USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 817 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 19 LYS NZ :NH3+ -113:sc= 0.0611 (180deg=0) USER MOD Set 1.2: A 48 HIS :FLIP no HE2:sc= -5.76! C(o=-9.3!,f=-5.7!) USER MOD Set 2.1: A 23 TYR OH : rot 157:sc= 0.421 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -0.889 K(o=-0.47,f=-1.1) USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= -0.319 F(o=-2.1,f=-0.4) USER MOD Set 3.2: A 33 THR OG1 : rot 12:sc= -0.0788 USER MOD Set 4.1: A 27 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.51) USER MOD Set 4.2: A 29 HIS : no HD1:sc= -0.0047 X(o=-0.43,f=-0.51) USER MOD Single : A 16 CYS SG : rot 150:sc= -0.365 USER MOD Single : A 17 GLN : amide:sc= 0.255 K(o=0.26,f=-2.2!) USER MOD Single : A 18 MET CE :methyl -133:sc= -0.355 (180deg=-1.71!) USER MOD Single : A 20 THR OG1 : rot -107:sc= 1.12 USER MOD Single : A 25 ASN : amide:sc= -0.156 K(o=-0.16,f=-3.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 34 SER OG : rot -145:sc= -0.751 USER MOD Single : A 42 ASN : amide:sc= -0.0252 K(o=-0.025,f=-3.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.046 (180deg=-0.298) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-5.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.57) USER MOD Single : A 68 GLN : amide:sc=-0.000835 K(o=-0.00084,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -121:sc= -0.0436 (180deg=-0.828) USER MOD Single : A 90 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.5!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.102 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 150:sc= -0.132 USER MOD Single : A 105 THR OG1 : rot -71:sc= 0.77 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 96:sc= 0.507 USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00778) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.873 6.763 -1.257 1.00 0.00 N ATOM 99 CA ASP A 10 12.670 7.080 -2.665 1.00 0.00 C ATOM 100 C ASP A 10 12.306 5.827 -3.457 1.00 0.00 C ATOM 101 O ASP A 10 11.381 5.841 -4.268 1.00 0.00 O ATOM 102 CB ASP A 10 13.928 7.720 -3.253 1.00 0.00 C ATOM 103 CG ASP A 10 14.639 8.617 -2.258 1.00 0.00 C ATOM 104 OD1 ASP A 10 14.145 9.736 -2.010 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.691 8.200 -1.729 1.00 0.00 O ATOM 0 HA ASP A 10 11.844 7.788 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.610 6.937 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.658 8.302 -4.135 1.00 0.00 H new ATOM 110 N ALA A 11 13.040 4.746 -3.214 1.00 0.00 N ATOM 111 CA ALA A 11 12.794 3.485 -3.903 1.00 0.00 C ATOM 112 C ALA A 11 11.359 3.016 -3.692 1.00 0.00 C ATOM 113 O ALA A 11 10.745 2.435 -4.589 1.00 0.00 O ATOM 114 CB ALA A 11 13.775 2.423 -3.428 1.00 0.00 C ATOM 0 H ALA A 11 13.810 4.718 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 11 12.942 3.648 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.579 1.487 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.794 2.749 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.655 2.271 -2.355 1.00 0.00 H new ATOM 120 N LEU A 12 10.827 3.269 -2.501 1.00 0.00 N ATOM 121 CA LEU A 12 9.464 2.870 -2.171 1.00 0.00 C ATOM 122 C LEU A 12 8.452 3.832 -2.786 1.00 0.00 C ATOM 123 O LEU A 12 7.580 3.425 -3.554 1.00 0.00 O ATOM 124 CB LEU A 12 9.279 2.821 -0.654 1.00 0.00 C ATOM 125 CG LEU A 12 8.010 2.129 -0.154 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.050 0.643 -0.476 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.837 2.347 1.342 1.00 0.00 C ATOM 0 H LEU A 12 11.320 3.749 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 12 9.292 1.876 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.140 2.314 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.285 3.843 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 12 7.154 2.569 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.139 0.167 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.125 0.506 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.914 0.189 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.929 1.848 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.696 1.935 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.762 3.415 1.548 1.00 0.00 H new ATOM 139 N LEU A 13 8.575 5.110 -2.445 1.00 0.00 N ATOM 140 CA LEU A 13 7.673 6.131 -2.966 1.00 0.00 C ATOM 141 C LEU A 13 7.456 5.953 -4.465 1.00 0.00 C ATOM 142 O LEU A 13 6.323 5.994 -4.949 1.00 0.00 O ATOM 143 CB LEU A 13 8.232 7.527 -2.683 1.00 0.00 C ATOM 144 CG LEU A 13 7.371 8.702 -3.147 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.102 8.796 -2.314 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.158 10.002 -3.073 1.00 0.00 C ATOM 0 H LEU A 13 9.291 5.464 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 13 6.712 6.022 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.392 7.622 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.209 7.608 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 13 7.087 8.532 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.502 9.638 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.529 7.875 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.365 8.943 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.529 10.827 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.473 10.179 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.037 9.932 -3.714 1.00 0.00 H new ATOM 158 N LEU A 14 8.547 5.752 -5.197 1.00 0.00 N ATOM 159 CA LEU A 14 8.476 5.564 -6.641 1.00 0.00 C ATOM 160 C LEU A 14 7.738 4.274 -6.987 1.00 0.00 C ATOM 161 O LEU A 14 6.952 4.232 -7.934 1.00 0.00 O ATOM 162 CB LEU A 14 9.883 5.536 -7.241 1.00 0.00 C ATOM 163 CG LEU A 14 9.987 5.050 -8.687 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.344 6.052 -9.634 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.441 4.811 -9.067 1.00 0.00 C ATOM 0 H LEU A 14 9.491 5.715 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 14 7.923 6.402 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.300 6.542 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.509 4.897 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 14 9.451 4.105 -8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.427 5.690 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.292 6.173 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.851 7.013 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.495 4.466 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.001 5.741 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.870 4.055 -8.409 1.00 0.00 H new ATOM 177 N TRP A 15 7.994 3.226 -6.213 1.00 0.00 N ATOM 178 CA TRP A 15 7.352 1.936 -6.437 1.00 0.00 C ATOM 179 C TRP A 15 5.836 2.088 -6.510 1.00 0.00 C ATOM 180 O TRP A 15 5.216 1.748 -7.519 1.00 0.00 O ATOM 181 CB TRP A 15 7.724 0.958 -5.322 1.00 0.00 C ATOM 182 CG TRP A 15 7.379 -0.466 -5.641 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.978 -1.265 -6.574 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.355 -1.257 -5.029 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.386 -2.505 -6.578 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.389 -2.527 -5.640 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.414 -1.018 -4.025 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.517 -3.549 -5.277 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.548 -2.034 -3.666 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.606 -3.288 -4.291 1.00 0.00 C ATOM 0 H TRP A 15 8.641 3.244 -5.425 1.00 0.00 H new ATOM 0 HA TRP A 15 7.706 1.543 -7.390 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.794 1.030 -5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.213 1.252 -4.405 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.795 -0.966 -7.213 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.647 -3.284 -7.183 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.364 -0.056 -3.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.558 -4.515 -5.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.815 -1.859 -2.892 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.918 -4.063 -3.988 1.00 0.00 H new ATOM 201 N CYS A 16 5.244 2.601 -5.437 1.00 0.00 N ATOM 202 CA CYS A 16 3.801 2.797 -5.380 1.00 0.00 C ATOM 203 C CYS A 16 3.332 3.719 -6.501 1.00 0.00 C ATOM 204 O CYS A 16 2.265 3.516 -7.079 1.00 0.00 O ATOM 205 CB CYS A 16 3.396 3.377 -4.023 1.00 0.00 C ATOM 206 SG CYS A 16 3.976 2.415 -2.607 1.00 0.00 S ATOM 0 H CYS A 16 5.742 2.889 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 16 3.323 1.826 -5.509 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.785 4.392 -3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.309 3.448 -3.980 1.00 0.00 H new ATOM 0 HG CYS A 16 4.173 3.207 -1.595 1.00 0.00 H new ATOM 212 N GLN A 17 4.138 4.733 -6.801 1.00 0.00 N ATOM 213 CA GLN A 17 3.804 5.688 -7.851 1.00 0.00 C ATOM 214 C GLN A 17 3.755 5.003 -9.213 1.00 0.00 C ATOM 215 O GLN A 17 2.881 5.289 -10.031 1.00 0.00 O ATOM 216 CB GLN A 17 4.825 6.828 -7.877 1.00 0.00 C ATOM 217 CG GLN A 17 4.469 7.984 -6.957 1.00 0.00 C ATOM 218 CD GLN A 17 5.236 9.249 -7.285 1.00 0.00 C ATOM 219 OE1 GLN A 17 5.616 9.478 -8.433 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.468 10.080 -6.276 1.00 0.00 N ATOM 0 H GLN A 17 5.026 4.914 -6.332 1.00 0.00 H new ATOM 0 HA GLN A 17 2.818 6.098 -7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.802 6.436 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.915 7.201 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.400 8.183 -7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.672 7.698 -5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.135 9.851 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.979 10.948 -6.437 1.00 0.00 H new ATOM 229 N MET A 18 4.700 4.100 -9.451 1.00 0.00 N ATOM 230 CA MET A 18 4.764 3.374 -10.714 1.00 0.00 C ATOM 231 C MET A 18 3.555 2.456 -10.875 1.00 0.00 C ATOM 232 O MET A 18 2.866 2.493 -11.895 1.00 0.00 O ATOM 233 CB MET A 18 6.053 2.557 -10.793 1.00 0.00 C ATOM 234 CG MET A 18 7.292 3.400 -11.049 1.00 0.00 C ATOM 235 SD MET A 18 8.697 2.417 -11.611 1.00 0.00 S ATOM 236 CE MET A 18 9.156 1.582 -10.095 1.00 0.00 C ATOM 0 H MET A 18 5.433 3.853 -8.785 1.00 0.00 H new ATOM 0 HA MET A 18 4.755 4.103 -11.524 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.183 2.008 -9.860 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.956 1.817 -11.588 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.062 4.159 -11.797 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.564 3.926 -10.134 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.234 1.652 -9.953 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.648 2.051 -9.253 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.866 0.533 -10.155 1.00 0.00 H new ATOM 246 N LYS A 19 3.304 1.633 -9.863 1.00 0.00 N ATOM 247 CA LYS A 19 2.180 0.707 -9.890 1.00 0.00 C ATOM 248 C LYS A 19 0.855 1.460 -9.973 1.00 0.00 C ATOM 249 O LYS A 19 0.085 1.283 -10.918 1.00 0.00 O ATOM 250 CB LYS A 19 2.195 -0.184 -8.646 1.00 0.00 C ATOM 251 CG LYS A 19 3.529 -0.866 -8.403 1.00 0.00 C ATOM 252 CD LYS A 19 3.947 -1.715 -9.592 1.00 0.00 C ATOM 253 CE LYS A 19 4.933 -2.798 -9.185 1.00 0.00 C ATOM 254 NZ LYS A 19 4.244 -3.997 -8.632 1.00 0.00 N ATOM 0 H LYS A 19 3.865 1.589 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 19 2.279 0.082 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.941 0.419 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.420 -0.944 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.293 -0.114 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.462 -1.492 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.066 -2.174 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.398 -1.079 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.530 -3.089 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.623 -2.400 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.470 -4.092 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.216 -3.891 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.564 -4.846 -9.140 1.00 0.00 H new ATOM 268 N THR A 20 0.596 2.303 -8.978 1.00 0.00 N ATOM 269 CA THR A 20 -0.634 3.084 -8.939 1.00 0.00 C ATOM 270 C THR A 20 -0.816 3.888 -10.221 1.00 0.00 C ATOM 271 O THR A 20 -1.938 4.220 -10.602 1.00 0.00 O ATOM 272 CB THR A 20 -0.650 4.046 -7.736 1.00 0.00 C ATOM 273 OG1 THR A 20 0.437 4.973 -7.835 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.550 3.277 -6.427 1.00 0.00 C ATOM 0 H THR A 20 1.222 2.462 -8.188 1.00 0.00 H new ATOM 0 HA THR A 20 -1.456 2.375 -8.839 1.00 0.00 H new ATOM 0 HB THR A 20 -1.594 4.591 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.123 4.745 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.563 3.977 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.395 2.594 -6.341 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.380 2.708 -6.409 1.00 0.00 H new ATOM 282 N ALA A 21 0.294 4.197 -10.882 1.00 0.00 N ATOM 283 CA ALA A 21 0.256 4.961 -12.124 1.00 0.00 C ATOM 284 C ALA A 21 -0.888 4.497 -13.018 1.00 0.00 C ATOM 285 O ALA A 21 -1.539 5.305 -13.680 1.00 0.00 O ATOM 286 CB ALA A 21 1.583 4.841 -12.857 1.00 0.00 C ATOM 0 H ALA A 21 1.231 3.931 -10.579 1.00 0.00 H new ATOM 0 HA ALA A 21 0.085 6.008 -11.