USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 611 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 39 TYR OH : rot 121:sc= -5.46! USER MOD Set 1.2: A 80 GLN : amide:sc= -0.285 K(o=-21,f=-24!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= -15.2! C(o=-21!,f=-22!) USER MOD Set 2.1: A 22 MET CE :methyl 161:sc= -0.825 (180deg=-1.56) USER MOD Set 2.2: A 69 MET CE :methyl -110:sc=-0.00414 (180deg=-0.0849) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 40:sc= -1.47 USER MOD Single : A 30 GLN : amide:sc= -0.0815 K(o=-0.082,f=-1.5!) USER MOD Single : A 31 THR OG1 : rot -156:sc= -2.77! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 33 GLN : amide:sc= -0.389 K(o=-0.39,f=-3.8!) USER MOD Single : A 42 GLN : amide:sc= -0.235 K(o=-0.24,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 80:sc= -2.83! USER MOD Single : A 52 MET CE :methyl -115:sc= -5.28! (180deg=-9.2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.494) USER MOD Single : A 60 SER OG : rot 165:sc= -0.53 USER MOD Single : A 67 THR OG1 : rot -29:sc= 0.569 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 59:sc= 0.7 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 20 0.522 12.186 1.006 1.00 0.00 N ATOM 2 CA CYS A 20 -0.736 12.201 0.204 1.00 0.00 C ATOM 3 C CYS A 20 -0.530 11.454 -1.115 1.00 0.00 C ATOM 4 O CYS A 20 -0.412 12.051 -2.167 1.00 0.00 O ATOM 5 CB CYS A 20 -1.024 13.680 -0.060 1.00 0.00 C ATOM 6 SG CYS A 20 -1.983 14.363 1.315 1.00 0.00 S ATOM 0 HA CYS A 20 -1.560 11.712 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.089 14.229 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.575 13.793 -0.993 1.00 0.00 H new ATOM 0 HG CYS A 20 -2.226 15.620 1.092 1.00 0.00 H new ATOM 14 N LYS A 21 -0.482 10.152 -1.067 1.00 0.00 N ATOM 15 CA LYS A 21 -0.279 9.369 -2.319 1.00 0.00 C ATOM 16 C LYS A 21 -1.250 8.188 -2.371 1.00 0.00 C ATOM 17 O LYS A 21 -1.679 7.680 -1.355 1.00 0.00 O ATOM 18 CB LYS A 21 1.165 8.873 -2.241 1.00 0.00 C ATOM 19 CG LYS A 21 1.266 7.755 -1.198 1.00 0.00 C ATOM 20 CD LYS A 21 2.708 7.652 -0.699 1.00 0.00 C ATOM 21 CE LYS A 21 2.756 7.977 0.796 1.00 0.00 C ATOM 22 NZ LYS A 21 4.155 8.419 1.047 1.00 0.00 N ATOM 0 H LYS A 21 -0.574 9.596 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.460 9.965 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.488 8.506 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.829 9.695 -1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.595 7.960 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.952 6.807 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.094 6.648 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.346 8.341 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.042 8.760 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.503 7.104 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.268 8.660 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.811 7.651 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.365 9.255 0.465 1.00 0.00 H new ATOM 36 N MET A 22 -1.595 7.747 -3.547 1.00 0.00 N ATOM 37 CA MET A 22 -2.533 6.596 -3.660 1.00 0.00 C ATOM 38 C MET A 22 -1.819 5.306 -3.269 1.00 0.00 C ATOM 39 O MET A 22 -0.700 5.328 -2.793 1.00 0.00 O ATOM 40 CB MET A 22 -2.945 6.558 -5.130 1.00 0.00 C ATOM 41 CG MET A 22 -4.004 7.627 -5.379 1.00 0.00 C ATOM 42 SD MET A 22 -3.219 9.259 -5.435 1.00 0.00 S ATOM 43 CE MET A 22 -4.446 10.146 -4.442 1.00 0.00 C ATOM 0 H MET A 22 -1.269 8.132 -4.433 1.00 0.00 H new ATOM 0 HA MET A 22 -3.397 6.698 -3.003 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.078 6.731 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 22 -3.337 5.574 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.521 7.429 -6.318 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.755 7.600 -4.589 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.009 11.071 -4.065 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.314 10.379 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.755 9.523 -3.603 1.00 0.00 H new ATOM 53 N PHE A 23 -2.445 4.180 -3.460 1.00 0.00 N ATOM 54 CA PHE A 23 -1.776 2.904 -3.088 1.00 0.00 C ATOM 55 C PHE A 23 -2.273 1.768 -3.980 1.00 0.00 C ATOM 56 O PHE A 23 -3.419 1.729 -4.376 1.00 0.00 O ATOM 57 CB PHE A 23 -2.167 2.666 -1.629 1.00 0.00 C ATOM 58 CG PHE A 23 -1.544 1.379 -1.136 1.00 0.00 C ATOM 59 CD1 PHE A 23 -0.309 0.960 -1.644 1.00 0.00 C ATOM 60 CD2 PHE A 23 -2.204 0.604 -0.175 1.00 0.00 C ATOM 61 CE1 PHE A 23 0.266 -0.233 -1.192 1.00 0.00 C ATOM 62 CE2 PHE A 23 -1.628 -0.589 0.279 1.00 0.00 C ATOM 63 CZ PHE A 23 -0.394 -1.007 -0.230 1.00 0.00 C ATOM 0 H PHE A 23 -3.381 4.087 -3.854 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.694 2.948 -3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.834 3.501 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.252 2.614 -1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.201 1.558 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.158 0.926 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.218 -0.557 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.136 -1.186 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.050 -1.927 0.119 1.00 0.00 H new ATOM 73 N ILE A 24 -1.416 0.843 -4.299 1.00 0.00 N ATOM 74 CA ILE A 24 -1.828 -0.296 -5.161 1.00 0.00 C ATOM 75 C ILE A 24 -1.657 -1.601 -4.375 1.00 0.00 C ATOM 76 O ILE A 24 -0.608 -1.868 -3.827 1.00 0.00 O ATOM 77 CB ILE A 24 -0.882 -0.229 -6.361 1.00 0.00 C ATOM 78 CG1 ILE A 24 -0.786 1.223 -6.848 1.00 0.00 C ATOM 79 CG2 ILE A 24 -1.424 -1.103 -7.489 1.00 0.00 C ATOM 80 CD1 ILE A 24 -2.189 1.759 -7.139 1.00 0.00 C ATOM 0 H ILE A 24 -0.442 0.827 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.870 -0.253 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 24 0.105 -0.586 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.299 1.840 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.171 1.276 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.749 -1.054 -8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.501 -2.135 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.410 -0.745 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.120 2.790 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.659 1.148 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.789 1.721 -6.230 1.00 0.00 H new ATOM 92 N GLY A 25 -2.688 -2.401 -4.285 1.00 0.00 N ATOM 93 CA GLY A 25 -2.580 -3.665 -3.496 1.00 0.00 C ATOM 94 C GLY A 25 -2.590 -4.892 -4.411 1.00 0.00 C ATOM 95 O GLY A 25 -3.033 -4.837 -5.541 1.00 0.00 O ATOM 0 H GLY A 25 -3.595 -2.235 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.661 -3.653 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.408 -3.728 -2.790 1.00 0.00 H new ATOM 99 N GLY A 26 -2.101 -6.002 -3.918 1.00 0.00 N ATOM 100 CA GLY A 26 -2.076 -7.247 -4.739 1.00 0.00 C ATOM 101 C GLY A 26 -1.364 -6.960 -6.052 1.00 0.00 C ATOM 102 O GLY A 26 -1.771 -7.409 -7.103 1.00 0.00 O ATOM 0 H GLY A 26 -1.717 -6.098 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.564 -8.044 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.092 -7.593 -4.929 1.00 0.00 H new ATOM 106 N LEU A 27 -0.307 -6.202 -5.996 1.00 0.00 N ATOM 107 CA LEU A 27 0.433 -5.859 -7.235 1.00 0.00 C ATOM 108 C LEU A 27 1.454 -6.948 -7.582 1.00 0.00 C ATOM 109 O LEU A 27 2.060 -7.553 -6.720 1.00 0.00 O ATOM 110 CB LEU A 27 1.071 -4.490 -6.931 1.00 0.00 C ATOM 111 CG LEU A 27 2.597 -4.543 -7.013 1.00 0.00 C ATOM 112 CD1 LEU A 27 3.142 -3.113 -7.067 1.00 0.00 C ATOM 113 CD2 LEU A 27 3.149 -5.252 -5.776 1.00 0.00 C ATOM 0 H LEU A 27 0.077 -5.804 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.204 -5.801 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.695 -3.749 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.772 -4.163 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 27 2.901 -5.088 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.230 -3.140 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.744 -2.605 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.840 -2.575 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.237 -5.290 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.852 -4.706 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.752 -6.266 -5.731 1.00 0.00 H new ATOM 125 N SER A 28 1.623 -7.206 -8.852 1.00 0.00 N ATOM 126 CA SER A 28 2.578 -8.262 -9.293 1.00 0.00 C ATOM 127 C SER A 28 3.843 -8.244 -8.440 1.00 0.00 C ATOM 128 O SER A 28 4.410 -7.206 -8.170 1.00 0.00 O ATOM 129 CB SER A 28 2.906 -7.911 -10.744 1.00 0.00 C ATOM 130 OG SER A 28 2.354 -8.901 -11.603 1.00 0.00 O ATOM 0 H SER A 28 1.136 -6.726 -9.608 1.00 0.00 H new ATOM 0 HA SER A 28 2.154 -9.261 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.501 -6.930 -10.993 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.986 -7.855 -10.882 1.00 0.00 H new ATOM 0 HG SER A 28 1.468 -9.161 -11.275 1.00 0.00 H new ATOM 136 N TRP A 29 4.292 -9.392 -8.017 1.00 0.00 N ATOM 137 CA TRP A 29 5.526 -9.442 -7.187 1.00 0.00 C ATOM 138 C TRP A 29 6.740 -9.048 -8.032 1.00 0.00 C ATOM 139 O TRP A 29 7.647 -8.384 -7.570 1.00 0.00 O ATOM 140 CB TRP A 29 5.633 -10.899 -6.719 1.00 0.00 C ATOM 141 CG TRP A 29 6.166 -11.754 -7.827 1.00 0.00 C ATOM 142 CD1 TRP A 29 5.409 -12.388 -8.752 1.00 0.00 C ATOM 143 CD2 TRP A 29 7.552 -12.077 -8.140 1.00 0.00 C ATOM 144 NE1 TRP A 29 6.243 -13.080 -9.612 1.00 0.00 N ATOM 145 CE2 TRP A 29 7.572 -12.919 -9.277 1.00 0.00 C ATOM 146 CE3 TRP A 29 8.782 -11.724 -7.554 1.00 0.00 C ATOM 147 CZ2 TRP A 29 8.770 -13.396 -9.813 1.00 0.00 C ATOM 148 CZ3 TRP A 29 9.989 -12.202 -8.091 1.00 0.00 C ATOM 149 CH2 TRP A 29 9.982 -13.035 -9.219 1.00 0.00 C ATOM 0 H TRP A 29 3.859 -10.295 -8.210 1.00 0.00 H new ATOM 0 HA TRP A 29 5.491 -8.752 -6.344 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.289 -10.964 -5.851 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.654 -11.262 -6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.331 -12.359 -8.810 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.915 -13.641 -10.398 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.798 -11.082 -6.