USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 578 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 11 MET CE :methyl 170:sc= -0.387 (180deg=-0.652) USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.479 X(o=-0.87,f=-0.91) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0.153 USER MOD Set 4.2: A 24 THR OG1 : rot -103:sc= 0.159 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 103:sc= 0.648 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 0.444 (180deg=0.249) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 79:sc= 1.24 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -130:sc= -0.632 (180deg=-2.41!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0.186 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 64 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.49) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.141 (180deg=-0.333) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0903 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 1.875 13.277 8.144 1.00 0.00 N ATOM 15 CA ASP A 2 2.794 12.519 7.299 1.00 0.00 C ATOM 16 C ASP A 2 2.284 11.093 7.080 1.00 0.00 C ATOM 17 O ASP A 2 1.503 10.572 7.880 1.00 0.00 O ATOM 18 CB ASP A 2 4.191 12.491 7.928 1.00 0.00 C ATOM 19 CG ASP A 2 5.267 12.054 6.949 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.800 12.923 6.227 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.574 10.844 6.904 1.00 0.00 O ATOM 0 HA ASP A 2 2.852 13.013 6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.433 13.483 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.187 11.814 8.782 1.00 0.00 H new ATOM 26 N VAL A 3 2.738 10.471 5.991 1.00 0.00 N ATOM 27 CA VAL A 3 2.339 9.104 5.652 1.00 0.00 C ATOM 28 C VAL A 3 2.746 8.117 6.749 1.00 0.00 C ATOM 29 O VAL A 3 2.027 7.155 7.022 1.00 0.00 O ATOM 30 CB VAL A 3 2.944 8.653 4.301 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.458 8.503 4.394 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.302 7.353 3.834 1.00 0.00 C ATOM 0 H VAL A 3 3.385 10.894 5.326 1.00 0.00 H new ATOM 0 HA VAL A 3 1.253 9.107 5.564 1.00 0.00 H new ATOM 0 HB VAL A 3 2.732 9.428 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.852 8.185 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.902 9.459 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.704 7.757 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.740 7.052 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.476 6.574 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.229 7.501 3.708 1.00 0.00 H new ATOM 42 N TRP A 4 3.898 8.364 7.376 1.00 0.00 N ATOM 43 CA TRP A 4 4.394 7.497 8.442 1.00 0.00 C ATOM 44 C TRP A 4 3.650 7.762 9.752 1.00 0.00 C ATOM 45 O TRP A 4 3.378 6.830 10.511 1.00 0.00 O ATOM 46 CB TRP A 4 5.899 7.699 8.641 1.00 0.00 C ATOM 47 CG TRP A 4 6.686 6.427 8.546 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.512 5.297 9.293 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.775 6.154 7.655 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.423 4.339 8.920 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.210 4.841 7.917 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.423 6.892 6.661 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.263 4.252 7.221 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.468 6.307 5.971 1.00 0.00 C ATOM 55 CH2 TRP A 4 9.880 4.998 6.254 1.00 0.00 C ATOM 0 H TRP A 4 4.503 9.157 7.163 1.00 0.00 H new ATOM 0 HA TRP A 4 4.214 6.463 8.147 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.266 8.402 7.893 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.072 8.153 9.617 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.767 5.174 10.065 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.501 3.406 9.324 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.113 7.902 6.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.581 3.243 7.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 9.976 6.868 5.201 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.701 4.569 5.698 1.00 0.00 H new ATOM 66 N SER A 5 3.324 9.033 10.014 1.00 0.00 N ATOM 67 CA SER A 5 2.587 9.401 11.224 1.00 0.00 C ATOM 68 C SER A 5 1.224 8.713 11.231 1.00 0.00 C ATOM 69 O SER A 5 0.863 8.039 12.197 1.00 0.00 O ATOM 70 CB SER A 5 2.412 10.921 11.302 1.00 0.00 C ATOM 71 OG SER A 5 1.738 11.299 12.492 1.00 0.00 O ATOM 0 H SER A 5 3.558 9.819 9.407 1.00 0.00 H new ATOM 0 HA SER A 5 3.155 9.073 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.388 11.405 11.264 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.850 11.270 10.436 1.00 0.00 H new ATOM 0 HG SER A 5 1.641 12.274 12.517 1.00 0.00 H new ATOM 77 N LEU A 6 0.472 8.890 10.143 1.00 0.00 N ATOM 78 CA LEU A 6 -0.847 8.282 10.007 1.00 0.00 C ATOM 79 C LEU A 6 -0.740 6.976 9.225 1.00 0.00 C ATOM 80 O LEU A 6 -0.849 6.964 7.996 1.00 0.00 O ATOM 81 CB LEU A 6 -1.812 9.245 9.307 1.00 0.00 C ATOM 82 CG LEU A 6 -1.967 10.616 9.972 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.958 11.474 9.199 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.408 10.465 11.421 1.00 0.00 C ATOM 0 H LEU A 6 0.758 9.452 9.342 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.238 8.067 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.471 9.393 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.793 8.773 9.252 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.997 11.113 9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.056 12.444 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.600 11.614 8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.929 10.979 9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.512 11.451 11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.366 9.946 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.662 9.890 11.970 1.00 0.00 H new ATOM 96 N SER A 7 -0.509 5.881 9.947 1.00 0.00 N ATOM 97 CA SER A 7 -0.365 4.566 9.327 1.00 0.00 C ATOM 98 C SER A 7 -1.348 3.533 9.899 1.00 0.00 C ATOM 99 O SER A 7 -1.244 2.342 9.600 1.00 0.00 O ATOM 100 CB SER A 7 1.076 4.076 9.492 1.00 0.00 C ATOM 101 OG SER A 7 1.982 4.911 8.794 1.00 0.00 O ATOM 0 H SER A 7 -0.418 5.879 10.963 1.00 0.00 H new ATOM 0 HA SER A 7 -0.602 4.674 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.337 4.055 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.160 3.054 9.123 1.00 0.00 H new ATOM 0 HG SER A 7 2.435 5.505 9.429 1.00 0.00 H new ATOM 107 N LYS A 8 -2.304 3.992 10.712 1.00 0.00 N ATOM 108 CA LYS A 8 -3.298 3.103 11.315 1.00 0.00 C ATOM 109 C LYS A 8 -4.532 2.943 10.423 1.00 0.00 C ATOM 110 O LYS A 8 -5.006 1.826 10.208 1.00 0.00 O ATOM 111 CB LYS A 8 -3.717 3.637 12.686 1.00 0.00 C ATOM 112 CG LYS A 8 -2.612 3.577 13.732 1.00 0.00 C ATOM 113 CD LYS A 8 -2.129 2.153 13.960 1.00 0.00 C ATOM 114 CE LYS A 8 -0.966 2.110 14.938 1.00 0.00 C ATOM 115 NZ LYS A 8 -0.495 0.718 15.183 1.00 0.00 N ATOM 0 H LYS A 8 -2.410 4.974 10.967 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.837 2.122 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.047 4.670 12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.574 3.065 13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.775 4.198 13.413 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.977 3.992 14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.950 1.546 14.342 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.823 1.715 13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.142 2.708 14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.269 2.562 15.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.002 0.674 16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.311 0.073 15.