21.610 -12.991 1.00 51.30 H new ATOM 0 HD2 LYS A 8 5.148 19.528 -12.856 1.00 53.32 H new ATOM 0 HD3 LYS A 8 5.121 20.968 -11.857 1.00 53.32 H new ATOM 0 HE2 LYS A 8 5.690 21.528 -14.704 1.00 13.31 H new ATOM 0 HE3 LYS A 8 4.130 20.773 -14.444 1.00 13.31 H new ATOM 0 HZ1 LYS A 8 3.971 23.174 -14.333 1.00 2.21 H new ATOM 0 HZ2 LYS A 8 3.596 22.499 -12.821 1.00 2.21 H new ATOM 0 HZ3 LYS A 8 5.108 23.230 -13.073 1.00 2.21 H new ATOM 137 N TRP A 9 11.001 20.157 -13.988 1.00 3.15 N ATOM 138 CA TRP A 9 12.053 21.155 -13.833 1.00 4.24 C ATOM 139 C TRP A 9 12.275 21.919 -15.134 1.00 25.44 C ATOM 140 O TRP A 9 12.848 21.389 -16.085 1.00 74.12 O ATOM 141 CB TRP A 9 13.357 20.488 -13.390 1.00 35.04 C ATOM 142 CG TRP A 9 14.572 21.323 -13.657 1.00 62.33 C ATOM 143 CD1 TRP A 9 15.671 20.961 -14.383 1.00 24.35 C ATOM 144 CD2 TRP A 9 14.812 22.658 -13.201 1.00 40.52 C ATOM 145 NE1 TRP A 9 16.580 21.991 -14.405 1.00 2.14 N ATOM 146 CE2 TRP A 9 16.076 23.044 -13.688 1.00 43.20 C ATOM 147 CE3 TRP A 9 14.081 23.567 -12.431 1.00 22.12 C ATOM 148 CZ2 TRP A 9 16.623 24.298 -13.427 1.00 62.23 C ATOM 149 CZ3 TRP A 9 14.626 24.811 -12.173 1.00 35.52 C ATOM 150 CH2 TRP A 9 15.886 25.167 -12.670 1.00 51.23 C ATOM 0 H TRP A 9 11.150 19.502 -14.756 1.00 3.15 H new ATOM 0 HA TRP A 9 11.737 21.863 -13.067 1.00 4.24 H new ATOM 0 HB2 TRP A 9 13.301 20.271 -12.323 1.00 35.04 H new ATOM 0 HB3 TRP A 9 13.461 19.533 -13.905 1.00 35.04 H new ATOM 0 HD1 TRP A 9 15.806 20.006 -14.868 1.00 24.35 H new ATOM 0 HE1 TRP A 9 17.483 21.974 -14.878 1.00 2.14 H new ATOM 0 HE3 TRP A 9 13.108 23.302 -12.045 1.00 22.12 H new ATOM 0 HZ2 TRP A 9 17.595 24.575 -13.809 1.00 62.23 H new ATOM 0 HZ3 TRP A 9 14.070 25.521 -11.578 1.00 35.52 H new ATOM 0 HH2 TRP A 9 16.284 26.147 -12.451 1.00 51.23 H new ATOM 161 N GLY A 10 11.819 23.167 -15.168 1.00 1.12 N ATOM 162 CA GLY A 10 11.978 23.983 -16.358 1.00 21.44 C ATOM 163 C GLY A 10 10.757 23.943 -17.255 1.00 1.20 C ATOM 164 O GLY A 10 9.924 24.848 -17.221 1.00 71.34 O ATOM 0 H GLY A 10 11.342 23.628 -14.393 1.00 1.12 H new ATOM 0 HA2 GLY A 10 12.176 25.014 -16.064 1.00 21.44 H new ATOM 0 HA3 GLY A 10 12.848 23.639 -16.918 1.00 21.44 H new ATOM 168 N GLY A 11 10.651 22.892 -18.062 1.00 20.31 N ATOM 169 CA GLY A 11 9.521 22.759 -18.962 1.00 72.44 C ATOM 170 C GLY A 11 9.242 21.316 -19.333 1.00 75.41 C ATOM 171 O GLY A 11 8.583 21.043 -20.337 1.00 24.25 O ATOM 0 H GLY A 11 11.328 22.130 -18.108 1.00 20.31 H new ATOM 0 HA2 GLY A 11 8.635 23.188 -18.494 1.00 72.44 H new ATOM 0 HA3 GLY A 11 9.713 23.333 -19.868 1.00 72.44 H new ATOM 175 N GLN A 12 9.744 20.390 -18.522 1.00 43.14 N ATOM 176 CA GLN A 12 9.547 18.967 -18.773 1.00 12.33 C ATOM 177 C GLN A 12 9.023 18.263 -17.526 1.00 24.35 C ATOM 178 O GLN A 12 8.904 18.871 -16.462 1.00 62.44 O ATOM 179 CB GLN A 12 10.857 18.321 -19.226 1.00 40.01 C ATOM 180 CG GLN A 12 11.310 18.768 -20.607 1.00 2.25 C ATOM 181 CD GLN A 12 10.959 17.767 -21.689 1.00 72.20 C ATOM 182 OE1 GLN A 12 11.632 16.749 -21.851 1.00 62.33 O ATOM 183 NE2 GLN A 12 9.899 18.051 -22.437 1.00 62.22 N ATOM 0 H GLN A 12 10.290 20.600 -17.686 1.00 43.14 H new ATOM 0 HA GLN A 12 8.806 18.862 -19.566 1.00 12.33 H new ATOM 0 HB2 GLN A 12 11.638 18.556 -18.503 1.00 40.01 H new ATOM 0 HB3 GLN A 12 10.738 17.238 -19.225 1.00 40.01 H new ATOM 0 HG2 GLN A 12 10.851 19.728 -20.843 1.00 2.25 H new ATOM 0 HG3 GLN A 12 12.389 18.924 -20.598 1.00 2.25 H new ATOM 0 HE21 GLN A 12 9.370 18.906 -22.268 1.00 62.22 H new ATOM 0 HE22 GLN A 12 9.614 17.414 -23.181 1.00 62.22 H new ATOM 192 N GLU A 13 8.712 16.978 -17.664 1.00 63.33 N ATOM 193 CA GLU A 13 8.200 16.191 -16.548 1.00 44.50 C ATOM 194 C GLU A 13 8.936 14.859 -16.439 1.00 33.24 C ATOM 195 O GLU A 13 9.237 14.219 -17.447 1.00 2.24 O ATOM 196 CB GLU A 13 6.699 15.946 -16.714 1.00 42.02 C ATOM 197 CG GLU A 13 5.867 17.216 -16.674 1.00 53.52 C ATOM 198 CD GLU A 13 4.468 17.015 -17.225 1.00 2.13 C ATOM 199 OE1 GLU A 13 3.833 15.998 -16.875 1.00 41.43 O ATOM 200 OE2 GLU A 13 4.009 17.875 -18.005 1.00 41.23 O ATOM 0 H GLU A 13 8.806 16.460 -18.538 1.00 63.33 H new ATOM 0 HA GLU A 13 8.369 16.755 -15.631 1.00 44.50 H new ATOM 0 HB2 GLU A 13 6.525 15.438 -17.662 1.00 42.02 H new ATOM 0 HB3 GLU A 13 6.360 15.274 -15.925 1.00 42.02 H new ATOM 0 HG2 GLU A 13 5.801 17.570 -15.645 1.00 53.52 H new ATOM 0 HG3 GLU A 13 6.371 17.994 -17.247 1.00 53.52 H new ATOM 207 N TYR A 14 9.222 14.447 -15.209 1.00 15.05 N ATOM 208 CA TYR A 14 9.924 13.193 -14.966 1.00 61.44 C ATOM 209 C TYR A 14 9.252 12.398 -13.850 1.00 42.54 C ATOM 210 O TYR A 14 9.207 12.838 -12.701 1.00 60.53 O ATOM 211 CB TYR A 14 11.386 13.464 -14.606 1.00 33.40 C ATOM 212 CG TYR A 14 12.153 14.186 -15.691 1.00 30.55 C ATOM 213 CD1 TYR A 14 11.990 15.551 -15.893 1.00 22.34 C ATOM 214 CD2 TYR A 14 13.040 13.503 -16.514 1.00 33.22 C ATOM 215 CE1 TYR A 14 12.688 16.214 -16.883 1.00 5.53 C ATOM 216 CE2 TYR A 14 13.743 14.159 -17.505 1.00 63.43 C ATOM 217 CZ TYR A 14 13.564 15.514 -17.686 1.00 1.30 C ATOM 218 OH TYR A 14 14.262 16.171 -18.674 1.00 21.14 O ATOM 0 H TYR A 14 8.978 14.964 -14.364 1.00 15.05 H new ATOM 0 HA TYR A 14 9.885 12.602 -15.881 1.00 61.44 H new ATOM 0 HB2 TYR A 14 11.423 14.056 -13.692 1.00 33.40 H new ATOM 0 HB3 TYR A 14 11.880 12.516 -14.392 1.00 33.40 H new ATOM 0 HD1 TYR A 14 11.306 16.103 -15.265 1.00 22.34 H new ATOM 0 HD2 TYR A 14 13.182 12.441 -16.376 1.00 33.22 H new ATOM 0 HE1 TYR A 14 12.549 17.275 -17.028 1.00 5.53 H new ATOM 0 HE2 TYR A 14 14.430 13.613 -18.135 1.00 63.43 H new ATOM 0 HH TYR A 14 14.836 15.534 -19.148 1.00 21.14 H new ATOM 228 N SER A 15 8.732 11.226 -14.198 1.00 74.11 N ATOM 229 CA SER A 15 8.059 10.370 -13.228 1.00 11.34 C ATOM 230 C SER A 15 9.070 9.539 -12.443 1.00 53.24 C ATOM 231 O SER A 15 9.960 8.915 -13.021 1.00 55.05 O ATOM 232 CB SER A 15 7.062 9.449 -13.933 1.00 51.01 C ATOM 233 OG SER A 15 6.978 9.751 -15.315 1.00 64.22 O ATOM 0 H SER A 15 8.764 10.847 -15.144 1.00 74.11 H new ATOM 0 HA SER A 15 7.520 11.009 -12.529 1.00 11.34 H new ATOM 0 HB2 SER A 15 7.366 8.411 -13.802 1.00 51.01 H new ATOM 0 HB3 SER A 15 6.079 9.553 -13.474 1.00 51.01 H new ATOM 0 HG SER A 15 6.336 9.147 -15.743 1.00 64.22 H new ATOM 239 N VAL A 16 8.926 9.536 -11.122 1.00 13.21 N ATOM 240 CA VAL A 16 9.824 8.782 -10.257 1.00 25.34 C ATOM 241 C VAL A 16 9.272 7.390 -9.971 1.00 20.15 C ATOM 242 O VAL A 16 8.067 7.213 -9.787 1.00 61.13 O ATOM 243 CB VAL A 16 10.063 9.512 -8.922 1.00 33.14 C ATOM 244 CG1 VAL A 16 10.909 8.658 -7.989 1.00 55.02 C ATOM 245 CG2 VAL A 16 10.719 10.863 -9.163 1.00 64.44 C ATOM 0 H VAL A 16 8.195 10.048 -10.627 1.00 13.21 H new ATOM 0 HA VAL A 16 10.772 8.692 -10.788 1.00 25.34 H new ATOM 0 HB VAL A 16 9.098 9.682 -8.444 1.00 33.14 H new ATOM 0 HG11 VAL A 16 11.067 9.191 -7.051 1.00 55.02 H new ATOM 0 HG12 VAL A 16 10.395 7.718 -7.790 1.00 55.02 H new ATOM 0 HG13 VAL A 16 11.872 8.453 -8.457 1.00 55.02 H new ATOM 0 HG21 VAL A 16 10.880 11.365 -8.209 1.00 64.44 H new ATOM 0 HG22 VAL A 16 11.677 10.718 -9.663 1.00 64.44 H new ATOM 0 HG23 VAL A 16 10.071 11.476 -9.790 1.00 64.44 H new ATOM 255 N THR A 17 10.161 6.402 -9.933 1.00 3.32 N ATOM 256 CA THR A 17 9.763 5.025 -9.670 1.00 5.24 C ATOM 257 C THR A 17 10.882 4.251 -8.982 1.00 5.51 C ATOM 258 O THR A 17 11.753 3.681 -9.640 1.00 42.11 O ATOM 259 CB THR A 17 9.373 4.295 -10.969 1.00 0.14 C ATOM 260 OG1 THR A 17 10.249 4.686 -12.032 1.00 75.22 O ATOM 261 CG2 THR A 17 7.933 4.604 -11.351 1.00 23.51 C ATOM 0 H THR A 17 11.162 6.530 -10.081 1.00 3.32 H new ATOM 0 HA THR A 17 8.896 5.067 -9.011 1.00 5.24 H new ATOM 0 HB THR A 17 9.465 3.222 -10.800 1.00 0.14 H new ATOM 0 HG1 THR A 17 11.179 4.530 -11.764 1.00 75.22 H new ATOM 0 HG21 THR A 17 7.680 4.078 -12.271 1.00 23.51 H new ATOM 0 HG22 THR A 17 7.267 4.279 -10.552 1.00 23.51 H new ATOM 0 HG23 THR A 17 7.819 5.677 -11.504 1.00 23.51 H new ATOM 269 N THR A 18 10.854 4.235 -7.653 1.00 20.51 N ATOM 270 CA THR A 18 11.866 3.531 -6.876 1.00 24.14 C ATOM 271 C THR A 18 11.702 3.803 -5.385 1.00 23.13 C ATOM 272 O THR A 18 12.058 2.971 -4.549 1.00 13.14 O ATOM 273 CB THR A 18 13.288 3.937 -7.307 1.00 3.04 C ATOM 274 OG1 THR A 18 14.237 3.527 -6.315 1.00 73.02 O ATOM 275 CG2 THR A 18 13.382 5.441 -7.514 1.00 1.21 C ATOM 0 H THR A 18 10.141 4.702 -7.092 1.00 20.51 H new ATOM 0 HA THR A 18 11.727 2.467 -7.066 1.00 24.14 H new ATOM 0 HB THR A 18 13.513 3.441 -8.251 1.00 3.04 H new ATOM 0 HG1 THR A 18 15.139 3.787 -6.597 1.00 73.02 H new ATOM 0 HG21 THR A 18 14.395 5.704 -7.818 1.00 1.21 H new ATOM 0 HG22 THR A 18 12.680 5.746 -8.290 1.00 1.21 H new ATOM 0 HG23 THR A 18 13.138 5.952 -6.583 1.00 1.21 H new ATOM 283 N LEU A 19 11.162 4.971 -5.057 1.00 53.34 N ATOM 284 CA LEU A 19 10.949 5.353 -3.665 1.00 65.14 C ATOM 285 C LEU A 19 9.611 4.829 -3.155 1.00 53.33 C ATOM 286 O LEU A 19 8.662 4.670 -3.923 1.00 51.11 O ATOM 287 CB LEU A 19 11.004 6.875 -3.519 1.00 60.43 C ATOM 288 CG LEU A 19 12.285 7.445 -2.910 1.00 64.14 C ATOM 289 CD1 LEU A 19 12.380 7.088 -1.435 1.00 65.52 C ATOM 290 CD2 LEU A 19 13.506 6.937 -3.664 1.00 20.12 C ATOM 0 H LEU A 19 10.863 5.671 -5.736 1.00 53.34 H new ATOM 0 HA LEU A 19 11.744 4.908 -3.066 1.00 65.14 H new ATOM 0 HB2 LEU A 19 10.865 7.320 -4.504 1.00 60.43 H new ATOM 0 HB3 LEU A 19 10.161 7.192 -2.905 1.00 60.43 H new ATOM 0 HG LEU A 19 12.254 8.531 -2.998 1.00 64.14 H new ATOM 0 HD11 LEU A 19 13.298 7.502 -1.019 1.00 65.52 H new ATOM 0 HD12 LEU A 19 11.522 7.502 -0.905 1.00 65.52 H new ATOM 0 HD13 LEU A 19 12.388 6.004 -1.323 1.00 65.52 H new ATOM 0 HD21 LEU A 19 14.409 7.353 -3.217 1.00 20.12 H new ATOM 0 HD22 LEU A 19 13.541 5.849 -3.608 1.00 20.12 H new ATOM 0 HD23 LEU A 19 13.443 7.245 -4.708 1.00 20.12 H new ATOM 302 N SER A 20 9.541 4.565 -1.854 1.00 43.44 N ATOM 303 CA SER A 20 8.319 4.058 -1.242 1.00 1.35 C ATOM 304 C SER A 20 7.973 4.850 0.016 1.00 51.23 C ATOM 305 O SER A 20 8.789 5.621 0.520 1.00 33.14 O ATOM 306 CB SER A 20 8.473 2.576 -0.898 1.00 21.52 C ATOM 307 OG SER A 20 9.825 2.165 -1.004 1.00 42.11 O ATOM 0 H SER A 20 10.316 4.694 -1.204 1.00 43.44 H new ATOM 0 HA SER A 20 7.507 4.175 -1.960 1.00 1.35 H new ATOM 0 HB2 SER A 20 8.113 2.395 0.115 1.00 21.52 H new ATOM 0 HB3 SER A 20 7.854 1.978 -1.567 1.00 21.52 H new ATOM 0 HG SER A 20 10.389 2.752 -0.458 1.00 42.11 H new ATOM 313 N GLU A 21 6.757 4.654 0.515 1.00 32.53 N ATOM 314 CA GLU A 21 6.302 5.350 1.713 1.00 31.10 C ATOM 315 C GLU A 21 7.205 5.034 2.902 1.00 41.52 C ATOM 316 O GLU A 21 7.263 5.793 3.870 1.00 41.45 O ATOM 317 CB GLU A 21 4.858 4.961 2.038 1.00 1.43 C ATOM 318 CG GLU A 21 3.919 5.059 0.848 1.00 33.40 C ATOM 319 CD GLU A 21 2.475 4.780 1.220 1.00 42.22 C ATOM 320 OE1 GLU A 21 2.219 3.743 1.867 1.00 4.22 O ATOM 321 OE2 GLU A 21 1.602 5.598 0.864 1.00 52.44 O ATOM 0 H GLU A 21 6.069 4.019 0.109 1.00 32.53 H new ATOM 0 HA GLU A 21 6.347 6.422 1.519 1.00 31.10 H new ATOM 0 HB2 GLU A 21 4.843 3.940 2.419 1.00 1.43 H new ATOM 0 HB3 GLU A 21 4.488 5.605 2.836 1.00 1.43 H new ATOM 0 HG2 GLU A 21 3.992 6.056 0.413 1.00 33.40 H new ATOM 0 HG3 GLU A 21 4.236 4.353 0.081 1.00 33.40 H new ATOM 328 N ASP A 22 7.907 3.910 2.821 1.00 25.25 N ATOM 329 CA ASP A 22 8.809 3.493 3.890 1.00 54.13 C ATOM 330 C ASP A 22 10.018 4.420 3.973 1.00 35.32 C ATOM 331 O ASP A 22 10.786 4.369 4.934 1.00 72.02 O ATOM 332 CB ASP A 22 9.269 2.052 3.664 1.00 3.21 C ATOM 333 CG ASP A 22 9.267 1.237 4.942 1.00 33.22 C ATOM 334 OD1 ASP A 22 8.217 0.642 5.264 1.00 61.24 O ATOM 335 OD2 ASP A 22 10.314 1.194 5.622 1.00 51.34 O ATOM 0 H ASP A 22 7.870 3.271 2.027 1.00 25.25 H new ATOM 0 HA ASP A 22 8.266 3.549 4.834 1.00 54.13 H new ATOM 0 HB2 ASP A 22 8.617 1.576 2.932 1.00 3.21 H new ATOM 0 HB3 ASP A 22 10.273 2.056 3.241 1.00 3.21 H new ATOM 340 N ASP A 23 10.180 5.264 2.961 1.00 42.14 N ATOM 341 CA ASP A 23 11.296 6.202 2.919 1.00 12.42 C ATOM 342 C ASP A 23 10.850 7.596 3.351 1.00 22.24 C ATOM 343 O ASP A 23 9.929 7.744 4.155 1.00 54.02 O ATOM 344 CB ASP A 23 11.892 6.258 1.512 1.00 75.44 C ATOM 345 CG ASP A 23 12.053 4.881 0.897 1.00 53.33 C ATOM 346 OD1 ASP A 23 11.027 4.277 0.519 1.00 25.10 O ATOM 347 OD2 ASP A 23 13.204 4.408 0.794 1.00 41.00 O ATOM 0 H ASP A 23 9.553 5.318 2.158 1.00 42.14 H new ATOM 0 HA ASP A 23 12.059 5.851 3.614 1.00 12.42 H new ATOM 0 HB2 ASP A 23 11.251 6.866 0.873 1.00 75.44 H new ATOM 0 HB3 ASP A 23 12.863 6.751 1.551 1.00 75.44 H new ATOM 352 N THR A 24 11.511 8.616 2.814 1.00 42.41 N ATOM 353 CA THR A 24 11.185 9.998 3.145 1.00 23.33 C ATOM 354 C THR A 24 11.080 10.854 1.889 1.00 42.51 C ATOM 355 O THR A 24 11.437 10.417 0.795 1.00 22.30 O ATOM 356 CB THR A 24 12.238 10.613 4.086 1.00 3.21 C ATOM 357 OG1 THR A 24 13.443 9.841 4.045 1.00 64.04 O ATOM 358 CG2 THR A 24 11.718 10.674 5.514 1.00 1.43 C ATOM 0 H THR A 24 12.276 8.511 2.147 1.00 42.41 H new ATOM 0 HA THR A 24 10.220 9.983 3.652 1.00 23.33 H new ATOM 0 HB THR A 24 12.446 11.628 3.748 1.00 3.21 H new ATOM 0 HG1 THR A 24 14.108 10.240 4.645 1.00 64.04 H new ATOM 0 HG21 THR A 24 12.479 11.112 6.160 1.00 1.43 H new ATOM 0 HG22 THR A 24 10.817 11.287 5.547 1.00 1.43 H new ATOM 0 HG23 THR A 24 11.485 9.667 5.860 1.00 1.43 H new ATOM 366 N VAL A 25 10.589 12.079 2.052 1.00 34.33 N ATOM 367 CA VAL A 25 10.438 12.998 0.931 1.00 44.22 C ATOM 368 C VAL A 25 11.795 13.398 0.362 1.00 23.03 C ATOM 369 O VAL A 25 11.985 13.435 -0.854 1.00 54.13 O ATOM 370 CB VAL A 25 9.673 14.269 1.346 1.00 62.04 C ATOM 371 CG1 VAL A 25 9.283 15.081 0.120 1.00 1.42 C ATOM 372 CG2 VAL A 25 8.446 13.907 2.168 1.00 31.22 C ATOM 0 H VAL A 25 10.289 12.457 2.950 1.00 34.33 H new ATOM 0 HA VAL A 25 9.867 12.473 0.166 1.00 44.22 H new ATOM 0 HB VAL A 25 10.329 14.882 1.965 1.00 62.04 H new ATOM 0 HG11 VAL A 25 8.743 15.975 0.432 1.00 1.42 H new ATOM 0 HG12 VAL A 25 10.181 15.371 -0.425 1.00 1.42 H new ATOM 0 HG13 VAL A 25 8.644 14.479 -0.527 1.00 1.42 H new ATOM 0 HG21 VAL A 25 7.917 14.817 2.453 1.00 31.22 H new ATOM 0 HG22 VAL A 25 7.785 13.274 1.576 1.00 31.22 H new ATOM 0 HG23 VAL A 25 8.755 13.371 3.065 1.00 31.22 H new ATOM 382 N LEU A 26 12.738 13.696 1.250 1.00 54.02 N ATOM 383 CA LEU A 26 14.079 14.093 0.837 1.00 4.00 C ATOM 384 C LEU A 26 14.749 12.988 0.027 1.00 62.31 C ATOM 385 O LEU A 26 15.591 13.256 -0.830 1.00 61.13 O ATOM 386 CB LEU A 26 14.932 14.432 2.061 1.00 34.33 C ATOM 387 CG LEU A 26 15.841 13.315 2.576 1.00 41.33 C ATOM 388 CD1 LEU A 26 17.187 13.354 1.868 1.00 13.43 C ATOM 389 CD2 LEU A 26 16.025 13.429 4.082 1.00 32.41 C ATOM 0 H LEU A 26 12.598 13.670 2.260 1.00 54.02 H new ATOM 0 HA LEU A 26 13.991 14.978 0.207 1.00 4.00 H new ATOM 0 HB2 LEU A 26 15.552 15.295 1.819 1.00 34.33 H new ATOM 0 HB3 LEU A 26 14.267 14.734 2.870 1.00 34.33 H new ATOM 0 HG LEU A 26 15.367 12.358 2.360 1.00 41.33 H new ATOM 0 HD11 LEU A 26 17.821 12.552 2.247 1.00 13.43 H new ATOM 0 HD12 LEU A 26 17.038 13.223 0.796 1.00 13.43 H new ATOM 0 HD13 LEU A 26 17.668 14.315 2.053 1.00 13.43 H new ATOM 0 HD21 LEU A 26 16.675 12.626 4.431 1.00 32.41 H new ATOM 0 HD22 LEU A 26 16.477 14.392 4.321 1.00 32.41 H new ATOM 0 HD23 LEU A 26 15.055 13.351 4.574 1.00 32.41 H new ATOM 401 N ASP A 27 14.368 11.745 0.303 1.00 42.41 N ATOM 402 CA ASP A 27 14.929 10.599 -0.402 1.00 44.05 C ATOM 403 C ASP A 27 14.450 10.564 -1.850 1.00 42.13 C ATOM 404 O ASP A 27 15.193 10.174 -2.752 1.00 60.11 O ATOM 405 CB ASP A 27 14.546 9.299 0.306 1.00 14.24 C ATOM 406 CG ASP A 27 15.499 8.164 -0.010 1.00 61.10 C ATOM 407 OD1 ASP A 27 15.884 8.023 -1.190 1.00 11.10 O ATOM 408 OD2 ASP A 27 15.861 7.417 0.922 1.00 24.44 O ATOM 0 H ASP A 27 13.673 11.506 