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.541 5.416 -13.782 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.383 5.227 -12.226 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.777 3.794 -13.089 1.00 0.00 H new ATOM 292 N GLY A 22 -1.129 3.189 -13.034 1.00 0.00 N ATOM 293 CA GLY A 22 -2.195 2.640 -13.852 1.00 0.00 C ATOM 294 C GLY A 22 -3.496 3.402 -13.697 1.00 0.00 C ATOM 295 O GLY A 22 -4.149 3.738 -14.685 1.00 0.00 O ATOM 0 H GLY A 22 -0.605 2.500 -12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.891 2.656 -14.899 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.355 1.596 -13.582 1.00 0.00 H new ATOM 299 N TYR A 23 -3.875 3.675 -12.453 1.00 0.00 N ATOM 300 CA TYR A 23 -5.108 4.399 -12.171 1.00 0.00 C ATOM 301 C TYR A 23 -4.852 5.901 -12.088 1.00 0.00 C ATOM 302 O TYR A 23 -3.910 6.362 -11.445 1.00 0.00 O ATOM 303 CB TYR A 23 -5.727 3.903 -10.863 1.00 0.00 C ATOM 304 CG TYR A 23 -5.514 2.427 -10.613 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.316 1.958 -10.089 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.510 1.503 -10.901 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.116 0.610 -9.860 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.320 0.154 -10.674 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.121 -0.288 -10.154 1.00 0.00 C ATOM 310 OH TYR A 23 -4.927 -1.631 -9.925 1.00 0.00 O ATOM 0 H TYR A 23 -3.345 3.405 -11.624 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.804 4.212 -12.989 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.303 4.468 -10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.797 4.110 -10.876 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.528 2.659 -9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.449 1.845 -11.310 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.178 0.262 -9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.106 -0.551 -10.902 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.795 -2.074 -9.823 1.00 0.00 H new ATOM 320 N PRO A 24 -5.713 6.684 -12.756 1.00 0.00 N ATOM 321 CA PRO A 24 -5.604 8.146 -12.773 1.00 0.00 C ATOM 322 C PRO A 24 -5.933 8.768 -11.420 1.00 0.00 C ATOM 323 O PRO A 24 -5.167 9.575 -10.895 1.00 0.00 O ATOM 324 CB PRO A 24 -6.636 8.566 -13.821 1.00 0.00 C ATOM 325 CG PRO A 24 -7.633 7.460 -13.837 1.00 0.00 C ATOM 326 CD PRO A 24 -6.860 6.203 -13.543 1.00 0.00 C ATOM 0 HA PRO A 24 -4.590 8.477 -12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.103 9.515 -13.559 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.175 8.697 -14.800 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.410 7.624 -13.091 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.129 7.396 -14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.459 5.485 -12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.539 5.705 -14.458 1.00 0.00 H new ATOM 334 N ASN A 25 -7.077 8.387 -10.862 1.00 0.00 N ATOM 335 CA ASN A 25 -7.508 8.908 -9.570 1.00 0.00 C ATOM 336 C ASN A 25 -6.438 8.679 -8.507 1.00 0.00 C ATOM 337 O ASN A 25 -6.128 9.574 -7.720 1.00 0.00 O ATOM 338 CB ASN A 25 -8.820 8.246 -9.141 1.00 0.00 C ATOM 339 CG ASN A 25 -8.949 6.828 -9.662 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.208 6.611 -10.845 1.00 0.00 O ATOM 341 ND2 ASN A 25 -8.767 5.854 -8.777 1.00 0.00 N ATOM 0 H ASN A 25 -7.722 7.719 -11.284 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.668 9.981 -9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.881 8.237 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.659 8.841 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.840 4.879 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.554 6.081 -7.806 1.00 0.00 H new ATOM 348 N VAL A 26 -5.877 7.474 -8.490 1.00 0.00 N ATOM 349 CA VAL A 26 -4.840 7.127 -7.525 1.00 0.00 C ATOM 350 C VAL A 26 -3.551 7.891 -7.805 1.00 0.00 C ATOM 351 O VAL A 26 -3.114 7.992 -8.950 1.00 0.00 O ATOM 352 CB VAL A 26 -4.542 5.616 -7.541 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.528 5.261 -6.464 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.825 4.819 -7.361 1.00 0.00 C ATOM 0 H VAL A 26 -6.123 6.722 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.217 7.405 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.113 5.357 -8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.330 4.190 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.601 5.806 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.926 5.533 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.596 3.753 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.284 5.079 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.515 5.052 -8.172 1.00 0.00 H new ATOM 364 N ASN A 27 -2.947 8.428 -6.750 1.00 0.00 N ATOM 365 CA ASN A 27 -1.707 9.184 -6.882 1.00 0.00 C ATOM 366 C ASN A 27 -0.911 9.156 -5.581 1.00 0.00 C ATOM 367 O ASN A 27 -1.425 9.508 -4.519 1.00 0.00 O ATOM 368 CB ASN A 27 -2.006 10.631 -7.279 1.00 0.00 C ATOM 369 CG ASN A 27 -2.431 11.480 -6.096 1.00 0.00 C ATOM 370 OD1 ASN A 27 -3.560 11.376 -5.617 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.524 12.324 -5.618 1.00 0.00 N ATOM 0 H ASN A 27 -3.296 8.354 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.108 8.717 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.120 11.069 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.794 10.643 -8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.751 12.920 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.600 12.376 -6.047 1.00 0.00 H new ATOM 378 N VAL A 28 0.347 8.737 -5.671 1.00 0.00 N ATOM 379 CA VAL A 28 1.215 8.665 -4.501 1.00 0.00 C ATOM 380 C VAL A 28 2.304 9.730 -4.559 1.00 0.00 C ATOM 381 O VAL A 28 3.461 9.433 -4.864 1.00 0.00 O ATOM 382 CB VAL A 28 1.873 7.278 -4.376 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.774 7.224 -3.152 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.812 6.189 -4.314 1.00 0.00 C ATOM 0 H VAL A 28 0.788 8.442 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 28 0.586 8.840 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 28 2.488 7.105 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.230 6.237 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.555 7.979 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.183 7.417 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.294 5.216 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.170 6.355 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.211 6.215 -5.223 1.00 0.00 H new ATOM 394 N HIS A 29 1.929 10.970 -4.264 1.00 0.00 N ATOM 395 CA HIS A 29 2.875 12.079 -4.282 1.00 0.00 C ATOM 396 C HIS A 29 3.561 12.230 -2.927 1.00 0.00 C ATOM 397 O HIS A 29 4.726 12.620 -2.851 1.00 0.00 O ATOM 398 CB HIS A 29 2.163 13.380 -4.652 1.00 0.00 C ATOM 399 CG HIS A 29 1.772 13.458 -6.096 1.00 0.00 C ATOM 400 ND1 HIS A 29 0.734 14.244 -6.553 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.287 12.846 -7.188 1.00 0.00 C ATOM 402 CE1 HIS A 29 0.627 14.109 -7.863 1.00 0.00 C ATOM 403 NE2 HIS A 29 1.559 13.267 -8.273 1.00 0.00 N ATOM 0 H HIS A 29 0.977 11.232 -4.010 1.00 0.00 H new ATOM 0 HA HIS A 29 3.635 11.863 -5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.270 13.484 -4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.814 14.221 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.117 12.155 -7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.099 14.603 -8.492 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.713 12.977 -9.239 1.00 0.00 H new ATOM 412 N ASN A 30 2.831 11.918 -1.862 1.00 0.00 N ATOM 413 CA ASN A 30 3.369 12.019 -0.510 1.00 0.00 C ATOM 414 C ASN A 30 3.040 10.770 0.302 1.00 0.00 C ATOM 415 O ASN A 30 2.392 9.848 -0.193 1.00 0.00 O ATOM 416 CB ASN A 30 2.811 13.258 0.192 1.00 0.00 C ATOM 417 CG ASN A 30 1.412 13.609 -0.279 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.478 12.683 -0.094 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.174 14.698 -0.801 1.00 0.00 N flip ATOM 0 H ASN A 30 1.865 11.593 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 30 4.453 12.108 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.797 13.087 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.475 14.104 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.923 15.380 -0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.228 14.919 -1.111 1.00 0.00 H new ATOM 426 N PHE A 31 3.491 10.747 1.551 1.00 0.00 N ATOM 427 CA PHE A 31 3.246 9.613 2.433 1.00 0.00 C ATOM 428 C PHE A 31 2.290 9.995 3.559 1.00 0.00 C ATOM 429 O PHE A 31 2.224 9.323 4.589 1.00 0.00 O ATOM 430 CB PHE A 31 4.563 9.099 3.018 1.00 0.00 C ATOM 431 CG PHE A 31 5.308 8.174 2.099 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.768 6.948 1.742 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.547 8.530 1.591 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.453 6.095 0.897 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.235 7.680 0.745 1.00 0.00 C ATOM 436 CZ PHE A 31 6.686 6.462 0.397 1.00 0.00 C ATOM 0 H PHE A 31 4.029 11.502 1.976 1.00 0.00 H new ATOM 0 HA PHE A 31 2.786 8.820 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.201 9.950 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.357 8.580 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.802 6.656 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.980 9.482 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.023 5.141 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.201 7.968 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.221 5.797 -0.265 1.00 0.00 H new ATOM 446 N THR A 32 1.549 11.079 3.356 1.00 0.00 N ATOM 447 CA THR A 32 0.598 11.554 4.353 1.00 0.00 C ATOM 448 C THR A 32 -0.798 11.699 3.757 1.00 0.00 C ATOM 449 O THR A 32 -1.697 10.913 4.056 1.00 0.00 O ATOM 450 CB THR A 32 1.034 12.907 4.946 1.00 0.00 C ATOM 451 OG1 THR A 32 1.213 13.866 3.899 1.00 0.00 O ATOM 452 CG2 THR A 32 2.327 12.760 5.734 1.00 0.00 C ATOM 0 H THR A 32 1.589 11.646 2.509 1.00 0.00 H new ATOM 0 HA THR A 32 0.575 10.808 5.148 1.00 0.00 H new ATOM 0 HB THR A 32 0.252 13.252 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.488 14.724 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.616 13.728 6.143 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.178 12.051 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.115 12.395 5.075 1.00 0.00 H new ATOM 460 N THR A 33 -0.972 12.709 2.911 1.00 0.00 N ATOM 461 CA THR A 33 -2.258 12.958 2.273 1.00 0.00 C ATOM 462 C THR A 33 -2.420 12.113 1.015 1.00 0.00 C ATOM 463 O THR A 33 -3.043 12.542 0.043 1.00 0.00 O ATOM 464 CB THR A 33 -2.424 14.445 1.903 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.431 14.825 0.945 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.309 15.325 3.139 1.00 0.00 C ATOM 0 H THR A 33 -0.238 13.368 2.652 1.00 0.00 H new ATOM 0 HA THR A 33 -3.027 12.683 2.995 1.00 0.00 H new ATOM 0 HB THR A 33 -3.415 14.582 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.989 14.023 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.429 16.370 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.086 15.052 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.330 15.184 3.596 1.00 0.00 H new ATOM 474 N SER A 34 -1.858 10.909 1.040 1.00 0.00 N ATOM 475 CA SER A 34 -1.938 10.004 -0.101 1.00 0.00 C ATOM 476 C SER A 34 -2.597 8.687 0.296 1.00 0.00 C ATOM 477 O SER A 34 -3.230 8.023 -0.526 1.00 0.00 O ATOM 478 CB SER A 34 -0.542 9.739 -0.667 1.00 0.00 C ATOM 479 OG SER A 34 -0.581 8.744 -1.676 1.00 0.00 O ATOM 0 H SER A 34 -1.342 10.537 1.838 1.00 0.00 H new ATOM 0 HA SER A 34 -2.549 10.479 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.131 10.662 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.125 9.422 0.135 1.00 0.00 H new ATOM 0 HG SER A 34 0.236 8.205 -1.636 1.00 0.00 H new ATOM 485 N TRP A 35 -2.442 8.313 1.561 1.00 0.00 N ATOM 486 CA TRP A 35 -3.022 7.074 2.069 1.00 0.00 C ATOM 487 C TRP A 35 -4.147 7.364 3.057 1.00 0.00 C ATOM 488 O TRP A 35 -4.733 6.446 3.630 1.00 0.00 O ATOM 489 CB TRP A 35 -1.945 6.221 2.739 1.00 0.00 C ATOM 490 CG TRP A 35 -0.658 6.177 1.971 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.288 7.159 1.900 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.178 5.094 1.165 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.327 6.753 1.097 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.066 5.490 0.636 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.676 3.830 0.842 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.814 4.667 -0.200 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.068 3.014 0.011 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.302 3.434 -0.502 1.00 0.00 C ATOM 0 H TRP A 35 -1.920 8.849 2.254 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.439 6.524 1.225 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.751 6.613 3.737 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.321 5.205 2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.229 8.114 2.401 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.158 7.303 0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.625 3.496 1.