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.760 -14.039 -10.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.927 -11.926 -7.633 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.913 -13.397 -9.629 1.00 0.00 H new ATOM 160 N GLN A 30 6.762 -9.461 -9.269 1.00 0.00 N ATOM 161 CA GLN A 30 7.906 -9.128 -10.153 1.00 0.00 C ATOM 162 C GLN A 30 7.843 -7.664 -10.590 1.00 0.00 C ATOM 163 O GLN A 30 8.684 -7.188 -11.325 1.00 0.00 O ATOM 164 CB GLN A 30 7.757 -10.057 -11.359 1.00 0.00 C ATOM 165 CG GLN A 30 6.608 -9.565 -12.243 1.00 0.00 C ATOM 166 CD GLN A 30 6.398 -10.542 -13.401 1.00 0.00 C ATOM 167 OE1 GLN A 30 6.832 -11.675 -13.341 1.00 0.00 O ATOM 168 NE2 GLN A 30 5.744 -10.150 -14.460 1.00 0.00 N ATOM 0 H GLN A 30 6.029 -10.019 -9.706 1.00 0.00 H new ATOM 0 HA GLN A 30 8.864 -9.260 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.685 -10.081 -11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.562 -11.076 -11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.694 -9.480 -11.655 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.832 -8.571 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.379 -9.199 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.598 -10.795 -15.237 1.00 0.00 H new ATOM 177 N THR A 31 6.851 -6.952 -10.146 1.00 0.00 N ATOM 178 CA THR A 31 6.722 -5.530 -10.531 1.00 0.00 C ATOM 179 C THR A 31 7.833 -4.703 -9.880 1.00 0.00 C ATOM 180 O THR A 31 8.352 -5.054 -8.838 1.00 0.00 O ATOM 181 CB THR A 31 5.353 -5.113 -9.997 1.00 0.00 C ATOM 182 OG1 THR A 31 4.334 -5.644 -10.835 1.00 0.00 O ATOM 183 CG2 THR A 31 5.257 -3.594 -9.972 1.00 0.00 C ATOM 0 H THR A 31 6.119 -7.300 -9.527 1.00 0.00 H new ATOM 0 HA THR A 31 6.808 -5.376 -11.607 1.00 0.00 H new ATOM 0 HB THR A 31 5.225 -5.498 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.523 -5.101 -10.748 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.280 -3.297 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.036 -3.191 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.386 -3.205 -10.982 1.00 0.00 H new ATOM 191 N THR A 32 8.196 -3.602 -10.478 1.00 0.00 N ATOM 192 CA THR A 32 9.264 -2.750 -9.883 1.00 0.00 C ATOM 193 C THR A 32 8.731 -1.332 -9.670 1.00 0.00 C ATOM 194 O THR A 32 7.562 -1.068 -9.861 1.00 0.00 O ATOM 195 CB THR A 32 10.407 -2.761 -10.901 1.00 0.00 C ATOM 196 OG1 THR A 32 11.596 -2.297 -10.278 1.00 0.00 O ATOM 197 CG2 THR A 32 10.059 -1.855 -12.082 1.00 0.00 C ATOM 0 H THR A 32 7.800 -3.256 -11.352 1.00 0.00 H new ATOM 0 HA THR A 32 9.598 -3.115 -8.912 1.00 0.00 H new ATOM 0 HB THR A 32 10.558 -3.778 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.330 -2.305 -10.927 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.876 -1.867 -12.803 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.148 -2.215 -12.560 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.904 -0.836 -11.726 1.00 0.00 H new ATOM 205 N GLN A 33 9.569 -0.419 -9.263 1.00 0.00 N ATOM 206 CA GLN A 33 9.094 0.969 -9.026 1.00 0.00 C ATOM 207 C GLN A 33 8.801 1.675 -10.345 1.00 0.00 C ATOM 208 O GLN A 33 7.660 1.885 -10.696 1.00 0.00 O ATOM 209 CB GLN A 33 10.228 1.670 -8.270 1.00 0.00 C ATOM 210 CG GLN A 33 10.801 0.725 -7.213 1.00 0.00 C ATOM 211 CD GLN A 33 10.937 1.466 -5.882 1.00 0.00 C ATOM 212 OE1 GLN A 33 10.646 2.644 -5.797 1.00 0.00 O ATOM 213 NE2 GLN A 33 11.371 0.825 -4.831 1.00 0.00 N ATOM 0 H GLN A 33 10.561 -0.576 -9.085 1.00 0.00 H new ATOM 0 HA GLN A 33 8.165 0.983 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.011 1.971 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.856 2.579 -7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.150 -0.141 -7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.773 0.351 -7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.615 -0.163 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.466 1.312 -3.940 1.00 0.00 H new ATOM 222 N GLU A 34 9.805 2.049 -11.084 1.00 0.00 N ATOM 223 CA GLU A 34 9.523 2.733 -12.372 1.00 0.00 C ATOM 224 C GLU A 34 8.475 1.935 -13.133 1.00 0.00 C ATOM 225 O GLU A 34 7.473 2.463 -13.571 1.00 0.00 O ATOM 226 CB GLU A 34 10.849 2.764 -13.124 1.00 0.00 C ATOM 227 CG GLU A 34 11.054 4.164 -13.697 1.00 0.00 C ATOM 228 CD GLU A 34 11.542 4.059 -15.143 1.00 0.00 C ATOM 229 OE1 GLU A 34 10.705 3.946 -16.024 1.00 0.00 O ATOM 230 OE2 GLU A 34 12.744 4.094 -15.345 1.00 0.00 O ATOM 0 H GLU A 34 10.790 1.914 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 34 9.135 3.743 -12.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.669 2.506 -12.454 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.847 2.025 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.120 4.725 -13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.780 4.711 -13.096 1.00 0.00 H new ATOM 237 N GLY A 35 8.683 0.656 -13.266 1.00 0.00 N ATOM 238 CA GLY A 35 7.678 -0.182 -13.968 1.00 0.00 C ATOM 239 C GLY A 35 6.312 0.134 -13.374 1.00 0.00 C ATOM 240 O GLY A 35 5.299 0.064 -14.044 1.00 0.00 O ATOM 0 H GLY A 35 9.503 0.158 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.687 0.027 -15.038 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.911 -1.240 -13.848 1.00 0.00 H new ATOM 244 N LEU A 36 6.276 0.517 -12.124 1.00 0.00 N ATOM 245 CA LEU A 36 4.988 0.872 -11.506 1.00 0.00 C ATOM 246 C LEU A 36 4.669 2.313 -11.911 1.00 0.00 C ATOM 247 O LEU A 36 3.542 2.652 -12.210 1.00 0.00 O ATOM 248 CB LEU A 36 5.233 0.705 -10.000 1.00 0.00 C ATOM 249 CG LEU A 36 4.732 1.920 -9.228 1.00 0.00 C ATOM 250 CD1 LEU A 36 3.246 2.114 -9.516 1.00 0.00 C ATOM 251 CD2 LEU A 36 4.949 1.679 -7.738 1.00 0.00 C ATOM 0 H LEU A 36 7.089 0.596 -11.513 1.00 0.00 H new ATOM 0 HA LEU A 36 4.137 0.263 -11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.727 -0.192 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.298 0.565 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 36 5.275 2.815 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.879 2.982 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.100 2.272 -10.585 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.696 1.227 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.594 2.542 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.397 0.792 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.011 1.531 -7.544 1.00 0.00 H new ATOM 263 N ARG A 37 5.669 3.154 -11.963 1.00 0.00 N ATOM 264 CA ARG A 37 5.429 4.551 -12.392 1.00 0.00 C ATOM 265 C ARG A 37 4.836 4.512 -13.788 1.00 0.00 C ATOM 266 O ARG A 37 4.091 5.378 -14.203 1.00 0.00 O ATOM 267 CB ARG A 37 6.805 5.214 -12.397 1.00 0.00 C ATOM 268 CG ARG A 37 7.480 4.974 -11.049 1.00 0.00 C ATOM 269 CD ARG A 37 8.665 5.926 -10.893 1.00 0.00 C ATOM 270 NE ARG A 37 8.071 7.206 -10.414 1.00 0.00 N ATOM 271 CZ ARG A 37 8.760 7.998 -9.637 1.00 0.00 C ATOM 272 NH1 ARG A 37 9.198 7.565 -8.487 1.00 0.00 N ATOM 273 NH2 ARG A 37 9.012 9.223 -10.011 1.00 0.00 N ATOM 0 H ARG A 37 6.635 2.929 -11.727 1.00 0.00 H new ATOM 0 HA ARG A 37 4.743 5.097 -11.745 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.416 4.805 -13.202 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.706 6.283 -12.583 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.766 5.130 -10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.819 3.940 -10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.392 5.537 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.188 6.063 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 37 7.125 7.464 -10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.002 6.608 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.736 8.184 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.671 9.562 -10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.550 9.841 -9.404 1.00 0.00 H new ATOM 287 N GLU A 38 5.161 3.479 -14.496 1.00 0.00 N ATOM 288 CA GLU A 38 4.634 3.296 -15.868 1.00 0.00 C ATOM 289 C GLU A 38 3.318 2.531 -15.782 1.00 0.00 C ATOM 290 O GLU A 38 2.495 2.569 -16.674 1.00 0.00 O ATOM 291 CB GLU A 38 5.682 2.459 -16.614 1.00 0.00 C ATOM 292 CG GLU A 38 7.088 2.850 -16.163 1.00 0.00 C ATOM 293 CD GLU A 38 7.957 3.142 -17.387 1.00 0.00 C ATOM 294 OE1 GLU A 38 8.281 2.203 -18.096 1.00 0.00 O ATOM 295 OE2 GLU A 38 8.282 4.299 -17.596 1.00 0.00 O ATOM 0 H GLU A 38 5.783 2.737 -14.176 1.00 0.00 H new ATOM 0 HA GLU A 38 4.454 4.243 -16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.513 1.399 -16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.582 