USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 681 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 44 GLN :FLIP amide:sc= -3.63! C(o=-6.5!,f=-4.4!) USER MOD Set 1.2: A 47 MET CE :methyl 177:sc= -0.755 (180deg=-0.751) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 82:sc= 0.0362 USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= -3.22! (180deg=-5.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -0.428! (180deg=-1.57!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 35 HIS : no HD1:sc= 0.517 K(o=0.52,f=-9.8!) USER MOD Single : A 36 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.4) USER MOD Single : A 37 SER OG : rot 87:sc= 0.83 USER MOD Single : A 38 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.8!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 153:sc= -0.244 (180deg=-1.48!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 48:sc= 0.931 USER MOD Single : A 61 GLN : amide:sc= -0.451 K(o=-0.45,f=-2.6) USER MOD Single : A 63 SER OG : rot -28:sc= 0.389 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0969 K(o=-0.097,f=-2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00129 USER MOD Single : A 76 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.21) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N VAL A 3 -1.697 -17.238 14.368 1.00 0.00 N ATOM 28 CA VAL A 3 -1.241 -17.722 15.675 1.00 0.00 C ATOM 29 C VAL A 3 -0.408 -16.661 16.380 1.00 0.00 C ATOM 30 O VAL A 3 0.526 -16.103 15.804 1.00 0.00 O ATOM 31 CB VAL A 3 -0.407 -18.990 15.497 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.310 -20.129 15.032 1.00 0.00 C ATOM 33 CG2 VAL A 3 0.679 -18.753 14.446 1.00 0.00 C ATOM 0 HA VAL A 3 -2.117 -17.943 16.285 1.00 0.00 H new ATOM 0 HB VAL A 3 0.058 -19.249 16.448 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.717 -21.035 14.904 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.086 -20.305 15.777 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.773 -19.862 14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.271 -19.660 14.323 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.214 -18.491 13.495 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.327 -17.938 14.770 1.00 0.00 H new ATOM 43 N TRP A 4 -0.751 -16.390 17.636 1.00 0.00 N ATOM 44 CA TRP A 4 -0.028 -15.400 18.429 1.00 0.00 C ATOM 45 C TRP A 4 0.421 -16.007 19.753 1.00 0.00 C ATOM 46 O TRP A 4 -0.380 -16.187 20.669 1.00 0.00 O ATOM 47 CB TRP A 4 -0.936 -14.201 18.687 1.00 0.00 C ATOM 48 CG TRP A 4 -1.260 -13.545 17.382 1.00 0.00 C ATOM 49 CD1 TRP A 4 -2.264 -13.919 16.556 1.00 0.00 C ATOM 50 CD2 TRP A 4 -0.600 -12.416 16.738 1.00 0.00 C ATOM 51 NE1 TRP A 4 -2.262 -13.094 15.445 1.00 0.00 N ATOM 52 CE2 TRP A 4 -1.256 -12.151 15.511 1.00 0.00 C ATOM 53 CE3 TRP A 4 0.493 -11.605 17.092 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -0.844 -11.118 14.669 1.00 0.00 C ATOM 55 CZ3 TRP A 4 0.911 -10.564 16.247 1.00 0.00 C ATOM 56 CH2 TRP A 4 0.244 -10.322 15.037 1.00 0.00 C ATOM 0 H TRP A 4 -1.524 -16.841 18.126 1.00 0.00 H new ATOM 0 HA TRP A 4 0.856 -15.077 17.879 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.851 -14.522 19.184 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.443 -13.492 19.353 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.955 -14.730 16.735 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.923 -13.173 14.672 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.015 -11.784 18.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.362 -10.935 13.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 1.751 -9.946 16.530 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.571 -9.521 14.390 1.00 0.00 H new ATOM 67 N THR A 5 1.709 -16.296 19.853 1.00 0.00 N ATOM 68 CA THR A 5 2.277 -16.857 21.070 1.00 0.00 C ATOM 69 C THR A 5 3.779 -16.575 21.127 1.00 0.00 C ATOM 70 O THR A 5 4.567 -17.446 21.489 1.00 0.00 O ATOM 71 CB THR A 5 2.029 -18.371 21.125 1.00 0.00 C ATOM 72 OG1 THR A 5 2.456 -18.960 19.908 1.00 0.00 O ATOM 73 CG2 THR A 5 0.538 -18.655 21.332 1.00 0.00 C ATOM 0 H THR A 5 2.384 -16.151 19.102 1.00 0.00 H new ATOM 0 HA THR A 5 1.793 -16.389 21.927 1.00 0.00 H new ATOM 0 HB THR A 5 2.590 -18.794 21.958 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.301 -19.927 19.940 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.375 -19.732 21.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.209 -18.205 22.269 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.032 -18.230 20.505 1.00 0.00 H new ATOM 81 N PRO A 6 4.180 -15.370 20.793 1.00 0.00 N ATOM 82 CA PRO A 6 5.616 -14.952 20.816 1.00 0.00 C ATOM 83 C PRO A 6 6.149 -14.869 22.246 1.00 0.00 C ATOM 84 O PRO A 6 5.427 -15.151 23.202 1.00 0.00 O ATOM 85 CB PRO A 6 5.599 -13.565 20.152 1.00 0.00 C ATOM 86 CG PRO A 6 4.227 -13.044 20.411 1.00 0.00 C ATOM 87 CD PRO A 6 3.311 -14.262 20.347 1.00 0.00 C ATOM 0 HA PRO A 6 6.268 -15.661 20.305 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.359 -12.911 20.579 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.802 -13.634 19.083 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.168 -12.560 21.386 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.943 -12.299 19.667 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.443 -14.146 20.996 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.934 -14.428 19.338 1.00 0.00 H new ATOM 95 N GLU A 7 7.412 -14.473 22.381 1.00 0.00 N ATOM 96 CA GLU A 7 8.033 -14.344 23.698 1.00 0.00 C ATOM 97 C GLU A 7 7.074 -13.681 24.684 1.00 0.00 C ATOM 98 O GLU A 7 7.266 -13.758 25.897 1.00 0.00 O ATOM 99 CB GLU A 7 9.315 -13.514 23.594 1.00 0.00 C ATOM 100 CG GLU A 7 10.371 -14.300 22.816 1.00 0.00 C ATOM 101 CD GLU A 7 11.620 -13.448 22.623 1.00 0.00 C ATOM 102 OE1 GLU A 7 11.661 -12.359 23.169 1.00 0.00 O ATOM 103 OE2 GLU A 7 12.518 -13.899 21.932 1.00 0.00 O ATOM 0 H GLU A 7 8.023 -14.237 21.600 1.00 0.00 H new ATOM 0 HA GLU A 7 8.275 -15.343 24.061 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.109 -12.568 23.093 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.686 -13.273 24.590 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.624 -15.214 23.353 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.972 -14.600 21.847 1.00 0.00 H new ATOM 110 N VAL A 8 6.045 -13.029 24.153 1.00 0.00 N ATOM 111 CA VAL A 8 5.063 -12.358 24.994 1.00 0.00 C ATOM 112 C VAL A 8 4.403 -13.364 25.925 1.00 0.00 C ATOM 113 O VAL A 8 4.221 -13.095 27.110 1.00 0.00 O ATOM 114 CB VAL A 8 3.988 -11.703 24.127 1.00 0.00 C ATOM 115 CG1 VAL A 8 2.990 -10.959 25.019 1.00 0.00 C ATOM 116 CG2 VAL A 8 4.640 -10.720 23.152 1.00 0.00 C ATOM 0 H VAL A 8 5.871 -12.952 23.151 1.00 0.00 H new ATOM 0 HA VAL A 8 5.573 -11.594 25.581 1.00 0.00 H new ATOM 0 HB VAL A 8 3.462 -12.473 23.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.225 -10.493 24.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.521 -11.663 25.706 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.513 -10.191 25.588 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.871 -10.255 22.535 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.171 -9.950 23.712 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.343 -11.254 22.513 1.00 0.00 H new ATOM 126 N LEU A 9 4.046 -14.527 25.388 1.00 0.00 N ATOM 127 CA LEU A 9 3.404 -15.552 26.201 1.00 0.00 C ATOM 128 C LEU A 9 4.317 -15.933 27.357 1.00 0.00 C ATOM 129 O LEU A 9 3.889 -15.978 28.510 1.00 0.00 O ATOM 130 CB LEU A 9 3.117 -16.794 25.349 1.00 0.00 C ATOM 131 CG LEU A 9 2.444 -17.885 26.198 1.00 0.00 C ATOM 132 CD1 LEU A 9 1.119 -17.366 26.785 1.00 0.00 C ATOM 133 CD2 LEU A 9 2.179 -19.114 25.315 1.00 0.00 C ATOM 0 H LEU A 9 4.188 -14.780 24.410 1.00 0.00 H new ATOM 0 HA LEU A 9 2.465 -15.159 26.590 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.472 -16.527 24.512 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.047 -17.175 24.926 1.00 0.00 H new ATOM 0 HG LEU A 9 3.103 -18.158 27.023 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.654 -18.150 27.383 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.315 -16.497 27.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.448 -17.083 25.974 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.702 -19.893 25.909 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.524 -18.835 24.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.123 -19.488 24.918 1.00 0.00 H new ATOM 145 N LYS A 10 5.581 -16.188 27.047 1.00 0.00 N ATOM 146 CA LYS A 10 6.545 -16.540 28.078 1.00 0.00 C ATOM 147 C LYS A 10 6.779 -15.358 29.009 1.00 0.00 C ATOM 148 O LYS A 10 6.880 -15.524 30.219 1.00 0.00 O ATOM 149 CB LYS A 10 7.866 -16.982 27.449 1.00 0.00 C ATOM 150 CG LYS A 10 7.695 -18.354 26.816 1.00 0.00 C ATOM 151 CD LYS A 10 9.018 -18.773 26.188 1.00 0.00 C ATOM 152 CE LYS A 10 8.882 -20.191 25.659 1.00 0.00 C ATOM 153 NZ LYS A 10 10.166 -20.622 25.038 1.00 0.00 N ATOM 0 H LYS A 10 5.959 -16.158 26.100 1.00 0.00 H new ATOM 0 HA LYS A 10 6.141 -17.370 28.657 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.182 -16.260 26.696 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.648 -17.015 28.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.387 -19.081 27.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.910 -18.326 26.060 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.284 -18.092 25.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.819 -18.721 26.925 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.614 -20.868 26.470 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.078 -20.240 24.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.069 -21.593 24.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.403 -19.983 24.