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.765 4.990 -0.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.309 2.035 -0.247 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.860 2.772 -1.148 1.00 0.00 H new ATOM 509 N ARG A 36 -4.443 8.645 3.250 1.00 0.00 N ATOM 510 CA ARG A 36 -5.497 9.055 4.170 1.00 0.00 C ATOM 511 C ARG A 36 -6.839 8.453 3.762 1.00 0.00 C ATOM 512 O ARG A 36 -7.540 7.862 4.583 1.00 0.00 O ATOM 513 CB ARG A 36 -5.602 10.580 4.212 1.00 0.00 C ATOM 514 CG ARG A 36 -6.476 11.100 5.342 1.00 0.00 C ATOM 515 CD ARG A 36 -7.145 12.414 4.969 1.00 0.00 C ATOM 516 NE ARG A 36 -8.266 12.726 5.852 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.195 13.633 5.568 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.135 14.313 4.431 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.184 13.860 6.421 1.00 0.00 N ATOM 0 H ARG A 36 -3.968 9.417 2.782 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.240 8.688 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.602 11.002 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.002 10.934 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.237 10.359 5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.870 11.240 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.412 13.220 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.498 12.362 3.939 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.340 12.220 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.375 14.140 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.849 15.009 4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.232 13.338 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.896 14.556 6.202 1.00 0.00 H new ATOM 533 N ASP A 37 -7.188 8.607 2.490 1.00 0.00 N ATOM 534 CA ASP A 37 -8.445 8.078 1.972 1.00 0.00 C ATOM 535 C ASP A 37 -8.467 6.555 2.052 1.00 0.00 C ATOM 536 O ASP A 37 -9.283 5.973 2.766 1.00 0.00 O ATOM 537 CB ASP A 37 -8.656 8.530 0.526 1.00 0.00 C ATOM 538 CG ASP A 37 -9.179 9.949 0.433 1.00 0.00 C ATOM 539 OD1 ASP A 37 -8.459 10.877 0.857 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.310 10.133 -0.066 1.00 0.00 O ATOM 0 H ASP A 37 -6.618 9.094 1.798 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.256 8.467 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.713 8.457 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.357 7.855 0.036 1.00 0.00 H new ATOM 545 N GLY A 38 -7.567 5.916 1.312 1.00 0.00 N ATOM 546 CA GLY A 38 -7.501 4.466 1.313 1.00 0.00 C ATOM 547 C GLY A 38 -7.313 3.894 -0.079 1.00 0.00 C ATOM 548 O GLY A 38 -6.651 2.870 -0.254 1.00 0.00 O ATOM 0 H GLY A 38 -6.882 6.376 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.677 4.143 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.416 4.064 1.747 1.00 0.00 H new ATOM 552 N LEU A 39 -7.898 4.554 -1.072 1.00 0.00 N ATOM 553 CA LEU A 39 -7.793 4.105 -2.456 1.00 0.00 C ATOM 554 C LEU A 39 -6.385 3.603 -2.761 1.00 0.00 C ATOM 555 O LEU A 39 -6.208 2.543 -3.358 1.00 0.00 O ATOM 556 CB LEU A 39 -8.160 5.241 -3.412 1.00 0.00 C ATOM 557 CG LEU A 39 -9.646 5.590 -3.499 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.859 6.794 -4.405 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.446 4.396 -3.999 1.00 0.00 C ATOM 0 H LEU A 39 -8.450 5.402 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.491 3.280 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.614 6.135 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.810 4.977 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.999 5.846 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.922 7.028 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.317 7.651 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.490 6.567 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.501 4.663 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.092 4.109 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.319 3.559 -3.312 1.00 0.00 H new ATOM 571 N ALA A 40 -5.386 4.374 -2.344 1.00 0.00 N ATOM 572 CA ALA A 40 -3.993 4.007 -2.568 1.00 0.00 C ATOM 573 C ALA A 40 -3.747 2.544 -2.216 1.00 0.00 C ATOM 574 O ALA A 40 -3.305 1.758 -3.053 1.00 0.00 O ATOM 575 CB ALA A 40 -3.072 4.908 -1.760 1.00 0.00 C ATOM 0 H ALA A 40 -5.515 5.257 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.775 4.140 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.035 4.622 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.219 5.945 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.300 4.804 -0.699 1.00 0.00 H new ATOM 581 N PHE A 41 -4.038 2.184 -0.969 1.00 0.00 N ATOM 582 CA PHE A 41 -3.846 0.815 -0.505 1.00 0.00 C ATOM 583 C PHE A 41 -4.669 -0.162 -1.339 1.00 0.00 C ATOM 584 O PHE A 41 -4.228 -1.275 -1.624 1.00 0.00 O ATOM 585 CB PHE A 41 -4.235 0.696 0.970 1.00 0.00 C ATOM 586 CG PHE A 41 -3.279 1.387 1.900 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.936 1.047 1.912 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.723 2.376 2.763 1.00 0.00 C ATOM 589 CE1 PHE A 41 -1.053 1.682 2.767 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.846 3.014 3.618 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.509 2.666 3.621 1.00 0.00 C ATOM 0 H PHE A 41 -4.407 2.821 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.791 0.564 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.232 1.115 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.292 -0.359 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.574 0.277 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.767 2.651 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.008 1.408 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.205 3.785 4.284 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.822 3.163 4.290 1.00 0.00 H new ATOM 601 N ASN A 42 -5.866 0.263 -1.728 1.00 0.00 N ATOM 602 CA ASN A 42 -6.751 -0.575 -2.529 1.00 0.00 C ATOM 603 C ASN A 42 -6.325 -0.572 -3.994 1.00 0.00 C ATOM 604 O ASN A 42 -6.976 -1.182 -4.842 1.00 0.00 O ATOM 605 CB ASN A 42 -8.197 -0.088 -2.407 1.00 0.00 C ATOM 606 CG ASN A 42 -8.711 -0.159 -0.981 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.920 -1.243 -0.438 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.919 1.002 -0.370 1.00 0.00 N ATOM 0 H ASN A 42 -6.246 1.182 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.684 -1.595 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.263 0.940 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.837 -0.691 -3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.266 1.019 0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.732 1.877 -0.860 1.00 0.00 H new ATOM 615 N ALA A 43 -5.227 0.119 -4.284 1.00 0.00 N ATOM 616 CA ALA A 43 -4.712 0.200 -5.644 1.00 0.00 C ATOM 617 C ALA A 43 -3.554 -0.771 -5.851 1.00 0.00 C ATOM 618 O ALA A 43 -3.421 -1.377 -6.915 1.00 0.00 O ATOM 619 CB ALA A 43 -4.273 1.622 -5.960 1.00 0.00 C ATOM 0 H ALA A 43 -4.677 0.631 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.514 -0.080 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.891 1.667 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.124 2.296 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.489 1.924 -5.265 1.00 0.00 H new ATOM 625 N ILE A 44 -2.717 -0.913 -4.828 1.00 0.00 N ATOM 626 CA ILE A 44 -1.571 -1.810 -4.898 1.00 0.00 C ATOM 627 C ILE A 44 -2.015 -3.261 -5.046 1.00 0.00 C ATOM 628 O ILE A 44 -1.569 -3.971 -5.948 1.00 0.00 O ATOM 629 CB ILE A 44 -0.679 -1.683 -3.650 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.226 -0.233 -3.465 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.523 -2.610 -3.759 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.209 0.088 -2.052 1.00 0.00 C ATOM 0 H ILE A 44 -2.812 -0.418 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.996 -1.518 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.260 -1.977 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.600 -0.029 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.042 0.433 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.143 -2.508 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.181 -3.641 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.107 -2.346 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.517 1.132 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.622 -0.084 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.046 -0.553 -1.775 1.00 0.00 H new ATOM 644 N VAL A 45 -2.902 -3.696 -4.156 1.00 0.00 N ATOM 645 CA VAL A 45 -3.411 -5.062 -4.188 1.00 0.00 C ATOM 646 C VAL A 45 -4.160 -5.339 -5.487 1.00 0.00 C ATOM 647 O VAL A 45 -3.782 -6.221 -6.258 1.00 0.00 O ATOM 648 CB VAL A 45 -4.349 -5.340 -2.999 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.901 -6.754 -3.073 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.620 -5.111 -1.682 1.00 0.00 C ATOM 0 H VAL A 45 -3.283 -3.122 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.547 -5.723 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.188 -4.646 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.562 -6.932 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.460 -6.878 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.078 -7.468 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.297 -5.312 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.762 -5.780 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.279 -4.077 -1.630 1.00 0.00 H new ATOM 660 N HIS A 46 -5.224 -4.578 -5.724 1.00 0.00 N ATOM 661 CA HIS A 46 -6.026 -4.740 -6.931 1.00 0.00 C ATOM 662 C HIS A 46 -5.140 -5.038 -8.137 1.00 0.00 C ATOM 663 O HIS A 46 -5.509 -5.819 -9.014 1.00 0.00 O ATOM 664 CB HIS A 46 -6.855 -3.481 -7.191 1.00 0.00 C ATOM 665 CG HIS A 46 -7.860 -3.642 -8.289 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.591 -3.335 -9.607 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.139 -4.082 -8.261 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.662 -3.579 -10.341 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.616 -4.033 -9.548 1.00 0.00 N ATOM 0 H HIS A 46 -5.550 -3.843 -5.096 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.699 -5.584 -6.779 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.373 -3.201 -6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.184 -2.659 -7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.684 -4.411 -7.388 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.744 -3.432 -11.408 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.554 -4.303 -9.843 1.00 0.00 H new ATOM 678 N LYS A 47 -3.970 -4.410 -8.174 1.00 0.00 N ATOM 679 CA LYS A 47 -3.030 -4.608 -9.271 1.00 0.00 C ATOM 680 C LYS A 47 -2.564 -6.060 -9.333 1.00 0.00 C ATOM 681 O LYS A 47 -2.493 -6.654 -10.410 1.00 0.00 O ATOM 682 CB LYS A 47 -1.823 -3.681 -9.109 1.00 0.00 C ATOM 683 CG LYS A 47 -0.886 -3.687 -10.306 1.00 0.00 C ATOM 684 CD LYS A 47 -1.353 -2.722 -11.383 1.00 0.00 C ATOM 685 CE LYS A 47 -0.230 -2.385 -12.352 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.083 -3.421 -13.413 1.00 0.00 N ATOM 0 H LYS A 47 -3.650 -3.759 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.542 -4.369 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.177 -2.664 -8.940 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.265 -3.976 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.119 -3.416 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.828 -4.694 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.188 -3.161 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.722 -1.807 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.427 -1.418 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.707 -2.291 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.692 -3.155 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.130 -4.339 -12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.969 -3.493 -13.953 1.00 0.00 H new ATOM 700 N HIS A 48 -2.249 -6.626 -8.172 1.00 0.00 N ATOM 701 CA HIS A 48 -1.792 -8.009 -8.096 1.00 0.00 C ATOM 702 C HIS A 48 -2.971 -8.975 -8.173 1.00 0.00 C ATOM 703 O HIS A 48 -2.947 -9.939 -8.938 1.00 0.00 O ATOM 704 CB HIS A 48 -1.012 -8.240 -6.801 1.00 0.00 C ATOM 705 CG HIS A 48 -0.066 -7.127 -6.467 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.125 -6.445 -5.313 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.824 -6.597 -7.376 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.117 -5.524 -5.545 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.522 -5.637 -6.797 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.302 -6.149 -7.272 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.135 -8.196 -8.945 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.717 -8.366 -5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.451 -9.171 -6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.375 -6.588 -4.435 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.934 -6.917 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.503 -4.822 -4.821 1.00 0.00 H new ATOM 718 N ARG A 49 -3.999 -8.711 -7.372 1.00 0.00 N ATOM 719 CA ARG A 49 -5.186 -9.559 -7.349 1.00 0.00 C ATOM 720 C ARG A 49 -6.456 -8.718 -7.425 1.00 0.00 C ATOM 721 O ARG A 49 -7.000 -8.276 -6.413 1.00 0.00 O ATOM 722 CB ARG A 49 -5.203 -10.413 -6.079 1.00 0.00 C ATOM 723 CG ARG A 49 -3.957 -11.267 -5.904 1.00 0.00 C ATOM 724 CD ARG A 49 -3.974 -12.474 -6.829 1.00 0.00 C ATOM 725 NE ARG A 49 -5.039 -13.412 -6.486 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.923 -14.345 -5.548 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.794 -14.465 -4.864 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.937 -15.162 -5.293 1.00 0.00 N ATOM 0 H ARG A 49 -4.034 -7.918 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.152 -10.214 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.310 -9.760 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.078 -11.062 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.071 -10.665 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.886 -11.601 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.103 -12.140 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.012 -12.984 -6.778 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.921 -13.347 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.012 -13.840 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.708 -15.182 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.807 -15.074 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.846 -15.878 -4.572 1.00 0.00 H new ATOM 742 N PRO A 50 -6.942 -8.490 -8.655 1.00 0.00 N ATOM 743 CA PRO A 50 -8.153 -7.701 -8.893 1.00 0.00 C ATOM 744 C PRO A 50 -9.414 -8.417 -8.422 1.00 0.00 C ATOM 745 O PRO A 50 -10.518 -7.877 -8.513 1.00 0.00 O ATOM 746 CB PRO A 50 -8.173 -7.530 -10.415 1.00 0.00 C ATOM 747 CG PRO A 50 -7.403 -8.694 -10.935 1.00 0.00 C ATOM 748 CD PRO A 50 -6.346 -8.985 -9.906 1.00 0.00 C ATOM 0 HA PRO A 50 -8.139 -6.759 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.193 -7.526 -10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.716 -6.587 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.052 -9.557 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.954 -8.465 -11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.122 -10.050 -9.850 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.411 -8.474 -10.135 1.00 0.00 H new ATOM 756 N ASP A 51 -9.244 -9.634 -7.917 1.00 0.00 N ATOM 757 CA ASP A 51 -10.368 -10.423 -7.428 1.00 0.00 C ATOM 758 C ASP A 51 -10.655 -10.114 -5.962 1.00 0.00 C ATOM 759 O ASP A 51 -11.806 -9.918 -5.571 1.00 0.00 O ATOM 760 CB ASP A 51 -10.084 -11.916 -7.601 1.00 0.00 C ATOM 761 CG ASP A 51 -11.233 -12.784 -7.125 1.00 0.00 C ATOM 762 OD1 ASP A 51 -12.330 -12.690 -7.716 1.00 0.00 O ATOM 763 OD2 ASP A 51 -11.036 -13.556 -6.164 1.00 0.00 O ATOM 0 H ASP A 51 -8.338 -10.095 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.248 -10.157 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.886 -12.126 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.182 -12.178 -7.048 1.00 0.00 H new ATOM 768 N LEU A 52 -9.601 -10.072 -5.155 1.00 0.00 N ATOM 769 CA LEU A 52 -9.738 -9.787 -3.731 1.00 0.00 C ATOM 770 C LEU A 52 -10.762 -8.681 -3.493 1.00 0.00 C ATOM 771 O LEU A 52 -11.767 -8.888 -2.812 1.00 0.00 O ATOM 772 CB LEU A 52 -8.387 -9.381 -3.139 1.00 0.00 C ATOM 773 CG LEU A 52 -7.280 -10.435 -3.210 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.073 -9.996 -2.396 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.794 -11.782 -2.722 1.00 0.00 C ATOM 0 H LEU A 52 -8.642 -10.232 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.087 -10.694 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.042 -8.485 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.537 -9.110 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.972 -10.542 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.296 -10.758 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.691 -9.055 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.366 -9.861 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.993 -12.519 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.130 -11.691 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.627 -12.102 -3.348 1.00 0.00 H new ATOM 787 N LEU A 53 -10.501 -7.508 -4.061 1.00 0.00 N ATOM 788 CA LEU A 53 -11.402 -6.371 -3.913 1.00 0.00 C ATOM 789 C LEU A 53 -11.727 -5.753 -5.270 1.00 0.00 C ATOM 790 O LEU A 53 -10.968 -5.901 -6.227 1.00 0.00 O ATOM 791 CB LEU A 53 -10.777 -5.317 -2.998 1.00 0.00 C ATOM 792 CG LEU A 53 -9.559 -4.579 -3.556 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.095 -3.505 -2.585 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.432 -5.558 -3.851 1.00 0.00 C ATOM 0 H LEU A 53 -9.674 -7.320 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.329 -6.729 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.541 -4.580 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.487 -5.801 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.847 -4.095 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.228 -2.991 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.900 -2.788 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.824 -3.966 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.573 -5.016 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.145 -6.070 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.769 -6.290 -4.585 1.00 0.00 H new ATOM 806 N ASP A 54 -12.858 -5.061 -5.343 1.00 0.00 N ATOM 807 CA ASP A 54 -13.283 -4.419 -6.582 1.00 0.00 C ATOM 808 C ASP A 54 -13.020 -2.916 -6.532 1.00 0.00 C ATOM 809 O ASP A 54 -13.936 -2.122 -6.324 1.00 0.00 O ATOM 810 CB ASP A 54 -14.768 -4.681 -6.834 1.00 0.00 C ATOM 811 CG ASP A 54 -15.075 -6.155 -7.000 1.00 0.00 C ATOM 812 OD1 ASP A 54 -15.031 -6.888 -5.990 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.360 -6.578 -8.140 1.00 0.00 O ATOM 0 H ASP A 54 -13.497 -4.930 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.703 -4.845 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.350 -4.283 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.082 -4.144 -7.729 1.00 0.00 H new ATOM 818 N PHE A 55 -11.761 -2.535 -6.724 1.00 0.00 N ATOM 819 CA PHE A 55 -11.376 -1.128 -6.699 1.00 0.00 C ATOM 820 C PHE A 55 -12.412 -0.269 -7.418 1.00 0.00 C ATOM 821 O PHE A 55 -12.819 0.778 -6.917 1.00 0.00 O ATOM 822 CB PHE A 55 -10.003 -0.943 -7.348 1.00 0.00 C ATOM 823 CG PHE A 55 -9.364 0.379 -7.029 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.191 0.782 -5.715 1.00 0.00 C ATOM 825 CD2 PHE A 55 -8.938 1.221 -8.045 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.603 1.997 -5.418 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.349 2.436 -7.755 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.183 2.826 -6.440 1.00 0.00 C ATOM 0 H PHE A 55 -10.991 -3.180 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.324 -0.808 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.343 -1.746 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.105 -1.037 -8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.520 0.139 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.068 0.923 -9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.472 2.298 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.018 3.081 -8.556 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.726 3.777 -6.212 1.00 0.00 H new ATOM 838 N GLU A 56 -12.831 -0.720 -8.596 1.00 0.00 N ATOM 839 CA GLU A 56 -13.818 0.008 -9.385 1.00 0.00 C ATOM 840 C GLU A 56 -15.122 0.171 -8.610 1.00 0.00 C ATOM 841 O GLU A 56 -15.770 1.215 -8.674 1.00 0.00 O ATOM 842 CB GLU A 56 -14.084 -0.717 -10.706 1.00 0.00 C ATOM 843 CG GLU A 56 -14.764 -2.064 -10.534 1.00 0.00 C ATOM 844 CD GLU A 56 -14.754 -2.889 -11.807 1.00 0.00 C ATOM 845 OE1 GLU A 56 -13.733 -3.557 -12.073 1.00 0.00 O ATOM 846 OE2 GLU A 56 -15.768 -2.867 -12.535 1.00 0.00 O ATOM 0 H GLU A 56 -12.503 -1.585 -9.025 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.416 0.999 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.705 -0.084 -11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.138 -0.861 -11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.265 -2.620 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.794 -1.909 -10.214 1.00 0.00 H new ATOM 853 N SER A 57 -15.502 -0.872 -7.877 1.00 0.00 N ATOM 854 CA SER A 57 -16.731 -0.847 -7.093 1.00 0.00 C ATOM 855 C SER A 57 -16.604 0.111 -5.913 1.00 0.00 C ATOM 856 O SER A 57 -17.521 0.879 -5.620 1.00 0.00 O ATOM 857 CB SER A 57 -17.067 -2.253 -6.588 1.00 0.00 C ATOM 858 OG SER A 57 -18.349 -2.285 -5.986 1.00 0.00 O ATOM 0 H SER A 57 -14.976 -1.744 -7.810 1.00 0.00 H new ATOM 0 HA SER A 57 -17.537 -0.497 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.034 -2.959 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.315 -2.573 -5.867 1.00 0.00 H new ATOM 0 HG SER A 57 -18.541 -3.194 -5.673 1.00 0.00 H new ATOM 864 N LEU A 58 -15.460 0.061 -5.239 1.00 0.00 N ATOM 865 CA LEU A 58 -15.211 0.925 -4.091 1.00 0.00 C ATOM 866 C LEU A 58 -15.559 2.375 -4.413 1.00 0.00 C ATOM 867 O LEU A 58 -15.302 2.857 -5.517 1.00 0.00 O ATOM 868 CB LEU A 58 -13.746 0.825 -3.661 1.00 0.00 C ATOM 869 CG LEU A 58 -13.210 -0.587 -3.426 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.709 -0.556 -3.183 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.928 -1.241 -2.253 1.00 0.00 C ATOM 0 H LEU A 58 -14.691 -0.569 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.849 0.591 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.131 1.303 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.618 1.398 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.400 -1.180 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.346 -1.570 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.209 -0.129 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.495 0.053 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.534 -2.246 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.769 -0.648 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.995 -1.298 -2.466 1.00 0.00 H new ATOM 883 N LYS A 59 -16.146 3.067 -3.442 1.00 0.00 N ATOM 884 CA LYS A 59 -16.527 4.463 -3.620 1.00 0.00 C ATOM 885 C LYS A 59 -15.518 5.392 -2.953 1.00 0.00 C ATOM 886 O LYS A 59 -14.659 4.948 -2.191 1.00 0.00 O ATOM 887 CB LYS A 59 -17.923 4.709 -3.041 1.00 0.00 C ATOM 888 CG LYS A 59 -19.049 4.292 -3.972 1.00 0.00 C ATOM 889 CD LYS A 59 -20.345 4.066 -3.212 1.00 0.00 C ATOM 890 CE LYS A 59 -20.443 2.642 -2.687 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.638 1.657 -3.787 1.00 0.00 N ATOM 0 H LYS A 59 -16.368 2.683 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.540 4.677 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.019 4.165 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.029 5.768 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.200 5.061 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.769 3.378 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.407 4.767 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.192 4.273 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.536 2.395 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.273 2.570 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.031 0.776 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.295 2.049 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.724 1.457 -4.240 1.00 0.00 H new ATOM 905 N LYS A 60 -15.629 6.684 -3.243 1.00 0.00 N ATOM 906 CA LYS A 60 -14.729 7.677 -2.670 1.00 0.00 C ATOM 907 C LYS A 60 -15.452 8.536 -1.638 1.00 0.00 C ATOM 908 O LYS A 60 -15.302 9.758 -1.619 1.00 0.00 O ATOM 909 CB LYS A 60 -14.149 8.566 -3.773 1.00 0.00 C ATOM 910 CG LYS A 60 -12.784 9.143 -3.435 1.00 0.00 C ATOM 911 CD LYS A 60 -12.282 10.066 -4.532 1.00 0.00 C ATOM 912 CE LYS A 60 -12.776 11.490 -4.330 1.00 0.00 C ATOM 913 NZ LYS A 60 -12.830 12.246 -5.613 1.00 0.00 N ATOM 0 H LYS A 60 -16.334 7.068 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.916 7.149 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.071 7.986 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.841 9.384 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.843 9.692 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.072 8.332 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.192 10.056 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.617 9.697 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.768 11.470 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.118 12.007 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.171 13.212 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.879 12.288 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.477 11.767 -6.271 1.00 0.00 H new ATOM 927 N CYS A 