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.157 0.434 14.425 1.00 0.00 H new ATOM 129 N THR A 9 -5.047 4.063 9.911 1.00 0.00 N ATOM 130 CA THR A 9 -6.234 4.053 9.050 1.00 0.00 C ATOM 131 C THR A 9 -6.034 3.179 7.807 1.00 0.00 C ATOM 132 O THR A 9 -5.255 3.516 6.913 1.00 0.00 O ATOM 133 CB THR A 9 -6.633 5.484 8.616 1.00 0.00 C ATOM 134 OG1 THR A 9 -7.694 5.429 7.653 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.446 6.241 8.030 1.00 0.00 C ATOM 0 H THR A 9 -4.660 4.992 10.078 1.00 0.00 H new ATOM 0 HA THR A 9 -7.040 3.626 9.646 1.00 0.00 H new ATOM 0 HB THR A 9 -6.972 6.018 9.504 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.941 6.339 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.762 7.242 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.656 6.315 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.070 5.708 7.157 1.00 0.00 H new ATOM 143 N SER A 10 -6.755 2.056 7.759 1.00 0.00 N ATOM 144 CA SER A 10 -6.669 1.124 6.634 1.00 0.00 C ATOM 145 C SER A 10 -7.717 1.444 5.566 1.00 0.00 C ATOM 146 O SER A 10 -8.531 2.355 5.732 1.00 0.00 O ATOM 147 CB SER A 10 -6.851 -0.320 7.122 1.00 0.00 C ATOM 148 OG SER A 10 -8.088 -0.483 7.794 1.00 0.00 O ATOM 0 H SER A 10 -7.407 1.770 8.490 1.00 0.00 H new ATOM 0 HA SER A 10 -5.680 1.233 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.803 -1.002 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.033 -0.586 7.791 1.00 0.00 H new ATOM 0 HG SER A 10 -8.178 -1.412 8.092 1.00 0.00 H new ATOM 154 N MET A 11 -7.687 0.685 4.469 1.00 0.00 N ATOM 155 CA MET A 11 -8.634 0.873 3.372 1.00 0.00 C ATOM 156 C MET A 11 -9.141 -0.477 2.870 1.00 0.00 C ATOM 157 O MET A 11 -8.388 -1.452 2.820 1.00 0.00 O ATOM 158 CB MET A 11 -7.982 1.652 2.228 1.00 0.00 C ATOM 159 CG MET A 11 -8.982 2.284 1.271 1.00 0.00 C ATOM 160 SD MET A 11 -10.095 3.446 2.089 1.00 0.00 S ATOM 161 CE MET A 11 -8.925 4.597 2.807 1.00 0.00 C ATOM 0 H MET A 11 -7.015 -0.067 4.318 1.00 0.00 H new ATOM 0 HA MET A 11 -9.482 1.448 3.744 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.349 2.434 2.647 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.331 0.981 1.668 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.442 2.802 0.478 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.570 1.498 0.796 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.459 5.466 3.192 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.389 4.110 3.622 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.214 4.916 2.045 1.00 0.00 H new ATOM 171 N THR A 12 -10.416 -0.523 2.488 1.00 0.00 N ATOM 172 CA THR A 12 -11.029 -1.758 2.008 1.00 0.00 C ATOM 173 C THR A 12 -10.993 -1.865 0.482 1.00 0.00 C ATOM 174 O THR A 12 -11.450 -0.967 -0.227 1.00 0.00 O ATOM 175 CB THR A 12 -12.491 -1.882 2.486 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.546 -1.836 3.919 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.122 -3.181 1.996 1.00 0.00 C ATOM 0 H THR A 12 -11.044 0.281 2.502 1.00 0.00 H new ATOM 0 HA THR A 12 -10.439 -2.573 2.428 1.00 0.00 H new ATOM 0 HB THR A 12 -13.052 -1.045 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.478 -1.914 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.152 -3.241 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.109 -3.203 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.557 -4.029 2.383 1.00 0.00 H new ATOM 185 N PHE A 13 -10.440 -2.975 -0.006 1.00 0.00 N ATOM 186 CA PHE A 13 -10.358 -3.245 -1.438 1.00 0.00 C ATOM 187 C PHE A 13 -11.463 -4.212 -1.844 1.00 0.00 C ATOM 188 O PHE A 13 -11.884 -5.054 -1.049 1.00 0.00 O ATOM 189 CB PHE A 13 -8.987 -3.832 -1.799 1.00 0.00 C ATOM 190 CG PHE A 13 -7.869 -2.825 -1.810 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.107 -1.496 -2.134 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.576 -3.211 -1.502 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.077 -0.576 -2.146 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.543 -2.296 -1.514 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.793 -0.976 -1.837 1.00 0.00 C ATOM 0 H PHE A 13 -10.038 -3.708 0.578 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.484 -2.307 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.743 -4.621 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.051 -4.298 -2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.109 -1.178 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.373 -4.241 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.276 0.455 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.539 -2.612 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.985 -0.259 -1.848 1.00 0.00 H new ATOM 205 N GLN A 14 -11.932 -4.084 -3.083 1.00 0.00 N ATOM 206 CA GLN A 14 -12.990 -4.948 -3.596 1.00 0.00 C ATOM 207 C GLN A 14 -12.482 -5.800 -4.757 1.00 0.00 C ATOM 208 O GLN A 14 -11.923 -5.277 -5.723 1.00 0.00 O ATOM 209 CB GLN A 14 -14.190 -4.110 -4.042 1.00 0.00 C ATOM 210 CG GLN A 14 -15.315 -4.926 -4.664 1.00 0.00 C ATOM 211 CD GLN A 14 -16.478 -4.065 -5.127 1.00 0.00 C ATOM 212 OE1 GLN A 14 -16.297 -2.913 -5.523 1.00 0.00 O ATOM 213 NE2 GLN A 14 -17.684 -4.622 -5.080 1.00 0.00 N ATOM 0 H GLN A 14 -11.595 -3.390 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.304 -5.615 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.581 -3.567 -3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.853 -3.365 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.924 -5.488 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.674 -5.654 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.791 -5.580 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.503 -4.092 -5.379 1.00 0.00 H new ATOM 222 N PRO A 15 -12.670 -7.130 -4.671 1.00 0.00 N ATOM 223 CA PRO A 15 -12.235 -8.061 -5.717 1.00 0.00 C ATOM 224 C PRO A 15 -13.042 -7.908 -7.004 1.00 0.00 C ATOM 225 O PRO A 15 -14.211 -7.518 -6.974 1.00 0.00 O ATOM 226 CB PRO A 15 -12.467 -9.439 -5.094 1.00 0.00 C ATOM 227 CG PRO A 15 -13.507 -9.228 -4.050 1.00 0.00 C ATOM 228 CD PRO A 15 -13.322 -7.825 -3.545 1.00 0.00 C ATOM 0 HA PRO A 15 -11.200 -7.886 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.801 -10.158 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.549 -9.834 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.506 -9.363 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.397 -9.950 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.275 -7.363 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.704 -7.801 -2.648 1.00 0.00 H new ATOM 236 N LYS A 16 -12.407 -8.218 -8.135 1.00 0.00 N ATOM 237 CA LYS A 16 -13.063 -8.126 -9.437 1.00 0.00 C ATOM 238 C LYS A 16 -13.991 -9.319 -9.664 1.00 0.00 C ATOM 239 O LYS A 16 -15.097 -9.162 -10.183 1.00 0.00 O ATOM 240 CB LYS A 16 -12.020 -8.054 -10.557 1.00 0.00 C ATOM 241 CG LYS A 16 -11.218 -6.760 -10.574 1.00 0.00 C ATOM 242 CD LYS A 16 -12.097 -5.558 -10.884 1.00 0.00 C ATOM 243 CE LYS A 16 -11.277 -4.281 -10.978 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.131 -3.089 -11.243 1.00 0.00 N ATOM 0 H LYS A 16 -11.438 -8.535 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.661 -7.215 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.333 -8.894 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.524 -8.170 -11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.735 -6.618 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.425 -6.833 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.624 -5.724 -11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.855 -5.449 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.727 -4.134 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.538 -4.382 -11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.534 -2.240 -11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.637 -3.217 -12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.820 -2.977 -10.472 1.00 0.00 H new ATOM 258 N LYS A 17 -13.531 -10.509 -9.268 1.00 0.00 N ATOM 259 CA LYS A 17 -14.314 -11.734 -9.428 1.00 0.00 C ATOM 260 C LYS A 17 -14.753 -12.292 -8.075 1.00 0.00 C ATOM 261 O LYS A 17 -14.305 -11.829 -7.023 1.00 0.00 O ATOM 262 CB LYS A 17 -13.499 -12.789 -10.185 1.00 0.00 C ATOM 263 CG LYS A 17 -13.008 -12.323 -11.546 1.00 0.00 C ATOM 264 CD LYS A 17 -12.174 -13.393 -12.231 1.00 0.00 C ATOM 265 CE LYS A 17 -11.632 -12.907 -13.567 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.773 -13.930 -14.224 1.00 0.00 N ATOM 0 H LYS A 17 -12.619 -10.649 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.207 -11.487 -10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.640 -13.076 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.110 -13.682 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.861 -12.067 -12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.415 -11.416 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.345 -13.680 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.781 -14.285 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.463 -12.654 -14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.057 -11.994 -13.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.424 -13.560 -15.