2.611 -17.689 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.043 3.728 -15.519 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.529 2.045 -15.575 1.00 0.00 H new ATOM 302 N TYR A 39 3.126 1.833 -14.698 1.00 0.00 N ATOM 303 CA TYR A 39 1.876 1.052 -14.518 1.00 0.00 C ATOM 304 C TYR A 39 0.688 2.002 -14.363 1.00 0.00 C ATOM 305 O TYR A 39 -0.428 1.688 -14.723 1.00 0.00 O ATOM 306 CB TYR A 39 2.088 0.245 -13.237 1.00 0.00 C ATOM 307 CG TYR A 39 0.978 -0.769 -13.094 1.00 0.00 C ATOM 308 CD1 TYR A 39 -0.243 -0.394 -12.521 1.00 0.00 C ATOM 309 CD2 TYR A 39 1.169 -2.083 -13.536 1.00 0.00 C ATOM 310 CE1 TYR A 39 -1.274 -1.332 -12.390 1.00 0.00 C ATOM 311 CE2 TYR A 39 0.139 -3.022 -13.406 1.00 0.00 C ATOM 312 CZ TYR A 39 -1.082 -2.648 -12.833 1.00 0.00 C ATOM 313 OH TYR A 39 -2.096 -3.574 -12.710 1.00 0.00 O ATOM 0 H TYR A 39 3.788 1.771 -13.924 1.00 0.00 H new ATOM 0 HA TYR A 39 1.664 0.407 -15.370 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.054 -0.259 -13.267 1.00 0.00 H new ATOM 0 HB3 TYR A 39 2.102 0.910 -12.373 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.390 0.620 -12.180 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.111 -2.373 -13.977 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.216 -1.042 -11.948 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.287 -4.036 -13.748 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.330 -3.922 -13.596 1.00 0.00 H new ATOM 323 N PHE A 40 0.934 3.167 -13.836 1.00 0.00 N ATOM 324 CA PHE A 40 -0.159 4.159 -13.658 1.00 0.00 C ATOM 325 C PHE A 40 0.150 5.398 -14.491 1.00 0.00 C ATOM 326 O PHE A 40 -0.719 6.189 -14.798 1.00 0.00 O ATOM 327 CB PHE A 40 -0.161 4.493 -12.167 1.00 0.00 C ATOM 328 CG PHE A 40 -0.888 3.405 -11.413 1.00 0.00 C ATOM 329 CD1 PHE A 40 -2.288 3.368 -11.411 1.00 0.00 C ATOM 330 CD2 PHE A 40 -0.162 2.428 -10.721 1.00 0.00 C ATOM 331 CE1 PHE A 40 -2.961 2.356 -10.719 1.00 0.00 C ATOM 332 CE2 PHE A 40 -0.835 1.415 -10.028 1.00 0.00 C ATOM 333 CZ PHE A 40 -2.235 1.379 -10.027 1.00 0.00 C ATOM 0 H PHE A 40 1.853 3.476 -13.519 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.130 3.782 -13.979 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.862 4.584 -11.801 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.646 5.455 -11.999 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.848 4.122 -11.944 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.918 2.456 -10.722 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.041 2.328 -10.718 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.275 0.661 -9.494 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.755 0.598 -9.492 1.00 0.00 H new ATOM 343 N GLY A 41 1.387 5.562 -14.874 1.00 0.00 N ATOM 344 CA GLY A 41 1.753 6.740 -15.704 1.00 0.00 C ATOM 345 C GLY A 41 1.151 6.560 -17.096 1.00 0.00 C ATOM 346 O GLY A 41 1.107 7.477 -17.891 1.00 0.00 O ATOM 0 H GLY A 41 2.157 4.932 -14.648 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.380 7.656 -15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.837 6.835 -15.770 1.00 0.00 H new ATOM 350 N GLN A 42 0.682 5.377 -17.393 1.00 0.00 N ATOM 351 CA GLN A 42 0.077 5.125 -18.725 1.00 0.00 C ATOM 352 C GLN A 42 -1.154 6.013 -18.908 1.00 0.00 C ATOM 353 O GLN A 42 -1.320 6.666 -19.919 1.00 0.00 O ATOM 354 CB GLN A 42 -0.316 3.648 -18.709 1.00 0.00 C ATOM 355 CG GLN A 42 -1.266 3.357 -19.873 1.00 0.00 C ATOM 356 CD GLN A 42 -1.148 1.885 -20.271 1.00 0.00 C ATOM 357 OE1 GLN A 42 -0.092 1.296 -20.156 1.00 0.00 O ATOM 358 NE2 GLN A 42 -2.196 1.261 -20.736 1.00 0.00 N ATOM 0 H GLN A 42 0.694 4.574 -16.765 1.00 0.00 H new ATOM 0 HA GLN A 42 0.759 5.350 -19.545 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.574 3.024 -18.788 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.797 3.399 -17.763 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.292 3.586 -19.585 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.024 3.995 -20.723 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.083 1.756 -20.833 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.128 0.279 -21.003 1.00 0.00 H new ATOM 367 N PHE A 43 -2.013 6.044 -17.928 1.00 0.00 N ATOM 368 CA PHE A 43 -3.232 6.896 -18.033 1.00 0.00 C ATOM 369 C PHE A 43 -3.241 7.934 -16.908 1.00 0.00 C ATOM 370 O PHE A 43 -4.207 8.645 -16.713 1.00 0.00 O ATOM 371 CB PHE A 43 -4.414 5.935 -17.892 1.00 0.00 C ATOM 372 CG PHE A 43 -4.204 5.037 -16.697 1.00 0.00 C ATOM 373 CD1 PHE A 43 -4.265 5.568 -15.404 1.00 0.00 C ATOM 374 CD2 PHE A 43 -3.956 3.671 -16.881 1.00 0.00 C ATOM 375 CE1 PHE A 43 -4.077 4.735 -14.296 1.00 0.00 C ATOM 376 CE2 PHE A 43 -3.770 2.837 -15.772 1.00 0.00 C ATOM 377 CZ PHE A 43 -3.831 3.370 -14.479 1.00 0.00 C ATOM 0 H PHE A 43 -1.925 5.517 -17.059 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.273 7.443 -18.975 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.340 6.498 -17.777 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.516 5.335 -18.796 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.457 6.621 -15.261 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.908 3.261 -17.879 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.122 5.146 -13.298 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.580 1.783 -15.914 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.688 2.727 -13.623 1.00 0.00 H new ATOM 387 N GLY A 44 -2.170 8.029 -16.166 1.00 0.00 N ATOM 388 CA GLY A 44 -2.119 9.022 -15.057 1.00 0.00 C ATOM 389 C GLY A 44 -0.662 9.308 -14.684 1.00 0.00 C ATOM 390 O GLY A 44 -0.036 8.548 -13.974 1.00 0.00 O ATOM 0 H GLY A 44 -1.330 7.462 -16.281 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.614 9.945 -15.360 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.658 8.640 -14.190 1.00 0.00 H new ATOM 394 N GLU A 45 -0.121 10.400 -15.158 1.00 0.00 N ATOM 395 CA GLU A 45 1.294 10.737 -14.830 1.00 0.00 C ATOM 396 C GLU A 45 1.580 10.431 -13.357 1.00 0.00 C ATOM 397 O GLU A 45 0.706 10.518 -12.517 1.00 0.00 O ATOM 398 CB GLU A 45 1.417 12.237 -15.103 1.00 0.00 C ATOM 399 CG GLU A 45 0.435 13.001 -14.212 1.00 0.00 C ATOM 400 CD GLU A 45 0.407 14.474 -14.626 1.00 0.00 C ATOM 401 OE1 GLU A 45 0.278 14.734 -15.811 1.00 0.00 O ATOM 402 OE2 GLU A 45 0.512 15.316 -13.750 1.00 0.00 O ATOM 0 H GLU A 45 -0.599 11.072 -15.758 1.00 0.00 H new ATOM 0 HA GLU A 45 2.006 10.158 -15.418 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.436 12.570 -14.908 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.209 12.445 -16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.562 12.569 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.731 12.912 -13.167 1.00 0.00 H new ATOM 409 N VAL A 46 2.791 10.064 -13.037 1.00 0.00 N ATOM 410 CA VAL A 46 3.116 9.746 -11.616 1.00 0.00 C ATOM 411 C VAL A 46 4.260 10.625 -11.109 1.00 0.00 C ATOM 412 O VAL A 46 5.152 10.992 -11.848 1.00 0.00 O ATOM 413 CB VAL A 46 3.535 8.276 -11.626 1.00 0.00 C ATOM 414 CG1 VAL A 46 3.831 7.822 -10.196 1.00 0.00 C ATOM 415 CG2 VAL A 46 2.403 7.425 -12.205 1.00 0.00 C ATOM 0 H VAL A 46 3.566 9.971 -13.693 1.00 0.00 H new ATOM 0 HA VAL A 46 2.269 9.929 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 46 4.428 8.158 -12.239 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.130 6.774 -10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.637 8.427 -9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.937 7.941 -9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.703 6.377 -12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.509 7.543 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.190 7.748 -13.224 1.00 0.00 H new ATOM 425 N LYS A 47 4.241 10.959 -9.848 1.00 0.00 N ATOM 426 CA LYS A 47 5.326 11.808 -9.281 1.00 0.00 C ATOM 427 C LYS A 47 6.251 10.957 -8.410 1.00 0.00 C ATOM 428 O LYS A 47 7.439 11.198 -8.326 1.00 0.00 O ATOM 429 CB LYS A 47 4.605 12.860 -8.436 1.00 0.00 C ATOM 430 CG LYS A 47 3.967 13.901 -9.357 1.00 0.00 C ATOM 431 CD LYS A 47 2.733 14.498 -8.678 1.00 0.00 C ATOM 432 CE LYS A 47 2.094 15.533 -9.606 1.00 0.00 C ATOM 433 NZ LYS A 47 0.873 14.866 -10.141 1.00 0.00 N ATOM 0 H LYS A 47 3.519 10.680 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 47 5.945 12.265 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.841 12.386 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.309 13.342 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.685 14.688 -9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.686 13.440 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.016 13.711 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.014 14.964 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.841 16.445 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.774 15.816 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.379 15.514 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.145 14.004 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.242 14.614 -9.354 1.00 0.00 H new ATOM 447 N GLU A 48 5.715 9.958 -7.762 1.00 0.00 N ATOM 448 CA GLU A 48 6.565 9.086 -6.898 1.00 0.00 C ATOM 449 C GLU A 48 5.796 7.823 -6.498 1.00 0.00 C ATOM 450 O GLU A 48 4.584 7.820 -6.416 1.00 0.00 O ATOM 451 CB GLU A 48 6.882 9.931 -5.665 1.00 0.00 C ATOM 452 CG GLU A 48 8.110 9.355 -4.957 1.00 0.00 C ATOM 453 CD GLU A 48 9.168 