1.010 1.00 42.41 H new ATOM 0 HA ASP A 27 16.014 10.698 -0.399 1.00 44.05 H new ATOM 0 HB2 ASP A 27 14.530 9.467 1.383 1.00 14.24 H new ATOM 0 HB3 ASP A 27 13.536 9.013 0.013 1.00 14.24 H new ATOM 413 N LEU A 28 13.205 10.973 -2.066 1.00 12.01 N ATOM 414 CA LEU A 28 12.625 10.988 -3.405 1.00 22.25 C ATOM 415 C LEU A 28 13.070 12.226 -4.177 1.00 34.13 C ATOM 416 O LEU A 28 13.496 12.133 -5.328 1.00 1.31 O ATOM 417 CB LEU A 28 11.098 10.945 -3.321 1.00 44.51 C ATOM 418 CG LEU A 28 10.373 10.425 -4.562 1.00 74.31 C ATOM 419 CD1 LEU A 28 9.257 9.469 -4.167 1.00 3.44 C ATOM 420 CD2 LEU A 28 9.821 11.582 -5.382 1.00 35.21 C ATOM 0 H LEU A 28 12.577 11.299 -1.331 1.00 12.01 H new ATOM 0 HA LEU A 28 12.978 10.105 -3.938 1.00 22.25 H new ATOM 0 HB2 LEU A 28 10.818 10.320 -2.473 1.00 44.51 H new ATOM 0 HB3 LEU A 28 10.737 11.951 -3.109 1.00 44.51 H new ATOM 0 HG LEU A 28 11.090 9.880 -5.176 1.00 74.31 H new ATOM 0 HD11 LEU A 28 8.752 9.109 -5.063 1.00 3.44 H new ATOM 0 HD12 LEU A 28 9.678 8.623 -3.623 1.00 3.44 H new ATOM 0 HD13 LEU A 28 8.541 9.989 -3.531 1.00 3.44 H new ATOM 0 HD21 LEU A 28 9.308 11.193 -6.262 1.00 35.21 H new ATOM 0 HD22 LEU A 28 9.119 12.155 -4.776 1.00 35.21 H new ATOM 0 HD23 LEU A 28 10.640 12.229 -5.696 1.00 35.21 H new ATOM 432 N LYS A 29 12.969 13.385 -3.535 1.00 32.12 N ATOM 433 CA LYS A 29 13.363 14.642 -4.159 1.00 2.45 C ATOM 434 C LYS A 29 14.845 14.630 -4.519 1.00 23.40 C ATOM 435 O LYS A 29 15.213 14.830 -5.676 1.00 51.02 O ATOM 436 CB LYS A 29 13.065 15.816 -3.222 1.00 63.50 C ATOM 437 CG LYS A 29 11.740 16.501 -3.508 1.00 21.53 C ATOM 438 CD LYS A 29 10.618 15.917 -2.666 1.00 12.03 C ATOM 439 CE LYS A 29 9.858 14.838 -3.421 1.00 73.40 C ATOM 440 NZ LYS A 29 8.467 15.261 -3.744 1.00 0.32 N ATOM 0 H LYS A 29 12.617 13.480 -2.582 1.00 32.12 H new ATOM 0 HA LYS A 29 12.785 14.760 -5.076 1.00 2.45 H new ATOM 0 HB2 LYS A 29 13.064 15.457 -2.193 1.00 63.50 H new ATOM 0 HB3 LYS A 29 13.868 16.548 -3.304 1.00 63.50 H new ATOM 0 HG2 LYS A 29 11.830 17.568 -3.306 1.00 21.53 H new ATOM 0 HG3 LYS A 29 11.496 16.396 -4.565 1.00 21.53 H new ATOM 0 HD2 LYS A 29 11.031 15.498 -1.748 1.00 12.03 H new ATOM 0 HD3 LYS A 29 9.930 16.711 -2.373 1.00 12.03 H new ATOM 0 HE2 LYS A 29 10.388 14.598 -4.343 1.00 73.40 H new ATOM 0 HE3 LYS A 29 9.831 13.927 -2.823 1.00 73.40 H new ATOM 0 HZ1 LYS A 29 8.117 14.713 -4.556 1.00 0.32 H new ATOM 0 HZ2 LYS A 29 7.853 15.092 -2.922 1.00 0.32 H new ATOM 0 HZ3 LYS A 29 8.458 16.274 -3.980 1.00 0.32 H new ATOM 454 N GLN A 30 15.690 14.392 -3.521 1.00 63.51 N ATOM 455 CA GLN A 30 17.132 14.352 -3.735 1.00 1.03 C ATOM 456 C GLN A 30 17.500 13.295 -4.771 1.00 41.31 C ATOM 457 O GLN A 30 18.558 13.367 -5.397 1.00 20.31 O ATOM 458 CB GLN A 30 17.856 14.066 -2.418 1.00 44.01 C ATOM 459 CG GLN A 30 18.018 12.584 -2.122 1.00 71.31 C ATOM 460 CD GLN A 30 19.338 12.030 -2.620 1.00 23.30 C ATOM 461 OE1 GLN A 30 20.108 12.728 -3.281 1.00 71.40 O ATOM 462 NE2 GLN A 30 19.608 10.768 -2.304 1.00 41.43 N ATOM 0 H GLN A 30 15.401 14.224 -2.557 1.00 63.51 H new ATOM 0 HA GLN A 30 17.445 15.326 -4.110 1.00 1.03 H new ATOM 0 HB2 GLN A 30 18.841 14.532 -2.446 1.00 44.01 H new ATOM 0 HB3 GLN A 30 17.305 14.533 -1.601 1.00 44.01 H new ATOM 0 HG2 GLN A 30 17.943 12.422 -1.047 1.00 71.31 H new ATOM 0 HG3 GLN A 30 17.199 12.033 -2.585 1.00 71.31 H new ATOM 0 HE21 GLN A 30 18.941 10.226 -1.754 1.00 41.43 H new ATOM 0 HE22 GLN A 30 20.482 10.341 -2.611 1.00 41.43 H new ATOM 471 N PHE A 31 16.620 12.315 -4.947 1.00 44.04 N ATOM 472 CA PHE A 31 16.853 11.242 -5.907 1.00 45.22 C ATOM 473 C PHE A 31 16.593 11.721 -7.332 1.00 55.23 C ATOM 474 O PHE A 31 17.457 11.616 -8.203 1.00 44.21 O ATOM 475 CB PHE A 31 15.960 10.042 -5.589 1.00 71.51 C ATOM 476 CG PHE A 31 15.970 8.987 -6.658 1.00 62.33 C ATOM 477 CD1 PHE A 31 16.905 7.965 -6.633 1.00 23.55 C ATOM 478 CD2 PHE A 31 15.044 9.017 -7.689 1.00 25.13 C ATOM 479 CE1 PHE A 31 16.917 6.993 -7.616 1.00 3.24 C ATOM 480 CE2 PHE A 31 15.051 8.048 -8.674 1.00 63.05 C ATOM 481 CZ PHE A 31 15.988 7.034 -8.637 1.00 44.21 C ATOM 0 H PHE A 31 15.739 12.242 -4.438 1.00 44.04 H new ATOM 0 HA PHE A 31 17.897 10.939 -5.829 1.00 45.22 H new ATOM 0 HB2 PHE A 31 16.284 9.597 -4.648 1.00 71.51 H new ATOM 0 HB3 PHE A 31 14.937 10.389 -5.442 1.00 71.51 H new ATOM 0 HD1 PHE A 31 17.633 7.927 -5.836 1.00 23.55 H new ATOM 0 HD2 PHE A 31 14.308 9.807 -7.723 1.00 25.13 H new ATOM 0 HE1 PHE A 31 17.652 6.202 -7.585 1.00 3.24 H new ATOM 0 HE2 PHE A 31 14.324 8.083 -9.472 1.00 63.05 H new ATOM 0 HZ PHE A 31 15.994 6.275 -9.405 1.00 44.21 H new ATOM 491 N LEU A 32 15.395 12.247 -7.563 1.00 74.11 N ATOM 492 CA LEU A 32 15.018 12.742 -8.883 1.00 12.35 C ATOM 493 C LEU A 32 15.827 13.982 -9.250 1.00 54.11 C ATOM 494 O LEU A 32 16.304 14.114 -10.377 1.00 54.14 O ATOM 495 CB LEU A 32 13.523 13.065 -8.920 1.00 70.10 C ATOM 496 CG LEU A 32 12.997 13.944 -7.784 1.00 62.44 C ATOM 497 CD1 LEU A 32 12.984 15.406 -8.203 1.00 21.40 C ATOM 498 CD2 LEU A 32 11.605 13.495 -7.364 1.00 24.15 C ATOM 0 H LEU A 32 14.668 12.342 -6.854 1.00 74.11 H new ATOM 0 HA LEU A 32 15.233 11.961 -9.612 1.00 12.35 H new ATOM 0 HB2 LEU A 32 13.302 13.558 -9.866 1.00 70.10 H new ATOM 0 HB3 LEU A 32 12.969 12.126 -8.913 1.00 70.10 H new ATOM 0 HG LEU A 32 13.665 13.838 -6.929 1.00 62.44 H new ATOM 0 HD11 LEU A 32 12.607 16.016 -7.382 1.00 21.40 H new ATOM 0 HD12 LEU A 32 13.997 15.721 -8.454 1.00 21.40 H new ATOM 0 HD13 LEU A 32 12.339 15.529 -9.073 1.00 21.40 H new ATOM 0 HD21 LEU A 32 11.246 14.131 -6.555 1.00 24.15 H new ATOM 0 HD22 LEU A 32 10.926 13.571 -8.214 1.00 24.15 H new ATOM 0 HD23 LEU A 32 11.644 12.461 -7.022 1.00 24.15 H new ATOM 510 N LYS A 33 15.979 14.889 -8.291 1.00 21.54 N ATOM 511 CA LYS A 33 16.733 16.117 -8.511 1.00 23.14 C ATOM 512 C LYS A 33 18.140 15.809 -9.013 1.00 23.11 C ATOM 513 O LYS A 33 18.753 16.618 -9.711 1.00 31.30 O ATOM 514 CB LYS A 33 16.809 16.932 -7.218 1.00 31.25 C ATOM 515 CG LYS A 33 18.213 17.400 -6.875 1.00 34.33 C ATOM 516 CD LYS A 33 18.998 16.321 -6.148 1.00 20.11 C ATOM 517 CE LYS A 33 20.483 16.402 -6.467 1.00 70.00 C ATOM 518 NZ LYS A 33 21.236 15.251 -5.897 1.00 64.11 N ATOM 0 H LYS A 33 15.589 14.796 -7.353 1.00 21.54 H new ATOM 0 HA LYS A 33 16.214 16.701 -9.271 1.00 23.14 H new ATOM 0 HB2 LYS A 33 16.157 17.801 -7.307 1.00 31.25 H new ATOM 0 HB3 LYS A 33 16.425 16.329 -6.395 1.00 31.25 H new ATOM 0 HG2 LYS A 33 18.738 17.680 -7.789 1.00 34.33 H new ATOM 0 HG3 LYS A 33 18.158 18.293 -6.253 1.00 34.33 H new ATOM 0 HD2 LYS A 33 18.850 16.423 -5.073 1.00 20.11 H new ATOM 0 HD3 LYS A 33 18.617 15.340 -6.430 1.00 20.11 H new ATOM 0 HE2 LYS A 33 20.621 16.427 -7.548 1.00 70.00 H new ATOM 0 HE3 LYS A 33 20.889 17.333 -6.072 1.00 70.00 H new ATOM 0 HZ1 LYS A 33 21.969 15.603 -5.248 1.00 64.11 H new ATOM 0 HZ2 LYS A 33 20.582 14.631 -5.378 1.00 64.11 H new ATOM 0 HZ3 LYS A 33 21.684 14.714 -6.667 1.00 64.11 H new ATOM 532 N THR A 34 18.648 14.633 -8.655 1.00 13.54 N ATOM 533 CA THR A 34 19.982 14.219 -9.069 1.00 70.31 C ATOM 534 C THR A 34 19.977 13.703 -10.504 1.00 13.33 C ATOM 535 O THR A 34 21.004 13.716 -11.183 1.00 24.24 O ATOM 536 CB THR A 34 20.542 13.122 -8.144 1.00 2.13 C ATOM 537 OG1 THR A 34 21.918 13.386 -7.849 1.00 3.15 O ATOM 538 CG2 THR A 34 20.411 11.751 -8.789 1.00 34.45 C ATOM 0 H THR A 34 18.155 13.951 -8.079 1.00 13.54 H new ATOM 0 HA THR A 34 20.621 15.100 -9.004 1.00 70.31 H new ATOM 0 HB THR A 34 19.965 13.128 -7.220 1.00 2.13 H new ATOM 0 HG1 THR A 34 22.266 12.685 -7.259 1.00 3.15 H new ATOM 0 HG21 THR A 34 20.813 10.993 -8.117 1.00 34.45 H new ATOM 0 HG22 THR A 34 19.360 11.541 -8.986 1.00 34.45 H new ATOM 0 HG23 THR A 34 20.966 11.736 -9.727 1.00 34.45 H new ATOM 546 N LEU A 35 18.814 13.251 -10.960 1.00 41.04 N ATOM 547 CA LEU A 