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.966 -14.153 -13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.328 -14.793 -14.393 1.00 0.00 H new ATOM 280 N ALA A 18 -15.634 -13.294 -8.114 1.00 0.00 N ATOM 281 CA ALA A 18 -16.142 -13.930 -6.900 1.00 0.00 C ATOM 282 C ALA A 18 -15.031 -14.657 -6.141 1.00 0.00 C ATOM 283 O ALA A 18 -14.974 -14.601 -4.911 1.00 0.00 O ATOM 284 CB ALA A 18 -17.265 -14.898 -7.245 1.00 0.00 C ATOM 0 H ALA A 18 -16.011 -13.683 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.532 -13.147 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.635 -15.366 -6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.077 -14.356 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.888 -15.667 -7.920 1.00 0.00 H new ATOM 290 N SER A 19 -14.153 -15.338 -6.883 1.00 0.00 N ATOM 291 CA SER A 19 -13.040 -16.077 -6.284 1.00 0.00 C ATOM 292 C SER A 19 -12.172 -15.172 -5.410 1.00 0.00 C ATOM 293 O SER A 19 -11.757 -15.566 -4.319 1.00 0.00 O ATOM 294 CB SER A 19 -12.179 -16.720 -7.377 1.00 0.00 C ATOM 295 OG SER A 19 -12.931 -17.644 -8.145 1.00 0.00 O ATOM 0 H SER A 19 -14.192 -15.392 -7.901 1.00 0.00 H new ATOM 0 HA SER A 19 -13.465 -16.856 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.776 -15.945 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.329 -17.228 -6.922 1.00 0.00 H new ATOM 0 HG SER A 19 -12.358 -18.038 -8.836 1.00 0.00 H new ATOM 301 N LEU A 20 -11.904 -13.957 -5.894 1.00 0.00 N ATOM 302 CA LEU A 20 -11.087 -12.997 -5.159 1.00 0.00 C ATOM 303 C LEU A 20 -11.830 -12.463 -3.933 1.00 0.00 C ATOM 304 O LEU A 20 -13.058 -12.355 -3.936 1.00 0.00 O ATOM 305 CB LEU A 20 -10.688 -11.835 -6.071 1.00 0.00 C ATOM 306 CG LEU A 20 -9.930 -12.228 -7.341 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.758 -11.021 -8.249 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.576 -12.831 -6.994 1.00 0.00 C ATOM 0 H LEU A 20 -12.243 -13.617 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.189 -13.512 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.590 -11.295 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.071 -11.142 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.513 -12.981 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.217 -11.316 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.738 -10.632 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.196 -10.248 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.053 -13.104 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.984 -12.101 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.720 -13.720 -6.381 1.00 0.00 H new ATOM 320 N GLN A 21 -11.070 -12.131 -2.890 1.00 0.00 N ATOM 321 CA GLN A 21 -11.642 -11.608 -1.648 1.00 0.00 C ATOM 322 C GLN A 21 -11.115 -10.206 -1.337 1.00 0.00 C ATOM 323 O GLN A 21 -9.968 -9.883 -1.648 1.00 0.00 O ATOM 324 CB GLN A 21 -11.336 -12.554 -0.483 1.00 0.00 C ATOM 325 CG GLN A 21 -12.003 -13.914 -0.612 1.00 0.00 C ATOM 326 CD GLN A 21 -11.873 -14.752 0.646 1.00 0.00 C ATOM 327 OE1 GLN A 21 -10.914 -15.508 0.805 1.00 0.00 O ATOM 328 NE2 GLN A 21 -12.839 -14.621 1.549 1.00 0.00 N ATOM 0 H GLN A 21 -10.054 -12.215 -2.880 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.722 -11.541 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.257 -12.693 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.659 -12.087 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.059 -13.776 -0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.561 -14.453 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.616 -13.983 1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.804 -15.159 2.415 1.00 0.00 H new ATOM 337 N PRO A 22 -11.950 -9.359 -0.701 1.00 0.00 N ATOM 338 CA PRO A 22 -11.579 -7.980 -0.349 1.00 0.00 C ATOM 339 C PRO A 22 -10.374 -7.909 0.590 1.00 0.00 C ATOM 340 O PRO A 22 -10.150 -8.813 1.399 1.00 0.00 O ATOM 341 CB PRO A 22 -12.834 -7.427 0.340 1.00 0.00 C ATOM 342 CG PRO A 22 -13.613 -8.626 0.756 1.00 0.00 C ATOM 343 CD PRO A 22 -13.321 -9.684 -0.267 1.00 0.00 C ATOM 0 HA PRO A 22 -11.278 -7.413 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.572 -6.810 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.411 -6.799 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.320 -8.955 1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.680 -8.404 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.382 -10.685 0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.026 -9.648 -1.097 1.00 0.00 H new ATOM 351 N LEU A 23 -9.605 -6.824 0.476 1.00 0.00 N ATOM 352 CA LEU A 23 -8.415 -6.623 1.304 1.00 0.00 C ATOM 353 C LEU A 23 -8.528 -5.344 2.127 1.00 0.00 C ATOM 354 O LEU A 23 -8.717 -4.259 1.577 1.00 0.00 O ATOM 355 CB LEU A 23 -7.168 -6.571 0.416 1.00 0.00 C ATOM 356 CG LEU A 23 -5.825 -6.573 1.156 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.723 -7.107 0.254 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.475 -5.173 1.642 1.00 0.00 C ATOM 0 H LEU A 23 -9.787 -6.068 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.332 -7.462 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.190 -7.425 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.221 -5.674 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.915 -7.226 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.776 -7.102 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.963 -8.126 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.639 -6.476 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.519 -5.198 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.405 -4.498 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.250 -4.819 2.322 1.00 0.00 H new ATOM 370 N THR A 24 -8.400 -5.476 3.447 1.00 0.00 N ATOM 371 CA THR A 24 -8.494 -4.323 4.341 1.00 0.00 C ATOM 372 C THR A 24 -7.277 -4.225 5.262 1.00 0.00 C ATOM 373 O THR A 24 -7.245 -4.840 6.331 1.00 0.00 O ATOM 374 CB THR A 24 -9.782 -4.370 5.191 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.926 -4.518 4.342 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.930 -3.103 6.026 1.00 0.00 C ATOM 0 H THR A 24 -8.232 -6.365 3.919 1.00 0.00 H new ATOM 0 HA THR A 24 -8.524 -3.437 3.706 1.00 0.00 H new ATOM 0 HB THR A 24 -9.713 -5.225 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.382 -3.655 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.845 -3.161 6.616 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.074 -3.005 6.693 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.977 -2.236 5.367 1.00 0.00 H new ATOM 384 N ILE A 25 -6.273 -3.460 4.833 1.00 0.00 N ATOM 385 CA ILE A 25 -5.051 -3.286 5.618 1.00 0.00 C ATOM 386 C ILE A 25 -4.491 -1.869 5.460 1.00 0.00 C ATOM 387 O ILE A 25 -4.797 -1.177 4.486 1.00 0.00 O ATOM 388 CB ILE A 25 -3.976 -4.325 5.215 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.984 -4.550 6.361 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.243 -3.890 3.952 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.605 -5.196 7.581 1.00 0.00 C ATOM 0 H ILE A 25 -6.282 -2.952 3.948 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.312 -3.443 6.665 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.482 -5.268 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.166 -5.176 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.550 -3.592 6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.494 -4.637 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.956 -3.790 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.754 -2.932 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.845 -5.325 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.404 -4.560 7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.014 -6.169 7.309 1.00 0.00 H new ATOM 403 N SER A 26 -3.672 -1.444 6.423 1.00 0.00 N ATOM 404 CA SER A 26 -3.078 -0.110 6.391 1.00 0.00 C ATOM 405 C SER A 26 -1.550 -0.166 6.297 1.00 0.00 C ATOM 406 O SER A 26 -0.957 -1.240 6.195 1.00 0.00 O ATOM 407 CB SER A 26 -3.490 0.674 7.638 1.00 0.00 C ATOM 408 OG SER A 26 -3.145 2.043 7.516 1.00 0.00 O ATOM 0 H SER A 26 -3.406 -2.004 7.233 1.00 0.00 H new ATOM 0 HA SER A 26 -3.448 0.393 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.565 0.579 7.793 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.003 0.250 8.516 1.00 0.00 H new ATOM 0 HG SER A 26 -3.807 2.499 6.955 1.00 0.00 H new ATOM 414 N LEU A 27 -0.932 1.014 6.335 1.00 0.00 N ATOM 415 CA LEU A 27 0.522 1.162 6.265 1.00 0.00 C ATOM 416 C LEU A 27 1.229 0.419 7.399 1.00 0.00 C ATOM 417 O LEU A 27 2.025 -0.488 7.154 1.00 0.00 O ATOM 418 CB LEU A 27 0.890 2.649 6.329 1.00 0.00 C ATOM 419 CG LEU A 27 0.164 3.546 5.322 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.621 4.988 5.467 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.391 3.051 3.902 1.00 0.00 C ATOM 0 H LEU A 27 -1.430 1.901 6.416 1.00 0.00 H new ATOM 0 HA LEU A 27 0.853 0.728 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.681 3.015 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.964 2.748 6.171 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.905 3.502 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.095 5.611 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.402 5.339 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.694 5.050 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.133 3.702 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.458 