10.449 -4.798 1.00 0.00 C ATOM 454 OE1 GLU A 48 8.787 11.603 -4.689 1.00 0.00 O ATOM 455 OE2 GLU A 48 10.341 10.115 -4.788 1.00 0.00 O ATOM 0 H GLU A 48 4.727 9.707 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 48 7.470 8.759 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.068 10.965 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.028 9.940 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.829 8.962 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.516 8.522 -5.531 1.00 0.00 H new ATOM 462 N CYS A 49 6.493 6.747 -6.250 1.00 0.00 N ATOM 463 CA CYS A 49 5.803 5.485 -5.856 1.00 0.00 C ATOM 464 C CYS A 49 6.712 4.641 -4.958 1.00 0.00 C ATOM 465 O CYS A 49 7.895 4.893 -4.846 1.00 0.00 O ATOM 466 CB CYS A 49 5.531 4.759 -7.172 1.00 0.00 C ATOM 467 SG CYS A 49 7.102 4.274 -7.927 1.00 0.00 S ATOM 0 H CYS A 49 7.510 6.687 -6.303 1.00 0.00 H new ATOM 0 HA CYS A 49 4.888 5.673 -5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.914 3.879 -6.993 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.974 5.407 -7.849 1.00 0.00 H new ATOM 0 HG CYS A 49 7.543 3.194 -7.354 1.00 0.00 H new ATOM 473 N LEU A 50 6.172 3.632 -4.325 1.00 0.00 N ATOM 474 CA LEU A 50 7.015 2.772 -3.447 1.00 0.00 C ATOM 475 C LEU A 50 6.637 1.297 -3.643 1.00 0.00 C ATOM 476 O LEU A 50 5.493 0.921 -3.541 1.00 0.00 O ATOM 477 CB LEU A 50 6.745 3.276 -2.016 1.00 0.00 C ATOM 478 CG LEU A 50 5.950 2.255 -1.192 1.00 0.00 C ATOM 479 CD1 LEU A 50 6.847 1.070 -0.839 1.00 0.00 C ATOM 480 CD2 LEU A 50 5.457 2.929 0.090 1.00 0.00 C ATOM 0 H LEU A 50 5.188 3.368 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 50 8.079 2.833 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.693 3.485 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.194 4.216 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 50 5.099 1.896 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.280 0.346 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.203 0.597 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.699 1.420 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.890 2.212 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.312 3.283 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.817 3.774 -0.166 1.00 0.00 H new ATOM 492 N VAL A 51 7.587 0.458 -3.940 1.00 0.00 N ATOM 493 CA VAL A 51 7.250 -0.980 -4.157 1.00 0.00 C ATOM 494 C VAL A 51 7.894 -1.868 -3.090 1.00 0.00 C ATOM 495 O VAL A 51 9.076 -1.781 -2.822 1.00 0.00 O ATOM 496 CB VAL A 51 7.809 -1.314 -5.538 1.00 0.00 C ATOM 497 CG1 VAL A 51 7.716 -2.824 -5.776 1.00 0.00 C ATOM 498 CG2 VAL A 51 6.995 -0.580 -6.605 1.00 0.00 C ATOM 0 H VAL A 51 8.573 0.699 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 51 6.176 -1.154 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 51 8.852 -1.002 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.115 -3.062 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.293 -3.349 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.673 -3.137 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.392 -0.817 -7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.953 -0.894 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.059 0.495 -6.436 1.00 0.00 H new ATOM 508 N MET A 52 7.118 -2.730 -2.490 1.00 0.00 N ATOM 509 CA MET A 52 7.667 -3.642 -1.451 1.00 0.00 C ATOM 510 C MET A 52 7.195 -5.074 -1.733 1.00 0.00 C ATOM 511 O MET A 52 6.112 -5.295 -2.248 1.00 0.00 O ATOM 512 CB MET A 52 7.113 -3.102 -0.120 1.00 0.00 C ATOM 513 CG MET A 52 6.667 -4.248 0.797 1.00 0.00 C ATOM 514 SD MET A 52 6.905 -3.772 2.529 1.00 0.00 S ATOM 515 CE MET A 52 6.280 -2.079 2.397 1.00 0.00 C ATOM 0 H MET A 52 6.122 -2.841 -2.678 1.00 0.00 H new ATOM 0 HA MET A 52 8.756 -3.674 -1.432 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.877 -2.507 0.381 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.270 -2.439 -0.315 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.619 -4.485 0.616 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.240 -5.148 0.575 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.090 -1.376 2.593 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.889 -1.913 1.393 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.484 -1.927 3.126 1.00 0.00 H new ATOM 525 N ARG A 53 7.998 -6.043 -1.396 1.00 0.00 N ATOM 526 CA ARG A 53 7.615 -7.452 -1.636 1.00 0.00 C ATOM 527 C ARG A 53 7.857 -8.292 -0.379 1.00 0.00 C ATOM 528 O ARG A 53 6.965 -8.509 0.416 1.00 0.00 O ATOM 529 CB ARG A 53 8.516 -7.919 -2.777 1.00 0.00 C ATOM 530 CG ARG A 53 8.356 -9.427 -2.973 1.00 0.00 C ATOM 531 CD ARG A 53 9.473 -9.946 -3.881 1.00 0.00 C ATOM 532 NE ARG A 53 9.876 -11.251 -3.289 1.00 0.00 N ATOM 533 CZ ARG A 53 10.072 -12.285 -4.059 1.00 0.00 C ATOM 534 NH1 ARG A 53 10.390 -12.113 -5.314 1.00 0.00 N ATOM 535 NH2 ARG A 53 9.950 -13.491 -3.577 1.00 0.00 N ATOM 0 H ARG A 53 8.911 -5.913 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 53 6.558 -7.555 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.258 -7.393 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.556 -7.679 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.391 -9.935 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.383 -9.646 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.123 -10.069 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.312 -9.251 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 53 9.999 -11.336 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.485 -11.170 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.543 -12.921 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.701 -13.626 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.103 -14.299 -4.180 1.00 0.00 H new ATOM 549 N ASP A 54 9.057 -8.770 -0.197 1.00 0.00 N ATOM 550 CA ASP A 54 9.353 -9.599 1.005 1.00 0.00 C ATOM 551 C ASP A 54 10.645 -9.124 1.682 1.00 0.00 C ATOM 552 O ASP A 54 11.715 -9.612 1.376 1.00 0.00 O ATOM 553 CB ASP A 54 9.522 -11.021 0.472 1.00 0.00 C ATOM 554 CG ASP A 54 8.179 -11.539 -0.046 1.00 0.00 C ATOM 555 OD1 ASP A 54 7.210 -10.804 0.040 1.00 0.00 O ATOM 556 OD2 ASP A 54 8.144 -12.662 -0.521 1.00 0.00 O ATOM 0 H ASP A 54 9.845 -8.623 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 54 8.563 -9.531 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.261 -11.034 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.895 -11.674 1.261 1.00 0.00 H new ATOM 561 N PRO A 55 10.507 -8.187 2.588 1.00 0.00 N ATOM 562 CA PRO A 55 11.681 -7.652 3.317 1.00 0.00 C ATOM 563 C PRO A 55 12.370 -8.771 4.102 1.00 0.00 C ATOM 564 O PRO A 55 13.566 -8.966 4.008 1.00 0.00 O ATOM 565 CB PRO A 55 11.054 -6.620 4.258 1.00 0.00 C ATOM 566 CG PRO A 55 9.530 -6.605 4.031 1.00 0.00 C ATOM 567 CD PRO A 55 9.182 -7.619 2.932 1.00 0.00 C ATOM 0 HA PRO A 55 12.447 -7.226 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.279 -6.869 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.474 -5.632 4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.009 -6.856 4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.202 -5.607 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.493 -8.384 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.710 -7.141 2.074 1.00 0.00 H new ATOM 575 N LEU A 56 11.621 -9.512 4.872 1.00 0.00 N ATOM 576 CA LEU A 56 12.220 -10.620 5.657 1.00 0.00 C ATOM 577 C LEU A 56 12.194 -11.906 4.831 1.00 0.00 C ATOM 578 O LEU A 56 13.214 -12.515 4.571 1.00 0.00 O ATOM 579 CB LEU A 56 11.335 -10.771 6.900 1.00 0.00 C ATOM 580 CG LEU A 56 10.924 -9.390 7.418 1.00 0.00 C ATOM 581 CD1 LEU A 56 10.133 -9.547 8.718 1.00 0.00 C ATOM 582 CD2 LEU A 56 12.175 -8.550 7.680 1.00 0.00 C ATOM 0 H LEU A 56 10.615 -9.394 4.989 1.00 0.00 H new ATOM 0 HA LEU A 56 13.257 -10.419 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.448 -11.356 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.873 -11.315 7.676 1.00 0.00 H new ATOM 0 HG LEU A 56 10.303 -8.893 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.840 -8.564 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.241 -10.145 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.753 -10.044 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.882 -7.567 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.797 -9.046 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.738 -8.437 6.754 1.00 0.00 H new ATOM 594 N THR A 57 11.029 -12.317 4.412 1.00 0.00 N ATOM 595 CA THR A 57 10.918 -13.561 3.594 1.00 0.00 C ATOM 596 C THR A 57 9.583 -13.583 2.845 1.00 0.00 C ATOM 597 O THR A 57 9.524 -13.893 1.671 1.00 0.00 O ATOM 598 CB THR A 57 11.005 -14.725 4.590 1.00 0.00 C ATOM 599 OG1 THR A 57 10.443 -15.889 4.000 1.00 0.00 O ATOM 600 CG2 THR A 57 10.241 -14.390 5.876 1.00 0.00 C ATOM 0 H THR A 57 10.145 -11.844 4.601 1.00 0.00 H new ATOM 0 HA THR A 57 11.705 -13.625 2.842 1.00 0.00 H new ATOM 0 HB THR A 57 12.052 -14.899 4.838 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.498 -16.635 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.313 -15.227 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.672 -13.500 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.193 -14.205 5.639 1.00 0.00 H new ATOM 608 N LYS A 58 8.515 -13.253 3.510 1.00 0.00 N ATOM 609 CA LYS A 58 7.187 -13.249 2.842 1.00 0.00 C ATOM 610 C LYS A 58 