35 18.675 12.731 -12.316 1.00 52.45 C ATOM 548 C LEU A 35 18.628 13.868 -13.333 1.00 33.21 C ATOM 549 O LEU A 35 19.468 13.949 -14.229 1.00 41.35 O ATOM 550 CB LEU A 35 17.410 11.878 -12.429 1.00 42.24 C ATOM 551 CG LEU A 35 17.112 10.960 -11.244 1.00 23.41 C ATOM 552 CD1 LEU A 35 15.799 10.222 -11.457 1.00 4.23 C ATOM 553 CD2 LEU A 35 18.252 9.973 -11.034 1.00 10.43 C ATOM 0 H LEU A 35 17.954 13.234 -10.411 1.00 41.04 H new ATOM 0 HA LEU A 35 19.545 12.111 -12.532 1.00 52.45 H new ATOM 0 HB2 LEU A 35 16.558 12.544 -12.570 1.00 42.24 H new ATOM 0 HB3 LEU A 35 17.488 11.265 -13.327 1.00 42.24 H new ATOM 0 HG LEU A 35 17.019 11.574 -10.348 1.00 23.41 H new ATOM 0 HD11 LEU A 35 15.604 9.573 -10.603 1.00 4.23 H new ATOM 0 HD12 LEU A 35 14.988 10.944 -11.558 1.00 4.23 H new ATOM 0 HD13 LEU A 35 15.863 9.620 -12.363 1.00 4.23 H new ATOM 0 HD21 LEU A 35 18.023 9.327 -10.186 1.00 10.43 H new ATOM 0 HD22 LEU A 35 18.376 9.365 -11.930 1.00 10.43 H new ATOM 0 HD23 LEU A 35 19.174 10.519 -10.835 1.00 10.43 H new ATOM 565 N THR A 36 17.640 14.746 -13.186 1.00 62.21 N ATOM 566 CA THR A 36 17.484 15.878 -14.090 1.00 12.30 C ATOM 567 C THR A 36 17.197 17.162 -13.319 1.00 33.41 C ATOM 568 O THR A 36 17.527 18.257 -13.772 1.00 74.42 O ATOM 569 CB THR A 36 16.349 15.636 -15.103 1.00 15.35 C ATOM 570 OG1 THR A 36 16.098 16.830 -15.852 1.00 42.25 O ATOM 571 CG2 THR A 36 15.075 15.200 -14.394 1.00 1.33 C ATOM 0 H THR A 36 16.936 14.694 -12.449 1.00 62.21 H new ATOM 0 HA THR A 36 18.425 15.984 -14.629 1.00 12.30 H new ATOM 0 HB THR A 36 16.660 14.841 -15.781 1.00 15.35 H new ATOM 0 HG1 THR A 36 15.243 16.746 -16.324 1.00 42.25 H new ATOM 0 HG21 THR A 36 14.288 15.035 -15.129 1.00 1.33 H new ATOM 0 HG22 THR A 36 15.261 14.275 -13.848 1.00 1.33 H new ATOM 0 HG23 THR A 36 14.763 15.977 -13.696 1.00 1.33 H new ATOM 579 N GLY A 37 16.580 17.019 -12.150 1.00 21.24 N ATOM 580 CA GLY A 37 16.260 18.175 -11.334 1.00 14.52 C ATOM 581 C GLY A 37 17.497 18.907 -10.853 1.00 62.22 C ATOM 582 O GLY A 37 18.619 18.538 -11.200 1.00 63.12 O ATOM 0 H GLY A 37 16.296 16.123 -11.754 1.00 21.24 H new ATOM 0 HA2 GLY A 37 15.637 18.860 -11.909 1.00 14.52 H new ATOM 0 HA3 GLY A 37 15.673 17.856 -10.473 1.00 14.52 H new ATOM 586 N VAL A 38 17.294 19.949 -10.053 1.00 72.40 N ATOM 587 CA VAL A 38 18.402 20.735 -9.524 1.00 63.54 C ATOM 588 C VAL A 38 18.524 20.567 -8.014 1.00 34.10 C ATOM 589 O VAL A 38 17.522 20.552 -7.297 1.00 72.34 O ATOM 590 CB VAL A 38 18.236 22.230 -9.852 1.00 44.32 C ATOM 591 CG1 VAL A 38 16.790 22.661 -9.663 1.00 50.33 C ATOM 592 CG2 VAL A 38 19.168 23.070 -8.992 1.00 44.30 C ATOM 0 H VAL A 38 16.372 20.268 -9.757 1.00 72.40 H new ATOM 0 HA VAL A 38 19.309 20.365 -10.002 1.00 63.54 H new ATOM 0 HB VAL A 38 18.503 22.387 -10.897 1.00 44.32 H new ATOM 0 HG11 VAL A 38 16.692 23.721 -9.899 1.00 50.33 H new ATOM 0 HG12 VAL A 38 16.148 22.081 -10.325 1.00 50.33 H new ATOM 0 HG13 VAL A 38 16.492 22.491 -8.628 1.00 50.33 H new ATOM 0 HG21 VAL A 38 19.038 24.124 -9.237 1.00 44.30 H new ATOM 0 HG22 VAL A 38 18.934 22.910 -7.939 1.00 44.30 H new ATOM 0 HG23 VAL A 38 20.201 22.778 -9.183 1.00 44.30 H new ATOM 602 N LEU A 39 19.757 20.442 -7.535 1.00 75.35 N ATOM 603 CA LEU A 39 20.010 20.276 -6.108 1.00 62.45 C ATOM 604 C LEU A 39 19.345 21.388 -5.304 1.00 74.41 C ATOM 605 O LEU A 39 19.183 22.515 -5.772 1.00 73.34 O ATOM 606 CB LEU A 39 21.515 20.264 -5.836 1.00 4.31 C ATOM 607 CG LEU A 39 22.364 21.180 -6.719 1.00 22.22 C ATOM 608 CD1 LEU A 39 22.615 20.534 -8.073 1.00 34.34 C ATOM 609 CD2 LEU A 39 21.689 22.533 -6.888 1.00 42.03 C ATOM 0 H LEU A 39 20.597 20.452 -8.114 1.00 75.35 H new ATOM 0 HA LEU A 39 19.583 19.323 -5.796 1.00 62.45 H new ATOM 0 HB2 LEU A 39 21.678 20.543 -4.795 1.00 4.31 H new ATOM 0 HB3 LEU A 39 21.877 19.243 -5.953 1.00 4.31 H new ATOM 0 HG LEU A 39 23.326 21.335 -6.230 1.00 22.22 H new ATOM 0 HD11 LEU A 39 23.221 21.200 -8.687 1.00 34.34 H new ATOM 0 HD12 LEU A 39 23.142 19.590 -7.934 1.00 34.34 H new ATOM 0 HD13 LEU A 39 21.663 20.348 -8.570 1.00 34.34 H new ATOM 0 HD21 LEU A 39 22.307 23.172 -7.519 1.00 42.03 H new ATOM 0 HD22 LEU A 39 20.713 22.397 -7.354 1.00 42.03 H new ATOM 0 HD23 LEU A 39 21.562 23.001 -5.912 1.00 42.03 H new ATOM 621 N PRO A 40 18.951 21.066 -4.063 1.00 33.01 N ATOM 622 CA PRO A 40 18.299 22.025 -3.166 1.00 30.22 C ATOM 623 C PRO A 40 19.255 23.112 -2.686 1.00 54.03 C ATOM 624 O PRO A 40 18.826 24.189 -2.274 1.00 0.14 O ATOM 625 CB PRO A 40 17.843 21.157 -1.990 1.00 51.11 C ATOM 626 CG PRO A 40 18.772 19.992 -1.996 1.00 54.33 C ATOM 627 CD PRO A 40 19.112 19.742 -3.439 1.00 72.35 C ATOM 0 HA PRO A 40 17.487 22.558 -3.660 1.00 30.22 H new ATOM 0 HB2 PRO A 40 17.900 21.704 -1.049 1.00 51.11 H new ATOM 0 HB3 PRO A 40 16.808 20.838 -2.111 1.00 51.11 H new ATOM 0 HG2 PRO A 40 19.669 20.205 -1.415 1.00 54.33 H new ATOM 0 HG3 PRO A 40 18.303 19.116 -1.548 1.00 54.33 H new ATOM 0 HD2 PRO A 40 20.129 19.365 -3.553 1.00 72.35 H new ATOM 0 HD3 PRO A 40 18.447 19.004 -3.886 1.00 72.35 H new ATOM 635 N GLU A 41 20.551 22.822 -2.744 1.00 53.24 N ATOM 636 CA GLU A 41 21.566 23.777 -2.315 1.00 62.52 C ATOM 637 C GLU A 41 21.396 25.112 -3.033 1.00 55.21 C ATOM 638 O GLU A 41 21.582 26.175 -2.441 1.00 51.40 O ATOM 639 CB GLU A 41 22.966 23.218 -2.579 1.00 3.51 C ATOM 640 CG GLU A 41 24.080 24.218 -2.314 1.00 33.34 C ATOM 641 CD GLU A 41 25.399 23.547 -1.985 1.00 24.02 C ATOM 642 OE1 GLU A 41 25.776 22.596 -2.702 1.00 13.21 O ATOM 643 OE2 GLU A 41 26.055 23.972 -1.011 1.00 43.21 O ATOM 0 H GLU A 41 20.922 21.935 -3.083 1.00 53.24 H new ATOM 0 HA GLU A 41 21.444 23.943 -1.245 1.00 62.52 H new ATOM 0 HB2 GLU A 41 23.121 22.339 -1.953 1.00 3.51 H new ATOM 0 HB3 GLU A 41 23.026 22.886 -3.615 1.00 3.51 H new ATOM 0 HG2 GLU A 41 24.209 24.854 -3.190 1.00 33.34 H new ATOM 0 HG3 GLU A 41 23.791 24.868 -1.488 1.00 33.34 H new ATOM 650 N ARG A 42 21.041 25.049 -4.312 1.00 73.42 N ATOM 651 CA ARG A 42 20.847 26.252 -5.112 1.00 54.10 C ATOM 652 C ARG A 42 19.361 26.526 -5.330 1.00 45.14 C ATOM 653 O ARG A 42 18.920 27.674 -5.286 1.00 31.14 O ATOM 654 CB ARG A 42 21.554 26.113 -6.461 1.00 43.21 C ATOM 655 CG ARG A 42 22.997 26.592 -6.445 1.00 14.25 C ATOM 656 CD ARG A 42 23.961 25.468 -6.788 1.00 21.22 C ATOM 657 NE ARG A 42 25.304 25.966 -7.073 1.00 53.45 N ATOM 658 CZ ARG A 42 26.361 25.179 -7.237 1.00 31.22 C ATOM 659 NH1 ARG A 42 26.232 23.863 -7.144 1.00 32.55 N ATOM 660 NH2 ARG A 42 27.550 25.708 -7.494 1.00 63.45 N ATOM 0 H ARG A 42 20.882 24.177 -4.817 1.00 73.42 H new ATOM 0 HA ARG A 42 21.278 27.093 -4.569 1.00 54.10 H new ATOM 0 HB2 ARG A 42 21.531 25.067 -6.768 1.00 43.21 H new ATOM 0 HB3 ARG A 42 21.001 26.678 -7.211 1.00 43.21 H new ATOM 0 HG2 ARG A 42 23.119 27.407 -7.158 1.00 14.25 H new ATOM 0 HG3 ARG A 42 23.238 26.991 -5.460 1.00 14.25 H new ATOM 0 HD2 ARG A 42 24.005 24.762 -5.958 1.00 21.22 H new ATOM 0 HD3 ARG A 42 23.586 24.921 -7.653 1.00 21.22 H new ATOM 0 HE ARG A 42 25.438 26.974 -7.150 1.00 53.45 H new ATOM 0 HH11 ARG A 42 25.319 23.453 -6.946 1.00 32.55 H new ATOM 0 HH12 ARG A 42 27.045 23.261 -7.270 1.00 32.55 H new ATOM 0 HH21 ARG A 42 27.653 26.720 -7.566 1.00 63.45 H new ATOM 0 HH22 ARG A 42 28.361 25.103 -7.620 1.00 63.45 H new ATOM 674 N GLN A 43 18.598 25.464 -5.567 1.00 14.51 N ATOM 675 CA GLN A 43 17.163 25.592 -5.793 1.00 72.54 C ATOM 676 C GLN A 43 16.383 25.326 -4.510 1.00 24.42 C ATOM 677 O GLN A 43 16.886 24.684 -3.587 1.00 21.10 O ATOM 678 CB GLN A 43 16.710 24.624 -6.889 1.00 4.15 C ATOM 679 CG GLN A 43 16.336 23.246 -6.367 1.00 11.45 C ATOM 680 CD GLN A 43 14.975 23.225 -5.699 1.00 52.23 C ATOM 681 OE1 GLN A 43 14.810 22.663 -4.616 1.00 62.24 O ATOM 682 NE2 GLN A 43 13.990 23.840 -6.344 1.00 33.23 N ATOM 0 H GLN A 43 18.949 24.507 -5.608 1.00 14.51 H new ATOM 