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.923 -20.592 25.750 1.00 0.00 H new ATOM 167 N ALA A 11 6.865 -14.165 28.432 1.00 0.00 N ATOM 168 CA ALA A 11 7.086 -12.956 29.216 1.00 0.00 C ATOM 169 C ALA A 11 5.919 -12.716 30.168 1.00 0.00 C ATOM 170 O ALA A 11 6.101 -12.214 31.275 1.00 0.00 O ATOM 171 CB ALA A 11 7.246 -11.751 28.285 1.00 0.00 C ATOM 0 H ALA A 11 6.785 -14.009 27.427 1.00 0.00 H new ATOM 0 HA ALA A 11 7.997 -13.085 29.801 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.411 -10.852 28.879 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.099 -11.912 27.625 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.343 -11.631 27.687 1.00 0.00 H new ATOM 177 N ARG A 12 4.720 -13.075 29.727 1.00 0.00 N ATOM 178 CA ARG A 12 3.529 -12.897 30.548 1.00 0.00 C ATOM 179 C ARG A 12 3.627 -13.727 31.825 1.00 0.00 C ATOM 180 O ARG A 12 3.281 -13.258 32.909 1.00 0.00 O ATOM 181 CB ARG A 12 2.282 -13.314 29.749 1.00 0.00 C ATOM 182 CG ARG A 12 1.894 -12.218 28.740 1.00 0.00 C ATOM 183 CD ARG A 12 1.022 -11.153 29.416 1.00 0.00 C ATOM 184 NE ARG A 12 0.562 -10.186 28.425 1.00 0.00 N ATOM 185 CZ ARG A 12 1.280 -9.109 28.123 1.00 0.00 C ATOM 186 NH1 ARG A 12 2.436 -8.910 28.696 1.00 0.00 N ATOM 187 NH2 ARG A 12 0.829 -8.256 27.245 1.00 0.00 N ATOM 0 H ARG A 12 4.547 -13.489 28.811 1.00 0.00 H new ATOM 0 HA ARG A 12 3.449 -11.846 30.824 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.476 -14.248 29.222 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.452 -13.499 30.431 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.793 -11.756 28.332 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.355 -12.660 27.902 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.167 -11.624 29.901 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.591 -10.646 30.195 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.330 -10.340 27.954 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.790 -9.582 29.377 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.985 -8.083 28.463 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.071 -8.417 26.793 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.377 -7.428 27.010 1.00 0.00 H new ATOM 201 N ALA A 13 4.100 -14.962 31.689 1.00 0.00 N ATOM 202 CA ALA A 13 4.241 -15.850 32.840 1.00 0.00 C ATOM 203 C ALA A 13 5.592 -15.636 33.513 1.00 0.00 C ATOM 204 O ALA A 13 5.694 -15.610 34.740 1.00 0.00 O ATOM 205 CB ALA A 13 4.122 -17.304 32.384 1.00 0.00 C ATOM 0 H ALA A 13 4.391 -15.369 30.800 1.00 0.00 H new ATOM 0 HA ALA A 13 3.451 -15.625 33.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.228 -17.965 33.244 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.147 -17.462 31.922 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.906 -17.523 31.660 1.00 0.00 H new ATOM 211 N SER A 14 6.627 -15.486 32.696 1.00 0.00 N ATOM 212 CA SER A 14 7.981 -15.274 33.197 1.00 0.00 C ATOM 213 C SER A 14 8.237 -13.793 33.436 1.00 0.00 C ATOM 214 O SER A 14 9.363 -13.392 33.719 1.00 0.00 O ATOM 215 CB SER A 14 9.003 -15.805 32.191 1.00 0.00 C ATOM 216 OG SER A 14 8.729 -17.172 31.918 1.00 0.00 O ATOM 0 H SER A 14 6.555 -15.507 31.679 1.00 0.00 H new ATOM 0 HA SER A 14 8.083 -15.811 34.140 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.960 -15.223 31.270 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.012 -15.697 32.589 1.00 0.00 H new ATOM 0 HG SER A 14 8.012 -17.235 31.253 1.00 0.00 H new ATOM 222 N VAL A 15 7.180 -12.990 33.307 1.00 0.00 N ATOM 223 CA VAL A 15 7.281 -11.544 33.500 1.00 0.00 C ATOM 224 C VAL A 15 8.116 -10.907 32.392 1.00 0.00 C ATOM 225 O VAL A 15 7.782 -9.835 31.887 1.00 0.00 O ATOM 226 CB VAL A 15 7.903 -11.228 34.865 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.693 -9.750 35.193 1.00 0.00 C ATOM 228 CG2 VAL A 15 7.236 -12.092 35.939 1.00 0.00 C ATOM 0 H VAL A 15 6.244 -13.317 33.069 1.00 0.00 H new ATOM 0 HA VAL A 15 6.274 -11.128 33.463 1.00 0.00 H new ATOM 0 HB VAL A 15 8.971 -11.443 34.837 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.136 -9.526 36.164 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.168 -9.136 34.428 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.625 -9.532 35.222 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.677 -11.869 36.911 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.168 -11.877 35.967 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.388 -13.146 35.705 1.00 0.00 H new ATOM 238 N ILE A 16 9.205 -11.573 32.016 1.00 0.00 N ATOM 239 CA ILE A 16 10.090 -11.070 30.968 1.00 0.00 C ATOM 240 C ILE A 16 10.584 -12.218 30.092 1.00 0.00 C ATOM 241 O ILE A 16 10.974 -13.271 30.596 1.00 0.00 O ATOM 242 CB ILE A 16 11.278 -10.355 31.607 1.00 0.00 C ATOM 243 CG1 ILE A 16 12.133 -9.713 30.515 1.00 0.00 C ATOM 244 CG2 ILE A 16 12.122 -11.363 32.393 1.00 0.00 C ATOM 245 CD1 ILE A 16 13.138 -8.756 31.155 1.00 0.00 C ATOM 0 H ILE A 16 9.496 -12.463 32.421 1.00 0.00 H new ATOM 0 HA ILE A 16 9.537 -10.370 30.342 1.00 0.00 H new ATOM 0 HB ILE A 16 10.915 -9.583 32.285 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.657 -10.483 29.948 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.499 -9.175 29.811 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.970 -10.851 32.848 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.512 -11.819 33.173 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.486 -12.137 31.718 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.749 -8.297 30.378 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.603 -7.980 31.702 1.00 0.00 H new ATOM 0 HD13 ILE A 16 13.779 -9.308 31.842 1.00 0.00 H new ATOM 257 N GLY A 17 10.564 -12.007 28.780 1.00 0.00 N ATOM 258 CA GLY A 17 11.014 -13.034 27.848 1.00 0.00 C ATOM 259 C GLY A 17 12.499 -13.322 28.034 1.00 0.00 C ATOM 260 O GLY A 17 13.302 -12.406 28.215 1.00 0.00 O ATOM 0 H GLY A 17 10.244 -11.143 28.342 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.440 -13.948 28.002 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.828 -12.709 26.824 1.00 0.00 H new ATOM 264 N LYS A 18 12.858 -14.601 27.986 1.00 0.00 N ATOM 265 CA LYS A 18 14.251 -14.998 28.149 1.00 0.00 C ATOM 266 C LYS A 18 14.421 -16.489 27.863 1.00 0.00 C ATOM 267 O LYS A 18 14.979 -17.227 28.675 1.00 0.00 O ATOM 268 CB LYS A 18 14.720 -14.690 29.574 1.00 0.00 C ATOM 269 CG LYS A 18 16.250 -14.715 29.628 1.00 0.00 C ATOM 270 CD LYS A 18 16.713 -14.778 31.085 1.00 0.00 C ATOM 271 CE LYS A 18 16.129 -13.597 31.869 1.00 0.00 C ATOM 272 NZ LYS A 18 14.721 -13.902 32.248 1.00 0.00 N ATOM 0 H LYS A 18 12.209 -15.374 27.837 1.00 0.00 H new ATOM 0 HA LYS A 18 14.856 -14.433 27.439 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.351 -13.713 29.886 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.310 -15.422 30.269 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.629 -15.577 29.078 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.655 -13.826 29.146 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.396 -15.718 31.536 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.802 -14.754 31.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.725 -13.409 32.762 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.166 -12.691 31.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.565 -13.641 33.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.073 -13.360 31.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.541 -14.919 32.125 1.00 0.00 H new ATOM 286 N PRO A 19 13.951 -16.938 26.727 1.00 0.00 N ATOM 287 CA PRO A 19 14.052 -18.371 26.320 1.00 0.00 C ATOM 288 C PRO A 19 15.504 -18.804 26.125 1.00 0.00 C ATOM 289 O PRO A 19 16.338 -18.026 25.664 1.00 0.00 O ATOM 290 CB PRO A 19 13.253 -18.437 25.008 1.00 0.00 C ATOM 291 CG PRO A 19 13.275 -17.042 24.478 1.00 0.00 C ATOM 292 CD PRO A 19 13.278 -16.127 25.702 1.00 0.00 C ATOM 0 HA PRO A 19 13.663 -19.050 27.079 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.706 -19.135 24.304 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.233 -18.778 25.183 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.158 -16.872 23.862 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.406 -16.850 23.849 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.814 -15.198 25.508 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.267 -15.855 26.004 1.00 0.00 H new ATOM 300 N ILE A 20 15.796 -20.051 26.487 1.00 0.00 N ATOM 301 CA ILE A 20 17.147 -20.588 26.357 1.00 0.00 C ATOM 302 C ILE A 20 17.350 -21.177 24.965 1.00 0.00 C ATOM 303 O ILE A 20 16.545 -21.987 24.503 1.00 0.00 O ATOM 304 CB ILE A 20 17.391 -21.673 27.422 1.00 0.00 C ATOM 305 CG1 ILE A 20 16.785 -21.229 28.789 1.00 0.00 C ATOM 306 CG2 ILE A 20 18.906 -21.900 27.565 1.00 0.00 C ATOM 307 CD1 ILE A 20 15.457 -21.966 29.045 1.00 0.00 C ATOM 0 H ILE A 20 15.116 -20.707 26.872 1.00 0.00 H new ATOM 0 HA ILE A 20 17.859 -19.776 26.505 1.00 0.00 H new ATOM 0 HB ILE A 20 16.908 -22.601 27.116 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.489 -21.442 29.594 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.618 -20.152 28.789 1.00 0.00 H new ATOM 0 HG21 ILE A 20 19.090 -22.667 28.317 1.00 0.00 H new ATOM 0 HG22 ILE A 20 19.317 -22.224 26.609 1.00 0.00 H new ATOM 0 HG23 ILE A 20 19.386 -20.970 27.870 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.043 -21.648 30.002 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.751 -21.731 28.248 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.636 -23.041 29.066 1.00 0.00 H new ATOM 319 N GLY A 21 18.422 -20.769 24.299 1.00 0.00 N ATOM 320 CA GLY A 21 18.701 -21.275 22.962 1.00 0.00 C ATOM 321 C GLY A 21 18.828 -22.794 22.982 1.00 0.00 C ATOM 322 O GLY A 21 19.798 -23.336 23.510 1.00 0.00 O ATOM 0 H GLY A 21 19.103 -20.099 24.656 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.903 -20.980 22.281 1.00 0.00 H new ATOM 0 HA3 GLY A 21 19.622 -20.832 22.584 1.00 0.00 H new ATOM 326 N GLU A 22 17.842 -23.471 22.403 1.00 0.00 N ATOM 327 CA GLU A 22 17.847 -24.929 22.358 1.00 0.00 C ATOM 328 C GLU A 22 16.678 -25.434 21.519 1.00 0.00 C ATOM 329 O GLU A 22 15.761 -24.679 21.195 1.00 0.00 O ATOM 330 CB GLU A 22 17.751 -25.498 23.784 1.00 0.00 C ATOM 331 CG GLU A 22 17.943 -27.019 23.760 1.00 0.00 C ATOM 332 CD GLU A 22 18.157 -27.543 25.176 1.00 0.00 C ATOM 333 OE1 GLU A 22 17.888 -26.803 26.108 1.00 0.00 O ATOM 334 OE2 GLU A 22 18.593 -28.676 25.309 1.00 0.00 O ATOM 0 H GLU A 22 17.033 -23.036 21.960 1.00 0.00 H new ATOM 0 HA GLU A 22 18.779 -25.263 21.902 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.509 -25.038 24.419 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.781 -25.253 24.217 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.070 -27.497 23.315 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.799 -27.275 23.136 1.00 0.00 H new ATOM 341 N SER A 23 16.710 -26.717 21.180 1.00 0.00 N ATOM 342 CA SER A 23 15.645 -27.316 20.391 1.00 0.00 C ATOM 343 C SER A 23 14.286 -26.936 20.969 1.00 0.00 C ATOM 344 O SER A 23 13.297 -26.855 20.245 1.00 0.00 O ATOM 345 CB SER A 23 15.794 -28.839 20.384 1.00 0.00 C ATOM 346 OG SER A 23 17.074 -29.184 19.869 1.00 0.00 O ATOM 0 H SER A 23 17.459 -27.359 21.439 1.00 0.00 H new ATOM 0 HA SER A 23 15.714 -26.943 19.369 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.678 -29.232 21.394 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.011 -29.290 19.775 1.00 0.00 H new ATOM 0 HG SER A 23 17.173 -30.159 19.865 1.00 0.00 H new ATOM 352 N TYR A 24 14.243 -26.693 22.276 1.00 0.00 N ATOM 353 CA TYR A 24 12.994 -26.314 22.924 1.00 0.00 C ATOM 354 C TYR A 24 12.504 -24.973 22.387 1.00 0.00 C ATOM 355 O TYR A 24 11.310 -24.780 22.172 1.00 0.00 O ATOM 356 CB TYR A 24 13.187 -26.229 24.439 1.00 0.00 C ATOM 357 CG TYR A 24 13.392 -27.619 24.993 1.00 0.00 C ATOM 358 CD1 TYR A 24 12.295 -28.472 25.163 1.00 0.00 C ATOM 359 CD2 TYR A 24 14.678 -28.056 25.339 1.00 0.00 C ATOM 360 CE1 TYR A 24 12.482 -29.762 25.673 1.00 0.00 C ATOM 361 CE2 TYR A 24 14.864 -29.345 25.851 1.00 0.00 C ATOM 362 CZ TYR A 24 13.766 -30.198 26.020 1.00 0.00 C ATOM 363 OH TYR A 24 13.952 -31.468 26.526 1.00 0.00 O ATOM 0 H TYR A 24 15.048 -26.751 22.899 1.00 0.00 H new ATOM 0 HA TYR A 24 12.246 -27.076 22.705 1.00 0.00 H new ATOM 0 HB2 TYR A 24 14.046 -25.601 24.673 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.317 -25.764 24.903 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.303 -28.134 24.900 1.00 0.00 H new ATOM 0 HD2 TYR A 24 15.525 -27.398 25.211 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.636 -30.421 25.799 1.00 0.00 H new ATOM 0 HE2 TYR A 24 15.855 -29.682 26.116 1.00 0.00 H new ATOM 0 HH TYR A 24 14.903 -31.609 26.713 1.00 0.00 H new ATOM 373 N LYS A 25 13.437 -24.052 22.169 1.00 0.00 N ATOM 374 CA LYS A 25 13.096 -22.731 21.651 1.00 0.00 C ATOM 375 C LYS A 25 12.624 -22.834 20.201 1.00 0.00 C ATOM 376 O LYS A 25 12.179 -21.856 19.605 1.00 0.00 O ATOM 377 CB LYS A 25 14.319 -21.805 21.753 1.00 0.00 C ATOM 378 CG LYS A 25 13.938 -20.386 21.327 1.00 0.00 C ATOM 379 CD LYS A 25 15.107 -19.433 21.584 1.00 0.00 C ATOM 380 CE LYS A 25 14.701 -18.017 21.173 1.00 0.00 C ATOM 381 NZ LYS A 25 15.825 -17.079 21.448 1.00 0.00 N ATOM 0 H LYS A 25 14.432 -24.195 22.342 1.00 0.00 H new ATOM 0 HA LYS A 25 12.284 -22.313 22.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.696 -21.798 22.776 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.123 -22.180 21.120 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.673 -20.373 20.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.059 -20.055 21.880 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.383 -19.453 22.638 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.983 -19.752 21.019 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.445 -17.994 20.114 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.812 -17.708 21.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.550 -16.116 21.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.049 -17.094 22.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.662 -17.371 20.904 1.00 0.00 H new ATOM 395 N ARG A 26 12.708 -24.030 19.641 1.00 0.00 N ATOM 396 CA ARG A 26 12.288 -24.242 18.267 1.00 0.00 C ATOM 397 C ARG A 26 10.829 -23.862 18.097 1.00 0.00 C ATOM 398 O ARG A 26 10.454 -23.232 17.108 1.00 0.00 O ATOM 399 CB ARG A 26 12.485 -25.707 17.889 1.00 0.00 C ATOM 400 CG ARG A 26 12.126 -25.912 16.414 1.00 0.00 C ATOM 401 CD ARG A 26 12.373 -27.370 16.022 1.00 0.00 C ATOM 402 NE ARG A 26 11.556 -28.257 16.845 1.00 0.00 N ATOM 403 CZ ARG A 26 10.289 -28.514 16.536 1.00 0.00 C ATOM 404 NH1 ARG A 26 9.752 -27.969 15.479 1.00 0.00 N ATOM 405 NH2 ARG A 26 9.584 -29.310 17.292 1.00 0.00 N ATOM 0 H ARG A 26 13.061 -24.863 20.113 1.00 0.00 H new ATOM 0 HA ARG A 26 12.893 -23.614 17.614 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.519 -26.002 18.066 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.860 -26.342 18.517 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.081 -25.652 16.244 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.725 -25.250 15.788 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.135 -27.517 14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.428 -27.614 16.147 1.00 0.00 H new ATOM 0 HE ARG A 26 11.966 -28.688 17.674 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.304 -27.346 14.890 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.780 -28.166 15.242 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.005 -29.734 18.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.612 -29.508 17.056 1.00 0.00 H new ATOM 419 N ILE A 27 10.008 -24.252 19.057 1.00 0.00 N ATOM 420 CA ILE A 27 8.594 -23.944 18.980 1.00 0.00 C ATOM 421 C ILE A 27 8.383 -22.437 19.018 1.00 0.00 C ATOM 422 O ILE A 27 7.596 -21.887 18.249 1.00 0.00 O ATOM 423 CB ILE A 27 7.844 -24.607 20.141 1.00 0.00 C ATOM 424 CG1 ILE A 27 8.219 -23.914 21.465 1.00 0.00 C ATOM 425 CG2 ILE A 27 8.220 -26.089 20.202 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.727 -24.743 22.657 1.00 0.00 C ATOM 0 H ILE A 27 10.292 -24.774 19.886 1.00 0.00 H new ATOM 0 HA ILE A 27 8.203 -24.332 18.040 1.00 0.00 H new ATOM 0 HB ILE A 27 6.769 -24.512 19.985 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.300 -23.787 21.523 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.778 -22.918 21.499 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.689 -26.565 21.026 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.945 -26.573 19.265 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.294 -26.186 20.358 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.999 -24.242 23.586 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.643 -24.848 22.605 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.189 -25.730 22.629 1.00 0.00 H new ATOM 438 N LEU A 28 9.084 -21.777 19.929 1.00 0.00 N ATOM 439 CA LEU A 28 8.957 -20.333 20.068 1.00 0.00 C ATOM 440 C LEU A 28 9.454 -19.638 18.802 1.00 0.00 C ATOM 441 O LEU A 28 8.756 -18.811 18.218 1.00 0.00 O ATOM 442 CB LEU A 28 9.776 -19.867 21.284 1.00 0.00 C ATOM 443 CG LEU A 28 9.170 -18.587 21.890 1.00 0.00 C ATOM 444 CD1 LEU A 28 9.044 -17.512 20.805 1.00 0.00 C ATOM 445 CD2 LEU A 28 7.778 -18.887 22.504 1.00 0.00 C ATOM 0 H LEU A 28 9.740 -22.213 20.577 1.00 0.00 H new ATOM 0 HA LEU A 28 7.909 -20.074 20.217 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.800 -20.655 22.036 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.807 -19.681 20.984 1.00 0.00 H new ATOM 0 HG LEU A 28 9.827 -18.225 22.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.615 -16.608 21.237 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.030 -17.288 20.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.397 -17.875 20.007 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.363 -17.973 22.928 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.111 -19.262 21.728 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.880 -19.637 23.288 1.00 0.00 H new ATOM 457 N ALA A 29 10.664 -19.990 18.381 1.00 0.00 N ATOM 458 CA ALA A 29 11.243 -19.397 17.184 1.00 0.00 C ATOM 459 C ALA A 29 10.414 -19.758 15.964 1.00 0.00 C ATOM 460 O ALA A 29 10.315 -18.984 15.015 1.00 0.00 O ATOM 461 CB ALA A 29 12.676 -19.887 16.996 1.00 0.00 C ATOM 0 H ALA A 29 11.257 -20.677 18.847 1.00 0.00 H new ATOM 0 HA ALA A 29 11.248 -18.313 17.301 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.099 -19.437 16.098 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.274 -19.602 17.861 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.679 -20.972 16.894 1.00 0.00 H new ATOM 467 N LYS A 30 9.812 -20.935 15.998 1.00 0.00 N ATOM 468 CA LYS A 30 8.986 -21.381 14.892 1.00 0.00 C ATOM 469 C LYS A 30 7.804 -20.442 14.700 1.00 0.00 C ATOM 470 O LYS A 30 7.384 -20.184 13.573 1.00 0.00 O ATOM 471 CB LYS A 30 8.471 -22.804 15.165 1.00 0.00 C ATOM 472 CG LYS A 30 7.369 -23.196 14.144 1.00 0.00 C ATOM 473 CD LYS A 30 5.974 -23.048 14.786 1.00 0.00 C ATOM 474 CE LYS A 30 5.762 -24.104 15.888 1.00 0.00 C ATOM 475 NZ LYS A 30 5.685 -23.419 17.210 1.00 0.00 N ATOM 0 H LYS A 30 9.880 -21.594 16.774 1.00 0.00 H new ATOM 0 HA LYS A 30 9.590 -21.380 13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.297 -23.512 15.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.073 -22.864 16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.440 -22.563 13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.518 -24.224 13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.868 -22.049 15.209 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.204 -23.154 14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.846 -24.665 15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.582 -24.822 15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.948 -24.087 17.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.339 -22.610 17.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.714 -23.081 17.370 1.00 0.00 H new ATOM 489 N LEU A 31 7.251 -19.959 15.804 1.00 0.00 N ATOM 490 CA LEU A 31 6.091 -19.082 15.730 1.00 0.00 C ATOM 491 C LEU A 31 6.428 -17.865 14.882 1.00 0.00 C ATOM 492 O LEU A 31 5.623 -17.427 14.065 1.00 0.00 O ATOM 493 CB LEU A 31 5.680 -18.647 17.152 1.00 0.00 C ATOM 494 CG LEU A 31 4.162 -18.386 17.229 1.00 0.00 C ATOM 495 CD1 LEU A 31 3.748 -17.376 16.150 1.00 0.00 C ATOM 496 CD2 LEU A 31 3.379 -19.710 17.043 1.00 0.00 C ATOM 0 H LEU A 31 7.581 -20.156 16.749 1.00 0.00 H new ATOM 0 HA LEU A 31 5.258 -19.614 15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.957 -19.421 17.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.223 -17.744 17.432 1.00 0.00 H new ATOM 0 HG LEU A 31 3.927 -17.975 18.211 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.674 -17.197 16.211 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.281 -16.438 16.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.994 -17.774 15.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.309 -19.511 17.100 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.617 -20.140 16.