6.101 -12.732 3.792 1.00 0.00 C ATOM 611 O LYS A 58 4.933 -13.021 3.627 1.00 0.00 O ATOM 612 CB LYS A 58 6.923 -14.709 2.465 1.00 0.00 C ATOM 613 CG LYS A 58 7.207 -15.620 3.664 1.00 0.00 C ATOM 614 CD LYS A 58 5.947 -15.758 4.521 1.00 0.00 C ATOM 615 CE LYS A 58 6.334 -16.250 5.917 1.00 0.00 C ATOM 616 NZ LYS A 58 6.901 -17.610 5.699 1.00 0.00 N ATOM 0 H LYS A 58 8.504 -12.984 4.494 1.00 0.00 H new ATOM 0 HA LYS A 58 7.174 -12.594 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.888 -14.829 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.553 -14.995 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.531 -16.601 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.020 -15.208 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.434 -14.799 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.252 -16.458 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.064 -15.587 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.468 -16.284 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.907 -18.132 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.319 -18.122 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.874 -17.527 5.340 1.00 0.00 H new ATOM 630 N ARG A 59 6.471 -11.969 4.785 1.00 0.00 N ATOM 631 CA ARG A 59 5.454 -11.441 5.737 1.00 0.00 C ATOM 632 C ARG A 59 4.731 -10.240 5.127 1.00 0.00 C ATOM 633 O ARG A 59 3.579 -9.985 5.417 1.00 0.00 O ATOM 634 CB ARG A 59 6.248 -11.024 6.975 1.00 0.00 C ATOM 635 CG ARG A 59 7.229 -9.906 6.611 1.00 0.00 C ATOM 636 CD ARG A 59 6.492 -8.567 6.589 1.00 0.00 C ATOM 637 NE ARG A 59 7.206 -7.725 7.588 1.00 0.00 N ATOM 638 CZ ARG A 59 7.467 -6.475 7.321 1.00 0.00 C ATOM 639 NH1 ARG A 59 6.543 -5.714 6.802 1.00 0.00 N ATOM 640 NH2 ARG A 59 8.651 -5.988 7.573 1.00 0.00 N ATOM 0 H ARG A 59 7.433 -11.689 4.977 1.00 0.00 H new ATOM 0 HA ARG A 59 4.689 -12.180 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.568 -10.684 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.791 -11.880 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.044 -9.873 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.676 -10.103 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.521 -8.115 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.441 -8.689 6.853 1.00 0.00 H new ATOM 0 HE ARG A 59 7.491 -8.126 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.618 -6.097 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.746 -4.736 6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.372 -6.585 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.855 -5.011 7.364 1.00 0.00 H new ATOM 654 N SER A 60 5.396 -9.499 4.283 1.00 0.00 N ATOM 655 CA SER A 60 4.746 -8.319 3.656 1.00 0.00 C ATOM 656 C SER A 60 3.495 -8.755 2.886 1.00 0.00 C ATOM 657 O SER A 60 2.871 -9.746 3.210 1.00 0.00 O ATOM 658 CB SER A 60 5.794 -7.749 2.702 1.00 0.00 C ATOM 659 OG SER A 60 6.044 -6.391 3.039 1.00 0.00 O ATOM 0 H SER A 60 6.363 -9.662 4.002 1.00 0.00 H new ATOM 0 HA SER A 60 4.425 -7.582 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.715 -8.328 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.444 -7.822 1.672 1.00 0.00 H new ATOM 0 HG SER A 60 6.870 -6.093 2.603 1.00 0.00 H new ATOM 665 N ARG A 61 3.123 -8.025 1.872 1.00 0.00 N ATOM 666 CA ARG A 61 1.910 -8.405 1.089 1.00 0.00 C ATOM 667 C ARG A 61 2.189 -8.325 -0.417 1.00 0.00 C ATOM 668 O ARG A 61 1.605 -9.044 -1.202 1.00 0.00 O ATOM 669 CB ARG A 61 0.844 -7.386 1.491 1.00 0.00 C ATOM 670 CG ARG A 61 0.465 -7.598 2.959 1.00 0.00 C ATOM 671 CD ARG A 61 -0.129 -6.307 3.526 1.00 0.00 C ATOM 672 NE ARG A 61 0.877 -5.824 4.511 1.00 0.00 N ATOM 673 CZ ARG A 61 0.492 -5.408 5.687 1.00 0.00 C ATOM 674 NH1 ARG A 61 -0.482 -4.545 5.787 1.00 0.00 N ATOM 675 NH2 ARG A 61 1.080 -5.858 6.763 1.00 0.00 N ATOM 0 H ARG A 61 3.603 -7.184 1.551 1.00 0.00 H new ATOM 0 HA ARG A 61 1.598 -9.429 1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.219 -6.373 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.036 -7.495 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.256 -8.411 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.344 -7.889 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.298 -5.571 2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.092 -6.491 4.002 1.00 0.00 H new ATOM 0 HE ARG A 61 1.867 -5.818 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.942 -4.196 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.783 -4.220 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.840 -6.534 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.780 -5.533 7.682 1.00 0.00 H new ATOM 689 N GLY A 62 3.068 -7.452 -0.827 1.00 0.00 N ATOM 690 CA GLY A 62 3.369 -7.326 -2.282 1.00 0.00 C ATOM 691 C GLY A 62 2.475 -6.240 -2.879 1.00 0.00 C ATOM 692 O GLY A 62 1.390 -6.506 -3.362 1.00 0.00 O ATOM 0 H GLY A 62 3.590 -6.821 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.419 -7.073 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.196 -8.277 -2.787 1.00 0.00 H new ATOM 696 N PHE A 63 2.915 -5.014 -2.842 1.00 0.00 N ATOM 697 CA PHE A 63 2.075 -3.915 -3.397 1.00 0.00 C ATOM 698 C PHE A 63 2.951 -2.769 -3.902 1.00 0.00 C ATOM 699 O PHE A 63 4.160 -2.871 -3.951 1.00 0.00 O ATOM 700 CB PHE A 63 1.201 -3.447 -2.229 1.00 0.00 C ATOM 701 CG PHE A 63 2.014 -3.408 -0.955 1.00 0.00 C ATOM 702 CD1 PHE A 63 2.809 -2.293 -0.666 1.00 0.00 C ATOM 703 CD2 PHE A 63 1.968 -4.485 -0.062 1.00 0.00 C ATOM 704 CE1 PHE A 63 3.560 -2.256 0.515 1.00 0.00 C ATOM 705 CE2 PHE A 63 2.718 -4.448 1.119 1.00 0.00 C ATOM 706 CZ PHE A 63 3.514 -3.333 1.408 1.00 0.00 C ATOM 0 H PHE A 63 3.813 -4.726 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 63 1.478 -4.250 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.796 -2.458 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.352 -4.120 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.843 -1.461 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.353 -5.345 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.175 -1.396 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.683 -5.279 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.092 -3.304 2.320 1.00 0.00 H new ATOM 716 N GLY A 64 2.343 -1.679 -4.280 1.00 0.00 N ATOM 717 CA GLY A 64 3.134 -0.525 -4.785 1.00 0.00 C ATOM 718 C GLY A 64 2.364 0.774 -4.541 1.00 0.00 C ATOM 719 O GLY A 64 1.271 0.963 -5.033 1.00 0.00 O ATOM 0 H GLY A 64 1.333 -1.539 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.100 -0.486 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.333 -0.646 -5.850 1.00 0.00 H new ATOM 723 N PHE A 65 2.938 1.674 -3.793 1.00 0.00 N ATOM 724 CA PHE A 65 2.260 2.970 -3.521 1.00 0.00 C ATOM 725 C PHE A 65 2.534 3.929 -4.673 1.00 0.00 C ATOM 726 O PHE A 65 3.562 3.857 -5.316 1.00 0.00 O ATOM 727 CB PHE A 65 2.908 3.483 -2.239 1.00 0.00 C ATOM 728 CG PHE A 65 2.185 2.908 -1.045 1.00 0.00 C ATOM 729 CD1 PHE A 65 0.920 3.390 -0.681 1.00 0.00 C ATOM 730 CD2 PHE A 65 2.786 1.889 -0.295 1.00 0.00 C ATOM 731 CE1 PHE A 65 0.263 2.853 0.430 1.00 0.00 C ATOM 732 CE2 PHE A 65 2.128 1.355 0.815 1.00 0.00 C ATOM 733 CZ PHE A 65 0.868 1.836 1.178 1.00 0.00 C ATOM 0 H PHE A 65 3.853 1.566 -3.356 1.00 0.00 H new ATOM 0 HA PHE A 65 1.179 2.874 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.960 3.199 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.871 4.572 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.454 4.175 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.760 1.516 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.712 3.223 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.593 0.570 1.393 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.360 1.423 2.037 1.00 0.00 H new ATOM 743 N VAL A 66 1.625 4.813 -4.957 1.00 0.00 N ATOM 744 CA VAL A 66 1.851 5.750 -6.090 1.00 0.00 C ATOM 745 C VAL A 66 1.148 7.084 -5.841 1.00 0.00 C ATOM 746 O VAL A 66 -0.061 7.159 -5.796 1.00 0.00 O ATOM 747 CB VAL A 66 1.246 5.041 -7.305 1.00 0.00 C ATOM 748 CG1 VAL A 66 1.771 5.690 -8.586 1.00 0.00 C ATOM 749 CG2 VAL A 66 1.644 3.559 -7.285 1.00 0.00 C ATOM 0 H VAL A 66 0.742 4.929 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 66 2.907 5.981 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 66 0.160 5.126 -7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.341 5.186 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.490 6.743 -8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.857 5.604 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.213 3.055 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.730 3.473 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.272 3.095 -6.372 1.00 0.00 H new ATOM 759 N THR A 67 1.896 8.141 -5.688 1.00 0.00 N ATOM 760 CA THR A 67 1.260 9.469 -5.457 1.00 0.00 C ATOM 761 C THR A 67 0.781 10.050 -6.789 1.00 0.00 C ATOM 762 O THR A 67 0.299 11.164 -6.855 1.00 0.00 O ATOM 763 CB THR A 67 2.365 10.341 -4.857 1.00 0.00 C ATOM 764 OG1 THR A 67 1.851 11.640 -4.600 1.00 0.00 O ATOM 765 CG2 THR A 67 3.532 10.440 -5.841 1.00 0.00 C ATOM 0 H THR A 67 2.916 8.144 -5.713 1.00 0.00 H new ATOM 0 HA THR A 67 0.393 9.408 -4.800 1.00 0.00 H new ATOM 0 HB THR A 67 2.715 9.895 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.136 11.841 -5.239 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.318 