USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 958 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 101 ASN : amide:sc= 0 K(o=0.21,f=-0.41) USER MOD Set 1.2: A 108 SER OG : rot -19:sc= 0.206 USER MOD Set 2.1: A 80 THR OG1 : rot -73:sc= 2.03 USER MOD Set 2.2: A 83 SER OG : rot -170:sc= 1.07 USER MOD Set 3.1: A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 153:sc= -0.117 (180deg=-1.66) USER MOD Single : A 5 MET CE :methyl -107:sc= -1.84 (180deg=-5.16!) USER MOD Single : A 7 MET CE :methyl -164:sc= -3.1! (180deg=-4.24!) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot -140:sc= -0.0807 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0.968 (180deg=0.401) USER MOD Single : A 21 ASN : amide:sc= 0.00228 X(o=0.0023,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.114 K(o=-0.11,f=-4.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 24 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 25 ASN : amide:sc= 0.11 K(o=0.11,f=-3.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 68:sc= 0.213 USER MOD Single : A 41 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.8!) USER MOD Single : A 44 TYR OH : rot 4:sc= 0.0304 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 130:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.221 F(o=-1.8!,f=-0.22) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.612! X(o=-0.61!,f=-0.14) USER MOD Single : A 63 SER OG : rot -120:sc=-0.00175 USER MOD Single : A 68 SER OG : rot 180:sc= -0.241 USER MOD Single : A 69 SER OG : rot -9:sc= 0.0734 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 87 SER OG : rot 88:sc= 1.25 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 90 TYR OH : rot 120:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0.948 (180deg=0.796) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.64 F(o=-2.7!,f=-1.6) USER MOD Single : A 98 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-1.6) USER MOD Single : A 99 CYS SG : rot 79:sc= -0.53 USER MOD Single : A 104 SER OG : rot 160:sc= -0.396 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 CYS SG : rot -99:sc= -5.68! USER MOD Single : A 117 SER OG : rot 160:sc= -0.34 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 9.837 -15.084 5.675 1.00 1.02 N ATOM 21 CA MET A 3 10.232 -13.785 6.201 1.00 0.92 C ATOM 22 C MET A 3 9.469 -12.676 5.492 1.00 0.65 C ATOM 23 O MET A 3 9.782 -12.317 4.356 1.00 0.82 O ATOM 24 CB MET A 3 11.739 -13.563 6.040 1.00 1.21 C ATOM 25 CG MET A 3 12.229 -12.257 6.651 1.00 1.47 C ATOM 26 SD MET A 3 13.997 -11.990 6.414 1.00 1.88 S ATOM 27 CE MET A 3 14.083 -11.889 4.627 1.00 2.83 C ATOM 0 HA MET A 3 9.991 -13.764 7.264 1.00 0.92 H new ATOM 0 HB2 MET A 3 12.272 -14.394 6.502 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.989 -13.575 4.979 1.00 1.21 H new ATOM 0 HG2 MET A 3 11.679 -11.426 6.209 1.00 1.47 H new ATOM 0 HG3 MET A 3 12.006 -12.255 7.718 1.00 1.47 H new ATOM 