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.659 -20.412 17.828 1.00 0.00 H new ATOM 508 N GLN A 32 7.623 -17.330 15.068 1.00 0.00 N ATOM 509 CA GLN A 32 8.039 -16.172 14.299 1.00 0.00 C ATOM 510 C GLN A 32 7.885 -16.447 12.805 1.00 0.00 C ATOM 511 O GLN A 32 7.429 -15.587 12.053 1.00 0.00 O ATOM 512 CB GLN A 32 9.494 -15.840 14.620 1.00 0.00 C ATOM 513 CG GLN A 32 9.594 -15.376 16.074 1.00 0.00 C ATOM 514 CD GLN A 32 11.055 -15.153 16.446 1.00 0.00 C ATOM 515 OE1 GLN A 32 11.935 -15.262 15.594 1.00 0.00 O ATOM 516 NE2 GLN A 32 11.365 -14.852 17.677 1.00 0.00 N ATOM 0 H GLN A 32 8.313 -17.674 15.736 1.00 0.00 H new ATOM 0 HA GLN A 32 7.408 -15.324 14.565 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.123 -16.716 14.461 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.858 -15.060 13.951 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.030 -14.453 16.210 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.151 -16.121 16.734 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.632 -14.763 18.380 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.341 -14.706 17.936 1.00 0.00 H new ATOM 525 N ARG A 33 8.258 -17.652 12.380 1.00 0.00 N ATOM 526 CA ARG A 33 8.142 -18.019 10.972 1.00 0.00 C ATOM 527 C ARG A 33 6.680 -18.054 10.537 1.00 0.00 C ATOM 528 O ARG A 33 6.322 -17.525 9.485 1.00 0.00 O ATOM 529 CB ARG A 33 8.771 -19.393 10.742 1.00 0.00 C ATOM 530 CG ARG A 33 8.694 -19.746 9.255 1.00 0.00 C ATOM 531 CD ARG A 33 9.473 -21.034 8.992 1.00 0.00 C ATOM 532 NE ARG A 33 8.879 -22.147 9.722 1.00 0.00 N ATOM 533 CZ ARG A 33 9.455 -23.344 9.729 1.00 0.00 C ATOM 534 NH1 ARG A 33 10.560 -23.541 9.063 1.00 0.00 N ATOM 535 NH2 ARG A 33 8.915 -24.324 10.399 1.00 0.00 N ATOM 0 H ARG A 33 8.638 -18.382 12.982 1.00 0.00 H new ATOM 0 HA ARG A 33 8.665 -17.268 10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.810 -19.389 11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.251 -20.147 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.654 -19.871 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.104 -18.933 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.477 -21.252 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.512 -20.906 9.295 1.00 0.00 H new ATOM 0 HE ARG A 33 8.009 -22.005 10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.982 -22.776 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.002 -24.460 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.050 -24.171 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.358 -25.243 10.404 1.00 0.00 H new ATOM 549 N ILE A 34 5.842 -18.675 11.359 1.00 0.00 N ATOM 550 CA ILE A 34 4.420 -18.769 11.056 1.00 0.00 C ATOM 551 C ILE A 34 3.787 -17.383 11.088 1.00 0.00 C ATOM 552 O ILE A 34 2.973 -17.045 10.237 1.00 0.00 O ATOM 553 CB ILE A 34 3.722 -19.678 12.071 1.00 0.00 C ATOM 554 CG1 ILE A 34 4.435 -21.038 12.131 1.00 0.00 C ATOM 555 CG2 ILE A 34 2.259 -19.877 11.663 1.00 0.00 C ATOM 556 CD1 ILE A 34 4.509 -21.675 10.736 1.00 0.00 C ATOM 0 H ILE A 34 6.121 -19.118 12.235 1.00 0.00 H new ATOM 0 HA ILE A 34 4.303 -19.194 10.059 1.00 0.00 H new ATOM 0 HB ILE A 34 3.761 -19.212 13.056 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.441 -20.909 12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.904 -21.703 12.812 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.764 -20.524 12.387 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.754 -18.911 11.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.216 -20.337 10.676 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.018 -22.637 10.802 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.501 -21.823 10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.062 -21.018 10.065 1.00 0.00 H new ATOM 568 N HIS A 35 4.162 -16.589 12.082 1.00 0.00 N ATOM 569 CA HIS A 35 3.622 -15.244 12.213 1.00 0.00 C ATOM 570 C HIS A 35 3.690 -14.510 10.876 1.00 0.00 C ATOM 571 O HIS A 35 2.665 -14.126 10.315 1.00 0.00 O ATOM 572 CB HIS A 35 4.418 -14.469 13.263 1.00 0.00 C ATOM 573 CG HIS A 35 3.855 -13.083 13.398 1.00 0.00 C ATOM 574 ND1 HIS A 35 4.165 -12.069 12.505 1.00 0.00 N ATOM 575 CD2 HIS A 35 3.002 -12.525 14.318 1.00 0.00 C ATOM 576 CE1 HIS A 35 3.509 -10.964 12.903 1.00 0.00 C ATOM 577 NE2 HIS A 35 2.786 -11.187 14.003 1.00 0.00 N ATOM 0 H HIS A 35 4.833 -16.851 12.804 1.00 0.00 H new ATOM 0 HA HIS A 35 2.580 -15.315 12.523 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.374 -14.985 14.222 1.00 0.00 H new ATOM 0 HB3 HIS A 35 5.468 -14.420 12.975 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.565 -13.045 15.158 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.561 -10.013 12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.201 -10.519 14.505 1.00 0.00 H new ATOM 585 N ASN A 36 4.903 -14.321 10.366 1.00 0.00 N ATOM 586 CA ASN A 36 5.085 -13.638 9.089 1.00 0.00 C ATOM 587 C ASN A 36 4.502 -14.463 7.943 1.00 0.00 C ATOM 588 O ASN A 36 3.875 -13.926 7.032 1.00 0.00 O ATOM 589 CB ASN A 36 6.572 -13.388 8.841 1.00 0.00 C ATOM 590 CG ASN A 36 6.768 -12.733 7.479 1.00 0.00 C ATOM 591 OD1 ASN A 36 5.884 -12.028 6.994 1.00 0.00 O ATOM 592 ND2 ASN A 36 7.883 -12.926 6.830 1.00 0.00 N ATOM 0 H ASN A 36 5.767 -14.628 10.812 1.00 0.00 H new ATOM 0 HA ASN A 36 4.558 -12.685 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.977 -12.747 9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.120 -14.329 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.024 -12.492 5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.614 -13.511 7.235 1.00 0.00 H new ATOM 599 N SER A 37 4.724 -15.774 7.999 1.00 0.00 N ATOM 600 CA SER A 37 4.235 -16.688 6.972 1.00 0.00 C ATOM 601 C SER A 37 2.822 -17.154 7.298 1.00 0.00 C ATOM 602 O SER A 37 2.381 -18.202 6.830 1.00 0.00 O ATOM 603 CB SER A 37 5.169 -17.892 6.855 1.00 0.00 C ATOM 604 OG SER A 37 6.513 -17.437 6.782 1.00 0.00 O ATOM 0 H SER A 37 5.243 -16.229 8.750 1.00 0.00 H new ATOM 0 HA SER A 37 4.214 -16.159 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.042 -18.551 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.921 -18.474 5.968 1.00 0.00 H new ATOM 0 HG SER A 37 6.869 -17.323 7.688 1.00 0.00 H new ATOM 610 N ASN A 38 2.124 -16.391 8.132 1.00 0.00 N ATOM 611 CA ASN A 38 0.772 -16.761 8.534 1.00 0.00 C ATOM 612 C ASN A 38 -0.041 -17.220 7.332 1.00 0.00 C ATOM 613 O ASN A 38 -0.225 -16.478 6.368 1.00 0.00 O ATOM 614 CB ASN A 38 0.072 -15.565 9.181 1.00 0.00 C ATOM 615 CG ASN A 38 -0.028 -14.419 8.179 1.00 0.00 C ATOM 616 OD1 ASN A 38 0.647 -14.431 7.151 1.00 0.00 O ATOM 617 ND2 ASN A 38 -0.836 -13.422 8.418 1.00 0.00 N ATOM 0 H ASN A 38 2.467 -15.521 8.539 1.00 0.00 H new ATOM 0 HA ASN A 38 0.844 -17.580 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.924 -15.854 9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.625 -15.242 10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.908 -12.653 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.396 -13.412 9.271 1.00 0.00 H new ATOM 624 N ILE A 39 -0.519 -18.457 7.401 1.00 0.00 N ATOM 625 CA ILE A 39 -1.314 -19.027 6.320 1.00 0.00 C ATOM 626 C ILE A 39 -0.724 -18.660 4.962 1.00 0.00 C ATOM 627 O ILE A 39 -1.231 -17.767 4.282 1.00 0.00 O ATOM 628 CB ILE A 39 -2.754 -18.518 6.404 1.00 0.00 C ATOM 629 CG1 ILE A 39 -3.208 -18.515 7.857 1.00 0.00 C ATOM 630 CG2 ILE A 39 -3.674 -19.422 5.583 1.00 0.00 C ATOM 631 CD1 ILE A 39 -4.662 -18.053 7.933 1.00 0.00 C ATOM 0 H ILE A 39 -0.370 -19.083 8.192 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.304 -20.112 6.426 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.800 -17.505 6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.109 -19.514 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.573 -17.853 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.698 -19.054 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.352 -19.419 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.629 -20.438 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.989 -18.050 8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.746 -17.046 7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.290 -18.732 7.357 1.00 0.00 H new ATOM 643 N LEU A 40 0.346 -19.351 4.570 1.00 0.00 N ATOM 644 CA LEU A 40 0.997 -19.085 3.279 1.00 0.00 C ATOM 645 C LEU A 40 1.007 -20.353 2.427 1.00 0.00 C ATOM 646 O LEU A 40 1.384 -21.423 2.896 1.00 0.00 O ATOM 647 CB LEU A 40 2.441 -18.583 3.514 1.00 0.00 C ATOM 648 CG LEU A 40 2.789 -17.458 2.527 1.00 0.00 C ATOM 649 CD1 LEU A 40 4.205 -16.951 2.808 1.00 0.00 C ATOM 650 CD2 LEU A 40 2.715 -17.983 1.090 1.00 0.00 C ATOM 0 H LEU A 40 0.780 -20.093 5.119 1.00 0.00 H new ATOM 0 HA LEU A 40 0.438 -18.314 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.544 -18.222 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.143 -19.409 3.395 1.00 0.00 H new ATOM 0 HG LEU A 40 2.076 -16.643 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.451 -16.153 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.259 -16.569 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.915 -17.770 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.963 -17.180 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.423 -18.802 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.706 -18.341 0.885 1.00 0.00 H new ATOM 662 N ASP A 41 0.590 -20.221 1.174 1.00 0.00 N ATOM 663 CA ASP A 41 0.552 -21.360 0.262 1.00 0.00 C ATOM 664 C ASP A 41 1.773 -22.256 0.445 1.00 0.00 C ATOM 665 O ASP A 41 1.707 -23.466 0.228 1.00 0.00 O ATOM 666 CB ASP A 41 0.492 -20.860 -1.182 1.00 0.00 C ATOM 667 CG ASP A 41 -0.861 -20.209 -1.453 1.00 0.00 C ATOM 668 OD1 ASP A 41 -1.759 -20.396 -0.648 1.00 0.00 O ATOM 669 OD2 ASP A 41 -0.979 -19.532 -2.461 1.00 0.00 O ATOM 0 H ASP A 41 0.274 -19.341 0.766 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.338 -21.948 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.293 -20.142 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.650 -21.691 -1.870 1.00 0.00 H new ATOM 674 N GLU A 42 2.888 -21.653 0.844 1.00 0.00 N ATOM 675 CA GLU A 42 4.122 -22.399 1.052 1.00 0.00 C ATOM 676 C GLU A 42 4.150 -23.024 2.446 1.00 0.00 C ATOM 677 O GLU A 42 4.309 -24.236 2.590 1.00 0.00 O ATOM 678 CB GLU A 42 5.319 -21.461 0.891 1.00 0.00 C ATOM 679 CG GLU A 42 6.618 -22.272 0.873 1.00 0.00 C ATOM 680 CD GLU A 42 6.716 -23.065 -0.425 1.00 0.00 C ATOM 681 OE1 GLU A 42 5.884 -22.847 -1.291 1.00 0.00 O ATOM 682 OE2 GLU A 42 7.617 -23.878 -0.535 1.00 0.00 O ATOM 0 H GLU A 42 2.962 -20.653 1.029 1.00 0.00 H new ATOM 0 HA GLU A 42 4.173 -23.197 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.223 -20.891 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.341 -20.741 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.475 -21.605 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.646 -22.950 1.726 1.00 0.00 H new ATOM 689 N ARG A 43 4.005 -22.185 3.468 1.00 0.00 N ATOM 690 CA ARG A 43 4.024 -22.659 4.850 1.00 0.00 C ATOM 691 C ARG A 43 2.808 -23.539 5.132 1.00 0.00 C ATOM 692 O ARG A 43 2.793 -24.302 6.098 1.00 0.00 O ATOM 693 CB ARG A 43 4.050 -21.460 5.818 1.00 0.00 C ATOM 694 CG ARG A 43 4.647 -21.881 7.178 1.00 0.00 C ATOM 695 CD ARG A 43 6.151 -21.586 7.204 1.00 0.00 C ATOM 696 NE ARG A 43 6.832 -22.355 6.164 1.00 0.00 N ATOM 697 CZ ARG A 43 7.929 -21.896 5.559 1.00 0.00 C ATOM 698 NH1 ARG A 43 8.411 -20.723 5.870 1.00 0.00 N ATOM 699 NH2 