3.062 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.011 2.034 3.806 1.00 0.00 H new ATOM 433 N ASP A 28 0.922 0.800 8.638 1.00 0.00 N ATOM 434 CA ASP A 28 1.547 0.189 9.812 1.00 0.00 C ATOM 435 C ASP A 28 1.176 -1.289 9.940 1.00 0.00 C ATOM 436 O ASP A 28 1.960 -2.088 10.455 1.00 0.00 O ATOM 437 CB ASP A 28 1.137 0.942 11.083 1.00 0.00 C ATOM 438 CG ASP A 28 1.914 0.489 12.305 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.028 1.006 12.523 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.407 -0.381 13.044 1.00 0.00 O ATOM 0 H ASP A 28 0.244 1.530 8.856 1.00 0.00 H new ATOM 0 HA ASP A 28 2.627 0.256 9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.292 2.011 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.071 0.796 11.260 1.00 0.00 H new ATOM 445 N GLU A 29 -0.017 -1.644 9.466 1.00 0.00 N ATOM 446 CA GLU A 29 -0.493 -3.022 9.538 1.00 0.00 C ATOM 447 C GLU A 29 0.005 -3.876 8.363 1.00 0.00 C ATOM 448 O GLU A 29 -0.162 -5.097 8.381 1.00 0.00 O ATOM 449 CB GLU A 29 -2.024 -3.046 9.587 1.00 0.00 C ATOM 450 CG GLU A 29 -2.609 -2.628 10.929 1.00 0.00 C ATOM 451 CD GLU A 29 -2.292 -1.188 11.296 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.955 -0.278 10.758 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.385 -0.975 12.126 1.00 0.00 O ATOM 0 H GLU A 29 -0.671 -0.995 9.028 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.086 -3.456 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.412 -2.385 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.369 -4.052 9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.691 -2.760 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.225 -3.288 11.707 1.00 0.00 H new ATOM 460 N LEU A 30 0.612 -3.249 7.346 1.00 0.00 N ATOM 461 CA LEU A 30 1.109 -4.000 6.188 1.00 0.00 C ATOM 462 C LEU A 30 2.621 -3.804 5.968 1.00 0.00 C ATOM 463 O LEU A 30 3.176 -4.291 4.986 1.00 0.00 O ATOM 464 CB LEU A 30 0.313 -3.610 4.929 1.00 0.00 C ATOM 465 CG LEU A 30 0.206 -4.666 3.812 1.00 0.00 C ATOM 466 CD1 LEU A 30 1.499 -4.779 3.021 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.185 -6.020 4.382 1.00 0.00 C ATOM 0 H LEU A 30 0.768 -2.242 7.302 1.00 0.00 H new ATOM 0 HA LEU A 30 0.960 -5.060 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.697 -3.340 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.767 -2.714 4.505 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.576 -4.336 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.385 -5.533 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.731 -3.817 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.310 -5.067 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.254 -6.749 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.569 -6.344 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.150 -5.939 4.882 1.00 0.00 H new ATOM 479 N PHE A 31 3.299 -3.121 6.902 1.00 0.00 N ATOM 480 CA PHE A 31 4.745 -2.915 6.768 1.00 0.00 C ATOM 481 C PHE A 31 5.462 -3.202 8.085 1.00 0.00 C ATOM 482 O PHE A 31 4.973 -2.848 9.160 1.00 0.00 O ATOM 483 CB PHE A 31 5.081 -1.501 6.271 1.00 0.00 C ATOM 484 CG PHE A 31 4.358 -1.097 5.013 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.367 -1.913 3.893 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.667 0.103 4.954 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.700 -1.542 2.743 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.000 0.480 3.805 1.00 0.00 C ATOM 489 CZ PHE A 31 3.016 -0.345 2.699 1.00 0.00 C ATOM 0 H PHE A 31 2.881 -2.712 7.738 1.00 0.00 H new ATOM 0 HA PHE A 31 5.100 -3.621 6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.843 -0.786 7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.155 -1.436 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.902 -2.851 3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.650 0.751 5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.714 -2.189 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.467 1.419 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.493 -0.054 1.800 1.00 0.00 H new ATOM 499 N SER A 32 6.627 -3.845 7.992 1.00 0.00 N ATOM 500 CA SER A 32 7.417 -4.193 9.172 1.00 0.00 C ATOM 501 C SER A 32 8.890 -3.815 8.981 1.00 0.00 C ATOM 502 O SER A 32 9.775 -4.415 9.596 1.00 0.00 O ATOM 503 CB SER A 32 7.311 -5.700 9.422 1.00 0.00 C ATOM 504 OG SER A 32 5.961 -6.098 9.599 1.00 0.00 O ATOM 0 H SER A 32 7.045 -4.136 7.108 1.00 0.00 H new ATOM 0 HA SER A 32 7.027 -3.638 10.025 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.745 -6.242 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.890 -5.966 10.306 1.00 0.00 H new ATOM 0 HG SER A 32 5.923 -7.065 9.755 1.00 0.00 H new ATOM 510 N SER A 33 9.150 -2.809 8.140 1.00 0.00 N ATOM 511 CA SER A 33 10.517 -2.365 7.872 1.00 0.00 C ATOM 512 C SER A 33 10.539 -0.941 7.321 1.00 0.00 C ATOM 513 O SER A 33 9.748 -0.594 6.441 1.00 0.00 O ATOM 514 CB SER A 33 11.204 -3.320 6.890 1.00 0.00 C ATOM 515 OG SER A 33 12.493 -2.850 6.531 1.00 0.00 O ATOM 0 H SER A 33 8.432 -2.289 7.635 1.00 0.00 H new ATOM 0 HA SER A 33 11.062 -2.372 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.288 -4.309 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.591 -3.427 5.995 1.00 0.00 H new ATOM 0 HG SER A 33 12.908 -3.480 5.905 1.00 0.00 H new ATOM 521 N ARG A 34 11.452 -0.119 7.844 1.00 0.00 N ATOM 522 CA ARG A 34 11.585 1.267 7.396 1.00 0.00 C ATOM 523 C ARG A 34 12.063 1.322 5.947 1.00 0.00 C ATOM 524 O ARG A 34 11.506 2.059 5.131 1.00 0.00 O ATOM 525 CB ARG A 34 12.554 2.036 8.298 1.00 0.00 C ATOM 526 CG ARG A 34 12.118 2.094 9.755 1.00 0.00 C ATOM 527 CD ARG A 34 13.084 2.917 10.596 1.00 0.00 C ATOM 528 NE ARG A 34 13.091 4.329 10.208 1.00 0.00 N ATOM 529 CZ ARG A 34 13.983 5.221 10.648 1.00 0.00 C ATOM 530 NH1 ARG A 34 14.945 4.853 11.491 1.00 0.00 N ATOM 531 NH2 ARG A 34 13.911 6.483 10.243 1.00 0.00 N ATOM 0 H ARG A 34 12.108 -0.390 8.576 1.00 0.00 H new ATOM 0 HA ARG A 34 10.603 1.737 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.538 1.570 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.660 3.052 7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.119 2.526 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.055 1.083 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.810 2.832 11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.090 2.509 10.495 1.00 0.00 H new ATOM 0 HE ARG A 34 12.370 4.651 9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.005 3.884 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.623 5.540 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.176 6.770 9.597 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.591 7.166 10.578 1.00 0.00 H new ATOM 545 N GLY A 35 13.101 0.537 5.635 1.00 0.00 N ATOM 546 CA GLY A 35 13.627 0.496 4.279 1.00 0.00 C ATOM 547 C GLY A 35 12.608 -0.027 3.286 1.00 0.00 C ATOM 548 O GLY A 35 12.544 0.449 2.152 1.00 0.00 O ATOM 0 H GLY A 35 13.584 -0.069 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.941 1.497 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.514 -0.137 4.254 1.00 0.00 H new ATOM 552 N GLU A 36 11.813 -1.015 3.708 1.00 0.00 N ATOM 553 CA GLU A 36 10.773 -1.576 2.850 1.00 0.00 C ATOM 554 C GLU A 36 9.763 -0.487 2.494 1.00 0.00 C ATOM 555 O GLU A 36 9.292 -0.415 1.358 1.00 0.00 O ATOM 556 CB GLU A 36 10.072 -2.751 3.539 1.00 0.00 C ATOM 557 CG GLU A 36 9.021 -3.434 2.674 1.00 0.00 C ATOM 558 CD GLU A 36 9.576 -3.942 1.354 1.00 0.00 C ATOM 559 OE1 GLU A 36 10.112 -5.070 1.330 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.467 -3.214 0.344 1.00 0.00 O ATOM 0 H GLU A 36 11.871 -1.439 4.634 1.00 0.00 H new ATOM 0 HA GLU A 36 11.235 -1.951 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.821 -3.487 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.600 -2.394 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.591 -4.269 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.211 -2.733 2.475 1.00 0.00 H new ATOM 567 N PHE A 37 9.437 0.359 3.480 1.00 0.00 N ATOM 568 CA PHE A 37 8.509 1.469 3.273 1.00 0.00 C ATOM 569 C PHE A 37 9.021 2.367 2.146 1.00 0.00 C ATOM 570 O PHE A 37 8.249 2.825 1.304 1.00 0.00 O ATOM 571 CB PHE A 37 8.350 2.278 4.565 1.00 0.00 C ATOM 572 CG PHE A 37 7.173 3.214 4.558 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.924 2.778 4.970 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.317 4.529 4.145 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.840 3.636 4.970 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.238 5.391 4.144 1.00 0.00 C ATOM 577 CZ PHE A 37 4.998 4.944 4.557 1.00 0.00 C ATOM 0 H PHE A 37 9.805 0.292 4.429 1.00 0.00 H new ATOM 0 HA PHE A 37 7.534 1.069 