61 -16.235 7.889 -0.781 1.00 0.00 N ATOM 928 CA CYS A 61 -16.980 8.594 0.255 1.00 0.00 C ATOM 929 C CYS A 61 -16.469 8.220 1.642 1.00 0.00 C ATOM 930 O CYS A 61 -15.970 9.067 2.381 1.00 0.00 O ATOM 931 CB CYS A 61 -18.472 8.277 0.145 1.00 0.00 C ATOM 932 SG CYS A 61 -19.542 9.450 1.007 1.00 0.00 S ATOM 0 H CYS A 61 -16.370 6.878 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.832 9.664 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.751 8.254 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.650 7.278 0.544 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.784 9.098 0.854 1.00 0.00 H new ATOM 938 N ASN A 62 -16.601 6.943 1.991 1.00 0.00 N ATOM 939 CA ASN A 62 -16.155 6.458 3.292 1.00 0.00 C ATOM 940 C ASN A 62 -14.706 5.982 3.227 1.00 0.00 C ATOM 941 O ASN A 62 -14.410 4.938 2.647 1.00 0.00 O ATOM 942 CB ASN A 62 -17.056 5.317 3.770 1.00 0.00 C ATOM 943 CG ASN A 62 -18.351 5.820 4.379 1.00 0.00 C ATOM 944 OD1 ASN A 62 -19.429 5.630 3.816 1.00 0.00 O ATOM 945 ND2 ASN A 62 -18.249 6.466 5.534 1.00 0.00 N ATOM 0 H ASN A 62 -17.012 6.227 1.392 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.217 7.284 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.283 4.661 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.520 4.718 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.086 6.828 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.334 6.600 5.964 1.00 0.00 H new ATOM 952 N ALA A 63 -13.807 6.756 3.828 1.00 0.00 N ATOM 953 CA ALA A 63 -12.391 6.414 3.841 1.00 0.00 C ATOM 954 C ALA A 63 -12.123 5.223 4.757 1.00 0.00 C ATOM 955 O ALA A 63 -11.574 4.208 4.326 1.00 0.00 O ATOM 956 CB ALA A 63 -11.562 7.612 4.275 1.00 0.00 C ATOM 0 H ALA A 63 -14.035 7.624 4.312 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.101 6.134 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.506 7.341 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.722 8.436 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.863 7.919 5.277 1.00 0.00 H new ATOM 962 N HIS A 64 -12.511 5.356 6.021 1.00 0.00 N ATOM 963 CA HIS A 64 -12.313 4.290 6.997 1.00 0.00 C ATOM 964 C HIS A 64 -12.582 2.924 6.374 1.00 0.00 C ATOM 965 O HIS A 64 -11.693 2.075 6.305 1.00 0.00 O ATOM 966 CB HIS A 64 -13.224 4.502 8.206 1.00 0.00 C ATOM 967 CG HIS A 64 -12.791 3.742 9.422 1.00 0.00 C ATOM 968 ND1 HIS A 64 -11.577 3.946 10.044 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.419 2.776 10.133 1.00 0.00 C ATOM 970 CE1 HIS A 64 -11.475 3.137 11.083 1.00 0.00 C ATOM 971 NE2 HIS A 64 -12.580 2.416 11.160 1.00 0.00 N ATOM 0 H HIS A 64 -12.964 6.191 6.394 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.274 4.320 7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.256 5.565 8.444 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.239 4.203 7.943 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -10.868 4.617 9.748 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.397 2.365 9.931 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.632 3.075 11.755 1.00 0.00 H new ATOM 980 N TYR A 65 -13.814 2.719 5.921 1.00 0.00 N ATOM 981 CA TYR A 65 -14.202 1.455 5.306 1.00 0.00 C ATOM 982 C TYR A 65 -13.163 1.005 4.284 1.00 0.00 C ATOM 983 O TYR A 65 -12.720 -0.143 4.296 1.00 0.00 O ATOM 984 CB TYR A 65 -15.570 1.588 4.636 1.00 0.00 C ATOM 985 CG TYR A 65 -15.939 0.403 3.773 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.586 -0.701 4.314 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.639 0.386 2.415 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.925 -1.787 3.529 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.976 -0.694 1.623 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.618 -1.778 2.184 1.00 0.00 C ATOM 991 OH TYR A 65 -16.953 -2.856 1.398 1.00 0.00 O ATOM 0 H TYR A 65 -14.561 3.412 5.968 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.262 0.701 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.331 1.717 5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.579 2.490 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.828 -0.711 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.134 1.232 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -17.427 -2.637 3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.738 -0.690 0.570 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.668 -2.689 0.475 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.778 1.919 3.400 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.791 1.619 2.370 1.00 0.00 C ATOM 1003 C ASN A 66 -10.462 1.204 2.994 1.00 0.00 C ATOM 1004 O ASN A 66 -9.807 0.272 2.525 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.584 2.834 1.461 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.722 3.019 0.477 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.180 2.062 -0.147 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -13.183 4.257 0.333 1.00 0.00 N ATOM 0 H ASN A 66 -13.135 2.874 3.376 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.167 0.788 1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.487 3.730 2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.649 2.720 0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.947 4.444 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.773 5.020 0.871 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.069 1.902 4.054 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.818 1.606 4.743 1.00 0.00 C ATOM 1017 C LEU A 67 -8.877 0.239 5.415 1.00 0.00 C ATOM 1018 O LEU A 67 -8.226 -0.708 4.974 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.520 2.686 5.786 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.041 4.032 5.239 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.186 5.119 6.294 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.598 3.932 4.769 1.00 0.00 C ATOM 0 H LEU A 67 -10.598 2.676 4.455 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.018 1.593 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.423 2.855 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.762 2.304 6.470 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.663 4.298 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.840 6.069 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.233 5.208 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.588 4.860 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.273 4.898 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.962 3.643 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.523 3.183 3.981 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.662 0.142 6.483 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.807 -1.111 7.214 1.00 0.00 C ATOM 1036 C GLN A 68 -9.933 -2.289 6.255 1.00 0.00 C ATOM 1037 O GLN A 68 -9.382 -3.363 6.498 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.029 -1.053 8.132 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.336 -1.372 7.425 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.497 -1.530 8.387 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.308 -1.573 9.603 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.707 -1.616 7.848 1.00 0.00 N ATOM 0 H GLN A 68 -10.207 0.916 6.861 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.913 -1.253 7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.889 -1.755 8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.096 -0.058 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.564 -0.577 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.219 -2.290 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.818 -1.576 6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.526 -1.722 8.447 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.662 -2.082 5.162 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.861 -3.128 4.166 1.00 0.00 C ATOM 1053 C ASN A 69 -9.523 -3.640 3.640 1.00 0.00 C ATOM 1054 O ASN A 69 -9.240 -4.836 3.696 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.710 -2.603 3.007 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.069 -3.690 2.013 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.924 -4.535 2.282 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.415 -3.675 0.857 1.00 0.00 N ATOM 0 H ASN A 69 -11.124 -1.199 4.944 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.384 -3.956 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.624 -2.160 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.167 -1.810 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.613 -4.383 0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.714 -2.956 0.677 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.705 -2.726 3.130 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.397 -3.083 2.597 1.00 0.00 C ATOM 1067 C ALA A 70 -6.567 -3.834 3.633 1.00 0.00 C ATOM 1068 O ALA A 70 -6.120 -4.954 3.391 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.658 -1.838 2.128 1.00 0.00 C ATOM 0 H ALA A 70 -8.926 -1.732 3.075 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.550 -3.744 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.683 -2.121 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.237 -1.344 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.525 -1.156 2.968 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.366 -3.208 4.788 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.589 -3.816 5.862 1.00 0.00 C ATOM 1077 C PHE A 71 -6.048 -5.248 6.122 1.00 0.00 C ATOM 1078 O PHE A 71 -5.237 -6.171 6.178 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.713 -2.988 7.142 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.210 -1.580 6.996 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.000 -1.324 6.370 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.948 -0.513 7.483 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.536 -0.029 6.236 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.488 0.784 7.351 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.281 1.026 6.726 1.00 0.00 C ATOM 0 H PHE A 71 -6.730 -2.280 5.004 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.544 -3.839 5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.759 -2.962 7.448 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.159 -3.482 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.414 -2.145 5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.894 -0.697 7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.591 0.158 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.072 1.607 7.736 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.920 2.038 6.620 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.356 -5.423 6.281 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.924 -6.742 6.537 1.00 0.00 C ATOM 1097 C ASN A 72 -7.556 -7.718 5.425 1.00 0.00 C ATOM 1098 O ASN A 72 -6.958 -8.766 5.676 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.446 -6.647 6.665 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.876 -5.849 7.881 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.288 -5.967 8.955 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.908 -5.029 7.715 1.00 0.00 N ATOM 0 H ASN A 72 -8.042 -4.669 6.237 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.509 -7.114 7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.855 -6.184 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.866 -7.651 6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.242 -4.465 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.366 -4.963 6.806 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.915 -7.368 4.195 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.622 -8.214 3.043 1.00 0.00 C ATOM 1111 C LEU A 73 -6.160 -8.651 3.047 1.00 0.00 C ATOM 1112 O LEU A 73 -5.855 -9.830 2.872 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.940 -7.469 1.745 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.377 -7.591 1.237 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.533 -6.876 -0.097 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.776 -9.053 1.111 1.00 0.00 C ATOM 0 H LEU A 73 -8.409 -6.505 3.970 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.248 -9.104 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.716 -6.412 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.269 -7.832 0.967 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.040 -7.116 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.562 -6.973 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.289 -5.821 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.860 -7.321 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.802 -9.120 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.109 -9.553 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.704 -9.535 2.086 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.262 -7.694 3.248 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.833 -7.980 3.280 1.00 0.00 C ATOM 1130 C ALA A 74 -3.455 -8.750 4.541 1.00 0.00 C ATOM 1131 O ALA A 74 -2.503 -9.529 4.540 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.033 -6.688 3.187 