ARG A 43 8.522 -22.620 4.648 1.00 0.00 N ATOM 0 H ARG A 43 3.874 -21.179 3.367 1.00 0.00 H new ATOM 0 HA ARG A 43 4.923 -23.256 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.641 -20.651 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.040 -21.077 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.149 -21.344 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.473 -22.944 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.323 -20.521 7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.562 -21.838 8.182 1.00 0.00 H new ATOM 0 HE ARG A 43 6.459 -23.265 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.949 -20.153 6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.250 -20.377 5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.146 -23.535 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.361 -22.270 4.185 1.00 0.00 H new ATOM 713 N GLN A 44 1.795 -23.427 4.281 1.00 0.00 N ATOM 714 CA GLN A 44 0.582 -24.219 4.446 1.00 0.00 C ATOM 715 C GLN A 44 0.933 -25.701 4.567 1.00 0.00 C ATOM 716 O GLN A 44 0.313 -26.432 5.338 1.00 0.00 O ATOM 717 CB GLN A 44 -0.353 -24.000 3.241 1.00 0.00 C ATOM 718 CG GLN A 44 -1.271 -22.798 3.489 1.00 0.00 C ATOM 719 CD GLN A 44 -2.315 -23.161 4.533 1.00 0.00 C ATOM 720 OE1 GLN A 44 -2.492 -22.380 5.560 1.00 0.00 O flip ATOM 721 NE2 GLN A 44 -2.984 -24.187 4.412 1.00 0.00 N flip ATOM 0 H GLN A 44 1.788 -22.801 3.476 1.00 0.00 H new ATOM 0 HA GLN A 44 0.074 -23.901 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.237 -23.835 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.952 -24.894 3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.685 -21.944 3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.758 -22.502 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.842 -24.796 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.680 -24.428 5.118 1.00 0.00 H new ATOM 730 N GLY A 45 1.928 -26.139 3.804 1.00 0.00 N ATOM 731 CA GLY A 45 2.340 -27.532 3.849 1.00 0.00 C ATOM 732 C GLY A 45 2.844 -27.877 5.235 1.00 0.00 C ATOM 733 O GLY A 45 2.537 -28.939 5.779 1.00 0.00 O ATOM 0 H GLY A 45 2.457 -25.556 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.501 -28.177 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.123 -27.712 3.113 1.00 0.00 H new ATOM 737 N LEU A 46 3.619 -26.965 5.804 1.00 0.00 N ATOM 738 CA LEU A 46 4.161 -27.176 7.131 1.00 0.00 C ATOM 739 C LEU A 46 3.040 -27.214 8.164 1.00 0.00 C ATOM 740 O LEU A 46 3.092 -27.975 9.119 1.00 0.00 O ATOM 741 CB LEU A 46 5.166 -26.064 7.506 1.00 0.00 C ATOM 742 CG LEU A 46 6.108 -26.572 8.637 1.00 0.00 C ATOM 743 CD1 LEU A 46 7.435 -27.069 8.048 1.00 0.00 C ATOM 744 CD2 LEU A 46 6.392 -25.450 9.647 1.00 0.00 C ATOM 0 H LEU A 46 3.883 -26.081 5.369 1.00 0.00 H new ATOM 0 HA LEU A 46 4.683 -28.133 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.751 -25.779 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.632 -25.173 7.836 1.00 0.00 H new ATOM 0 HG LEU A 46 5.608 -27.396 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.081 -27.420 8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.241 -27.887 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.926 -26.253 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.052 -25.824 10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.871 -24.614 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.455 -25.115 10.092 1.00 0.00 H new ATOM 756 N MET A 47 2.040 -26.364 7.975 1.00 0.00 N ATOM 757 CA MET A 47 0.923 -26.281 8.909 1.00 0.00 C ATOM 758 C MET A 47 0.459 -27.671 9.336 1.00 0.00 C ATOM 759 O MET A 47 0.020 -27.867 10.469 1.00 0.00 O ATOM 760 CB MET A 47 -0.239 -25.535 8.248 1.00 0.00 C ATOM 761 CG MET A 47 -1.244 -25.100 9.313 1.00 0.00 C ATOM 762 SD MET A 47 -2.672 -24.327 8.513 1.00 0.00 S ATOM 763 CE MET A 47 -2.075 -22.621 8.583 1.00 0.00 C ATOM 0 H MET A 47 1.978 -25.722 7.185 1.00 0.00 H new ATOM 0 HA MET A 47 1.256 -25.743 9.797 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.135 -24.664 7.710 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.727 -26.178 7.515 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.564 -25.961 9.900 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.777 -24.399 10.005 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.790 -21.965 8.087 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.964 -22.317 9.624 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.110 -22.552 8.080 1.00 0.00 H new ATOM 773 N HIS A 48 0.560 -28.631 8.425 1.00 0.00 N ATOM 774 CA HIS A 48 0.144 -29.998 8.721 1.00 0.00 C ATOM 775 C HIS A 48 1.227 -30.751 9.492 1.00 0.00 C ATOM 776 O HIS A 48 1.009 -31.181 10.626 1.00 0.00 O ATOM 777 CB HIS A 48 -0.154 -30.737 7.417 1.00 0.00 C ATOM 778 CG HIS A 48 -0.636 -32.125 7.731 1.00 0.00 C ATOM 779 ND1 HIS A 48 -1.904 -32.368 8.234 1.00 0.00 N ATOM 780 CD2 HIS A 48 -0.032 -33.352 7.623 1.00 0.00 C ATOM 781 CE1 HIS A 48 -2.023 -33.697 8.408 1.00 0.00 C ATOM 782 NE2 HIS A 48 -0.910 -34.344 8.051 1.00 0.00 N ATOM 0 H HIS A 48 0.923 -28.491 7.482 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.752 -29.954 9.340 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.909 -30.198 6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.742 -30.782 6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.971 -33.522 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.910 -34.181 8.790 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.740 -35.349 8.085 1.00 0.00 H new ATOM 790 N GLU A 49 2.391 -30.909 8.870 1.00 0.00 N ATOM 791 CA GLU A 49 3.501 -31.613 9.503 1.00 0.00 C ATOM 792 C GLU A 49 3.957 -30.878 10.756 1.00 0.00 C ATOM 793 O GLU A 49 4.565 -31.464 11.644 1.00 0.00 O ATOM 794 CB GLU A 49 4.671 -31.726 8.526 1.00 0.00 C ATOM 795 CG GLU A 49 4.290 -32.668 7.384 1.00 0.00 C ATOM 796 CD GLU A 49 5.380 -32.662 6.318 1.00 0.00 C ATOM 797 OE1 GLU A 49 6.364 -31.968 6.508 1.00 0.00 O ATOM 798 OE2 GLU A 49 5.211 -33.350 5.324 1.00 0.00 O ATOM 0 H GLU A 49 2.590 -30.561 7.932 1.00 0.00 H new ATOM 0 HA GLU A 49 3.161 -32.610 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.926 -30.742 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.555 -32.101 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.150 -33.679 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.341 -32.358 6.947 1.00 0.00 H new ATOM 805 N LEU A 50 3.659 -29.590 10.817 1.00 0.00 N ATOM 806 CA LEU A 50 4.044 -28.778 11.961 1.00 0.00 C ATOM 807 C LEU A 50 3.369 -29.283 13.228 1.00 0.00 C ATOM 808 O LEU A 50 3.975 -29.307 14.299 1.00 0.00 O ATOM 809 CB LEU A 50 3.658 -27.314 11.725 1.00 0.00 C ATOM 810 CG LEU A 50 3.983 -26.466 12.966 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.461 -26.645 13.356 1.00 0.00 C ATOM 812 CD2 LEU A 50 3.700 -24.986 12.651 1.00 0.00 C ATOM 0 H LEU A 50 3.153 -29.085 10.090 1.00 0.00 H new ATOM 0 HA LEU A 50 5.125 -28.852 12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.195 -26.925 10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.594 -27.244 11.498 1.00 0.00 H new ATOM 0 HG LEU A 50 3.361 -26.789 13.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.681 -26.040 14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.654 -27.694 13.579 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.096 -26.327 12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.928 -24.378 13.526 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.322 -24.667 11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.649 -24.864 12.388 1.00 0.00 H new ATOM 824 N MET A 51 2.109 -29.671 13.099 1.00 0.00 N ATOM 825 CA MET A 51 1.352 -30.159 14.242 1.00 0.00 C ATOM 826 C MET A 51 2.021 -31.399 14.824 1.00 0.00 C ATOM 827 O MET A 51 2.044 -31.588 16.040 1.00 0.00 O ATOM 828 CB MET A 51 -0.080 -30.496 13.813 1.00 0.00 C ATOM 829 CG MET A 51 -0.879 -29.207 13.617 1.00 0.00 C ATOM 830 SD MET A 51 -2.535 -29.619 13.010 1.00 0.00 S ATOM 831 CE MET A 51 -3.097 -30.527 14.472 1.00 0.00 C ATOM 0 H MET A 51 1.592 -29.658 12.220 1.00 0.00 H new ATOM 0 HA MET A 51 1.325 -29.381 15.004 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.066 -31.071 12.887 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.558 -31.120 14.568 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.949 -28.662 14.558 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.371 -28.554 12.907 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.183 -30.464 14.544 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.799 -31.572 14.388 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.648 -30.092 15.365 1.00 0.00 H new ATOM 841 N GLU A 52 2.564 -32.242 13.952 1.00 0.00 N ATOM 842 CA GLU A 52 3.228 -33.459 14.402 1.00 0.00 C ATOM 843 C GLU A 52 4.389 -33.124 15.334 1.00 0.00 C ATOM 844 O GLU A 52 4.509 -33.694 16.419 1.00 0.00 O ATOM 845 CB GLU A 52 3.758 -34.239 13.197 1.00 0.00 C ATOM 846 CG GLU A 52 2.584 -34.759 12.367 1.00 0.00 C ATOM 847 CD GLU A 52 3.104 -35.459 11.117 1.00 0.00 C ATOM 848 OE1 GLU A 52 4.311 -35.507 10.948 1.00 0.00 O ATOM 849 OE2 GLU A 52 2.288 -35.934 10.344 1.00 0.00 O ATOM 0 H GLU A 52 2.558 -32.107 12.941 1.00 0.00 H new ATOM 0 HA GLU A 52 2.502 -34.066 14.943 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.393 -33.597 12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.376 -35.072 13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.986 -35.451 12.960 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.931 -33.933 12.087 1.00 0.00 H new ATOM 856 N LEU A 53 5.240 -32.194 14.910 1.00 0.00 N ATOM 857 CA LEU A 53 6.383 -31.793 15.723 1.00 0.00 C ATOM 858 C LEU A 53 5.912 -31.170 17.036 1.00 0.00 C ATOM 859 O LEU A 53 6.461 -31.459 18.098 1.00 0.00 O ATOM 860 CB LEU A 53 7.250 -30.786 14.946 1.00 0.00 C ATOM 861 CG LEU A 53 8.212 -31.531 14.013 1.00 0.00 C ATOM 862 CD1 LEU A 53 7.418 -32.439 13.076 1.00 0.00 C ATOM 863 CD2 LEU A 53 9.004 -30.514 13.185 1.00 0.00 C ATOM 0 H LEU A 53 5.161 -31.708 14.017 1.00 0.00 H new ATOM 0 HA LEU A 53 6.977 -32.678 15.951 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.614 -30.117 14.367 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.814 -30.166 15.643 1.00 0.00 H new ATOM 0 HG LEU A 53 8.898 -32.135 14.607 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.104 -32.967 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.851 -33.162 13.