11.061 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.926 9.443 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.185 10.886 -6.773 1.00 0.00 H new ATOM 773 N PHE A 68 0.914 9.304 -7.853 1.00 0.00 N ATOM 774 CA PHE A 68 0.471 9.814 -9.181 1.00 0.00 C ATOM 775 C PHE A 68 -0.950 10.379 -9.081 1.00 0.00 C ATOM 776 O PHE A 68 -1.715 10.009 -8.212 1.00 0.00 O ATOM 777 CB PHE A 68 0.520 8.594 -10.112 1.00 0.00 C ATOM 778 CG PHE A 68 -0.720 7.749 -9.939 1.00 0.00 C ATOM 779 CD1 PHE A 68 -1.070 7.267 -8.673 1.00 0.00 C ATOM 780 CD2 PHE A 68 -1.518 7.446 -11.049 1.00 0.00 C ATOM 781 CE1 PHE A 68 -2.219 6.483 -8.515 1.00 0.00 C ATOM 782 CE2 PHE A 68 -2.667 6.662 -10.891 1.00 0.00 C ATOM 783 CZ PHE A 68 -3.018 6.181 -9.625 1.00 0.00 C ATOM 0 H PHE A 68 1.310 8.364 -7.859 1.00 0.00 H new ATOM 0 HA PHE A 68 1.101 10.623 -9.550 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.602 8.922 -11.148 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.407 7.998 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.454 7.500 -7.817 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.247 7.817 -12.026 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.489 6.111 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.283 6.428 -11.747 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.905 5.577 -9.504 1.00 0.00 H new ATOM 793 N MET A 69 -1.310 11.273 -9.960 1.00 0.00 N ATOM 794 CA MET A 69 -2.682 11.856 -9.905 1.00 0.00 C ATOM 795 C MET A 69 -2.960 12.692 -11.157 1.00 0.00 C ATOM 796 O MET A 69 -2.357 13.724 -11.374 1.00 0.00 O ATOM 797 CB MET A 69 -2.683 12.741 -8.658 1.00 0.00 C ATOM 798 CG MET A 69 -3.939 13.613 -8.654 1.00 0.00 C ATOM 799 SD MET A 69 -3.882 14.749 -7.245 1.00 0.00 S ATOM 800 CE MET A 69 -4.464 13.583 -5.989 1.00 0.00 C ATOM 0 H MET A 69 -0.717 11.625 -10.712 1.00 0.00 H new ATOM 0 HA MET A 69 -3.454 11.088 -9.864 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.653 12.123 -7.760 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.792 13.368 -8.643 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.007 14.175 -9.585 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.829 12.987 -8.594 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.467 13.864 -5.668 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.486 12.577 -6.408 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.790 13.604 -5.133 1.00 0.00 H new ATOM 810 N ASP A 70 -3.875 12.256 -11.981 1.00 0.00 N ATOM 811 CA ASP A 70 -4.197 13.029 -13.215 1.00 0.00 C ATOM 812 C ASP A 70 -5.713 13.193 -13.352 1.00 0.00 C ATOM 813 O ASP A 70 -6.480 12.531 -12.681 1.00 0.00 O ATOM 814 CB ASP A 70 -3.641 12.190 -14.367 1.00 0.00 C ATOM 815 CG ASP A 70 -3.557 13.050 -15.630 1.00 0.00 C ATOM 816 OD1 ASP A 70 -2.704 13.922 -15.672 1.00 0.00 O ATOM 817 OD2 ASP A 70 -4.346 12.823 -16.531 1.00 0.00 O ATOM 0 H ASP A 70 -4.413 11.399 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.768 14.031 -13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.654 11.807 -14.109 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.282 11.326 -14.544 1.00 0.00 H new ATOM 822 N GLN A 71 -6.151 14.071 -14.213 1.00 0.00 N ATOM 823 CA GLN A 71 -7.619 14.274 -14.388 1.00 0.00 C ATOM 824 C GLN A 71 -8.340 12.923 -14.420 1.00 0.00 C ATOM 825 O GLN A 71 -9.037 12.560 -13.495 1.00 0.00 O ATOM 826 CB GLN A 71 -7.762 14.992 -15.731 1.00 0.00 C ATOM 827 CG GLN A 71 -7.767 16.505 -15.502 1.00 0.00 C ATOM 828 CD GLN A 71 -6.568 17.133 -16.217 1.00 0.00 C ATOM 829 OE1 GLN A 71 -5.498 17.240 -15.651 1.00 0.00 O ATOM 830 NE2 GLN A 71 -6.703 17.556 -17.443 1.00 0.00 N ATOM 0 H GLN A 71 -5.558 14.656 -14.802 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.057 14.847 -13.571 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.941 14.716 -16.392 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.685 14.685 -16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.695 16.937 -15.877 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.722 16.722 -14.435 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.601 17.466 -17.918 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.910 17.977 -17.927 1.00 0.00 H new ATOM 839 N ALA A 72 -8.175 12.177 -15.477 1.00 0.00 N ATOM 840 CA ALA A 72 -8.852 10.851 -15.565 1.00 0.00 C ATOM 841 C ALA A 72 -7.971 9.765 -14.939 1.00 0.00 C ATOM 842 O ALA A 72 -8.365 8.621 -14.827 1.00 0.00 O ATOM 843 CB ALA A 72 -9.033 10.598 -17.062 1.00 0.00 C ATOM 0 H ALA A 72 -7.602 12.427 -16.283 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.802 10.836 -15.031 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.526 9.638 -17.212 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.644 11.391 -17.494 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.058 10.585 -17.549 1.00 0.00 H new ATOM 849 N GLY A 73 -6.781 10.114 -14.531 1.00 0.00 N ATOM 850 CA GLY A 73 -5.875 9.103 -13.916 1.00 0.00 C ATOM 851 C GLY A 73 -6.638 8.301 -12.859 1.00 0.00 C ATOM 852 O GLY A 73 -7.035 7.175 -13.089 1.00 0.00 O ATOM 0 H GLY A 73 -6.397 11.057 -14.597 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.487 8.434 -14.684 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.017 9.598 -13.461 1.00 0.00 H new ATOM 856 N VAL A 74 -6.840 8.869 -11.700 1.00 0.00 N ATOM 857 CA VAL A 74 -7.573 8.140 -10.624 1.00 0.00 C ATOM 858 C VAL A 74 -8.766 7.377 -11.210 1.00 0.00 C ATOM 859 O VAL A 74 -8.931 6.195 -10.985 1.00 0.00 O ATOM 860 CB VAL A 74 -8.053 9.228 -9.665 1.00 0.00 C ATOM 861 CG1 VAL A 74 -9.052 8.632 -8.673 1.00 0.00 C ATOM 862 CG2 VAL A 74 -6.855 9.796 -8.900 1.00 0.00 C ATOM 0 H VAL A 74 -6.529 9.808 -11.452 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.943 7.403 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.536 10.024 -10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.394 9.409 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.905 8.225 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.570 7.836 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.196 10.573 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.374 8.999 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.142 10.222 -9.605 1.00 0.00 H new ATOM 872 N ASP A 75 -9.598 8.045 -11.961 1.00 0.00 N ATOM 873 CA ASP A 75 -10.777 7.360 -12.561 1.00 0.00 C ATOM 874 C ASP A 75 -10.353 6.037 -13.201 1.00 0.00 C ATOM 875 O ASP A 75 -10.909 4.992 -12.925 1.00 0.00 O ATOM 876 CB ASP A 75 -11.295 8.326 -13.625 1.00 0.00 C ATOM 877 CG ASP A 75 -12.113 9.431 -12.957 1.00 0.00 C ATOM 878 OD1 ASP A 75 -11.776 9.801 -11.844 1.00 0.00 O ATOM 879 OD2 ASP A 75 -13.063 9.891 -13.569 1.00 0.00 O ATOM 0 H ASP A 75 -9.512 9.036 -12.185 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.538 7.123 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.460 8.759 -14.175 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.910 7.791 -14.349 1.00 0.00 H new ATOM 884 N LYS A 76 -9.374 6.080 -14.057 1.00 0.00 N ATOM 885 CA LYS A 76 -8.910 4.832 -14.727 1.00 0.00 C ATOM 886 C LYS A 76 -8.265 3.886 -13.712 1.00 0.00 C ATOM 887 O LYS A 76 -8.398 2.682 -13.804 1.00 0.00 O ATOM 888 CB LYS A 76 -7.884 5.295 -15.760 1.00 0.00 C ATOM 889 CG LYS A 76 -8.524 5.280 -17.150 1.00 0.00 C ATOM 890 CD LYS A 76 -9.235 6.612 -17.397 1.00 0.00 C ATOM 891 CE LYS A 76 -10.688 6.512 -16.923 1.00 0.00 C ATOM 892 NZ LYS A 76 -11.493 7.109 -18.025 1.00 0.00 N ATOM 0 H LYS A 76 -8.872 6.927 -14.324 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.732 4.283 -15.186 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.535 6.299 -15.518 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.012 4.642 -15.741 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.762 5.115 -17.912 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.234 4.457 -17.227 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.722 7.414 -16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.204 6.862 -18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.974 5.476 -16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.837 7.052 -15.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.502 7.077 -17.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.203 8.097 -18.