1.00 0.00 C ATOM 0 H ALA A 74 -5.499 -6.712 3.391 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.594 -8.605 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.968 -6.917 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.273 -6.178 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.285 -6.043 4.028 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.207 -8.525 5.613 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.948 -9.197 6.881 1.00 0.00 C ATOM 1140 C GLU A 75 -4.414 -10.649 6.833 1.00 0.00 C ATOM 1141 O GLU A 75 -4.022 -11.468 7.664 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.650 -8.463 8.026 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.092 -8.801 9.398 1.00 0.00 C ATOM 1144 CD GLU A 75 -4.568 -10.150 9.905 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -5.763 -10.463 9.722 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -3.747 -10.890 10.484 1.00 0.00 O ATOM 0 H GLU A 75 -5.000 -7.883 5.629 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.872 -9.184 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.566 -7.389 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.712 -8.706 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.003 -8.797 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.385 -8.026 10.107 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.256 -10.962 5.852 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.777 -12.315 5.692 1.00 0.00 C ATOM 1155 C LYS A 76 -5.139 -13.004 4.490 1.00 0.00 C ATOM 1156 O LYS A 76 -4.416 -13.988 4.640 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.298 -12.281 5.528 1.00 0.00 C ATOM 1158 CG LYS A 76 -7.962 -13.630 5.741 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.299 -13.713 5.024 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.410 -13.072 5.841 1.00 0.00 C ATOM 1161 NZ LYS A 76 -11.733 -13.191 5.168 1.00 0.00 N ATOM 0 H LYS A 76 -5.592 -10.296 5.156 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.528 -12.883 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.715 -11.564 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.539 -11.920 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.305 -14.421 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.109 -13.800 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.225 -13.217 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.545 -14.757 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.458 -13.544 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.179 -12.019 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.464 -12.742 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.695 -12.718 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.965 -14.196 5.034 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.413 -12.480 3.299 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.866 -13.046 2.072 1.00 0.00 C ATOM 1177 C GLU A 77 -3.341 -13.088 2.126 1.00 0.00 C ATOM 1178 O GLU A 77 -2.740 -14.162 2.182 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.321 -12.230 0.860 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.730 -12.563 0.398 1.00 0.00 C ATOM 1181 CD GLU A 77 -6.795 -13.852 -0.398 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -5.755 -14.252 -0.964 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -7.883 -14.460 -0.456 1.00 0.00 O ATOM 0 H GLU A 77 -6.010 -11.665 3.158 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.238 -14.066 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.269 -11.169 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.628 -12.400 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.383 -12.644 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.111 -11.744 -0.212 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.721 -11.913 2.108 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.267 -11.815 2.154 1.00 0.00 C ATOM 1192 C LEU A 78 -0.730 -12.303 3.495 1.00 0.00 C ATOM 1193 O LEU A 78 0.300 -12.974 3.557 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.825 -10.371 1.911 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.513 -9.645 0.754 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.231 -8.151 0.818 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.061 -10.219 -0.581 1.00 0.00 C ATOM 0 H LEU A 78 -3.203 -11.015 2.062 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.861 -12.451 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.996 -9.801 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.250 -10.367 1.729 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.589 -9.795 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.728 -7.651 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.606 -7.750 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.156 -7.980 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.561 -9.690 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.018 -10.101 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.316 -11.278 -0.627 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.437 -11.965 4.569 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.018 -12.379 5.895 1.00 0.00 C ATOM 1211 C GLY A 79 -0.020 -11.420 6.513 1.00 0.00 C ATOM 1212 O GLY A 79 0.973 -11.843 7.108 1.00 0.00 O ATOM 0 H GLY A 79 -2.293 -11.411 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.892 -12.455 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.575 -13.373 5.839 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.280 -10.126 6.371 1.00 0.00 N ATOM 1217 CA LEU A 80 0.604 -9.103 6.920 1.00 0.00 C ATOM 1218 C LEU A 80 0.077 -8.586 8.256 1.00 0.00 C ATOM 1219 O LEU A 80 -1.104 -8.262 8.386 1.00 0.00 O ATOM 1220 CB LEU A 80 0.749 -7.944 5.933 1.00 0.00 C ATOM 1221 CG LEU A 80 1.488 -8.257 4.632 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.212 -7.186 3.589 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.983 -8.384 4.886 1.00 0.00 C ATOM 0 H LEU A 80 -1.096 -9.759 5.880 1.00 0.00 H new ATOM 0 HA LEU A 80 1.582 -9.555 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.247 -7.580 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.269 -7.129 6.435 1.00 0.00 H new ATOM 0 HG LEU A 80 1.122 -9.210 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.747 -7.427 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.142 -7.143 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.549 -6.219 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.494 -8.607 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.364 -7.447 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.164 -9.189 5.598 1.00 0.00 H new ATOM 1235 N THR A 81 0.962 -8.511 9.245 1.00 0.00 N ATOM 1236 CA THR A 81 0.587 -8.032 10.569 1.00 0.00 C ATOM 1237 C THR A 81 0.212 -6.556 10.536 1.00 0.00 C ATOM 1238 O THR A 81 1.033 -5.703 10.196 1.00 0.00 O ATOM 1239 CB THR A 81 1.728 -8.238 11.585 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.140 -9.609 11.587 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.287 -7.833 12.983 1.00 0.00 C ATOM 0 H THR A 81 1.943 -8.776 9.154 1.00 0.00 H new ATOM 0 HA THR A 81 -0.279 -8.616 10.882 1.00 0.00 H new ATOM 0 HB THR A 81 2.567 -7.608 11.289 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.866 -9.731 12.234 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.109 -7.987 13.683 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.002 -6.781 12.984 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.434 -8.440 13.286 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.032 -6.257 10.890 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.517 -4.882 10.902 1.00 0.00 C ATOM 1251 C LYS A 82 -0.700 -4.026 11.865 1.00 0.00 C ATOM 1252 O LYS A 82 -0.755 -4.217 13.081 1.00 0.00 O ATOM 1253 CB LYS A 82 -2.995 -4.844 11.298 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.944 -4.996 10.121 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.337 -4.493 10.459 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.072 -5.461 11.373 1.00 0.00 C ATOM 1257 NZ LYS A 82 -5.789 -5.191 12.810 1.00 0.00 N ATOM 0 H LYS A 82 -1.725 -6.950 11.173 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.406 -4.475 9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.191 -5.640 12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.203 -3.900 11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.555 -4.444 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.996 -6.044 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.266 -3.518 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.907 -4.353 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.145 -5.386 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.779 -6.483 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.370 -6.037 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.124 -4.395 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.675 -4.952 13.299 1.00 0.00 H new ATOM 1271 N LEU A 83 0.055 -3.081 11.314 1.00 0.00 N ATOM 1272 CA LEU A 83 0.883 -2.195 12.125 1.00 0.00 C ATOM 1273 C LEU A 83 0.163 -0.878 12.398 1.00 0.00 C ATOM 1274 O LEU A 83 0.294 -0.298 13.477 1.00 0.00 O ATOM 1275 CB LEU A 83 2.215 -1.926 11.423 1.00 0.00 C ATOM 1276 CG LEU A 83 2.937 -3.151 10.861 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.097 -2.726 9.974 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.425 -4.047 11.989 1.00 0.00 C ATOM 0 H LEU A 83 0.111 -2.909 10.310 1.00 0.00 H new ATOM 0 HA LEU A 83 1.075 -2.687 13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.037 -1.227 10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.881 -1.429 12.128 1.00 0.00 H new ATOM 0 HG LEU A 83 2.231 -3.718 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.599 -3.611 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.721 -2.126 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.804 -2.136 10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.936 -4.914 11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.115 -3.490 12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.574 -4.380 12.583 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.598 -0.410 11.415 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.342 0.838 11.549 1.00 0.00 C ATOM 1292 C LEU A 84 -2.836 0.568 11.693 1.00 0.00 C ATOM 1293 O LEU A 84 -3.282 -0.575 11.608 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.088 1.738 10.338 1.00 0.00 C ATOM 1295 CG LEU A 84 0.354 2.206 10.140 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.498 2.946 8.819 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.793 3.088 11.299 1.00 0.00 C ATOM 0 H LEU A 84 -0.716 -0.876 10.516 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.995 1.345 12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.402 1.204 9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.726 2.618 10.424 1.00 0.00 H new ATOM 0 HG LEU A 84 1.000 1.329 10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.531 3.272 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.226 2.282 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.159 3.815 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.822 3.412 11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.143 3.961 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.729 2.524 12.230 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.604 1.631 11.911 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.049 1.510 12.063 1.00 0.00 C ATOM 1311 C ASP A 85 -5.778 2.433 11.091 1.00 0.00 C ATOM 1312 O ASP A 85 -5.279 3.492 10.710 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.461 1.836 13.500 1.00 0.00 C ATOM 1314 CG ASP A 85 -4.942 0.818 14.496 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.092 -0.394 14.237 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.387 1.233 15.535 1.00 0.00 O ATOM 0 H ASP A 85 -3.250 2.585 11.986 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.328 0.481 11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.087 2.824 13.767 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.548 1.879 13.562 1.00 0.00 H new ATOM 1321 N PRO A 86 -6.986 2.022 10.677 1.00 0.00 N ATOM 1322 CA PRO A 86 -7.808 2.797 9.743 1.00 0.00 C ATOM 1323 C PRO A 86 -8.349 4.077 10.371 1.00 0.00 C ATOM 1324 O PRO A 86 -9.068 4.839 9.726 1.00 0.00 O ATOM 1325 CB PRO A 86 -8.954 1.841 9.403 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.047 0.929 10.576 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.642 0.771 11.090 1.00 0.00 C ATOM 0 HA PRO A 86 -7.238 3.127 8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.887 2.382 9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.749 1.288 8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.699 1.346 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.468 -0.034 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.622 0.645 12.172 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.152 -0.102 10.658 1.00 0.00 H new ATOM 1335 N GLU A 87 -7.999 4.305 11.634 