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.248 1.589 5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.259 2.855 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.796 1.756 5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.284 4.884 3.820 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.871 3.284 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.364 6.414 3.821 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.153 5.617 4.557 1.00 0.00 H new ATOM 587 N ILE A 38 10.328 2.638 2.159 1.00 0.00 N ATOM 588 CA ILE A 38 10.958 3.446 1.119 1.00 0.00 C ATOM 589 C ILE A 38 10.712 2.843 -0.265 1.00 0.00 C ATOM 590 O ILE A 38 10.270 3.543 -1.178 1.00 0.00 O ATOM 591 CB ILE A 38 12.481 3.576 1.358 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.753 4.252 2.706 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.143 4.353 0.226 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.059 5.588 2.871 1.00 0.00 C ATOM 0 H ILE A 38 10.969 2.308 2.880 1.00 0.00 H new ATOM 0 HA ILE A 38 10.508 4.438 1.163 1.00 0.00 H new ATOM 0 HB ILE A 38 12.911 2.575 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.433 3.586 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.828 4.395 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.213 4.432 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.979 3.832 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.710 5.352 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.299 6.004 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.397 6.272 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.981 5.450 2.790 1.00 0.00 H new ATOM 606 N SER A 39 10.998 1.543 -0.416 1.00 0.00 N ATOM 607 CA SER A 39 10.803 0.866 -1.698 1.00 0.00 C ATOM 608 C SER A 39 9.339 0.960 -2.122 1.00 0.00 C ATOM 609 O SER A 39 9.029 1.590 -3.134 1.00 0.00 O ATOM 610 CB SER A 39 11.252 -0.596 -1.620 1.00 0.00 C ATOM 611 OG SER A 39 11.122 -1.242 -2.875 1.00 0.00 O ATOM 0 H SER A 39 11.361 0.947 0.328 1.00 0.00 H new ATOM 0 HA SER A 39 11.418 1.363 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.290 -0.643 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.656 -1.122 -0.874 1.00 0.00 H new ATOM 0 HG SER A 39 11.417 -2.173 -2.796 1.00 0.00 H new ATOM 617 N VAL A 40 8.450 0.306 -1.358 1.00 0.00 N ATOM 618 CA VAL A 40 7.013 0.280 -1.657 1.00 0.00 C ATOM 619 C VAL A 40 6.486 1.567 -2.294 1.00 0.00 C ATOM 620 O VAL A 40 5.638 1.501 -3.185 1.00 0.00 O ATOM 621 CB VAL A 40 6.157 -0.064 -0.413 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.461 -1.472 0.082 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.368 0.948 0.700 1.00 0.00 C ATOM 0 H VAL A 40 8.707 -0.216 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 40 6.911 -0.516 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 40 5.110 -0.022 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.848 -1.691 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.238 -2.191 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.515 -1.543 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.753 0.678 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.418 0.953 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.085 1.940 0.348 1.00 0.00 H new ATOM 633 N GLY A 41 6.971 2.733 -1.856 1.00 0.00 N ATOM 634 CA GLY A 41 6.506 3.986 -2.430 1.00 0.00 C ATOM 635 C GLY A 41 6.080 4.982 -1.364 1.00 0.00 C ATOM 636 O GLY A 41 5.040 5.626 -1.497 1.00 0.00 O ATOM 0 H GLY A 41 7.671 2.829 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.300 4.423 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.667 3.789 -3.097 1.00 0.00 H new ATOM 640 N GLY A 42 6.894 5.115 -0.309 1.00 0.00 N ATOM 641 CA GLY A 42 6.568 6.027 0.775 1.00 0.00 C ATOM 642 C GLY A 42 7.643 7.067 1.030 1.00 0.00 C ATOM 643 O GLY A 42 8.632 6.792 1.711 1.00 0.00 O ATOM 0 H GLY A 42 7.770 4.606 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.630 6.533 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.405 5.453 1.687 1.00 0.00 H new ATOM 647 N ASP A 43 7.442 8.261 0.478 1.00 0.00 N ATOM 648 CA ASP A 43 8.360 9.376 0.703 1.00 0.00 C ATOM 649 C ASP A 43 7.992 10.045 2.030 1.00 0.00 C ATOM 650 O ASP A 43 8.656 9.813 3.042 1.00 0.00 O ATOM 651 CB ASP A 43 8.293 10.378 -0.453 1.00 0.00 C ATOM 652 CG ASP A 43 8.839 9.809 -1.749 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.058 9.186 -2.500 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.047 9.983 -2.012 1.00 0.00 O ATOM 0 H ASP A 43 6.652 8.482 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 43 9.385 9.007 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.258 10.686 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.856 11.272 -0.187 1.00 0.00 H new ATOM 659 N GLY A 44 6.941 10.868 2.031 1.00 0.00 N ATOM 660 CA GLY A 44 6.539 11.548 3.254 1.00 0.00 C ATOM 661 C GLY A 44 5.070 11.916 3.273 1.00 0.00 C ATOM 662 O GLY A 44 4.292 11.320 4.011 1.00 0.00 O ATOM 0 H GLY A 44 6.366 11.074 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.758 10.907 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.136 12.452 3.373 1.00 0.00 H new ATOM 666 N ARG A 45 4.691 12.903 2.473 1.00 0.00 N ATOM 667 CA ARG A 45 3.304 13.343 2.415 1.00 0.00 C ATOM 668 C ARG A 45 2.539 12.577 1.341 1.00 0.00 C ATOM 669 O ARG A 45 2.583 12.927 0.160 1.00 0.00 O ATOM 670 CB ARG A 45 3.232 14.851 2.162 1.00 0.00 C ATOM 671 CG ARG A 45 3.674 15.687 3.355 1.00 0.00 C ATOM 672 CD ARG A 45 5.126 15.419 3.728 1.00 0.00 C ATOM 673 NE ARG A 45 5.618 16.351 4.742 1.00 0.00 N ATOM 674 CZ ARG A 45 6.835 16.284 5.288 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.691 15.335 4.919 1.00 0.00 N ATOM 676 NH2 ARG A 45 7.196 17.172 6.209 1.00 0.00 N ATOM 0 H ARG A 45 5.323 13.413 1.856 1.00 0.00 H new ATOM 0 HA ARG A 45 2.836 13.134 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.857 15.098 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.209 15.119 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.548 16.745 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.033 15.468 4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.222 14.398 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.748 15.494 2.836 1.00 0.00 H new ATOM 0 HE ARG A 45 4.994 17.097 5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.420 14.650 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.618 15.292 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.544 17.902 6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.125 17.123 6.628 1.00 0.00 H new ATOM 690 N MET A 46 1.845 11.520 1.764 1.00 0.00 N ATOM 691 CA MET A 46 1.071 10.692 0.847 1.00 0.00 C ATOM 692 C MET A 46 -0.314 11.291 0.609 1.00 0.00 C ATOM 693 O MET A 46 -0.736 12.206 1.321 1.00 0.00 O ATOM 694 CB MET A 46 0.945 9.268 1.396 1.00 0.00 C ATOM 695 CG MET A 46 0.775 8.214 0.315 1.00 0.00 C ATOM 696 SD MET A 46 2.163 7.065 0.243 1.00 0.00 S ATOM 697 CE MET A 46 3.496 8.175 -0.205 1.00 0.00 C ATOM 0 H MET A 46 1.805 11.219 2.738 1.00 0.00 H new ATOM 0 HA MET A 46 1.597 10.657 -0.107 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.833 9.034 1.984 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.093 9.223 2.074 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.144 7.657 0.497 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.664 8.705 -0.652 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.043 7.763 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.084 9.147 -0.476 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.173 8.291 0.641 1.00 0.00 H new ATOM 707 N SER A 47 -1.018 10.766 -0.392 1.00 0.00 N ATOM 708 CA SER A 47 -2.346 11.259 -0.735 1.00 0.00 C ATOM 709 C SER A 47 -3.456 10.512 0.009 1.00 0.00 C ATOM 710 O SER A 47 -3.985 11.000 1.009 1.00 0.00 O ATOM 711 CB SER A 47 -2.567 11.163 -2.248 1.00 0.00 C ATOM 712 OG SER A 47 -1.781 12.118 -2.941 1.00 0.00 O ATOM 0 H SER A 47 -0.689 9.999 -0.979 1.00 0.00 H new ATOM 0 HA SER A 47 -2.395 12.302 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.314 10.160 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.621 11.321 -2.475 1.00 0.00 H new ATOM 0 HG SER A 47 -1.939 12.035 -3.905 1.00 0.00 H new ATOM 718 N HIS A 48 -3.793 9.322 -0.491 1.00 0.00 N ATOM 719 CA HIS A 48 -4.868 8.500 0.061 1.00 0.00 C ATOM 720 C HIS A 48 -4.855 7.116 -0.582 1.00 0.00 C ATOM 721 O HIS A 48 -4.538 6.128 0.082 1.00 0.00 O ATOM 722 CB HIS A 48 -6.219 9.186 -0.195 1.00 0.00 C ATOM 723 CG HIS A 48 -7.411 8.333 0.124 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.092 8.410 1.320 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.049 7.386 -0.609 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.093 7.549 1.311 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.090 