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.337 6.570 -18.901 1.00 0.00 H new ATOM 906 N VAL A 77 -7.572 4.414 -12.742 1.00 0.00 N ATOM 907 CA VAL A 77 -6.932 3.536 -11.733 1.00 0.00 C ATOM 908 C VAL A 77 -7.982 2.613 -11.110 1.00 0.00 C ATOM 909 O VAL A 77 -8.020 1.431 -11.389 1.00 0.00 O ATOM 910 CB VAL A 77 -6.355 4.493 -10.697 1.00 0.00 C ATOM 911 CG1 VAL A 77 -5.617 3.693 -9.638 1.00 0.00 C ATOM 912 CG2 VAL A 77 -5.369 5.444 -11.373 1.00 0.00 C ATOM 0 H VAL A 77 -7.423 5.414 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.161 2.892 -12.157 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.163 5.064 -10.241 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.201 4.372 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.309 3.004 -9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.810 3.129 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.957 6.128 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.561 4.869 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.885 6.014 -12.145 1.00 0.00 H new ATOM 922 N LEU A 78 -8.843 3.134 -10.276 1.00 0.00 N ATOM 923 CA LEU A 78 -9.885 2.268 -9.662 1.00 0.00 C ATOM 924 C LEU A 78 -10.531 1.408 -10.748 1.00 0.00 C ATOM 925 O LEU A 78 -10.839 0.252 -10.535 1.00 0.00 O ATOM 926 CB LEU A 78 -10.905 3.223 -9.037 1.00 0.00 C ATOM 927 CG LEU A 78 -11.335 4.272 -10.062 1.00 0.00 C ATOM 928 CD1 LEU A 78 -12.738 3.943 -10.575 1.00 0.00 C ATOM 929 CD2 LEU A 78 -11.347 5.650 -9.398 1.00 0.00 C ATOM 0 H LEU A 78 -8.868 4.115 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.477 1.592 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.774 2.664 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.471 3.711 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.636 4.273 -10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.043 4.692 -11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.732 2.959 -11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.440 3.943 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.653 6.402 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.048 5.646 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.348 5.886 -9.031 1.00 0.00 H new ATOM 941 N ALA A 79 -10.723 1.953 -11.921 1.00 0.00 N ATOM 942 CA ALA A 79 -11.323 1.147 -13.012 1.00 0.00 C ATOM 943 C ALA A 79 -10.539 -0.157 -13.145 1.00 0.00 C ATOM 944 O ALA A 79 -11.049 -1.166 -13.589 1.00 0.00 O ATOM 945 CB ALA A 79 -11.174 2.003 -14.270 1.00 0.00 C ATOM 0 H ALA A 79 -10.490 2.916 -12.165 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.367 0.890 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.596 1.472 -15.123 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.702 2.947 -14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.118 2.201 -14.452 1.00 0.00 H new ATOM 951 N GLN A 80 -9.295 -0.134 -12.744 1.00 0.00 N ATOM 952 CA GLN A 80 -8.451 -1.358 -12.819 1.00 0.00 C ATOM 953 C GLN A 80 -8.305 -1.955 -11.429 1.00 0.00 C ATOM 954 O GLN A 80 -7.351 -2.648 -11.133 1.00 0.00 O ATOM 955 CB GLN A 80 -7.091 -0.893 -13.351 1.00 0.00 C ATOM 956 CG GLN A 80 -7.282 0.022 -14.565 1.00 0.00 C ATOM 957 CD GLN A 80 -7.134 -0.796 -15.848 1.00 0.00 C ATOM 958 OE1 GLN A 80 -6.718 -1.938 -15.811 1.00 0.00 O ATOM 959 NE2 GLN A 80 -7.462 -0.259 -16.991 1.00 0.00 N ATOM 0 H GLN A 80 -8.826 0.688 -12.365 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.885 -2.122 -13.463 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.548 -0.363 -12.569 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.487 -1.756 -13.629 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.266 0.489 -14.530 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.547 0.826 -14.547 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.811 0.699 -17.023 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.369 -0.797 -17.853 1.00 0.00 H new ATOM 968 N SER A 81 -9.258 -1.710 -10.575 1.00 0.00 N ATOM 969 CA SER A 81 -9.191 -2.283 -9.213 1.00 0.00 C ATOM 970 C SER A 81 -9.019 -3.800 -9.323 1.00 0.00 C ATOM 971 O SER A 81 -8.641 -4.465 -8.378 1.00 0.00 O ATOM 972 CB SER A 81 -10.523 -1.916 -8.563 1.00 0.00 C ATOM 973 OG SER A 81 -10.557 -2.425 -7.237 1.00 0.00 O ATOM 0 H SER A 81 -10.079 -1.136 -10.766 1.00 0.00 H new ATOM 0 HA SER A 81 -8.355 -1.906 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.649 -0.833 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.349 -2.327 -9.143 1.00 0.00 H new ATOM 0 HG SER A 81 -11.411 -2.189 -6.818 1.00 0.00 H new ATOM 979 N ARG A 82 -9.279 -4.344 -10.484 1.00 0.00 N ATOM 980 CA ARG A 82 -9.120 -5.802 -10.685 1.00 0.00 C ATOM 981 C ARG A 82 -7.977 -6.065 -11.673 1.00 0.00 C ATOM 982 O ARG A 82 -7.771 -7.180 -12.107 1.00 0.00 O ATOM 983 CB ARG A 82 -10.451 -6.260 -11.275 1.00 0.00 C ATOM 984 CG ARG A 82 -10.589 -5.697 -12.689 1.00 0.00 C ATOM 985 CD ARG A 82 -11.837 -4.814 -12.767 1.00 0.00 C ATOM 986 NE ARG A 82 -12.707 -5.467 -13.784 1.00 0.00 N ATOM 987 CZ ARG A 82 -13.660 -6.274 -13.407 1.00 0.00 C ATOM 988 NH1 ARG A 82 -14.362 -6.003 -12.340 1.00 0.00 N ATOM 989 NH2 ARG A 82 -13.912 -7.352 -14.098 1.00 0.00 N ATOM 0 H ARG A 82 -9.597 -3.829 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 82 -8.879 -6.331 -9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -10.498 -7.349 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.277 -5.918 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.703 -5.117 -12.949 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -10.661 -6.511 -13.411 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.338 -4.752 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.582 -3.796 -13.060 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.558 -5.283 -14.776 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.165 -5.160 -11.801 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.107 -6.634 -12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.364 -7.563 -14.932 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.657 -7.984 -13.804 1.00 0.00 H new ATOM 1003 N HIS A 83 -7.254 -5.023 -12.023 1.00 0.00 N ATOM 1004 CA HIS A 83 -6.109 -5.117 -12.990 1.00 0.00 C ATOM 1005 C HIS A 83 -5.825 -6.537 -13.452 1.00 0.00 C ATOM 1006 O HIS A 83 -6.166 -6.933 -14.549 1.00 0.00 O ATOM 1007 CB HIS A 83 -4.902 -4.582 -12.223 1.00 0.00 C ATOM 1008 CG HIS A 83 -4.625 -3.165 -12.643 1.00 0.00 C ATOM 1009 ND1 HIS A 83 -4.453 -2.811 -13.973 1.00 0.00 N ATOM 1010 CD2 HIS A 83 -4.482 -2.006 -11.924 1.00 0.00 C ATOM 1011 CE1 HIS A 83 -4.220 -1.486 -14.012 1.00 0.00 C ATOM 1012 NE2 HIS A 83 -4.226 -0.946 -12.791 1.00 0.00 N ATOM 0 H HIS A 83 -7.417 -4.082 -11.666 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.340 -4.557 -13.896 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.092 -4.623 -11.151 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.030 -5.206 -12.416 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.556 -1.927 -10.849 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.049 -0.928 -14.920 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.075 0.033 -12.546 1.00 0.00 H new ATOM 1020 N GLU A 84 -5.180 -7.290 -12.625 1.00 0.00 N ATOM 1021 CA GLU A 84 -4.826 -8.680 -12.994 1.00 0.00 C ATOM 1022 C GLU A 84 -3.956 -8.668 -14.243 1.00 0.00 C ATOM 1023 O GLU A 84 -4.334 -8.149 -15.274 1.00 0.00 O ATOM 1024 CB GLU A 84 -6.150 -9.369 -13.251 1.00 0.00 C ATOM 1025 CG GLU A 84 -5.932 -10.879 -13.186 1.00 0.00 C ATOM 1026 CD GLU A 84 -6.854 -11.574 -14.189 1.00 0.00 C ATOM 1027 OE1 GLU A 84 -7.157 -10.968 -15.203 1.00 0.00 O ATOM 1028 OE2 GLU A 84 -7.243 -12.699 -13.925 1.00 0.00 O ATOM 0 H GLU A 84 -4.877 -7.001 -11.695 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.259 -9.194 -12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.887 -9.061 -12.510 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.542 -9.085 -14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.892 -11.116 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.134 -11.243 -12.179 1.00 0.00 H new ATOM 1035 N LEU A 85 -2.788 -9.226 -14.158 1.00 0.00 N ATOM 1036 CA LEU A 85 -1.897 -9.229 -15.345 1.00 0.00 C ATOM 1037 C LEU A 85 -0.871 -10.356 -15.241 1.00 0.00 C ATOM 1038 O LEU A 85 -0.549 -11.008 -16.213 1.00 0.00 O ATOM 1039 CB LEU A 85 -1.218 -7.850 -15.359 1.00 0.00 C ATOM 1040 CG LEU A 85 -0.697 -7.488 -13.961 1.00 0.00 C ATOM 1041 CD1 LEU A 85 0.327 -6.358 -14.073 1.00 0.00 C ATOM 1042 CD2 LEU A 85 -1.859 -7.024 -13.075 1.00 0.00 C ATOM 0 H LEU A 85 -2.412 -9.678 -13.325 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.449 -9.403 -16.269 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.393 -7.853 -16.071 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.927 -7.093 -15.696 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.230 -8.368 -13.518 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.696 -6.102 -13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.160 -6.682 -14.697 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.144 -5.483 -14.522 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.482 -6.769 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.329 -6.148 -13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.593 -7.825 -12.988 1.00 0.00 H new ATOM 1054 N ASP A 86 -0.381 -10.608 -14.066 1.00 0.00 N ATOM 1055 CA ASP A 86 0.590 -11.705 -13.887 1.00 0.00 C ATOM 1056 C ASP A 86 0.020 -12.678 -12.867 1.00 0.00 C ATOM 1057 O ASP A 86 0.673 -13.060 -11.917 1.00 0.00 O ATOM 1058 CB ASP A 86 1.869 -11.046 -13.366 1.00 0.00 C ATOM 1059 CG ASP A 86 3.084 -11.848 -13.834 1.00 0.00 C ATOM 1060 OD1 ASP A 86 3.422 -11.747 -15.003 1.00 0.00 O ATOM 1061 OD2 ASP A 86 3.657 -12.551 -13.017 1.00 0.00 O ATOM 0 H ASP A 86 -0.616 -10.095 -13.216 1.00 0.00 H new ATOM 0 HA ASP A 86 0.793 -12.256 -14.805 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.936 -10.020 -13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.849 -10.999 -12.277 1.00 0.00 H new ATOM 1066 N SER A 87 -1.223 -13.048 -13.046 1.00 0.00 N ATOM 1067 CA SER A 87 -1.895 -13.964 -12.080 1.00 0.00 C ATOM 1068 C SER A 87 -2.227 -13.183 -10.806 1.00 0.00 C ATOM 1069 O SER A 87 -2.757 -13.718 -9.852 1.00 0.00 O ATOM 1070 CB SER A 87 -0.888 -15.077 -11.795 1.00 0.00 C ATOM 1071 OG SER A 87 -1.505 -16.339 -12.015 1.00 0.00 O ATOM 0 H SER A 87 -1.805 -12.750 -13.829 1.00 0.00 