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.451 5.493 12.347 1.00 0.00 C ATOM 1337 C GLU A 87 -7.285 6.436 12.629 1.00 0.00 C ATOM 1338 O GLU A 87 -7.427 7.657 12.557 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.131 5.098 13.660 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.282 4.194 14.538 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.062 3.608 15.699 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -9.934 4.315 16.245 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -8.798 2.442 16.061 1.00 0.00 O ATOM 0 H GLU A 87 -7.405 3.683 12.183 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.171 6.013 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.380 6.002 14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.071 4.593 13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.875 3.384 13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.434 4.760 14.924 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.131 5.860 12.952 1.00 0.00 N ATOM 1351 CA ASP A 88 -4.939 6.647 13.244 1.00 0.00 C ATOM 1352 C ASP A 88 -4.414 7.327 11.985 1.00 0.00 C ATOM 1353 O ASP A 88 -4.098 8.517 11.994 1.00 0.00 O ATOM 1354 CB ASP A 88 -3.852 5.758 13.851 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.077 5.493 15.327 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -5.245 5.289 15.722 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.086 5.490 16.087 1.00 0.00 O ATOM 0 H ASP A 88 -5.997 4.851 13.018 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.211 7.419 13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.822 4.809 13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.880 6.233 13.714 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.322 6.563 10.900 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.835 7.091 9.632 1.00 0.00 C ATOM 1364 C VAL A 89 -4.813 8.102 9.046 1.00 0.00 C ATOM 1365 O VAL A 89 -4.430 9.216 8.689 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.601 5.964 8.607 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.183 6.542 7.264 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.560 4.982 9.122 1.00 0.00 C ATOM 0 H VAL A 89 -4.579 5.576 10.875 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.886 7.586 9.839 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.537 5.424 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.022 5.731 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.967 7.201 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.259 7.108 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.408 4.193 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.619 5.505 9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.906 4.543 10.058 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.078 7.706 8.948 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.112 8.578 8.405 1.00 0.00 C ATOM 1380 C ASN A 90 -7.189 9.885 9.189 1.00 0.00 C ATOM 1381 O ASN A 90 -7.979 10.017 10.123 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.470 7.873 8.435 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.573 8.718 7.829 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.321 9.797 7.291 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.806 8.232 7.914 1.00 0.00 N ATOM 0 H ASN A 90 -6.411 6.787 9.238 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.852 8.809 7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.399 6.930 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.727 7.629 9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.589 8.757 7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.970 7.334 8.368 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.360 10.851 8.800 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.335 12.148 9.464 1.00 0.00 C ATOM 1394 C VAL A 91 -5.805 13.232 8.532 1.00 0.00 C ATOM 1395 O VAL A 91 -5.232 12.937 7.483 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.467 12.111 10.736 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -4.001 11.921 10.377 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.663 13.379 11.552 1.00 0.00 C ATOM 0 H VAL A 91 -5.698 10.759 8.029 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.363 12.381 9.741 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.781 11.262 11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.403 11.897 11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.877 10.982 9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.670 12.747 9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.042 13.335 12.447 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.377 14.244 10.954 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.710 13.467 11.841 1.00 0.00 H new ATOM 1408 N ASP A 92 -6.002 14.486 8.921 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.542 15.616 8.121 1.00 0.00 C ATOM 1410 C ASP A 92 -4.073 15.453 7.744 1.00 0.00 C ATOM 1411 O ASP A 92 -3.716 15.503 6.567 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.743 16.926 8.886 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.200 17.340 8.951 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -8.055 16.466 9.204 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.484 18.539 8.750 1.00 0.00 O ATOM 0 H ASP A 92 -6.477 14.747 9.785 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.132 15.645 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.354 16.816 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.165 17.716 8.407 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.227 15.259 8.750 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.797 15.091 8.523 1.00 0.00 C ATOM 1422 C GLN A 93 -1.249 13.926 9.340 1.00 0.00 C ATOM 1423 O GLN A 93 -0.720 14.100 10.439 1.00 0.00 O ATOM 1424 CB GLN A 93 -1.047 16.376 8.879 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.363 17.541 7.955 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.691 18.828 8.389 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -1.281 19.641 9.102 1.00 0.00 O ATOM 1428 NE2 GLN A 93 0.551 19.023 7.960 1.00 0.00 N ATOM 0 H GLN A 93 -3.507 15.214 9.730 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.647 14.872 7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.292 16.658 9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.025 16.181 8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.045 17.293 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.442 17.692 7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.003 18.324 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.053 19.872 8.220 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.378 12.707 8.795 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.902 11.489 9.456 1.00 0.00 C ATOM 1439 C PRO A 94 0.620 11.412 9.507 1.00 0.00 C ATOM 1440 O PRO A 94 1.311 12.323 9.050 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.466 10.366 8.581 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.641 10.986 7.237 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.998 12.425 7.489 1.00 0.00 C ATOM 0 HA PRO A 94 -1.223 11.439 10.497 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.785 9.516 8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.413 9.996 8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.727 10.908 6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.426 10.482 6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.607 13.078 6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.078 12.572 7.517 1.00 0.00 H new ATOM 1451 N ASP A 95 1.136 10.323 10.063 1.00 0.00 N ATOM 1452 CA ASP A 95 2.577 10.127 10.172 1.00 0.00 C ATOM 1453 C ASP A 95 3.103 9.306 8.998 1.00 0.00 C ATOM 1454 O ASP A 95 2.906 8.092 8.941 1.00 0.00 O ATOM 1455 CB ASP A 95 2.922 9.436 11.491 1.00 0.00 C ATOM 1456 CG ASP A 95 4.318 9.775 11.974 1.00 0.00 C ATOM 1457 OD1 ASP A 95 4.587 10.970 12.217 1.00 0.00 O ATOM 1458 OD2 ASP A 95 5.142 8.846 12.110 1.00 0.00 O ATOM 0 H ASP A 95 0.577 9.560 10.446 1.00 0.00 H new ATOM 0 HA ASP A 95 3.055 11.106 10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.197 9.727 12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.836 8.357 11.366 1.00 0.00 H new ATOM 1463 N GLU A 96 3.773 9.976 8.065 1.00 0.00 N ATOM 1464 CA GLU A 96 4.325 9.307 6.895 1.00 0.00 C ATOM 1465 C GLU A 96 5.251 8.166 7.306 1.00 0.00 C ATOM 1466 O GLU A 96 5.152 7.053 6.787 1.00 0.00 O ATOM 1467 CB GLU A 96 5.086 10.306 6.020 1.00 0.00 C ATOM 1468 CG GLU A 96 6.094 11.143 6.790 1.00 0.00 C ATOM 1469 CD GLU A 96 6.324 12.504 6.161 1.00 0.00 C ATOM 1470 OE1 GLU A 96 6.639 12.555 4.954 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.187 13.518 6.878 1.00 0.00 O ATOM 0 H GLU A 96 3.946 10.981 8.098 1.00 0.00 H new ATOM 0 HA GLU A 96 3.496 8.891 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.605 9.763 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.371 10.970 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.745 11.275 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.041 10.606 6.843 1.00 0.00 H new ATOM 1478 N LYS A 97 6.151 8.450 8.241 1.00 0.00 N ATOM 1479 CA LYS A 97 7.096 7.449 8.723 1.00 0.00 C ATOM 1480 C LYS A 97 6.365 6.199 9.203 1.00 0.00 C ATOM 1481 O LYS A 97 6.746 5.078 8.866 1.00 0.00 O ATOM 1482 CB LYS A 97 7.943 8.025 9.859 1.00 0.00 C ATOM 1483 CG LYS A 97 8.862 9.153 9.422 1.00 0.00 C ATOM 1484 CD LYS A 97 10.001 8.641 8.556 1.00 0.00 C ATOM 1485 CE LYS A 97 10.577 9.746 7.682 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.330 10.750 8.483 1.00 0.00 N ATOM 0 H LYS A 97 6.246 9.366 8.680 1.00 0.00 H new ATOM 0 HA LYS A 97 7.749 7.172 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.282 8.390 10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.544 7.226 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.289 9.897 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.269 9.653 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.786 8.231 9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.643 7.827 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.238 9.310 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.769 10.242 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.707 11.486 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.694 11.185 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.117 10.281 8.976 1.00 0.00 H new ATOM 1500 N SER A 98 5.313 6.399 9.990 1.00 0.00 N ATOM 1501 CA SER A 98 4.532 5.287 10.518 1.00 0.00 C ATOM 1502 C SER A 98 3.747 4.598 9.406 1.00 0.00 C ATOM 1503 O SER A 98 3.167 3.531 9.610 1.00 0.00 O ATOM 1504 CB SER A 98 3.572 5.781 11.604 1.00 0.00 C ATOM 1505 OG SER A 98 3.315 4.765 12.558 1.00 0.00 O ATOM 0 H SER A 98 4.982 7.320 10.276 1.00 0.00 H new ATOM 0 HA SER A 98 5.222 4.565 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.998 6.652 12.102 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.635 6.101 11.148 1.00 0.00 H new ATOM 0 HG SER A 98 2.701 5.106 13.241 1.00 0.00 H new ATOM 1511 N ILE A 99 3.734 5.217 8.230 1.00 0.00 N ATOM 1512 CA ILE A 99 3.023 4.663 7.085 1.00 0.00 C ATOM 1513 C ILE A 99 3.978 3.944 6.138 1.00 0.00 C ATOM 1514 O ILE A 99 3.627 2.926 5.541 1.00 0.00 O ATOM 1515 CB ILE A 99 2.273 5.759 6.304 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.131 6.328 7.149 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.742 5.204 4.990 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.484 7.554 6.543 1.00 0.00 C ATOM 0 H ILE A 99 4.207 6.101 8.046 1.00 0.00 H new ATOM 0 HA ILE A 99 2.300 3.949 7.479 1.00 0.00 H new ATOM 0 HB ILE A 99 2.970 6.566 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.373 5.557 7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.513 6.580 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.215 5.990 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.574 4.843 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.057 4.381 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.317 7.903 7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.230 8.341 6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.072 7.303 5.566 1.00 0.00 H new ATOM 1530 N ILE A 100 5.187 4.480 6.008 1.00 0.00 N ATOM 1531 CA ILE A 100 6.195 3.887 5.138 1.00 0.00 C ATOM 1532 C ILE A 100 6.554 2.477 5.591 1.00 0.00 C ATOM 1533 O ILE A 100 6.802 1.592 4.772 1.00 0.00 O ATOM 1534 CB ILE A 100 7.475 4.742 5.095 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.177 6.118 4.497 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.558 4.035 4.295 1.00 0.00 C ATOM 1537 CD1 ILE A 100 8.108 7.204 4.987 1.00 0.00 C ATOM 0 H ILE A 100 5.492 5.323 6.494 1.00 0.00 H new ATOM 0 HA ILE A 100 5.762 3.845 4.139 1.00 0.00 H new ATOM 0 HB ILE A 100 7.835 4.880 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.245 6.056 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.150 6.395 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.456 4.652 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.787 3.076 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.208 3.869 