6.917 0.153 1.00 0.00 N ATOM 0 H HIS A 48 -3.325 8.901 -1.294 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.718 8.387 1.135 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.269 10.098 0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.270 9.485 -1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.787 7.062 -1.605 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.795 7.389 2.116 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.754 6.196 -0.130 1.00 0.00 H new ATOM 736 N LYS A 49 -5.193 7.039 -1.870 1.00 0.00 N ATOM 737 CA LYS A 49 -5.164 5.769 -2.589 1.00 0.00 C ATOM 738 C LYS A 49 -3.716 5.283 -2.737 1.00 0.00 C ATOM 739 O LYS A 49 -3.465 4.083 -2.869 1.00 0.00 O ATOM 740 CB LYS A 49 -5.814 5.932 -3.964 1.00 0.00 C ATOM 741 CG LYS A 49 -6.100 4.613 -4.662 1.00 0.00 C ATOM 742 CD LYS A 49 -6.975 4.807 -5.891 1.00 0.00 C ATOM 743 CE LYS A 49 -8.373 5.279 -5.516 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.252 5.419 -6.711 1.00 0.00 N ATOM 0 H LYS A 49 -5.488 7.837 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.726 5.026 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.747 6.484 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.161 6.534 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.160 4.144 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.593 3.933 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.511 5.535 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.043 3.869 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.820 4.571 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.306 6.237 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.194 5.742 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.839 6.113 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.337 4.499 -7.189 1.00 0.00 H new ATOM 758 N GLU A 50 -2.769 6.229 -2.709 1.00 0.00 N ATOM 759 CA GLU A 50 -1.349 5.921 -2.839 1.00 0.00 C ATOM 760 C GLU A 50 -0.824 5.149 -1.628 1.00 0.00 C ATOM 761 O GLU A 50 -0.207 4.095 -1.784 1.00 0.00 O ATOM 762 CB GLU A 50 -0.554 7.223 -3.013 1.00 0.00 C ATOM 763 CG GLU A 50 0.954 7.027 -3.075 1.00 0.00 C ATOM 764 CD GLU A 50 1.385 6.131 -4.223 1.00 0.00 C ATOM 765 OE1 GLU A 50 1.500 6.637 -5.359 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.608 4.926 -3.985 1.00 0.00 O ATOM 0 H GLU A 50 -2.969 7.223 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.221 5.287 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.883 7.718 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.789 7.893 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.438 7.998 -3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.299 6.596 -2.135 1.00 0.00 H new ATOM 773 N ALA A 51 -1.083 5.674 -0.424 1.00 0.00 N ATOM 774 CA ALA A 51 -0.616 5.045 0.815 1.00 0.00 C ATOM 775 C ALA A 51 -0.958 3.558 0.855 1.00 0.00 C ATOM 776 O ALA A 51 -0.053 2.726 0.949 1.00 0.00 O ATOM 777 CB ALA A 51 -1.192 5.763 2.030 1.00 0.00 C ATOM 0 H ALA A 51 -1.614 6.533 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 51 0.470 5.132 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.834 5.282 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.874 6.805 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.281 5.716 1.998 1.00 0.00 H new ATOM 783 N ILE A 52 -2.244 3.214 0.786 1.00 0.00 N ATOM 784 CA ILE A 52 -2.642 1.807 0.851 1.00 0.00 C ATOM 785 C ILE A 52 -1.909 0.993 -0.217 1.00 0.00 C ATOM 786 O ILE A 52 -1.381 -0.081 0.072 1.00 0.00 O ATOM 787 CB ILE A 52 -4.168 1.623 0.716 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.903 2.479 1.754 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.548 0.155 0.867 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.641 2.069 3.189 1.00 0.00 C ATOM 0 H ILE A 52 -3.015 3.875 0.687 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.359 1.439 1.837 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.468 1.952 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.608 3.520 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.974 2.425 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.628 0.047 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.053 -0.431 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.235 -0.203 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.197 2.723 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.962 1.038 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.575 2.151 3.402 1.00 0.00 H new ATOM 802 N LEU A 53 -1.891 1.508 -1.450 1.00 0.00 N ATOM 803 CA LEU A 53 -1.297 0.786 -2.581 1.00 0.00 C ATOM 804 C LEU A 53 0.127 0.284 -2.308 1.00 0.00 C ATOM 805 O LEU A 53 0.547 -0.714 -2.896 1.00 0.00 O ATOM 806 CB LEU A 53 -1.341 1.638 -3.851 1.00 0.00 C ATOM 807 CG LEU A 53 -1.012 0.904 -5.154 1.00 0.00 C ATOM 808 CD1 LEU A 53 -2.065 -0.153 -5.456 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.903 1.894 -6.303 1.00 0.00 C ATOM 0 H LEU A 53 -2.280 2.420 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.908 -0.105 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.337 2.072 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.642 2.466 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.052 0.402 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.813 -0.663 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.097 -0.877 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.040 0.323 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.669 1.359 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.850 2.421 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.112 2.613 -6.090 1.00 0.00 H new ATOM 821 N LEU A 54 0.868 0.968 -1.429 1.00 0.00 N ATOM 822 CA LEU A 54 2.234 0.553 -1.094 1.00 0.00 C ATOM 823 C LEU A 54 2.286 -0.920 -0.655 1.00 0.00 C ATOM 824 O LEU A 54 3.296 -1.595 -0.864 1.00 0.00 O ATOM 825 CB LEU A 54 2.811 1.444 0.011 1.00 0.00 C ATOM 826 CG LEU A 54 3.516 2.723 -0.450 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.579 3.601 -1.262 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.050 3.488 0.752 1.00 0.00 C ATOM 0 H LEU A 54 0.548 1.804 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 54 2.838 0.661 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.000 1.723 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.519 0.853 0.593 1.00 0.00 H new ATOM 0 HG LEU A 54 4.352 2.440 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.106 4.502 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.239 3.054 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.719 3.878 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.549 4.396 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.223 3.753 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.760 2.864 1.294 1.00 0.00 H new ATOM 840 N GLY A 55 1.196 -1.406 -0.042 1.00 0.00 N ATOM 841 CA GLY A 55 1.134 -2.788 0.423 1.00 0.00 C ATOM 842 C GLY A 55 1.563 -3.798 -0.629 1.00 0.00 C ATOM 843 O GLY A 55 2.333 -4.712 -0.333 1.00 0.00 O ATOM 0 H GLY A 55 0.353 -0.861 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.770 -2.897 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.115 -3.013 0.737 1.00 0.00 H new ATOM 847 N LEU A 56 1.049 -3.643 -1.853 1.00 0.00 N ATOM 848 CA LEU A 56 1.380 -4.549 -2.958 1.00 0.00 C ATOM 849 C LEU A 56 2.887 -4.772 -3.064 1.00 0.00 C ATOM 850 O LEU A 56 3.345 -5.912 -3.139 1.00 0.00 O ATOM 851 CB LEU A 56 0.852 -3.997 -4.286 1.00 0.00 C ATOM 852 CG LEU A 56 -0.633 -3.617 -4.298 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.077 -3.251 -5.705 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.484 -4.752 -3.742 1.00 0.00 C ATOM 0 H LEU A 56 0.401 -2.897 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 56 0.901 -5.505 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.437 -3.116 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.025 -4.741 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.770 -2.746 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.134 -2.984 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.492 -2.404 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.924 -4.103 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.534 -4.461 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.344 -5.644 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.183 -4.963 -2.716 1.00 0.00 H new ATOM 866 N ARG A 57 3.653 -3.679 -3.073 1.00 0.00 N ATOM 867 CA ARG A 57 5.111 -3.757 -3.167 1.00 0.00 C ATOM 868 C ARG A 57 5.700 -4.565 -2.006 1.00 0.00 C ATOM 869 O ARG A 57 6.668 -5.304 -2.187 1.00 0.00 O ATOM 870 CB ARG A 57 5.721 -2.354 -3.189 1.00 0.00 C ATOM 871 CG ARG A 57 5.358 -1.543 -4.424 1.00 0.00 C ATOM 872 CD ARG A 57 5.948 -2.148 -5.688 1.00 0.00 C ATOM 