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.731 -31.837 12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.689 -31.040 12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.315 -29.912 12.593 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.572 -29.865 13.852 1.00 0.00 H new ATOM 875 N ILE A 54 4.895 -30.319 16.961 1.00 0.00 N ATOM 876 CA ILE A 54 4.372 -29.679 18.160 1.00 0.00 C ATOM 877 C ILE A 54 3.776 -30.716 19.106 1.00 0.00 C ATOM 878 O ILE A 54 4.002 -30.672 20.313 1.00 0.00 O ATOM 879 CB ILE A 54 3.312 -28.636 17.781 1.00 0.00 C ATOM 880 CG1 ILE A 54 4.000 -27.432 17.101 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.549 -28.170 19.030 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.504 -26.419 18.147 1.00 0.00 C ATOM 0 H ILE A 54 4.422 -30.059 16.095 1.00 0.00 H new ATOM 0 HA ILE A 54 5.194 -29.179 18.672 1.00 0.00 H new ATOM 0 HB ILE A 54 2.599 -29.086 17.090 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.836 -27.781 16.496 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.299 -26.943 16.424 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.801 -27.430 18.745 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.056 -29.024 19.495 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.248 -27.725 19.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.984 -25.582 17.641 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.662 -26.053 18.735 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.223 -26.905 18.807 1.00 0.00 H new ATOM 894 N ASP A 55 3.012 -31.643 18.549 1.00 0.00 N ATOM 895 CA ASP A 55 2.384 -32.677 19.350 1.00 0.00 C ATOM 896 C ASP A 55 3.434 -33.580 19.977 1.00 0.00 C ATOM 897 O ASP A 55 3.283 -34.031 21.113 1.00 0.00 O ATOM 898 CB ASP A 55 1.440 -33.506 18.480 1.00 0.00 C ATOM 899 CG ASP A 55 0.224 -32.671 18.104 1.00 0.00 C ATOM 900 OD1 ASP A 55 0.108 -31.571 18.618 1.00 0.00 O ATOM 901 OD2 ASP A 55 -0.574 -33.141 17.311 1.00 0.00 O ATOM 0 H ASP A 55 2.814 -31.699 17.550 1.00 0.00 H new ATOM 0 HA ASP A 55 1.815 -32.200 20.148 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.957 -33.839 17.580 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.127 -34.401 19.017 1.00 0.00 H new ATOM 906 N LEU A 56 4.489 -33.855 19.222 1.00 0.00 N ATOM 907 CA LEU A 56 5.550 -34.725 19.708 1.00 0.00 C ATOM 908 C LEU A 56 6.234 -34.126 20.937 1.00 0.00 C ATOM 909 O LEU A 56 6.484 -34.825 21.918 1.00 0.00 O ATOM 910 CB LEU A 56 6.586 -34.944 18.596 1.00 0.00 C ATOM 911 CG LEU A 56 6.070 -35.978 17.577 1.00 0.00 C ATOM 912 CD1 LEU A 56 6.878 -35.853 16.280 1.00 0.00 C ATOM 913 CD2 LEU A 56 6.226 -37.410 18.126 1.00 0.00 C ATOM 0 H LEU A 56 4.632 -33.492 18.280 1.00 0.00 H new ATOM 0 HA LEU A 56 5.107 -35.679 19.994 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.793 -34.000 18.092 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.526 -35.288 19.028 1.00 0.00 H new ATOM 0 HG LEU A 56 5.014 -35.785 17.389 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.517 -36.582 15.555 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.760 -34.849 15.873 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.932 -36.039 16.488 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.855 -38.124 17.390 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.278 -37.610 18.328 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.655 -37.510 19.049 1.00 0.00 H new ATOM 925 N TYR A 57 6.534 -32.835 20.877 1.00 0.00 N ATOM 926 CA TYR A 57 7.187 -32.165 21.994 1.00 0.00 C ATOM 927 C TYR A 57 6.179 -31.872 23.097 1.00 0.00 C ATOM 928 O TYR A 57 6.341 -32.321 24.233 1.00 0.00 O ATOM 929 CB TYR A 57 7.833 -30.863 21.503 1.00 0.00 C ATOM 930 CG TYR A 57 9.161 -31.172 20.847 1.00 0.00 C ATOM 931 CD1 TYR A 57 9.202 -31.965 19.694 1.00 0.00 C ATOM 932 CD2 TYR A 57 10.351 -30.676 21.398 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.430 -32.260 19.090 1.00 0.00 C ATOM 934 CE2 TYR A 57 11.578 -30.972 20.794 1.00 0.00 C ATOM 935 CZ TYR A 57 11.617 -31.762 19.640 1.00 0.00 C ATOM 936 OH TYR A 57 12.826 -32.053 19.043 1.00 0.00 O ATOM 0 H TYR A 57 6.338 -32.236 20.075 1.00 0.00 H new ATOM 0 HA TYR A 57 7.960 -32.817 22.400 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.173 -30.363 20.794 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.979 -30.180 22.339 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.286 -32.349 19.270 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.321 -30.066 22.288 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.462 -32.871 18.200 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.495 -30.591 21.219 1.00 0.00 H new ATOM 0 HH TYR A 57 13.551 -31.630 19.549 1.00 0.00 H new ATOM 946 N GLU A 58 5.125 -31.138 22.746 1.00 0.00 N ATOM 947 CA GLU A 58 4.076 -30.794 23.703 1.00 0.00 C ATOM 948 C GLU A 58 3.729 -31.991 24.575 1.00 0.00 C ATOM 949 O GLU A 58 3.130 -31.845 25.634 1.00 0.00 O ATOM 950 CB GLU A 58 2.825 -30.285 22.981 1.00 0.00 C ATOM 951 CG GLU A 58 3.080 -28.883 22.417 1.00 0.00 C ATOM 952 CD GLU A 58 3.230 -27.872 23.552 1.00 0.00 C ATOM 953 OE1 GLU A 58 2.750 -28.152 24.638 1.00 0.00 O ATOM 954 OE2 GLU A 58 3.816 -26.827 23.315 1.00 0.00 O ATOM 0 H GLU A 58 4.975 -30.770 21.806 1.00 0.00 H new ATOM 0 HA GLU A 58 4.454 -29.996 24.342 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.558 -30.967 22.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.981 -30.261 23.671 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.982 -28.889 21.805 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.256 -28.590 21.767 1.00 0.00 H new ATOM 961 N GLU A 59 4.094 -33.178 24.126 1.00 0.00 N ATOM 962 CA GLU A 59 3.813 -34.370 24.896 1.00 0.00 C ATOM 963 C GLU A 59 4.701 -34.433 26.145 1.00 0.00 C ATOM 964 O GLU A 59 4.202 -34.518 27.267 1.00 0.00 O ATOM 965 CB GLU A 59 4.059 -35.606 24.024 1.00 0.00 C ATOM 966 CG GLU A 59 3.429 -36.840 24.675 1.00 0.00 C ATOM 967 CD GLU A 59 4.251 -37.267 25.886 1.00 0.00 C ATOM 968 OE1 GLU A 59 5.456 -37.082 25.854 1.00 0.00 O ATOM 969 OE2 GLU A 59 3.661 -37.765 26.831 1.00 0.00 O ATOM 0 H GLU A 59 4.579 -33.339 23.243 1.00 0.00 H new ATOM 0 HA GLU A 59 2.771 -34.344 25.216 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.635 -35.452 23.032 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.130 -35.761 23.892 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.406 -36.619 24.979 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.378 -37.656 23.954 1.00 0.00 H new ATOM 976 N SER A 60 6.022 -34.401 25.938 1.00 0.00 N ATOM 977 CA SER A 60 6.987 -34.464 27.044 1.00 0.00 C ATOM 978 C SER A 60 7.426 -33.072 27.518 1.00 0.00 C ATOM 979 O SER A 60 8.051 -32.942 28.570 1.00 0.00 O ATOM 980 CB SER A 60 8.218 -35.259 26.601 1.00 0.00 C ATOM 981 OG SER A 60 7.823 -36.583 26.265 1.00 0.00 O ATOM 0 H SER A 60 6.449 -34.332 25.014 1.00 0.00 H new ATOM 0 HA SER A 60 6.492 -34.956 27.881 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.687 -34.778 25.743 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.959 -35.279 27.400 1.00 0.00 H new ATOM 0 HG SER A 60 7.036 -36.552 25.682 1.00 0.00 H new ATOM 987 N GLN A 61 7.126 -32.042 26.726 1.00 0.00 N ATOM 988 CA GLN A 61 7.529 -30.667 27.064 1.00 0.00 C ATOM 989 C GLN A 61 6.849 -30.182 28.350 1.00 0.00 C ATOM 990 O GLN A 61 7.481 -29.523 29.179 1.00 0.00 O ATOM 991 CB GLN A 61 7.170 -29.710 25.896 1.00 0.00 C ATOM 992 CG GLN A 61 8.392 -28.887 25.477 1.00 0.00 C ATOM 993 CD GLN A 61 8.906 -28.099 26.673 1.00 0.00 C ATOM 994 OE1 GLN A 61 8.363 -27.046 27.005 1.00 0.00 O ATOM 995 NE2 GLN A 61 9.921 -28.556 27.352 1.00 0.00 N ATOM 0 H GLN A 61 6.609 -32.127 25.851 1.00 0.00 H new ATOM 0 HA GLN A 61 8.607 -30.666 27.227 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.804 -30.286 25.046 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.363 -29.043 26.200 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.174 -29.545 25.098 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.126 -28.208 24.667 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.369 -29.429 27.074 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.267 -28.040 28.161 1.00 0.00 H new ATOM 1004 N PRO A 62 5.602 -30.502 28.538 1.00 0.00 N ATOM 1005 CA PRO A 62 4.841 -30.098 29.744 1.00 0.00 C ATOM 1006 C PRO A 62 4.719 -31.227 30.761 1.00 0.00 C ATOM 1007 O PRO A 62 3.805 -32.052 30.718 1.00 0.00 O ATOM 1008 CB PRO A 62 3.465 -29.769 29.149 1.00 0.00 C ATOM 1009 CG PRO A 62 3.350 -30.617 27.897 1.00 0.00 C ATOM 1010 CD PRO A 62 4.746 -31.222 27.605 1.00 0.00 C ATOM 0 HA PRO A 62 5.314 -29.282 30.290 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.667 -30.001 29.854 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.383 -28.708 28.913 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.613 -31.408 28.037 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.012 -30.012 27.056 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.767 -32.297 27.782 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.049 -31.063 26.570 1.00 0.00 H new ATOM 1018 N SER A 63 5.673 -31.227 31.688 1.00 0.00 N ATOM 1019 CA SER A 63 5.719 -32.214 32.753 1.00 0.00 C ATOM 1020 C SER A 63 4.784 -31.803 33.888 1.00 0.00 C ATOM 1021 O SER A 63 4.582 -32.555 34.843 1.00 0.00 O ATOM 1022 CB SER A 63 7.147 -32.332 33.285 1.00 0.00 C ATOM 1023 OG SER A 63 7.194 -33.337 34.288 1.00 0.00 O ATOM 0 H SER A 63 6.431 -30.545 31.719 1.00 0.00 H new ATOM 0 HA SER A 63 5.398 -33.177 32.357 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.830 -32.581 32.473 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.474 -31.377 33.696 1.00 0.00 H new ATOM 0 HG SER A 63 6.317 -33.409 34.720 1.00 0.00 H new ATOM 1029 N SER A 64 4.221 -30.596 33.781 1.00 0.00 N ATOM 1030 CA SER A 64 3.308 -30.075 34.806 1.00 0.00 C ATOM 1031 C SER A 64 1.874 -30.045 34.284 1.00 0.00 C ATOM 1032 O SER A 64 1.019 -29.352 34.835 1.00 0.00 O ATOM 1033 CB SER A 64 3.728 -28.662 35.219 1.00 0.00 C ATOM 1034 OG SER A 64 3.758 -27.824 34.071 1.00 0.00 O ATOM 0 H SER A 64 4.380 -29.962 32.998 1.00 0.00 H new ATOM 0 HA SER A 64 3.357 -30.736 35.672 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.030 -28.264 35.955 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.710 -28.686 35.691 1.00 0.00 H new ATOM 0 HG SER A 64 4.025 -26.918 34.334 1.00 0.00 H new ATOM 1040 N GLU A 65 1.620 -30.800 33.218 1.00 0.00 N ATOM 1041 CA GLU A 65 0.287 -30.858 32.625 1.00 0.00 C ATOM 1042 C GLU A 65 -0.186 -29.461 32.236 1.00 0.00 C ATOM 1043 O GLU A 65 -1.384 -29.175 32.239 1.00 0.00 O ATOM 1044 CB GLU A 65 -0.697 -31.482 33.618 1.00 0.00 C ATOM 1045 CG GLU A 65 -0.334 -32.950 33.841 1.00 0.00 C ATOM 1046 CD GLU A 65 -1.234 -33.547 34.917 