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.838 8.152 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.024 7.294 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.135 6.950 4.723 1.00 0.00 H new ATOM 1549 N THR A 101 6.577 2.272 6.905 1.00 0.00 N ATOM 1550 CA THR A 101 6.905 0.968 7.469 1.00 0.00 C ATOM 1551 C THR A 101 5.893 -0.088 7.037 1.00 0.00 C ATOM 1552 O THR A 101 6.264 -1.198 6.657 1.00 0.00 O ATOM 1553 CB THR A 101 6.951 1.018 9.009 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.678 2.174 9.439 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.604 -0.235 9.571 1.00 0.00 C ATOM 0 H THR A 101 6.372 2.992 7.598 1.00 0.00 H new ATOM 0 HA THR A 101 7.891 0.699 7.091 1.00 0.00 H new ATOM 0 HB THR A 101 5.928 1.073 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.702 2.200 10.418 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.625 -0.177 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.033 -1.111 9.265 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.623 -0.316 9.192 1.00 0.00 H new ATOM 1563 N TYR A 102 4.614 0.266 7.098 1.00 0.00 N ATOM 1564 CA TYR A 102 3.549 -0.653 6.714 1.00 0.00 C ATOM 1565 C TYR A 102 3.588 -0.937 5.215 1.00 0.00 C ATOM 1566 O TYR A 102 3.781 -2.077 4.792 1.00 0.00 O ATOM 1567 CB TYR A 102 2.185 -0.077 7.101 1.00 0.00 C ATOM 1568 CG TYR A 102 1.053 -1.074 6.994 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.731 -1.660 5.776 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.309 -1.431 8.111 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.303 -2.570 5.674 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.726 -2.342 8.018 1.00 0.00 C ATOM 1573 CZ TYR A 102 -1.028 -2.909 6.798 1.00 0.00 C ATOM 1574 OH TYR A 102 -2.057 -3.817 6.701 1.00 0.00 O ATOM 0 H TYR A 102 4.290 1.182 7.409 1.00 0.00 H new ATOM 0 HA TYR A 102 3.704 -1.591 7.247 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.234 0.295 8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.966 0.778 6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.298 -1.400 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.543 -0.989 9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.543 -3.014 4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.295 -2.608 8.896 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.147 -4.301 7.548 1.00 0.00 H new ATOM 1584 N VAL A 103 3.401 0.109 4.417 1.00 0.00 N ATOM 1585 CA VAL A 103 3.416 -0.026 2.965 1.00 0.00 C ATOM 1586 C VAL A 103 4.623 -0.832 2.501 1.00 0.00 C ATOM 1587 O VAL A 103 4.559 -1.544 1.500 1.00 0.00 O ATOM 1588 CB VAL A 103 3.436 1.352 2.275 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.654 2.151 2.711 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.409 1.189 0.762 1.00 0.00 C ATOM 0 H VAL A 103 3.237 1.059 4.751 1.00 0.00 H new ATOM 0 HA VAL A 103 2.503 -0.552 2.685 1.00 0.00 H new ATOM 0 HB VAL A 103 2.545 1.903 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.650 3.121 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.626 2.297 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.560 1.609 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.424 2.171 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.282 0.620 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.503 0.659 0.469 1.00 0.00 H new ATOM 1600 N ALA A 104 5.725 -0.715 3.235 1.00 0.00 N ATOM 1601 CA ALA A 104 6.948 -1.434 2.900 1.00 0.00 C ATOM 1602 C ALA A 104 6.696 -2.936 2.825 1.00 0.00 C ATOM 1603 O ALA A 104 7.268 -3.632 1.984 1.00 0.00 O ATOM 1604 CB ALA A 104 8.036 -1.129 3.918 1.00 0.00 C ATOM 0 H ALA A 104 5.796 -0.128 4.066 1.00 0.00 H new ATOM 0 HA ALA A 104 7.282 -1.098 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.943 -1.673 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.242 -0.059 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.703 -1.437 4.909 1.00 0.00 H new ATOM 1610 N THR A 105 5.837 -3.433 3.710 1.00 0.00 N ATOM 1611 CA THR A 105 5.512 -4.853 3.746 1.00 0.00 C ATOM 1612 C THR A 105 4.984 -5.331 2.398 1.00 0.00 C ATOM 1613 O THR A 105 5.196 -6.479 2.008 1.00 0.00 O ATOM 1614 CB THR A 105 4.466 -5.163 4.834 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.200 -4.602 4.469 1.00 0.00 O ATOM 1616 CG2 THR A 105 4.904 -4.607 6.179 1.00 0.00 C ATOM 0 H THR A 105 5.354 -2.872 4.412 1.00 0.00 H new ATOM 0 HA THR A 105 6.436 -5.382 3.979 1.00 0.00 H new ATOM 0 HB THR A 105 4.372 -6.246 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.243 -3.625 4.538 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.150 -4.838 6.931 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.854 -5.057 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.023 -3.526 6.105 1.00 0.00 H new ATOM 1624 N TYR A 106 4.296 -4.442 1.690 1.00 0.00 N ATOM 1625 CA TYR A 106 3.735 -4.774 0.385 1.00 0.00 C ATOM 1626 C TYR A 106 4.841 -5.012 -0.638 1.00 0.00 C ATOM 1627 O TYR A 106 4.827 -6.005 -1.365 1.00 0.00 O ATOM 1628 CB TYR A 106 2.811 -3.653 -0.096 1.00 0.00 C ATOM 1629 CG TYR A 106 1.445 -3.674 0.551 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.280 -4.127 1.854 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.321 -3.242 -0.141 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.033 -4.149 2.449 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.929 -3.259 0.447 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.068 -3.714 1.742 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.311 -3.733 2.331 1.00 0.00 O ATOM 0 H TYR A 106 4.113 -3.487 1.997 1.00 0.00 H new ATOM 0 HA TYR A 106 3.157 -5.692 0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.284 -2.692 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.693 -3.730 -1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.140 -4.468 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.426 -2.887 -1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.079 -4.505 3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.793 -2.918 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.978 -3.393 1.698 1.00 0.00 H new ATOM 1645 N TYR A 107 5.800 -4.093 -0.689 1.00 0.00 N ATOM 1646 CA TYR A 107 6.912 -4.201 -1.623 1.00 0.00 C ATOM 1647 C TYR A 107 7.812 -5.380 -1.266 1.00 0.00 C ATOM 1648 O TYR A 107 8.128 -6.214 -2.115 1.00 0.00 O ATOM 1649 CB TYR A 107 7.729 -2.906 -1.629 1.00 0.00 C ATOM 1650 CG TYR A 107 9.095 -3.055 -2.256 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.235 -3.285 -3.619 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.249 -2.964 -1.486 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.483 -3.422 -4.197 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.500 -3.098 -2.055 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.612 -3.327 -3.410 1.00 0.00 C ATOM 1656 OH TYR A 107 12.856 -3.463 -3.982 1.00 0.00 O ATOM 0 H TYR A 107 5.828 -3.265 -0.094 1.00 0.00 H new ATOM 0 HA TYR A 107 6.501 -4.369 -2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.173 -2.138 -2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.846 -2.555 -0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.353 -3.358 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.166 -2.785 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.574 -3.602 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.386 -3.024 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 107 13.545 -3.369 -3.292 1.00 0.00 H new ATOM 1666 N HIS A 108 8.221 -5.443 -0.003 1.00 0.00 N ATOM 1667 CA HIS A 108 9.083 -6.521 0.469 1.00 0.00 C ATOM 1668 C HIS A 108 8.447 -7.881 0.203 1.00 0.00 C ATOM 1669 O HIS A 108 8.996 -8.701 -0.534 1.00 0.00 O ATOM 1670 CB HIS A 108 9.365 -6.359 1.963 1.00 0.00 C ATOM 1671 CG HIS A 108 10.485 -5.411 2.262 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.662 -5.802 2.865 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.603 -4.081 2.038 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.454 -4.754 3.000 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.836 -3.698 2.504 1.00 0.00 N ATOM 0 H HIS A 108 7.970 -4.760 0.712 1.00 0.00 H new ATOM 0 HA HIS A 108 10.024 -6.467 -0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.460 -6.007 2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.603 -7.334 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.865 -3.441 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.440 -4.760 3.441 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.214 -2.751 2.472 1.00 0.00 H new ATOM 1684 N TYR A 109 7.288 -8.115 0.809 1.00 0.00 N ATOM 1685 CA TYR A 109 6.578 -9.378 0.639 1.00 0.00 C ATOM 1686 C TYR A 109 6.542 -9.791 -0.829 1.00 0.00 C ATOM 1687 O TYR A 109 7.155 -10.783 -1.222 1.00 0.00 O ATOM 1688 CB TYR A 109 5.153 -9.263 1.184 1.00 0.00 C ATOM 1689 CG TYR A 109 4.248 -10.393 0.751 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.505 -10.304 -0.421 1.00 0.00 C ATOM 1691 CD2 TYR A 109 4.132 -11.549 1.512 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.675 -11.334 -0.821 1.00 0.00 C ATOM 1693 CE2 TYR A 109 3.305 -12.584 1.120 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.579 -12.471 -0.048 1.00 0.00 C ATOM 1695 OH TYR A 109 1.754 -13.500 -0.441 1.00 0.00 O ATOM 0 H TYR A 109 6.820 -7.447 1.422 1.00 0.00 H new ATOM 0 HA TYR A 109 7.114 -10.145 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.190 -9.235 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.722 -8.317 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.578 -9.415 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.699 -11.641 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.105 -11.248 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 109 3.227 -13.476 1.724 1.00 0.00 H new ATOM 0 HH TYR A 109 1.803 -14.227 0.214 1.00 0.00 H new ATOM 1705 N PHE A 110 5.820 -9.020 -1.635 1.00 0.00 N ATOM 1706 CA PHE A 110 5.701 -9.303 -3.061 1.00 0.00 C ATOM 1707 C PHE A 110 7.078 -9.494 -3.693 1.00 0.00 C ATOM 1708 O PHE A 110 7.281 -10.398 -4.504 1.00 0.00 O ATOM 1709 CB PHE A 110 4.955 -8.171 -3.768 1.00 0.00 C ATOM 1710 CG PHE A 110 3.465 -8.361 -3.797 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.900 -9.396 -4.525 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.630 -7.506 -3.096 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.530 -9.572 -4.553 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.260 -7.678 -3.120 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.709 -8.713 -3.849 1.00 0.00 C ATOM 0 H PHE A 110 5.308 -8.194 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 110 5.135 -10.227 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.183 -7.229 -3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.323 -8.088 -4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.537 -10.072 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.056 -6.695 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.101 -10.381 -5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.621 -7.004 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.362 -8.851 -3.869 1.00 0.00 H new ATOM 1725 N SER A 111 8.019 -8.634 -3.316 1.00 0.00 N ATOM 1726 CA SER A 111 9.375 -8.703 -3.849 1.00 0.00 C ATOM 1727 C SER A 111 9.966 -10.096 -3.652 1.00 0.00 C ATOM 1728 O SER A 111 10.557 -10.668 -4.567 1.00 0.00 O ATOM 1729 CB SER A 111 10.265 -7.658 -3.173 1.00 0.00 C ATOM 1730 OG SER A 111 10.223 -6.425 -3.869 1.00 0.00 O ATOM 0 H SER A 111 7.868 -7.882 -2.644 1.00 0.00 H new ATOM 0 HA SER A 111 9.330 -8.495 -4.918 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.939 -7.509 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.292 -8.022 -3.133 1.00 0.00 H new ATOM 0 HG SER A 111 9.567 -5.833 -3.446 1.00 0.00 H new ATOM 1736 N LYS A 112 9.801 -10.637 -2.449 1.00 0.00 N ATOM 1737 CA LYS A 112 10.316 -11.963 -2.128 1.00 0.00 C ATOM 1738 C LYS A 112 10.065 -12.935 -3.277 1.00 0.00 C ATOM 1739 O LYS A 112 11.001 -13.506 -3.833 1.00 0.00 O ATOM 1740 CB LYS A 112 9.665 -12.489 -0.848 1.00 0.00 C ATOM 1741 CG LYS A 112 9.997 -11.668 0.386 1.00 0.00 C ATOM 1742 CD LYS A 112 11.449 -11.843 0.797 1.00 0.00 C ATOM 1743 CE LYS A 112 11.927 -10.684 1.660 1.00 0.00 C ATOM 1744 NZ LYS A 112 11.167 -10.593 2.936 1.00 0.00 N ATOM 0 H LYS A 112 9.314 -10.177 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 112 11.392 -11.881 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.583 -12.507 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.983 -13.519 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.798 -10.615 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.347 -11.966 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.563 -12.778 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.074 -11.917 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.988 -10.806 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.821 -9.751 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.556 -9.823 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.166 -10.400 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.247 -11.492 3.453 1.00 0.00 H new