0 HA GLN A 43 16.961 26.614 -6.113 1.00 72.54 H new ATOM 0 HB2 GLN A 43 15.852 25.052 -7.408 1.00 4.15 H new ATOM 0 HB3 GLN A 43 17.508 24.521 -7.624 1.00 4.15 H new ATOM 0 HG2 GLN A 43 16.342 22.535 -7.193 1.00 11.45 H new ATOM 0 HG3 GLN A 43 17.091 22.914 -5.655 1.00 11.45 H new ATOM 0 HE21 GLN A 43 14.172 24.293 -7.240 1.00 33.23 H new ATOM 0 HE22 GLN A 43 13.052 23.859 -5.944 1.00 33.23 H new ATOM 691 N LYS A 44 15.153 25.823 -4.457 1.00 54.10 N ATOM 692 CA LYS A 44 14.302 25.639 -3.287 1.00 51.22 C ATOM 693 C LYS A 44 12.939 25.083 -3.687 1.00 63.34 C ATOM 694 O LYS A 44 12.364 25.488 -4.698 1.00 40.52 O ATOM 695 CB LYS A 44 14.125 26.966 -2.546 1.00 51.40 C ATOM 696 CG LYS A 44 13.478 28.052 -3.389 1.00 5.22 C ATOM 697 CD LYS A 44 11.962 27.996 -3.304 1.00 24.34 C ATOM 698 CE LYS A 44 11.367 29.372 -3.052 1.00 54.44 C ATOM 699 NZ LYS A 44 10.924 30.024 -4.316 1.00 54.10 N ATOM 0 H LYS A 44 14.722 26.357 -5.211 1.00 54.10 H new ATOM 0 HA LYS A 44 14.788 24.922 -2.625 1.00 51.22 H new ATOM 0 HB2 LYS A 44 13.518 26.798 -1.657 1.00 51.40 H new ATOM 0 HB3 LYS A 44 15.100 27.315 -2.205 1.00 51.40 H new ATOM 0 HG2 LYS A 44 13.826 29.029 -3.054 1.00 5.22 H new ATOM 0 HG3 LYS A 44 13.789 27.941 -4.428 1.00 5.22 H new ATOM 0 HD2 LYS A 44 11.559 27.589 -4.231 1.00 24.34 H new ATOM 0 HD3 LYS A 44 11.666 27.318 -2.503 1.00 24.34 H new ATOM 0 HE2 LYS A 44 10.519 29.282 -2.373 1.00 54.44 H new ATOM 0 HE3 LYS A 44 12.106 30.002 -2.558 1.00 54.44 H new ATOM 0 HZ1 LYS A 44 10.524 30.960 -4.102 1.00 54.10 H new ATOM 0 HZ2 LYS A 44 11.738 30.133 -4.954 1.00 54.10 H new ATOM 0 HZ3 LYS A 44 10.200 29.435 -4.775 1.00 54.10 H new ATOM 713 N LEU A 45 12.427 24.153 -2.888 1.00 43.05 N ATOM 714 CA LEU A 45 11.131 23.542 -3.159 1.00 34.34 C ATOM 715 C LEU A 45 10.008 24.566 -3.028 1.00 32.12 C ATOM 716 O LEU A 45 9.983 25.359 -2.085 1.00 71.33 O ATOM 717 CB LEU A 45 10.886 22.374 -2.201 1.00 55.30 C ATOM 718 CG LEU A 45 11.652 21.086 -2.503 1.00 50.11 C ATOM 719 CD1 LEU A 45 11.420 20.652 -3.942 1.00 44.32 C ATOM 720 CD2 LEU A 45 13.138 21.274 -2.233 1.00 72.22 C ATOM 0 H LEU A 45 12.890 23.806 -2.048 1.00 43.05 H new ATOM 0 HA LEU A 45 11.140 23.169 -4.183 1.00 34.34 H new ATOM 0 HB2 LEU A 45 11.143 22.698 -1.192 1.00 55.30 H new ATOM 0 HB3 LEU A 45 9.820 22.147 -2.201 1.00 55.30 H new ATOM 0 HG LEU A 45 11.280 20.301 -1.844 1.00 50.11 H new ATOM 0 HD11 LEU A 45 11.973 19.734 -4.139 1.00 44.32 H new ATOM 0 HD12 LEU A 45 10.356 20.476 -4.102 1.00 44.32 H new ATOM 0 HD13 LEU A 45 11.764 21.435 -4.618 1.00 44.32 H new ATOM 0 HD21 LEU A 45 13.668 20.347 -2.453 1.00 72.22 H new ATOM 0 HD22 LEU A 45 13.525 22.072 -2.866 1.00 72.22 H new ATOM 0 HD23 LEU A 45 13.287 21.537 -1.186 1.00 72.22 H new ATOM 732 N LEU A 46 9.079 24.543 -3.978 1.00 24.35 N ATOM 733 CA LEU A 46 7.951 25.468 -3.968 1.00 25.13 C ATOM 734 C LEU A 46 6.915 25.052 -2.929 1.00 31.21 C ATOM 735 O LEU A 46 6.805 25.663 -1.867 1.00 4.01 O ATOM 736 CB LEU A 46 7.306 25.530 -5.353 1.00 15.21 C ATOM 737 CG LEU A 46 8.028 26.388 -6.392 1.00 60.14 C ATOM 738 CD1 LEU A 46 8.184 27.815 -5.891 1.00 41.34 C ATOM 739 CD2 LEU A 46 9.385 25.787 -6.729 1.00 42.50 C ATOM 0 H LEU A 46 9.085 23.894 -4.765 1.00 24.35 H new ATOM 0 HA LEU A 46 8.325 26.457 -3.704 1.00 25.13 H new ATOM 0 HB2 LEU A 46 7.228 24.514 -5.741 1.00 15.21 H new ATOM 0 HB3 LEU A 46 6.290 25.908 -5.242 1.00 15.21 H new ATOM 0 HG LEU A 46 7.426 26.408 -7.300 1.00 60.14 H new ATOM 0 HD11 LEU A 46 8.700 28.411 -6.644 1.00 41.34 H new ATOM 0 HD12 LEU A 46 7.200 28.244 -5.701 1.00 41.34 H new ATOM 0 HD13 LEU A 46 8.764 27.815 -4.968 1.00 41.34 H new ATOM 0 HD21 LEU A 46 9.885 26.411 -7.470 1.00 42.50 H new ATOM 0 HD22 LEU A 46 9.995 25.736 -5.827 1.00 42.50 H new ATOM 0 HD23 LEU A 46 9.249 24.783 -7.132 1.00 42.50 H new ATOM 751 N GLY A 47 6.157 24.005 -3.243 1.00 12.42 N ATOM 752 CA GLY A 47 5.140 23.524 -2.326 1.00 5.04 C ATOM 753 C GLY A 47 5.619 22.351 -1.493 1.00 43.22 C ATOM 754 O GLY A 47 5.044 21.263 -1.551 1.00 5.31 O ATOM 0 H GLY A 47 6.229 23.482 -4.116 1.00 12.42 H new ATOM 0 HA2 GLY A 47 4.838 24.336 -1.665 1.00 5.04 H new ATOM 0 HA3 GLY A 47 4.256 23.228 -2.891 1.00 5.04 H new ATOM 758 N LEU A 48 6.676 22.570 -0.718 1.00 14.31 N ATOM 759 CA LEU A 48 7.233 21.522 0.129 1.00 24.14 C ATOM 760 C LEU A 48 6.164 20.937 1.047 1.00 64.45 C ATOM 761 O LEU A 48 6.276 19.798 1.501 1.00 70.33 O ATOM 762 CB LEU A 48 8.390 22.075 0.964 1.00 63.45 C ATOM 763 CG LEU A 48 8.073 23.298 1.825 1.00 74.35 C ATOM 764 CD1 LEU A 48 7.593 22.870 3.203 1.00 41.11 C ATOM 765 CD2 LEU A 48 9.292 24.201 1.938 1.00 31.05 C ATOM 0 H LEU A 48 7.164 23.464 -0.659 1.00 14.31 H new ATOM 0 HA LEU A 48 7.606 20.727 -0.517 1.00 24.14 H new ATOM 0 HB2 LEU A 48 8.753 21.281 1.616 1.00 63.45 H new ATOM 0 HB3 LEU A 48 9.207 22.332 0.290 1.00 63.45 H new ATOM 0 HG LEU A 48 7.273 23.861 1.343 1.00 74.35 H new ATOM 0 HD11 LEU A 48 7.372 23.753 3.802 1.00 41.11 H new ATOM 0 HD12 LEU A 48 6.692 22.265 3.103 1.00 41.11 H new ATOM 0 HD13 LEU A 48 8.371 22.284 3.693 1.00 41.11 H new ATOM 0 HD21 LEU A 48 9.048 25.066 2.554 1.00 31.05 H new ATOM 0 HD22 LEU A 48 10.113 23.649 2.396 1.00 31.05 H new ATOM 0 HD23 LEU A 48 9.590 24.536 0.944 1.00 31.05 H new ATOM 777 N LYS A 49 5.127 21.722 1.314 1.00 53.33 N ATOM 778 CA LYS A 49 4.035 21.282 2.174 1.00 55.14 C ATOM 779 C LYS A 49 2.802 20.925 1.348 1.00 25.34 C ATOM 780 O LYS A 49 2.507 21.572 0.344 1.00 71.34 O ATOM 781 CB LYS A 49 3.684 22.374 3.187 1.00 53.34 C ATOM 782 CG LYS A 49 4.132 23.763 2.764 1.00 21.40 C ATOM 783 CD LYS A 49 3.605 24.830 3.708 1.00 53.32 C ATOM 784 CE LYS A 49 4.702 25.797 4.125 1.00 43.13 C ATOM 785 NZ LYS A 49 4.773 26.979 3.221 1.00 22.23 N ATOM 0 H LYS A 49 5.019 22.668 0.947 1.00 53.33 H new ATOM 0 HA LYS A 49 4.364 20.391 2.709 1.00 55.14 H new ATOM 0 HB2 LYS A 49 2.605 22.381 3.342 1.00 53.34 H new ATOM 0 HB3 LYS A 49 4.142 22.130 4.145 1.00 53.34 H new ATOM 0 HG2 LYS A 49 5.221 23.803 2.739 1.00 21.40 H new ATOM 0 HG3 LYS A 49 3.783 23.967 1.752 1.00 21.40 H new ATOM 0 HD2 LYS A 49 2.799 25.380 3.223 1.00 53.32 H new ATOM 0 HD3 LYS A 49 3.180 24.356 4.593 1.00 53.32 H new ATOM 0 HE2 LYS A 49 4.522 26.132 5.147 1.00 43.13 H new ATOM 0 HE3 LYS A 49 5.662 25.280 4.123 1.00 43.13 H new ATOM 0 HZ1 LYS A 49 5.533 27.614 3.539 1.00 22.23 H new ATOM 0 HZ2 LYS A 49 4.970 26.662 2.250 1.00 22.23 H new ATOM 0 HZ3 LYS A 49 3.866 27.487 3.242 1.00 22.23 H new ATOM 799 N VAL A 50 2.086 19.892 1.780 1.00 60.51 N ATOM 800 CA VAL A 50 0.884 19.450 1.082 1.00 23.03 C ATOM 801 C VAL A 50 -0.174 18.961 2.065 1.00 4.44 C ATOM 802 O VAL A 50 0.145 18.343 3.081 1.00 10.03 O ATOM 803 CB VAL A 50 1.199 18.322 0.081 1.00 13.52 C ATOM 804 CG1 VAL A 50 1.706 17.087 0.810 1.00 52.33 C ATOM 805 CG2 VAL A 50 -0.030 17.993 -0.753 1.00 33.25 C ATOM 0 H VAL A 50 2.317 19.346 2.610 1.00 60.51 H new ATOM 0 HA VAL A 50 0.499 20.312 0.537 1.00 23.03 H new ATOM 0 HB VAL A 50 1.985 18.665 -0.592 1.00 13.52 H new ATOM 0 HG11 VAL A 50 1.923 16.301 0.087 1.00 52.33 H new ATOM 0 HG12 VAL A 50 2.614 17.336 1.359 1.00 52.33 H new ATOM 0 HG13 VAL A 50 0.944 16.738 1.507 1.00 52.33 H new ATOM 0 HG21 VAL A 50 0.210 17.194 -1.455 1.00 33.25 H new ATOM 0 HG22 VAL A 50 -0.839 17.669 -0.098 1.00 33.25 H new ATOM 0 HG23 VAL A 50 -0.343 18.879 -1.305 1.00 33.25 H new ATOM 815 N LYS A 51 -1.435 19.242 1.757 1.00 40.54 N ATOM 816 CA LYS A 51 -2.542 18.831 2.611 1.00 33.31 C ATOM 817 C LYS A 51 -2.337 19.320 4.041 1.00 13.32 C ATOM 818 O LYS A 51 -2.724 18.651 4.998 1.00 21.22 O ATOM 819 CB LYS A 51 -2.685 17.307 2.598 1.00 45.01 C ATOM 820 CG LYS A 51 -3.042 16.741 1.234 1.00 12.44 C ATOM 821 CD LYS A 51 -4.342 17.328 0.711 1.00 52.43 C ATOM 822 CE LYS A 51 -4.095 18.292 -0.440 1.00 60.21 C ATOM 823 NZ LYS A 51 -5.352 18.949 -0.893 1.00 11.21 N ATOM 0 H LYS A 51 -1.716 19.754 0.921 1.00 40.54 H new ATOM 0 HA LYS A 51 -3.455 19.279 2.220 1.00 33.31 H new ATOM 0 HB2 LYS A 51 -1.749 16.860 2.934 1.00 45.01 H new ATOM 0 HB3 LYS A 51 -3.453 17.016 3.315 1.00 45.01 H new ATOM 0 HG2 LYS A 51 -2.237 16.951 0.530 1.00 12.44 H new ATOM 0 HG3 LYS A 51 -3.132 15.657 1.301 1.00 12.44 H new ATOM 0 HD2 LYS A 51 -4.998 16.523 0.379 1.00 52.43 H new ATOM 0 HD3 LYS A 51 -4.858 17.848 1.518 1.00 52.43 H new ATOM 0 HE2 LYS A 51 -3.379 19.053 -0.129 1.00 60.21 H new ATOM 0 HE3 LYS A 51 -3.646 17.754 -1.274 1.00 60.21 H new ATOM 0 HZ1 LYS A 51 -5.141 19.598 -1.678 1.00 11.21 H new ATOM 0 HZ2 LYS A 51 -6.026 18.225 -1.214 1.00 11.21 H new ATOM 0 HZ3 LYS A 51 -5.768 19.484 -0.104 1.00 11.21 H new ATOM 837 N GLY A 52 -1.727 20.494 4.179 1.00 74.23 N ATOM 838 CA GLY A 52 -1.483 21.053 5.495 1.00 13.23 C ATOM 839 C GLY A 52 -0.211 20.521 6.124 1.00 1.34 C ATOM 840 O GLY A 52 0.291 21.082 7.099 1.00 14.00 O ATOM 0 H GLY A 52 -1.398 21.067 3.402 1.00 74.23 H new ATOM 0 HA2 GLY A 52 -1.421 22.139 5.419 1.00 13.23 H new ATOM 0 HA3 GLY A 52 -2.328 20.827 6.145 1.00 13.23 H new ATOM 844 N LYS A 53 0.313 19.435 5.568 1.00 70.53 N ATOM 845 CA LYS A 53 1.535 18.825 6.080 1.00 54.14 C ATOM 846 C LYS A 53 2.767 19.557 5.558 1.00 24.42 C ATOM 847 O LYS A 53 2.773 20.106 4.457 1.00 50.34 O ATOM 848 CB LYS A 53 1.598 17.349 5.682 1.00 62.25 C ATOM 849 CG LYS A 53 0.586 16.479 6.407 1.00 3.02 C ATOM 850 CD LYS A 53 0.858 16.437 7.902 1.00 74.53 C ATOM 851 CE LYS A 53 -0.391 16.767 8.705 1.00 53.15 C ATOM 852 NZ LYS A 53 -0.527 15.894 9.903 1.00 12.14 N ATOM 0 H LYS A 53 -0.090 18.958 4.761 1.00 70.53 H new ATOM 0 HA LYS A 53 1.522 18.901 7.167 1.00 54.14 H new ATOM 0 HB2 LYS A 53 1.434 17.264 4.608 1.00 62.25 H new ATOM 0 HB3 LYS A 53 2.600 16.970 5.883 1.00 62.25 H new ATOM 0 HG2 LYS A 53 -0.419 16.863 6.229 1.00 3.02 H new ATOM 0 HG3 LYS A 53 0.617 15.468 6.002 1.00 3.02 H new ATOM 0 HD2 LYS A 53 1.219 15.447 8.180 1.00 74.53 H new ATOM 0 HD3 LYS A 53 1.649 17.146 8.149 1.00 74.53 H new ATOM 0 HE2 LYS A 53 -0.356 17.810 9.018 1.00 53.15 H new ATOM 0 HE3 LYS A 53 -1.271 16.654 8.071 1.00 53.15 H new ATOM 0 HZ1 LYS A 53 -1.390 16.150 10.423 1.00 12.14 H new ATOM 0 HZ2 LYS A 53 -0.586 14.900 9.603 1.00 12.14 H new ATOM 0 HZ3 LYS A 53 0.300 16.021 10.521 1.00 12.14 H new ATOM 866 N PRO A 54 3.838 19.564 6.366 1.00 22.40 N ATOM 867 CA PRO A 54 5.097 20.222 6.006 1.00 42.42 C ATOM 868 C PRO A 54 5.829 19.499 4.880 1.00 33.14 C ATOM 869 O PRO A 54 6.463 20.128 4.034 1.00 2.45 O ATOM 870 CB PRO A 54 5.913 20.161 7.300 1.00 74.12 C ATOM 871 CG PRO A 54 5.365 18.988 8.037 1.00 10.13 C ATOM 872 CD PRO A 54 3.902 18.929 7.693 1.00 24.50 C ATOM 0 HA PRO A 54 4.935 21.234 5.635 1.00 42.42 H new ATOM 0 HB2 PRO A 54 6.976 20.037 7.093 1.00 74.12 H new ATOM 0 HB3 PRO A 54 5.806 21.078 7.879 1.00 74.12 H new ATOM 0 HG2 PRO A 54 5.873 18.070 7.742 1.00 10.13 H new ATOM 0 HG3 PRO A 54 5.509 19.100 9.112 1.00 10.13 H new ATOM 0 HD2 PRO A 54 3.537 17.902 7.665 1.00 24.50 H new ATOM 0 HD3 PRO A 54 3.295 19.464 8.424 1.00 24.50 H new ATOM 880 N ALA A 55 5.735 18.173 4.876 1.00 3.24 N ATOM 881 CA ALA A 55 6.386 17.365 3.853 1.00 23.42 C ATOM 882 C ALA A 55 7.758 17.928 3.499 1.00 42.14 C ATOM 883 O ALA A 55 8.150 17.943 2.332 1.00 21.23 O ATOM 884 CB ALA A 55 5.511 17.280 2.611 1.00 2.04 C ATOM 0 H ALA A 55 5.214 17.636 5.570 1.00 3.24 H new ATOM 0 HA ALA A 55 6.527 16.361 4.254 1.00 23.42 H new ATOM 0 HB1 ALA A 55 6.010 16.673 1.855 1.00 2.04 H new ATOM 0 HB2 ALA A 55 4.555 16.824 2.870 1.00 2.04 H new ATOM 0 HB3 ALA A 55 5.340 18.282 2.217 1.00 2.04 H new ATOM 890 N GLU A 56 8.483 18.392 4.512 1.00 33.43 N ATOM 891 CA GLU A 56 9.810 18.958 4.306 1.00 65.45 C ATOM 892 C GLU A 56 10.796 17.883 3.857 1.00 25.44 C ATOM 893 O GLU A 56 11.157 17.807 2.684 1.00 74.54 O ATOM 894 CB GLU A 56 10.312 19.622 5.590 1.00 72.44 C ATOM 895 CG GLU A 56 11.724 20.171 5.479 1.00 1.14 C ATOM 896 CD GLU A 56 11.782 21.674 5.673 1.00 61.00 C ATOM 897 OE1 GLU A 56 11.081 22.396 4.934 1.00 74.51 O ATOM 898 OE2 GLU A 56 12.530 22.128 6.565 1.00 54.25 O ATOM 0 H GLU A 56 8.173 18.387 5.484 1.00 33.43 H new ATOM 0 HA GLU A 56 9.737 19.711 3.521 1.00 65.45 H new ATOM 0 HB2 GLU A 56 9.636 20.434 5.858 1.00 72.44 H new ATOM 0 HB3 GLU A 56 10.276 18.896 6.402 1.00 72.44 H new ATOM 0 HG2 GLU A 56 12.357 19.688 6.223 1.00 1.14 H new ATOM 0 HG3 GLU A 56 12.132 19.919 4.500 1.00 1.14 H new ATOM 905 N ASN A 57 11.229 17.054 4.802 1.00 2.12 N ATOM 906 CA ASN A 57 12.175 15.984 4.506 1.00 75.22 C ATOM 907 C ASN A 57 12.042 14.846 5.514 1.00 41.40 C ATOM 908 O ASN A 57 12.138 13.672 5.157 1.00 45.22 O ATOM 909 CB ASN A 57 13.606 16.523 4.514 1.00 43.04 C ATOM 910 CG ASN A 57 13.799 17.639 5.523 1.00 75.43 C ATOM 911 OD1 ASN A 57 13.409 17.514 6.684 1.00 55.42 O ATOM 912 ND2 ASN A 57 14.402 18.737 5.083 1.00 62.42 N ATOM 0 H ASN A 57 10.940 17.103 5.779 1.00 2.12 H new ATOM 0 HA ASN A 57 11.946 15.595 3.514 1.00 75.22 H new ATOM 0 HB2 ASN A 57 14.296 15.710 4.739 1.00 43.04 H new ATOM 0 HB3 ASN A 57 13.859 16.889 3.519 1.00 43.04 H new ATOM 0 HD21 ASN A 57 14.559 19.521 5.716 1.00 62.42 H new ATOM 0 HD22 ASN A 57 14.709 18.796 4.112 1.00 62.42 H new ATOM 919 N ASP A 58 11.820 15.203 6.774 1.00 2.22 N ATOM 920 CA ASP A 58 11.673 14.213 7.835 1.00 54.04 C ATOM 921 C ASP A 58 10.329 13.499 7.728 1.00 13.11 C ATOM 922 O ASP A 58 10.027 12.600 8.514 1.00 44.34 O ATOM 923 CB ASP A 58 11.803 14.879 9.205 1.00 1.02 C ATOM 924 CG ASP A 58 11.744 13.879 10.343 1.00 73.31 C ATOM 925 OD1 ASP A 58 12.567 12.939 10.351 1.00 54.02 O ATOM 926 OD2 ASP A 58 10.875 14.036 11.226 1.00 40.01 O ATOM 0 H ASP A 58 11.738 16.171 7.086 1.00 2.22 H new ATOM 0 HA ASP A 58 12.467 13.475 7.722 1.00 54.04 H new ATOM 0 HB2 ASP A 58 12.746 15.424 9.253 1.00 1.02 H new ATOM 0 HB3 ASP A 58 11.005 15.611 9.327 1.00 1.02 H new ATOM 931 N VAL A 59 9.524 13.906 6.752 1.00 53.13 N ATOM 932 CA VAL A 59 8.212 13.306 6.542 1.00 33.42 C ATOM 933 C VAL A 59 8.285 12.164 5.535 1.00 75.24 C ATOM 934 O VAL A 59 9.100 12.185 4.612 1.00 11.53 O ATOM 935 CB VAL A 59 7.190 14.347 6.048 1.00 1.13 C ATOM 936 CG1 VAL A 59 5.795 14.007 6.550 1.00 61.51 C ATOM 937 CG2 VAL A 59 7.598 15.744 6.490 1.00 3.34 C ATOM 0 H VAL A 59 9.758 14.649 6.094 1.00 53.13 H new ATOM 0 HA VAL A 59 7.885 12.917 7.506 1.00 33.42 H new ATOM 0 HB VAL A 59 7.173 14.325 4.958 1.00 1.13 H new ATOM 0 HG11 VAL A 59 5.087 14.754 6.191 1.00 61.51 H new ATOM 0 HG12 VAL A 59 5.505 13.024 6.180 1.00 61.51 H new ATOM 0 HG13 VAL A 59 5.792 13.999 7.640 1.00 61.51 H new ATOM 0 HG21 VAL A 59 6.865 16.467 6.133 1.00 3.34 H new ATOM 0 HG22 VAL A 59 7.645 15.782 7.578 1.00 3.34 H new ATOM 0 HG23 VAL A 59 8.577 15.985 6.076 1.00 3.34 H new ATOM 947 N LYS A 60 7.426 11.166 5.716 1.00 11.22 N ATOM 948 CA LYS A 60 7.390 10.015 4.823 1.00 70.35 C ATOM 949 C LYS A 60 6.404 10.242 3.681 1.00 1.21 C ATOM 950 O LYS A 60 5.382 10.908 3.853 1.00 20.14 O ATOM 951 CB LYS A 60 7.006 8.753 5.598 1.00 32.25 C ATOM 952 CG LYS A 60 8.099 8.253 6.527 1.00 43.03 C ATOM 953 CD LYS A 60 8.031 6.746 6.708 1.00 20.12 C ATOM 954 CE LYS A 60 8.276 6.347 8.155 1.00 15.25 C ATOM 955 NZ LYS A 60 8.545 4.889 8.291 1.00 25.00 N ATOM 0 H LYS A 60 6.745 11.132 6.474 1.00 11.22 H new ATOM 0 HA LYS A 60 8.386 9.885 4.400 1.00 70.35 H new ATOM 0 HB2 LYS A 60 6.108 8.955 6.182 1.00 32.25 H new ATOM 0 HB3 LYS A 60 6.754 7.964 4.889 1.00 32.25 H new ATOM 0 HG2 LYS A 60 9.074 8.528 6.125 1.00 43.03 H new ATOM 0 HG3 LYS A 60 8.005 8.741 7.497 1.00 43.03 H new ATOM 0 HD2 LYS A 60 7.053 6.384 6.390 1.00 20.12 H new ATOM 0 HD3 LYS A 60 8.772 6.268 6.067 1.00 20.12 H new ATOM 0 HE2 LYS A 60 9.122 6.910 8.549 1.00 15.25 H new ATOM 0 