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -2.074 -32.824 35.426 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -1.067 -34.717 35.219 1.00 0.00 O ATOM 0 H GLU A 65 2.317 -31.378 32.749 1.00 0.00 H new ATOM 0 HA GLU A 65 0.332 -31.474 31.727 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.668 -30.941 34.564 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.715 -31.402 33.237 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.445 -33.507 32.911 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.711 -33.034 34.140 1.00 0.00 H new ATOM 1055 N ARG A 66 0.768 -28.600 31.904 1.00 0.00 N ATOM 1056 CA ARG A 66 0.463 -27.227 31.510 1.00 0.00 C ATOM 1057 C ARG A 66 0.004 -27.159 30.060 1.00 0.00 C ATOM 1058 O ARG A 66 -0.525 -26.140 29.618 1.00 0.00 O ATOM 1059 CB ARG A 66 1.690 -26.338 31.714 1.00 0.00 C ATOM 1060 CG ARG A 66 2.833 -26.821 30.823 1.00 0.00 C ATOM 1061 CD ARG A 66 4.066 -25.956 31.070 1.00 0.00 C ATOM 1062 NE ARG A 66 5.146 -26.367 30.183 1.00 0.00 N ATOM 1063 CZ ARG A 66 6.315 -25.739 30.190 1.00 0.00 C ATOM 1064 NH1 ARG A 66 6.507 -24.727 30.991 1.00 0.00 N ATOM 1065 NH2 ARG A 66 7.268 -26.132 29.392 1.00 0.00 N ATOM 0 H ARG A 66 1.762 -28.827 31.899 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.351 -26.867 32.140 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.444 -25.303 31.477 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.997 -26.361 32.760 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.059 -27.866 31.036 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.540 -26.766 29.775 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.824 -24.907 30.901 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.383 -26.047 32.109 1.00 0.00 H new ATOM 0 HE ARG A 66 5.001 -27.150 29.546 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.759 -24.419 31.612 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.406 -24.244 30.996 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.114 -26.921 28.764 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.167 -25.651 29.396 1.00 0.00 H new ATOM 1079 N LEU A 67 0.221 -28.242 29.316 1.00 0.00 N ATOM 1080 CA LEU A 67 -0.166 -28.284 27.905 1.00 0.00 C ATOM 1081 C LEU A 67 -1.528 -27.632 27.703 1.00 0.00 C ATOM 1082 O LEU A 67 -1.870 -27.224 26.600 1.00 0.00 O ATOM 1083 CB LEU A 67 -0.236 -29.738 27.419 1.00 0.00 C ATOM 1084 CG LEU A 67 -1.096 -30.596 28.397 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -2.272 -31.241 27.650 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -0.238 -31.707 29.024 1.00 0.00 C ATOM 0 H LEU A 67 0.659 -29.096 29.662 1.00 0.00 H new ATOM 0 HA LEU A 67 0.585 -27.739 27.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.667 -29.774 26.418 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.769 -30.153 27.348 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.477 -29.939 29.179 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.863 -31.836 28.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.899 -30.462 27.216 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.891 -31.883 26.856 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.850 -32.299 29.705 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.156 -32.351 28.237 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.589 -31.260 29.575 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.296 -27.529 28.776 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.611 -26.916 28.697 1.00 0.00 C ATOM 1100 C ASN A 68 -3.513 -25.574 27.980 1.00 0.00 C ATOM 1101 O ASN A 68 -4.457 -25.139 27.319 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.171 -26.712 30.108 1.00 0.00 C ATOM 1103 CG ASN A 68 -4.647 -28.044 30.681 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -4.870 -28.998 29.938 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -4.814 -28.164 31.971 1.00 0.00 N ATOM 0 H ASN A 68 -2.034 -27.859 29.705 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.279 -27.571 28.138 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.405 -26.283 30.753 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.998 -26.003 30.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.130 -29.051 32.364 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.628 -27.371 32.585 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.357 -24.923 28.111 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.136 -23.632 27.467 1.00 0.00 C ATOM 1114 C ALA A 69 -1.713 -23.822 26.012 1.00 0.00 C ATOM 1115 O ALA A 69 -2.273 -23.205 25.109 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.046 -22.856 28.211 1.00 0.00 C ATOM 0 H ALA A 69 -1.565 -25.267 28.654 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.071 -23.072 27.496 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.887 -21.894 27.724 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.355 -22.693 29.243 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.118 -23.428 28.196 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.724 -24.685 25.794 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.237 -24.952 24.445 1.00 0.00 C ATOM 1124 C PHE A 70 -1.328 -25.596 23.600 1.00 0.00 C ATOM 1125 O PHE A 70 -1.442 -25.326 22.405 1.00 0.00 O ATOM 1126 CB PHE A 70 0.983 -25.873 24.495 1.00 0.00 C ATOM 1127 CG PHE A 70 2.163 -25.120 25.062 1.00 0.00 C ATOM 1128 CD1 PHE A 70 2.963 -24.342 24.217 1.00 0.00 C ATOM 1129 CD2 PHE A 70 2.457 -25.197 26.428 1.00 0.00 C ATOM 1130 CE1 PHE A 70 4.058 -23.642 24.737 1.00 0.00 C ATOM 1131 CE2 PHE A 70 3.553 -24.497 26.949 1.00 0.00 C ATOM 1132 CZ PHE A 70 4.352 -23.721 26.104 1.00 0.00 C ATOM 0 H PHE A 70 -0.247 -25.208 26.529 1.00 0.00 H new ATOM 0 HA PHE A 70 0.048 -24.003 23.991 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.767 -26.747 25.110 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.218 -26.237 23.495 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.735 -24.282 23.163 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.839 -25.796 27.081 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.675 -23.042 24.085 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.781 -24.557 28.003 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.197 -23.182 26.506 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.127 -26.448 24.231 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.208 -27.128 23.532 1.00 0.00 C ATOM 1144 C ARG A 71 -4.007 -26.129 22.709 1.00 0.00 C ATOM 1145 O ARG A 71 -4.598 -26.481 21.689 1.00 0.00 O ATOM 1146 CB ARG A 71 -4.126 -27.820 24.539 1.00 0.00 C ATOM 1147 CG ARG A 71 -5.203 -28.611 23.794 1.00 0.00 C ATOM 1148 CD ARG A 71 -6.045 -29.398 24.800 1.00 0.00 C ATOM 1149 NE ARG A 71 -6.775 -28.487 25.673 1.00 0.00 N ATOM 1150 CZ ARG A 71 -7.431 -28.934 26.739 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -7.431 -30.209 27.017 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -8.074 -28.099 27.508 1.00 0.00 N ATOM 0 H ARG A 71 -2.047 -26.683 25.220 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.780 -27.877 22.865 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.546 -28.488 25.176 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.590 -27.080 25.191 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.838 -27.933 23.224 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.740 -29.292 23.079 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.745 -30.045 24.271 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.401 -30.045 25.396 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.782 -27.489 25.462 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.928 -30.862 26.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.934 -30.553 27.835 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.074 -27.102 27.291 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.577 -28.443 28.326 1.00 0.00 H new ATOM 1166 N GLU A 72 -4.005 -24.875 23.150 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.719 -23.833 22.431 1.00 0.00 C ATOM 1168 C GLU A 72 -4.051 -23.590 21.086 1.00 0.00 C ATOM 1169 O GLU A 72 -4.722 -23.374 20.077 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.727 -22.535 23.240 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.566 -22.727 24.502 1.00 0.00 C ATOM 1172 CD GLU A 72 -5.525 -21.465 25.355 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.884 -20.512 24.939 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -6.134 -21.467 26.411 1.00 0.00 O ATOM 0 H GLU A 72 -3.522 -24.561 23.992 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.748 -24.157 22.276 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.708 -22.254 23.507 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.135 -21.722 22.639 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.596 -22.959 24.231 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.188 -23.574 25.074 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.720 -23.639 21.077 1.00 0.00 N ATOM 1182 CA LEU A 73 -1.974 -23.435 19.845 1.00 0.00 C ATOM 1183 C LEU A 73 -2.302 -24.536 18.849 1.00 0.00 C ATOM 1184 O LEU A 73 -2.505 -24.274 17.671 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.465 -23.429 20.133 1.00 0.00 C ATOM 1186 CG LEU A 73 0.333 -23.310 18.821 1.00 0.00 C ATOM 1187 CD1 LEU A 73 -0.086 -22.046 18.052 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.831 -23.243 19.147 1.00 0.00 C ATOM 0 H LEU A 73 -2.145 -23.816 21.901 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.258 -22.472 19.420 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.218 -22.597 20.793 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.185 -24.344 20.655 1.00 0.00 H new ATOM 0 HG LEU A 73 0.128 -24.181 18.198 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.487 -21.976 17.127 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.149 -22.099 17.817 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.107 -21.166 18.