873 NE ARG A 57 5.743 -1.291 -6.857 1.00 0.00 N ATOM 874 CZ ARG A 57 6.251 -1.539 -8.066 1.00 0.00 C ATOM 875 NH1 ARG A 57 6.985 -2.628 -8.280 1.00 0.00 N ATOM 876 NH2 ARG A 57 6.022 -0.695 -9.067 1.00 0.00 N ATOM 0 H ARG A 57 3.287 -2.729 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 57 5.357 -4.268 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.394 -1.812 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.806 -2.439 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.273 -1.489 -4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.719 -0.521 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.015 -2.316 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.494 -3.122 -5.869 1.00 0.00 H new ATOM 0 HE ARG A 57 5.176 -0.451 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.163 -3.281 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.369 -2.810 -9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.459 0.141 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.410 -0.883 -9.992 1.00 0.00 H new ATOM 890 N TYR A 58 5.111 -4.414 -0.817 1.00 0.00 N ATOM 891 CA TYR A 58 5.562 -5.142 0.370 1.00 0.00 C ATOM 892 C TYR A 58 5.362 -6.648 0.185 1.00 0.00 C ATOM 893 O TYR A 58 6.272 -7.442 0.425 1.00 0.00 O ATOM 894 CB TYR A 58 4.792 -4.668 1.606 1.00 0.00 C ATOM 895 CG TYR A 58 5.226 -5.337 2.892 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.265 -4.817 3.650 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.595 -6.489 3.347 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.666 -5.424 4.824 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.990 -7.102 4.521 1.00 0.00 C ATOM 900 CZ TYR A 58 6.026 -6.565 5.255 1.00 0.00 C ATOM 901 OH TYR A 58 6.422 -7.171 6.428 1.00 0.00 O ATOM 0 H TYR A 58 4.319 -3.793 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 58 6.624 -4.942 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.917 -3.590 1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.729 -4.853 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.769 -3.922 3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.783 -6.912 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.477 -5.006 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.490 -7.997 4.861 1.00 0.00 H new ATOM 0 HH TYR A 58 5.869 -7.963 6.590 1.00 0.00 H new ATOM 911 N LYS A 59 4.156 -7.018 -0.246 1.00 0.00 N ATOM 912 CA LYS A 59 3.797 -8.416 -0.479 1.00 0.00 C ATOM 913 C LYS A 59 4.415 -8.967 -1.771 1.00 0.00 C ATOM 914 O LYS A 59 4.351 -10.172 -2.021 1.00 0.00 O ATOM 915 CB LYS A 59 2.274 -8.549 -0.541 1.00 0.00 C ATOM 916 CG LYS A 59 1.578 -8.163 0.755 1.00 0.00 C ATOM 917 CD LYS A 59 2.025 -9.042 1.913 1.00 0.00 C ATOM 918 CE LYS A 59 1.439 -8.569 3.234 1.00 0.00 C ATOM 919 NZ LYS A 59 1.934 -9.373 4.385 1.00 0.00 N ATOM 0 H LYS A 59 3.403 -6.359 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 59 4.195 -9.001 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.895 -7.922 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.017 -9.579 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.791 -7.119 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.499 -8.248 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.720 -10.072 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.113 -9.038 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.694 -7.520 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.352 -8.630 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.510 -9.017 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.669 -10.370 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.969 -9.295 4.443 1.00 0.00 H new ATOM 933 N LYS A 60 5.006 -8.085 -2.588 1.00 0.00 N ATOM 934 CA LYS A 60 5.629 -8.487 -3.850 1.00 0.00 C ATOM 935 C LYS A 60 4.575 -8.984 -4.841 1.00 0.00 C ATOM 936 O LYS A 60 4.541 -10.166 -5.193 1.00 0.00 O ATOM 937 CB LYS A 60 6.698 -9.566 -3.614 1.00 0.00 C ATOM 938 CG LYS A 60 7.702 -9.212 -2.527 1.00 0.00 C ATOM 939 CD LYS A 60 8.468 -7.939 -2.855 1.00 0.00 C ATOM 940 CE LYS A 60 9.426 -7.562 -1.735 1.00 0.00 C ATOM 941 NZ LYS A 60 10.156 -6.297 -2.028 1.00 0.00 N ATOM 0 H LYS A 60 5.064 -7.085 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 60 6.117 -7.611 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.204 -10.501 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.234 -9.743 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.181 -9.088 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.404 -10.036 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.026 -8.077 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.765 -7.123 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.870 -7.453 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.144 -8.368 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.798 -6.076 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.707 -6.409 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.473 -5.521 -2.146 1.00 0.00 H new ATOM 955 N LEU A 61 3.711 -8.067 -5.277 1.00 0.00 N ATOM 956 CA LEU A 61 2.649 -8.406 -6.230 1.00 0.00 C ATOM 957 C LEU A 61 1.941 -7.165 -6.788 1.00 0.00 C ATOM 958 O LEU A 61 0.777 -7.239 -7.174 1.00 0.00 O ATOM 959 CB LEU A 61 1.628 -9.345 -5.569 1.00 0.00 C ATOM 960 CG LEU A 61 1.286 -9.028 -4.106 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.656 -7.649 -3.980 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.359 -10.090 -3.535 1.00 0.00 C ATOM 0 H LEU A 61 3.723 -7.089 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 61 3.122 -8.911 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.708 -9.320 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.011 -10.364 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 61 2.213 -9.030 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.423 -7.449 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.353 -6.896 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.261 -7.613 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.126 -9.850 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.563 -10.119 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.848 -11.063 -3.582 1.00 0.00 H new ATOM 974 N TYR A 62 2.649 -6.038 -6.868 1.00 0.00 N ATOM 975 CA TYR A 62 2.064 -4.800 -7.390 1.00 0.00 C ATOM 976 C TYR A 62 1.673 -4.930 -8.870 1.00 0.00 C ATOM 977 O TYR A 62 0.819 -4.186 -9.357 1.00 0.00 O ATOM 978 CB TYR A 62 3.046 -3.635 -7.203 1.00 0.00 C ATOM 979 CG TYR A 62 2.629 -2.361 -7.908 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.710 -1.493 -7.334 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.154 -2.033 -9.153 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.324 -0.335 -7.980 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.774 -0.875 -9.804 1.00 0.00 C ATOM 984 CZ TYR A 62 1.860 -0.029 -9.214 1.00 0.00 C ATOM 985 OH TYR A 62 1.478 1.124 -9.863 1.00 0.00 O ATOM 0 H TYR A 62 3.624 -5.955 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 62 1.153 -4.602 -6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.153 -3.431 -6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.027 -3.937 -7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.290 -1.727 -6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.870 -2.694 -9.619 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.606 0.328 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.191 -0.634 -10.771 1.00 0.00 H new ATOM 0 HH TYR A 62 1.950 1.189 -10.719 1.00 0.00 H new ATOM 995 N ASN A 63 2.291 -5.880 -9.575 1.00 0.00 N ATOM 996 CA ASN A 63 2.021 -6.090 -10.997 1.00 0.00 C ATOM 997 C ASN A 63 0.577 -6.533 -11.265 1.00 0.00 C ATOM 998 O ASN A 63 -0.173 -5.822 -11.937 1.00 0.00 O ATOM 999 CB ASN A 63 3.000 -7.120 -11.573 1.00 0.00 C ATOM 1000 CG ASN A 63 2.837 -7.308 -13.071 1.00 0.00 C ATOM 1001 OD1 ASN A 63 2.078 -8.166 -13.520 1.00 0.00 O ATOM 1002 ND2 ASN A 63 3.550 -6.503 -13.853 1.00 0.00 N ATOM 0 H ASN A 63 2.984 -6.517 -9.182 1.00 0.00 H new ATOM 0 HA ASN A 63 2.160 -5.129 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.021 -6.804 -11.359 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.851 -8.077 -11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.479 -6.584 -14.867 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.167 -5.805 -13.439 1.00 0.00 H new ATOM 1009 N GLN A 64 0.187 -7.700 -10.740 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.162 -8.227 -10.971 1.00 0.00 C ATOM 1011 C GLN A 64 -2.147 -7.842 -9.858 1.00 0.00 C ATOM 1012 O GLN A 64 -3.352 -8.026 -10.025 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.108 -9.750 -11.132 1.00 0.00 C ATOM 1014 CG GLN A 64 -2.396 -10.359 -11.666 1.00 0.00 C ATOM 1015 CD GLN A 64 -2.259 -11.837 -11.989 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -1.480 -12.554 -11.360 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -3.019 -12.302 -12.975 1.00 0.00 N ATOM 0 H GLN A 64 0.780 -8.292 -10.158 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.533 -7.773 -11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.290 -10.006 -11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.878 -10.200 -10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.188 -10.225 -10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.701 -9.822 -12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.651 -11.674 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.970 -13.287 -13.236 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.664 -7.312 -8.733 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.560 -6.935 -7.635 1.00 0.00 C ATOM 1028 C ALA A 65 -3.448 -5.747 -8.009 1.00 0.00 C ATOM 1029 O ALA A 65 -4.632 -5.717 -7.668 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.766 -6.621 -6.379 1.00 0.00 C ATOM 0 H ALA A 65 -0.675 -7.136 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.210 -7.788 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.449 -6.344 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.194 -7.500 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.084 -5.794 -6.577 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.868 -4.773 -8.711 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.598 -3.578 -9.133 1.00 0.00 C ATOM 1038 C ARG A 66 -4.661 -3.900 -10.190 1.00 0.00 C ATOM 1039 O ARG A 66 -5.699 -3.238 -10.250 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.616 -2.532 -9.672 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.280 -1.270 -10.197 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.252 -0.197 -10.522 1.00 0.00 C ATOM 1043 NE ARG A 66 -2.816 0.877 -11.341 1.00 0.00 N ATOM 1044 CZ ARG A 66 -2.203 2.040 -11.575 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.001 2.288 -11.059 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -2.795 2.959 -12.331 1.00 0.00 N ATOM 0 H ARG A 66 -1.890 -4.789 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.116 -3.179 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.920 -2.260 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.028 -2.980 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.857 -1.506 -11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.982 -0.891 -9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.861 0.222 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.411 -0.649 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.734 0.728 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.540 1.587 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.541 3.179 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.715 2.775 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.329 3.848 -12.511 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.401 -4.915 -11.019 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.342 -5.307 -12.073 1.00 0.00 C ATOM 1062 C VAL A 67 -6.351 -6.349 -11.582 1.00 0.00 C ATOM 1063 O VAL A 67 -7.536 -6.272 -11.910 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.612 -5.850 -13.324 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.709 -4.782 -13.922 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.813 -7.106 -12.996 1.00 0.00 C ATOM 0 H VAL A 67 -3.551 -5.478 -10.982 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.882 -4.400 -12.347 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.368 -6.118 -14.062 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.204 -5.183 -14.801 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.308 -3.918 -14.210 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.966 -4.478 -13.184 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.312 -7.463 -13.895 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.069 -6.875 -12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.486 -7.879 -12.624 1.00 0.00 H new ATOM 1076 N LYS A 68 -5.878 -7.319 -10.793 1.00 0.00 N ATOM 1077 CA LYS A 68 -6.740 -8.377 -10.261 1.00 0.00 C ATOM 1078 C LYS A 68 -7.841 -7.806 -9.364 1.00 0.00 C ATOM 1079 O LYS A 68 -8.977 -8.281 -9.393 1.00 0.00 O ATOM 1080 CB LYS A 68 -5.905 -9.403 -9.485 1.00 0.00 C ATOM 1081 CG LYS A 68 -6.733 -10.482 -8.805 1.00 0.00 C ATOM 1082 CD LYS A 68 -5.856 -11.592 -8.242 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.802 -12.795 -9.172 1.00 0.00 C ATOM 1084 NZ LYS A 68 -5.132 -12.479 -10.464 1.00 0.00 N ATOM 0 H LYS A 68 -4.901 -7.393 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.220 -8.871 -11.106 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.201 -9.876 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.315 -8.882 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.320 -10.038 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.440 -10.903 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.847 -11.212 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.240 -11.901 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.271 -13.609 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.815 -13.147 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.890 -13.363 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.773 -11.917 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.264 -11.936 -10.281 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.498 -6.792 -8.569 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.460 -6.162 -7.667 1.00 0.00 C ATOM 1100 C TYR A 69 -8.744 -4.720 -8.085 1.00 0.00 C ATOM 1101 O TYR A 69 -7.970 -4.117 -8.830 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.940 -6.206 -6.229 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.875 -7.604 -5.657 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.770 -8.417 -5.882 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.920 -8.114 -4.899 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.710 -9.697 -5.365 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.867 -9.392 -4.379 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.760 -10.180 -4.616 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.701 -11.455 -4.099 1.00 0.00 O ATOM 0 H TYR A 69 -6.561 -6.390 -8.532 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.395 -6.719 -7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.945 -5.761 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.584 -5.593 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.945 -8.042 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.789 -7.501 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.844 -10.316 -5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.688 -9.773 -3.790 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.210 -11.493 -3.263 1.00 0.00 H new ATOM 1119 N SER A 70 -9.858 -4.172 -7.596 1.00 0.00 N ATOM 1120 CA SER A 70 -10.250 -2.804 -7.924 1.00 0.00 C ATOM 1121 C SER A 70 -9.545 -1.796 -7.015 1.00 0.00 C ATOM 1122 O SER A 70 -10.073 -1.407 -5.972 1.00 0.00 O ATOM 1123 CB SER A 70 -11.770 -2.644 -7.818 1.00 0.00 C ATOM 1124 OG SER A 70 -12.188 -1.378 -8.302 1.00 0.00 O ATOM 0 H SER A 70 -10.503 -4.656 -6.972 1.00 0.00 H new ATOM 0 HA SER A 70 -9.946 -2.604 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.262 -3.434 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.079 -2.759 -6.779 1.00 0.00 H new ATOM 0 HG SER A 70 -13.162 -1.303 -8.224 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.339 -1.390 -7.417 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.552 -0.422 -6.655 1.00 0.00 C ATOM 1132 C LEU A 71 -7.498 0.913 -7.395 1.00 0.00 C ATOM 1133 O LEU A 71 -8.138 1.883 -6.985 1.00 0.00 O ATOM 1134 CB LEU A 71 -6.133 -0.954 -6.409 1.00 0.00 C ATOM 1135 CG LEU A 71 -6.006 -2.007 -5.300 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.878 -3.218 -5.596 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.554 -2.426 -5.129 1.00 0.00 C ATOM 0 H LEU A 71 -7.886 -1.719 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.033 -0.268 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.758 -1.383 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.486 -0.112 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.352 -1.561 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.770 -3.949 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.921 -2.907 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.570 -3.666 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.482 -3.173 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.185 -2.849 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.953 -1.556 -4.862 1.00 0.00 H new