HE3 LYS A 60 7.407 6.614 8.757 1.00 15.25 H new ATOM 0 HZ1 LYS A 60 8.707 4.658 9.292 1.00 25.00 H new ATOM 0 HZ2 LYS A 60 7.728 4.351 7.939 1.00 25.00 H new ATOM 0 HZ3 LYS A 60 9.389 4.639 7.737 1.00 25.00 H new ATOM 969 N LEU A 61 6.716 9.685 2.516 1.00 32.23 N ATOM 970 CA LEU A 61 5.856 9.826 1.346 1.00 30.33 C ATOM 971 C LEU A 61 4.421 9.426 1.674 1.00 70.53 C ATOM 972 O LEU A 61 3.470 10.058 1.217 1.00 12.45 O ATOM 973 CB LEU A 61 6.386 8.971 0.194 1.00 74.52 C ATOM 974 CG LEU A 61 7.895 9.025 -0.044 1.00 22.14 C ATOM 975 CD1 LEU A 61 8.292 8.089 -1.175 1.00 14.10 C ATOM 976 CD2 LEU A 61 8.336 10.449 -0.348 1.00 4.23 C ATOM 0 H LEU A 61 7.558 9.132 2.356 1.00 32.23 H new ATOM 0 HA LEU A 61 5.861 10.874 1.045 1.00 30.33 H new ATOM 0 HB2 LEU A 61 6.105 7.934 0.378 1.00 74.52 H new ATOM 0 HB3 LEU A 61 5.883 9.280 -0.722 1.00 74.52 H new ATOM 0 HG LEU A 61 8.398 8.696 0.865 1.00 22.14 H new ATOM 0 HD11 LEU A 61 9.370 8.141 -1.329 1.00 14.10 H new ATOM 0 HD12 LEU A 61 8.012 7.068 -0.917 1.00 14.10 H new ATOM 0 HD13 LEU A 61 7.780 8.386 -2.090 1.00 14.10 H new ATOM 0 HD21 LEU A 61 9.413 10.469 -0.515 1.00 4.23 H new ATOM 0 HD22 LEU A 61 7.824 10.806 -1.242 1.00 4.23 H new ATOM 0 HD23 LEU A 61 8.087 11.095 0.494 1.00 4.23 H new ATOM 988 N GLY A 62 4.273 8.371 2.470 1.00 71.22 N ATOM 989 CA GLY A 62 2.951 7.906 2.847 1.00 71.34 C ATOM 990 C GLY A 62 2.302 8.789 3.894 1.00 42.02 C ATOM 991 O GLY A 62 1.090 8.731 4.101 1.00 65.45 O ATOM 0 H GLY A 62 5.045 7.830 2.860 1.00 71.22 H new ATOM 0 HA2 GLY A 62 2.316 7.870 1.962 1.00 71.34 H new ATOM 0 HA3 GLY A 62 3.023 6.888 3.229 1.00 71.34 H new ATOM 995 N ALA A 63 3.111 9.609 4.558 1.00 73.35 N ATOM 996 CA ALA A 63 2.608 10.508 5.589 1.00 42.03 C ATOM 997 C ALA A 63 2.079 11.801 4.979 1.00 52.54 C ATOM 998 O ALA A 63 1.307 12.527 5.608 1.00 23.41 O ATOM 999 CB ALA A 63 3.700 10.810 6.604 1.00 24.51 C ATOM 0 H ALA A 63 4.117 9.669 4.400 1.00 73.35 H new ATOM 0 HA ALA A 63 1.781 10.012 6.097 1.00 42.03 H new ATOM 0 HB1 ALA A 63 3.310 11.483 7.368 1.00 24.51 H new ATOM 0 HB2 ALA A 63 4.029 9.882 7.071 1.00 24.51 H new ATOM 0 HB3 ALA A 63 4.544 11.282 6.101 1.00 24.51 H new ATOM 1005 N LEU A 64 2.498 12.086 3.751 1.00 71.34 N ATOM 1006 CA LEU A 64 2.066 13.293 3.055 1.00 2.20 C ATOM 1007 C LEU A 64 0.717 13.078 2.377 1.00 51.00 C ATOM 1008 O LEU A 64 0.010 14.035 2.058 1.00 64.41 O ATOM 1009 CB LEU A 64 3.111 13.709 2.018 1.00 74.14 C ATOM 1010 CG LEU A 64 4.535 13.208 2.261 1.00 73.12 C ATOM 1011 CD1 LEU A 64 5.444 13.602 1.107 1.00 14.21 C ATOM 1012 CD2 LEU A 64 5.074 13.751 3.576 1.00 34.44 C ATOM 0 H LEU A 64 3.137 11.497 3.216 1.00 71.34 H new ATOM 0 HA LEU A 64 1.958 14.089 3.792 1.00 2.20 H new ATOM 0 HB2 LEU A 64 2.785 13.354 1.040 1.00 74.14 H new ATOM 0 HB3 LEU A 64 3.133 14.798 1.971 1.00 74.14 H new ATOM 0 HG LEU A 64 4.511 12.120 2.322 1.00 73.12 H new ATOM 0 HD11 LEU A 64 6.453 13.237 1.298 1.00 14.21 H new ATOM 0 HD12 LEU A 64 5.068 13.164 0.182 1.00 14.21 H new ATOM 0 HD13 LEU A 64 5.463 14.688 1.013 1.00 14.21 H new ATOM 0 HD21 LEU A 64 6.088 13.384 3.733 1.00 34.44 H new ATOM 0 HD22 LEU A 64 5.083 14.840 3.543 1.00 34.44 H new ATOM 0 HD23 LEU A 64 4.437 13.418 4.396 1.00 34.44 H new ATOM 1024 N LYS A 65 0.364 11.815 2.161 1.00 13.42 N ATOM 1025 CA LYS A 65 -0.902 11.473 1.524 1.00 34.25 C ATOM 1026 C LYS A 65 -1.064 12.214 0.201 1.00 30.21 C ATOM 1027 O LYS A 65 -2.138 12.735 -0.103 1.00 61.24 O ATOM 1028 CB LYS A 65 -2.071 11.807 2.454 1.00 33.32 C ATOM 1029 CG LYS A 65 -1.893 11.281 3.868 1.00 12.11 C ATOM 1030 CD LYS A 65 -1.817 9.764 3.893 1.00 31.25 C ATOM 1031 CE LYS A 65 -1.633 9.239 5.309 1.00 34.41 C ATOM 1032 NZ LYS A 65 -2.912 9.244 6.073 1.00 62.42 N ATOM 0 H LYS A 65 0.937 11.011 2.418 1.00 13.42 H new ATOM 0 HA LYS A 65 -0.900 10.402 1.322 1.00 34.25 H new ATOM 0 HB2 LYS A 65 -2.197 12.889 2.491 1.00 33.32 H new ATOM 0 HB3 LYS A 65 -2.988 11.393 2.034 1.00 33.32 H new ATOM 0 HG2 LYS A 65 -0.984 11.699 4.301 1.00 12.11 H new ATOM 0 HG3 LYS A 65 -2.724 11.615 4.489 1.00 12.11 H new ATOM 0 HD2 LYS A 65 -2.728 9.346 3.464 1.00 31.25 H new ATOM 0 HD3 LYS A 65 -0.988 9.430 3.269 1.00 31.25 H new ATOM 0 HE2 LYS A 65 -1.236 8.224 5.272 1.00 34.41 H new ATOM 0 HE3 LYS A 65 -0.896 9.850 5.830 1.00 34.41 H new ATOM 0 HZ1 LYS A 65 -2.745 8.879 7.032 1.00 62.42 H new ATOM 0 HZ2 LYS A 65 -3.278 10.216 6.131 1.00 62.42 H new ATOM 0 HZ3 LYS A 65 -3.607 8.640 5.590 1.00 62.42 H new ATOM 1046 N LEU A 66 0.008 12.256 -0.583 1.00 12.35 N ATOM 1047 CA LEU A 66 -0.016 12.932 -1.875 1.00 44.40 C ATOM 1048 C LEU A 66 -0.286 11.942 -3.003 1.00 23.20 C ATOM 1049 O LEU A 66 0.030 10.757 -2.893 1.00 21.15 O ATOM 1050 CB LEU A 66 1.311 13.653 -2.120 1.00 65.52 C ATOM 1051 CG LEU A 66 1.275 15.178 -2.024 1.00 41.22 C ATOM 1052 CD1 LEU A 66 2.669 15.758 -2.206 1.00 62.11 C ATOM 1053 CD2 LEU A 66 0.317 15.755 -3.056 1.00 71.32 C ATOM 0 H LEU A 66 0.904 11.830 -0.346 1.00 12.35 H new ATOM 0 HA LEU A 66 -0.823 13.665 -1.859 1.00 44.40 H new ATOM 0 HB2 LEU A 66 2.041 13.281 -1.401 1.00 65.52 H new ATOM 0 HB3 LEU A 66 1.672 13.380 -3.112 1.00 65.52 H new ATOM 0 HG LEU A 66 0.917 15.452 -1.032 1.00 41.22 H new ATOM 0 HD11 LEU A 66 2.623 16.845 -2.134 1.00 62.11 H new ATOM 0 HD12 LEU A 66 3.328 15.371 -1.429 1.00 62.11 H new ATOM 0 HD13 LEU A 66 3.056 15.475 -3.185 1.00 62.11 H new ATOM 0 HD21 LEU A 66 0.304 16.842 -2.973 1.00 71.32 H new ATOM 0 HD22 LEU A 66 0.645 15.471 -4.056 1.00 71.32 H new ATOM 0 HD23 LEU A 66 -0.686 15.366 -2.879 1.00 71.32 H new ATOM 1065 N LYS A 67 -0.870 12.435 -4.089 1.00 53.24 N ATOM 1066 CA LYS A 67 -1.180 11.595 -5.240 1.00 52.54 C ATOM 1067 C LYS A 67 0.096 11.139 -5.940 1.00 31.41 C ATOM 1068 O LYS A 67 1.163 11.734 -5.789 1.00 12.35 O ATOM 1069 CB LYS A 67 -2.071 12.355 -6.226 1.00 72.53 C ATOM 1070 CG LYS A 67 -3.556 12.111 -6.016 1.00 3.50 C ATOM 1071 CD LYS A 67 -4.006 12.567 -4.638 1.00 25.21 C ATOM 1072 CE LYS A 67 -4.308 11.384 -3.731 1.00 63.41 C ATOM 1073 NZ LYS A 67 -5.224 11.757 -2.618 1.00 41.53 N ATOM 0 H LYS A 67 -1.139 13.413 -4.197 1.00 53.24 H new ATOM 0 HA LYS A 67 -1.712 10.714 -4.883 1.00 52.54 H new ATOM 0 HB2 LYS A 67 -1.870 13.423 -6.136 1.00 72.53 H new ATOM 0 HB3 LYS A 67 -1.804 12.065 -7.242 1.00 72.53 H new ATOM 0 HG2 LYS A 67 -4.125 12.642 -6.780 1.00 3.50 H new ATOM 0 HG3 LYS A 67 -3.772 11.050 -6.138 1.00 3.50 H new ATOM 0 HD2 LYS A 67 -3.230 13.184 -4.186 1.00 25.21 H new ATOM 0 HD3 LYS A 67 -4.895 13.191 -4.732 1.00 25.21 H new ATOM 0 HE2 LYS A 67 -4.757 10.582 -4.317 1.00 63.41 H new ATOM 0 HE3 LYS A 67 -3.377 10.995 -3.320 1.00 63.41 H new ATOM 0 HZ1 LYS A 67 -5.405 10.923 -2.023 1.00 41.53 H new ATOM 0 HZ2 LYS A 67 -4.785 12.504 -2.043 1.00 41.53 H new ATOM 0 HZ3 LYS A 67 -6.123 12.104 -3.010 1.00 41.53 H new ATOM 1087 N PRO A 68 -0.014 10.057 -6.726 1.00 4.22 N ATOM 1088 CA PRO A 68 1.122 9.498 -7.466 1.00 14.21 C ATOM 1089 C PRO A 68 1.571 10.403 -8.608 1.00 4.33 C ATOM 1090 O PRO A 68 2.763 10.509 -8.896 1.00 74.30 O ATOM 1091 CB PRO A 68 0.572 8.179 -8.014 1.00 64.31 C ATOM 1092 CG PRO A 68 -0.901 8.386 -8.096 1.00 4.15 C ATOM 1093 CD PRO A 68 -1.254 9.297 -6.953 1.00 13.13 C ATOM 0 HA PRO A 68 2.002 9.380 -6.834 1.00 14.21 H new ATOM 0 HB2 PRO A 68 0.994 7.950 -8.992 1.00 64.31 H new ATOM 0 HB3 PRO A 68 0.818 7.344 -7.358 1.00 64.31 H new ATOM 0 HG2 PRO A 68 -1.180 8.831 -9.051 1.00 4.15 H new ATOM 0 HG3 PRO A 68 -1.433 7.438 -8.019 1.00 4.15 H new ATOM 0 HD2 PRO A 68 -2.087 9.953 -7.205 1.00 13.13 H new ATOM 0 HD3 PRO A 68 -1.548 8.734 -6.067 1.00 13.13 H new ATOM 1101 N ASN A 69 0.610 11.055 -9.254 1.00 1.21 N ATOM 1102 CA ASN A 69 0.908 11.952 -10.365 1.00 22.22 C ATOM 1103 C ASN A 69 1.417 13.297 -9.856 1.00 43.25 C ATOM 1104 O ASN A 69 1.991 14.083 -10.612 1.00 33.11 O ATOM 1105 