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.401 -23.159 18.222 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.028 -22.374 19.775 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.129 -24.148 19.676 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.355 -25.767 19.333 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.652 -26.901 18.472 1.00 0.00 C ATOM 1202 C ARG A 74 -4.008 -26.712 17.816 1.00 0.00 C ATOM 1203 O ARG A 74 -4.217 -27.102 16.667 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.648 -28.191 19.294 1.00 0.00 C ATOM 1205 CG ARG A 74 -1.215 -28.527 19.713 1.00 0.00 C ATOM 1206 CD ARG A 74 -1.229 -29.742 20.642 1.00 0.00 C ATOM 1207 NE ARG A 74 -1.778 -30.902 19.950 1.00 0.00 N ATOM 1208 CZ ARG A 74 -1.982 -32.049 20.590 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -1.693 -32.149 21.859 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -2.471 -33.075 19.950 1.00 0.00 N ATOM 0 H ARG A 74 -2.197 -26.006 20.312 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.889 -26.969 17.697 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.278 -28.074 20.176 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.068 -29.009 18.708 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.606 -28.735 18.833 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.763 -27.674 20.219 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.217 -29.959 20.983 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.824 -29.524 21.529 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.009 -30.832 18.959 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.311 -31.347 22.360 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.850 -33.029 22.350 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.697 -32.997 18.958 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.628 -33.955 20.441 1.00 0.00 H new ATOM 1224 N THR A 75 -4.924 -26.104 18.550 1.00 0.00 N ATOM 1225 CA THR A 75 -6.252 -25.856 18.031 1.00 0.00 C ATOM 1226 C THR A 75 -6.192 -24.923 16.825 1.00 0.00 C ATOM 1227 O THR A 75 -6.860 -25.150 15.817 1.00 0.00 O ATOM 1228 CB THR A 75 -7.125 -25.241 19.110 1.00 0.00 C ATOM 1229 OG1 THR A 75 -6.964 -25.958 20.325 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.585 -25.295 18.674 1.00 0.00 C ATOM 0 H THR A 75 -4.771 -25.775 19.503 1.00 0.00 H new ATOM 0 HA THR A 75 -6.682 -26.807 17.717 1.00 0.00 H new ATOM 0 HB THR A 75 -6.830 -24.203 19.265 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.528 -25.557 21.019 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.213 -24.854 19.448 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.708 -24.738 17.745 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.879 -26.333 18.516 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.390 -23.868 16.942 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.254 -22.903 15.859 1.00 0.00 C ATOM 1240 C GLN A 76 -4.751 -23.593 14.600 1.00 0.00 C ATOM 1241 O GLN A 76 -5.293 -23.395 13.512 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.267 -21.805 16.266 1.00 0.00 C ATOM 1243 CG GLN A 76 -4.799 -21.063 17.493 1.00 0.00 C ATOM 1244 CD GLN A 76 -6.093 -20.337 17.145 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -6.126 -19.541 16.206 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -7.170 -20.569 17.845 1.00 0.00 N ATOM 0 H GLN A 76 -4.830 -23.662 17.769 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.230 -22.461 15.658 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.293 -22.242 16.487 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.124 -21.107 15.441 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.975 -21.768 18.306 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.056 -20.348 17.846 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.141 -21.229 18.622 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.041 -20.091 17.615 1.00 0.00 H new ATOM 1255 N LEU A 77 -3.719 -24.413 14.755 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.166 -25.138 13.621 1.00 0.00 C ATOM 1257 C LEU A 77 -4.200 -26.101 13.056 1.00 0.00 C ATOM 1258 O LEU A 77 -4.344 -26.231 11.841 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.913 -25.914 14.060 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.672 -25.004 14.041 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.251 -24.689 12.596 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.969 -23.694 14.777 1.00 0.00 C ATOM 0 H LEU A 77 -3.253 -24.591 15.645 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.892 -24.423 12.845 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.061 -26.314 15.063 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.756 -26.765 13.397 1.00 0.00 H new ATOM 0 HG LEU A 77 0.142 -25.529 14.541 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.628 -24.045 12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.015 -25.617 12.075 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.067 -24.182 12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.085 -23.057 14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.796 -23.181 14.287 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.238 -23.910 15.811 1.00 0.00 H new ATOM 1274 N GLU A 78 -4.913 -26.774 13.942 1.00 0.00 N ATOM 1275 CA GLU A 78 -5.925 -27.718 13.509 1.00 0.00 C ATOM 1276 C GLU A 78 -7.047 -26.982 12.788 1.00 0.00 C ATOM 1277 O GLU A 78 -7.505 -27.410 11.730 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.481 -28.462 14.724 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.365 -29.624 14.268 1.00 0.00 C ATOM 1280 CD GLU A 78 -8.706 -29.097 13.766 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -9.164 -28.098 14.297 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -9.256 -29.701 12.861 1.00 0.00 O ATOM 0 H GLU A 78 -4.811 -26.686 14.953 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.479 -28.437 12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.662 -28.837 15.337 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.058 -27.778 15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.865 -30.182 13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.524 -30.316 15.095 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.475 -25.864 13.364 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.533 -25.064 12.764 1.00 0.00 C ATOM 1291 C LYS A 79 -8.049 -24.454 11.462 1.00 0.00 C ATOM 1292 O LYS A 79 -8.775 -24.422 10.468 1.00 0.00 O ATOM 1293 CB LYS A 79 -8.960 -23.956 13.733 1.00 0.00 C ATOM 1294 CG LYS A 79 -9.679 -24.558 14.952 1.00 0.00 C ATOM 1295 CD LYS A 79 -11.150 -24.842 14.620 1.00 0.00 C ATOM 1296 CE LYS A 79 -11.850 -25.422 15.851 1.00 0.00 C ATOM 1297 NZ LYS A 79 -13.284 -25.660 15.526 1.00 0.00 N ATOM 0 H LYS A 79 -7.107 -25.494 14.240 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.389 -25.706 12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.086 -23.393 14.060 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.620 -23.253 13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.184 -25.480 15.255 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.616 -23.870 15.795 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.646 -23.924 14.305 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.217 -25.542 13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.372 -26.355 16.151 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.764 -24.734 16.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.768 -26.055 16.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.733 -24.761 15.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.354 -26.331 14.734 1.00 0.00 H new ATOM 1311 N ALA A 80 -6.817 -23.972 11.474 1.00 0.00 N ATOM 1312 CA ALA A 80 -6.248 -23.368 10.284 1.00 0.00 C ATOM 1313 C ALA A 80 -6.211 -24.385 9.155 1.00 0.00 C ATOM 1314 O ALA A 80 -6.175 -24.022 7.978 1.00 0.00 O ATOM 1315 CB ALA A 80 -4.833 -22.861 10.558 1.00 0.00 C ATOM 0 H ALA A 80 -6.199 -23.987 12.285 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.874 -22.523 9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.426 -22.412 9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.861 -22.115 11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.201 -23.694 10.866 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.202 -25.664 9.518 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.152 -26.721 8.518 1.00 0.00 C ATOM 1323 C LEU A 81 -7.391 -26.655 7.627 1.00 0.00 C ATOM 1324 O LEU A 81 -7.295 -26.777 6.406 1.00 0.00 O ATOM 1325 CB LEU A 81 -6.075 -28.094 9.218 1.00 0.00 C ATOM 1326 CG LEU A 81 -5.271 -29.092 8.363 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -5.869 -29.167 6.950 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -3.784 -28.656 8.292 1.00 0.00 C ATOM 0 H LEU A 81 -6.228 -25.989 10.484 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.266 -26.587 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.606 -27.984 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.081 -28.479 9.388 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.324 -30.079 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.297 -29.874 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.906 -29.498 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.830 -28.182 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.225 -29.368 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.716 -27.665 7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.365 -28.628 9.298 1.00 0.00 H new ATOM 1340 N GLY A 82 -8.549 -26.456 8.248 1.00 0.00 N ATOM 1341 CA GLY A 82 -9.795 -26.369 7.498 1.00 0.00 C ATOM 1342 C GLY A 82 -9.856 -25.059 6.726 1.00 0.00 C ATOM 1343 O GLY A 82 -10.832 -24.781 6.026 1.00 0.00 O ATOM 0 H GLY A 82 -8.650 -26.353 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.872 -27.209 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.643 -26.437 8.179 1.00 0.00 H new ATOM 1347 N LEU A 83 -8.801 -24.260 6.856 1.00 0.00 N ATOM 1348 CA LEU A 83 -8.731 -22.979 6.168 1.00 0.00 C ATOM 1349 C LEU A 83 -10.006 -22.177 6.403 1.00 0.00 C ATOM 1350 O LEU A 83 -10.320 -21.255 5.653 1.00 0.00 O ATOM 1351 CB LEU A 83 -8.534 -23.211 4.668 1.00 0.00 C ATOM 1352 CG LEU A 83 -7.192 -23.917 4.420 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -7.100 -24.320 2.944 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -6.018 -22.983 4.777 1.00 0.00 C ATOM 0 H LEU A 83 -7.986 -24.478 7.430 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.886 -22.414 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.351 -23.815 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.558 -22.259 4.138 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.134 -24.804 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.149 -24.822 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.919 -24.996 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.166 -23.429 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.075 -23.498 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.066 -22.086 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.082 -22.703 5.829 1.00 0.00 H new