H new ATOM 0 HA SER A 87 -2.826 -14.377 -12.467 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.017 -14.968 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.533 -15.007 -10.767 1.00 0.00 H new ATOM 0 HG SER A 87 -0.860 -17.054 -11.834 1.00 0.00 H new ATOM 1077 N LYS A 88 -1.910 -11.913 -10.791 1.00 0.00 N ATOM 1078 CA LYS A 88 -2.183 -11.074 -9.608 1.00 0.00 C ATOM 1079 C LYS A 88 -3.173 -9.978 -9.991 1.00 0.00 C ATOM 1080 O LYS A 88 -2.892 -9.162 -10.853 1.00 0.00 O ATOM 1081 CB LYS A 88 -0.839 -10.443 -9.224 1.00 0.00 C ATOM 1082 CG LYS A 88 0.321 -11.289 -9.750 1.00 0.00 C ATOM 1083 CD LYS A 88 0.208 -12.712 -9.201 1.00 0.00 C ATOM 1084 CE LYS A 88 1.551 -13.147 -8.612 1.00 0.00 C ATOM 1085 NZ LYS A 88 1.206 -14.178 -7.594 1.00 0.00 N ATOM 0 H LYS A 88 -1.466 -11.423 -11.568 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.606 -11.650 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.775 -9.434 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.769 -10.354 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.307 -11.307 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.272 -10.847 -9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.567 -12.756 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.090 -13.396 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.206 -13.555 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.076 -12.305 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.076 -14.527 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.587 -13.759 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.714 -14.970 -8.055 1.00 0.00 H new ATOM 1099 N THR A 89 -4.315 -9.949 -9.358 1.00 0.00 N ATOM 1100 CA THR A 89 -5.330 -8.900 -9.673 1.00 0.00 C ATOM 1101 C THR A 89 -5.139 -7.708 -8.739 1.00 0.00 C ATOM 1102 O THR A 89 -5.849 -7.551 -7.765 1.00 0.00 O ATOM 1103 CB THR A 89 -6.683 -9.567 -9.419 1.00 0.00 C ATOM 1104 OG1 THR A 89 -7.724 -8.631 -9.664 1.00 0.00 O ATOM 1105 CG2 THR A 89 -6.756 -10.042 -7.967 1.00 0.00 C ATOM 0 H THR A 89 -4.591 -10.610 -8.632 1.00 0.00 H new ATOM 0 HA THR A 89 -5.248 -8.530 -10.695 1.00 0.00 H new ATOM 0 HB THR A 89 -6.797 -10.422 -10.085 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.668 -8.314 -10.590 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.721 -10.517 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.957 -10.760 -7.778 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.642 -9.188 -7.299 1.00 0.00 H new ATOM 1113 N ILE A 90 -4.162 -6.888 -9.013 1.00 0.00 N ATOM 1114 CA ILE A 90 -3.904 -5.713 -8.120 1.00 0.00 C ATOM 1115 C ILE A 90 -5.215 -5.069 -7.689 1.00 0.00 C ATOM 1116 O ILE A 90 -6.270 -5.337 -8.229 1.00 0.00 O ATOM 1117 CB ILE A 90 -3.090 -4.655 -8.887 1.00 0.00 C ATOM 1118 CG1 ILE A 90 -2.547 -5.171 -10.226 1.00 0.00 C ATOM 1119 CG2 ILE A 90 -1.924 -4.212 -8.011 1.00 0.00 C ATOM 1120 CD1 ILE A 90 -1.455 -6.215 -9.984 1.00 0.00 C ATOM 0 H ILE A 90 -3.532 -6.976 -9.811 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.359 -6.065 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.759 -3.825 -9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.356 -5.609 -10.811 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.145 -4.342 -10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.336 -3.462 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.307 -3.786 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.294 -5.071 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.077 -6.574 -10.941 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.640 -5.764 -9.418 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.869 -7.051 -9.421 1.00 0.00 H new ATOM 1132 N ASP A 91 -5.143 -4.202 -6.727 1.00 0.00 N ATOM 1133 CA ASP A 91 -6.361 -3.512 -6.251 1.00 0.00 C ATOM 1134 C ASP A 91 -6.082 -2.015 -6.127 1.00 0.00 C ATOM 1135 O ASP A 91 -6.019 -1.489 -5.034 1.00 0.00 O ATOM 1136 CB ASP A 91 -6.615 -4.118 -4.878 1.00 0.00 C ATOM 1137 CG ASP A 91 -8.096 -3.984 -4.516 1.00 0.00 C ATOM 1138 OD1 ASP A 91 -8.469 -2.942 -4.002 1.00 0.00 O ATOM 1139 OD2 ASP A 91 -8.831 -4.926 -4.760 1.00 0.00 O ATOM 0 H ASP A 91 -4.283 -3.940 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.212 -3.629 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.324 -5.169 -4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.002 -3.616 -4.130 1.00 0.00 H new ATOM 1144 N PRO A 92 -5.918 -1.368 -7.251 1.00 0.00 N ATOM 1145 CA PRO A 92 -5.637 0.084 -7.257 1.00 0.00 C ATOM 1146 C PRO A 92 -6.640 0.810 -6.367 1.00 0.00 C ATOM 1147 O PRO A 92 -7.816 0.882 -6.667 1.00 0.00 O ATOM 1148 CB PRO A 92 -5.861 0.451 -8.724 1.00 0.00 C ATOM 1149 CG PRO A 92 -6.309 -0.813 -9.473 1.00 0.00 C ATOM 1150 CD PRO A 92 -6.009 -2.023 -8.577 1.00 0.00 C ATOM 0 HA PRO A 92 -4.647 0.349 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.617 1.231 -8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.944 0.847 -9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.373 -0.763 -9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.781 -0.901 -10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.800 -2.772 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.082 -2.524 -8.855 1.00 0.00 H new ATOM 1158 N LYS A 93 -6.184 1.360 -5.286 1.00 0.00 N ATOM 1159 CA LYS A 93 -7.114 2.099 -4.386 1.00 0.00 C ATOM 1160 C LYS A 93 -6.580 3.503 -4.123 1.00 0.00 C ATOM 1161 O LYS A 93 -5.608 3.699 -3.418 1.00 0.00 O ATOM 1162 CB LYS A 93 -7.211 1.295 -3.086 1.00 0.00 C ATOM 1163 CG LYS A 93 -5.828 0.825 -2.627 1.00 0.00 C ATOM 1164 CD LYS A 93 -5.442 1.558 -1.343 1.00 0.00 C ATOM 1165 CE LYS A 93 -6.391 1.146 -0.216 1.00 0.00 C ATOM 1166 NZ LYS A 93 -6.117 2.105 0.889 1.00 0.00 N ATOM 0 H LYS A 93 -5.211 1.333 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.100 2.207 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.667 1.908 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.861 0.433 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.836 -0.251 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.090 1.018 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.413 1.321 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.491 2.636 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.431 1.200 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.208 0.119 0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.731 1.886 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.121 2.026 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.307 3.074 0.563 1.00 0.00 H new ATOM 1180 N VAL A 94 -7.218 4.476 -4.698 1.00 0.00 N ATOM 1181 CA VAL A 94 -6.784 5.888 -4.514 1.00 0.00 C ATOM 1182 C VAL A 94 -7.604 6.537 -3.394 1.00 0.00 C ATOM 1183 O VAL A 94 -8.716 6.136 -3.117 1.00 0.00 O ATOM 1184 CB VAL A 94 -7.066 6.546 -5.866 1.00 0.00 C ATOM 1185 CG1 VAL A 94 -6.801 8.052 -5.786 1.00 0.00 C ATOM 1186 CG2 VAL A 94 -6.155 5.915 -6.928 1.00 0.00 C ATOM 0 H VAL A 94 -8.034 4.354 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.737 5.986 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.111 6.390 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.005 8.509 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.450 8.496 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.759 8.224 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.349 6.378 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.112 6.073 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.356 4.846 -6.991 1.00 0.00 H new ATOM 1196 N ALA A 95 -7.064 7.528 -2.742 1.00 0.00 N ATOM 1197 CA ALA A 95 -7.819 8.185 -1.636 1.00 0.00 C ATOM 1198 C ALA A 95 -8.855 9.161 -2.202 1.00 0.00 C ATOM 1199 O ALA A 95 -9.552 9.834 -1.467 1.00 0.00 O ATOM 1200 CB ALA A 95 -6.759 8.931 -0.827 1.00 0.00 C ATOM 0 H ALA A 95 -6.137 7.911 -2.925 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.368 7.467 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.234 9.444 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.024 8.221 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.262 9.661 -1.465 1.00 0.00 H new ATOM 1206 N PHE A 96 -8.966 9.244 -3.500 1.00 0.00 N ATOM 1207 CA PHE A 96 -9.959 10.177 -4.107 1.00 0.00 C ATOM 1208 C PHE A 96 -10.998 9.391 -4.924 1.00 0.00 C ATOM 1209 O PHE A 96 -10.653 8.759 -5.903 1.00 0.00 O ATOM 1210 CB PHE A 96 -9.135 11.080 -5.027 1.00 0.00 C ATOM 1211 CG PHE A 96 -8.937 12.428 -4.374 1.00 0.00 C ATOM 1212 CD1 PHE A 96 -8.907 12.533 -2.979 1.00 0.00 C ATOM 1213 CD2 PHE A 96 -8.782 13.573 -5.166 1.00 0.00 C ATOM 1214 CE1 PHE A 96 -8.723 13.782 -2.374 1.00 0.00 C ATOM 1215 CE2 PHE A 96 -8.598 14.822 -4.561 1.00 0.00 C ATOM 1216 CZ PHE A 96 -8.568 14.926 -3.165 1.00 0.00 C ATOM 0 H PHE A 96 -8.412 8.706 -4.167 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.507 10.744 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.169 10.620 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -9.642 11.200 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.026 11.650 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.804 13.492 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.701 13.863 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.479 15.705 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.425 15.890 -2.698 1.00 0.00 H new TER 1226 PHE A 96