CB ASN A 69 -0.337 12.159 -11.229 1.00 35.32 C ATOM 1106 CG ASN A 69 -0.827 10.867 -11.855 1.00 55.53 C ATOM 1107 OD1 ASN A 69 -0.059 10.137 -12.480 1.00 25.31 O ATOM 1108 ND2 ASN A 69 -2.114 10.581 -11.691 1.00 3.13 N ATOM 0 H ASN A 69 -0.382 10.979 -9.028 1.00 1.21 H new ATOM 0 HA ASN A 69 1.690 11.493 -10.971 1.00 22.22 H new ATOM 0 HB2 ASN A 69 -1.132 12.589 -10.619 1.00 35.32 H new ATOM 0 HB3 ASN A 69 -0.114 12.879 -12.016 1.00 35.32 H new ATOM 0 HD21 ASN A 69 -2.502 9.727 -12.091 1.00 3.13 H new ATOM 0 HD22 ASN A 69 -2.714 11.216 -11.165 1.00 3.13 H new ATOM 1115 N THR A 70 1.205 13.557 -8.570 1.00 74.30 N ATOM 1116 CA THR A 70 1.641 14.806 -7.960 1.00 52.41 C ATOM 1117 C THR A 70 2.924 15.315 -8.607 1.00 11.40 C ATOM 1118 O THR A 70 3.927 14.604 -8.665 1.00 1.01 O ATOM 1119 CB THR A 70 1.873 14.642 -6.446 1.00 70.33 C ATOM 1120 OG1 THR A 70 0.636 14.341 -5.791 1.00 31.32 O ATOM 1121 CG2 THR A 70 2.474 15.906 -5.850 1.00 61.43 C ATOM 0 H THR A 70 0.733 12.918 -7.930 1.00 74.30 H new ATOM 0 HA THR A 70 0.843 15.531 -8.121 1.00 52.41 H new ATOM 0 HB THR A 70 2.573 13.820 -6.295 1.00 70.33 H new ATOM 0 HG1 THR A 70 0.652 13.415 -5.472 1.00 31.32 H new ATOM 0 HG21 THR A 70 2.629 15.766 -4.780 1.00 61.43 H new ATOM 0 HG22 THR A 70 3.430 16.116 -6.330 1.00 61.43 H new ATOM 0 HG23 THR A 70 1.795 16.743 -6.012 1.00 61.43 H new ATOM 1129 N LYS A 71 2.886 16.552 -9.092 1.00 60.33 N ATOM 1130 CA LYS A 71 4.046 17.158 -9.734 1.00 5.21 C ATOM 1131 C LYS A 71 4.841 17.999 -8.739 1.00 55.14 C ATOM 1132 O LYS A 71 4.270 18.611 -7.836 1.00 3.32 O ATOM 1133 CB LYS A 71 3.606 18.026 -10.915 1.00 4.21 C ATOM 1134 CG LYS A 71 2.565 17.365 -11.801 1.00 60.11 C ATOM 1135 CD LYS A 71 1.196 17.999 -11.622 1.00 1.44 C ATOM 1136 CE LYS A 71 0.162 17.362 -12.537 1.00 40.21 C ATOM 1137 NZ LYS A 71 0.170 17.975 -13.894 1.00 51.22 N ATOM 0 H LYS A 71 2.064 17.154 -9.052 1.00 60.33 H new ATOM 0 HA LYS A 71 4.688 16.356 -10.100 1.00 5.21 H new ATOM 0 HB2 LYS A 71 3.204 18.965 -10.535 1.00 4.21 H new ATOM 0 HB3 LYS A 71 4.479 18.274 -11.518 1.00 4.21 H new ATOM 0 HG2 LYS A 71 2.870 17.445 -12.844 1.00 60.11 H new ATOM 0 HG3 LYS A 71 2.508 16.302 -11.566 1.00 60.11 H new ATOM 0 HD2 LYS A 71 0.879 17.895 -10.584 1.00 1.44 H new ATOM 0 HD3 LYS A 71 1.259 19.067 -11.830 1.00 1.44 H new ATOM 0 HE2 LYS A 71 0.360 16.293 -12.620 1.00 40.21 H new ATOM 0 HE3 LYS A 71 -0.829 17.469 -12.096 1.00 40.21 H new ATOM 0 HZ1 LYS A 71 -0.549 17.514 -14.488 1.00 51.22 H new ATOM 0 HZ2 LYS A 71 -0.044 18.990 -13.818 1.00 51.22 H new ATOM 0 HZ3 LYS A 71 1.108 17.850 -14.326 1.00 51.22 H new ATOM 1151 N ILE A 72 6.158 18.025 -8.913 1.00 14.32 N ATOM 1152 CA ILE A 72 7.028 18.794 -8.032 1.00 24.53 C ATOM 1153 C ILE A 72 7.716 19.925 -8.788 1.00 64.45 C ATOM 1154 O ILE A 72 8.304 19.708 -9.848 1.00 2.52 O ATOM 1155 CB ILE A 72 8.101 17.900 -7.381 1.00 34.22 C ATOM 1156 CG1 ILE A 72 7.441 16.753 -6.611 1.00 45.41 C ATOM 1157 CG2 ILE A 72 8.988 18.723 -6.459 1.00 33.11 C ATOM 1158 CD1 ILE A 72 6.477 17.219 -5.543 1.00 32.30 C ATOM 0 H ILE A 72 6.645 17.523 -9.655 1.00 14.32 H new ATOM 0 HA ILE A 72 6.394 19.215 -7.252 1.00 24.53 H new ATOM 0 HB ILE A 72 8.724 17.474 -8.167 1.00 34.22 H new ATOM 0 HG12 ILE A 72 6.909 16.112 -7.315 1.00 45.41 H new ATOM 0 HG13 ILE A 72 8.217 16.143 -6.148 1.00 45.41 H new ATOM 0 HG21 ILE A 72 9.741 18.077 -6.007 1.00 33.11 H new ATOM 0 HG22 ILE A 72 9.481 19.508 -7.033 1.00 33.11 H new ATOM 0 HG23 ILE A 72 8.379 19.174 -5.676 1.00 33.11 H new ATOM 0 HD11 ILE A 72 6.047 16.354 -5.038 1.00 32.30 H new ATOM 0 HD12 ILE A 72 7.008 17.835 -4.818 1.00 32.30 H new ATOM 0 HD13 ILE A 72 5.680 17.804 -6.002 1.00 32.30 H new ATOM 1170 N MET A 73 7.640 21.131 -8.236 1.00 61.11 N ATOM 1171 CA MET A 73 8.259 22.296 -8.858 1.00 15.23 C ATOM 1172 C MET A 73 9.571 22.650 -8.165 1.00 33.21 C ATOM 1173 O MET A 73 9.685 22.548 -6.944 1.00 24.21 O ATOM 1174 CB MET A 73 7.305 23.492 -8.811 1.00 63.12 C ATOM 1175 CG MET A 73 5.950 23.214 -9.441 1.00 62.41 C ATOM 1176 SD MET A 73 4.658 24.307 -8.820 1.00 72.21 S ATOM 1177 CE MET A 73 4.394 25.362 -10.243 1.00 72.44 C ATOM 0 H MET A 73 7.156 21.327 -7.360 1.00 61.11 H new ATOM 0 HA MET A 73 8.473 22.051 -9.898 1.00 15.23 H new ATOM 0 HB2 MET A 73 7.159 23.790 -7.773 1.00 63.12 H new ATOM 0 HB3 MET A 73 7.768 24.336 -9.322 1.00 63.12 H new ATOM 0 HG2 MET A 73 6.027 23.326 -10.522 1.00 62.41 H new ATOM 0 HG3 MET A 73 5.669 22.179 -9.247 1.00 62.41 H new ATOM 0 HE1 MET A 73 3.620 26.094 -10.014 1.00 72.44 H new ATOM 0 HE2 MET A 73 5.321 25.879 -10.489 1.00 72.44 H new ATOM 0 HE3 MET A 73 4.080 24.755 -11.093 1.00 72.44 H new ATOM 1187 N MET A 74 10.557 23.065 -8.952 1.00 43.34 N ATOM 1188 CA MET A 74 11.861 23.435 -8.413 1.00 71.32 C ATOM 1189 C MET A 74 12.329 24.768 -8.988 1.00 12.14 C ATOM 1190 O MET A 74 12.388 24.943 -10.204 1.00 43.52 O ATOM 1191 CB MET A 74 12.890 22.345 -8.719 1.00 4.12 C ATOM 1192 CG MET A 74 12.650 21.051 -7.958 1.00 2.45 C ATOM 1193 SD MET A 74 13.928 19.817 -8.266 1.00 35.32 S ATOM 1194 CE MET A 74 13.527 19.326 -9.941 1.00 51.12 C ATOM 0 H MET A 74 10.479 23.154 -9.965 1.00 43.34 H new ATOM 0 HA MET A 74 11.763 23.540 -7.332 1.00 71.32 H new ATOM 0 HB2 MET A 74 12.878 22.135 -9.789 1.00 4.12 H new ATOM 0 HB3 MET A 74 13.885 22.719 -8.479 1.00 4.12 H new ATOM 0 HG2 MET A 74 12.607 21.265 -6.890 1.00 2.45 H new ATOM 0 HG3 MET A 74 11.680 20.642 -8.241 1.00 2.45 H new ATOM 0 HE1 MET A 74 13.648 18.248 -10.043 1.00 51.12 H new ATOM 0 HE2 MET A 74 12.495 19.598 -10.163 1.00 51.12 H new ATOM 0 HE3 MET A 74 14.193 19.834 -10.638 1.00 51.12 H new ATOM 1204 N MET A 75 12.659 25.705 -8.104 1.00 64.53 N ATOM 1205 CA MET A 75 13.123 27.022 -8.525 1.00 32.30 C ATOM 1206 C MET A 75 14.572 27.248 -8.105 1.00 14.14 C ATOM 1207 O MET A 75 14.928 27.057 -6.943 1.00 21.42 O ATOM 1208 CB MET A 75 12.231 28.113 -7.931 1.00 53.51 C ATOM 1209 CG MET A 75 10.793 28.057 -8.422 1.00 1.22 C ATOM 1210 SD MET A 75 10.405 29.376 -9.589 1.00 65.41 S ATOM 1211 CE MET A 75 11.493 28.954 -10.949 1.00 14.32 C ATOM 0 H MET A 75 12.614 25.577 -7.093 1.00 64.53 H new ATOM 0 HA MET A 75 13.068 27.069 -9.613 1.00 32.30 H new ATOM 0 HB2 MET A 75 12.239 28.026 -6.845 1.00 53.51 H new ATOM 0 HB3 MET A 75 12.652 29.088 -8.176 1.00 53.51 H new ATOM 0 HG2 MET A 75 10.613 27.093 -8.897 1.00 1.22 H new ATOM 0 HG3 MET A 75 10.119 28.123 -7.568 1.00 1.22 H new ATOM 0 HE1 MET A 75 11.270 29.591 -11.805 1.00 14.32 H new ATOM 0 HE2 MET A 75 12.529 29.104 -10.646 1.00 14.32 H new ATOM 0 HE3 MET A 75 11.343 27.910 -11.225 1.00 14.32 H new ATOM 1221 N GLY A 76 15.403 27.657 -9.058 1.00 61.13 N ATOM 1222 CA GLY A 76 16.803 27.902 -8.767 1.00 4.04 C ATOM 1223 C GLY A 76 17.696 27.666 -9.969 1.00 21.44 C ATOM 1224 O GLY A 76 17.265 27.818 -11.112 1.00 72.11 O ATOM 0 H GLY A 76 15.132 27.823 -10.027 1.00 61.13 H new ATOM 0 HA2 GLY A 76 16.925 28.929 -8.424 1.00 4.04 H new ATOM 0 HA3 GLY A 76 17.120 27.254 -7.950 1.00 4.04 H new ATOM 1228 N THR A 77 18.946 27.294 -9.712 1.00 23.55 N ATOM 1229 CA THR A 77 19.903 27.039 -10.781 1.00 21.41 C ATOM 1230 C THR A 77 20.651 25.731 -10.549 1.00 72.43 C ATOM 1231 O THR A 77 21.111 25.456 -9.441 1.00 61.41 O ATOM 1232 CB THR A 77 20.924 28.185 -10.906 1.00 40.24 C ATOM 1233 OG1 THR A 77 21.996 27.794 -11.771 1.00 63.10 O ATOM 1234 CG2 THR A 77 21.479 28.567 -9.542 1.00 42.05 C ATOM 0 H THR A 77 19.319 27.163 -8.772 1.00 23.55 H new ATOM 0 HA THR A 77 19.331 26.969 -11.706 1.00 21.41 H new ATOM 0 HB THR A 77 20.415 29.051 -11.328 1.00 40.24 H new ATOM 0 HG1 THR A 77 22.640 28.529 -11.847 1.00 63.10 H new ATOM 0 HG21 THR A 77 22.198 29.378 -9.656 1.00 42.05 H new ATOM 0 HG22 THR A 77 20.664 28.893 -8.896 1.00 42.05 H new ATOM 0 HG23 THR A 77 21.973 27.704 -9.096 1.00 42.05 H new