0 HE1 MET A 3 14.939 -11.279 4.338 1.00 2.83 H new ATOM 0 HE2 MET A 3 14.194 -12.890 4.211 1.00 2.83 H new ATOM 0 HE3 MET A 3 13.169 -11.436 4.244 1.00 2.83 H new ATOM 37 N ALA A 4 8.453 -12.165 6.160 1.00 0.46 N ATOM 38 CA ALA A 4 7.672 -11.059 5.637 1.00 0.37 C ATOM 39 C ALA A 4 8.147 -9.748 6.254 1.00 0.34 C ATOM 40 O ALA A 4 7.955 -9.510 7.451 1.00 0.43 O ATOM 41 CB ALA A 4 6.191 -11.278 5.911 1.00 0.57 C ATOM 0 H ALA A 4 8.147 -12.501 7.073 1.00 0.46 H new ATOM 0 HA ALA A 4 7.813 -11.006 4.557 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.619 -10.440 5.513 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.865 -12.201 5.431 1.00 0.57 H new ATOM 0 HB3 ALA A 4 6.027 -11.351 6.986 1.00 0.57 H new ATOM 47 N MET A 5 8.781 -8.918 5.443 1.00 0.30 N ATOM 48 CA MET A 5 9.342 -7.656 5.906 1.00 0.33 C ATOM 49 C MET A 5 8.462 -6.488 5.488 1.00 0.34 C ATOM 50 O MET A 5 8.289 -6.244 4.295 1.00 0.34 O ATOM 51 CB MET A 5 10.744 -7.452 5.328 1.00 0.35 C ATOM 52 CG MET A 5 11.759 -8.488 5.776 1.00 0.63 C ATOM 53 SD MET A 5 13.415 -8.141 5.152 1.00 1.25 S ATOM 54 CE MET A 5 13.693 -6.511 5.846 1.00 0.90 C ATOM 0 H MET A 5 8.922 -9.097 4.449 1.00 0.30 H new ATOM 0 HA MET A 5 9.395 -7.695 6.994 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.682 -7.468 4.240 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.102 -6.463 5.613 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.784 -8.522 6.865 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.444 -9.474 5.434 1.00 0.63 H new ATOM 0 HE1 MET A 5 13.632 -5.764 5.055 1.00 0.90 H new ATOM 0 HE2 MET A 5 12.935 -6.303 6.601 1.00 0.90 H new ATOM 0 HE3 MET A 5 14.681 -6.475 6.305 1.00 0.90 H new ATOM 64 N PRO A 6 7.898 -5.752 6.459 1.00 0.41 N ATOM 65 CA PRO A 6 7.088 -4.561 6.184 1.00 0.46 C ATOM 66 C PRO A 6 7.798 -3.624 5.215 1.00 0.39 C ATOM 67 O PRO A 6 8.967 -3.297 5.396 1.00 0.38 O ATOM 68 CB PRO A 6 6.944 -3.912 7.560 1.00 0.58 C ATOM 69 CG PRO A 6 7.037 -5.047 8.516 1.00 0.61 C ATOM 70 CD PRO A 6 8.009 -6.019 7.907 1.00 0.49 C ATOM 0 HA PRO A 6 6.132 -4.796 5.716 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.730 -3.178 7.737 1.00 0.58 H new ATOM 0 HB3 PRO A 6 5.992 -3.389 7.655 1.00 0.58 H new ATOM 0 HG2 PRO A 6 7.383 -4.708 9.492 1.00 0.61 H new ATOM 0 HG3 PRO A 6 6.063 -5.512 8.667 1.00 0.61 H new ATOM 0 HD2 PRO A 6 9.023 -5.853 8.270 1.00 0.49 H new ATOM 0 HD3 PRO A 6 7.749 -7.050 8.147 1.00 0.49 H new ATOM 78 N MET A 7 7.070 -3.207 4.184 1.00 0.37 N ATOM 79 CA MET A 7 7.636 -2.452 3.065 1.00 0.32 C ATOM 80 C MET A 7 8.324 -1.177 3.522 1.00 0.29 C ATOM 81 O MET A 7 9.336 -0.768 2.952 1.00 0.28 O ATOM 82 CB MET A 7 6.537 -2.124 2.060 1.00 0.40 C ATOM 83 CG MET A 7 6.800 -2.699 0.685 1.00 0.37 C ATOM 84 SD MET A 7 8.241 -1.949 -0.096 1.00 1.39 S ATOM 85 CE MET A 7 8.089 -2.577 -1.763 1.00 0.77 C ATOM 0 H MET A 7 6.069 -3.382 4.098 1.00 0.37 H new ATOM 0 HA MET A 7 8.395 -3.077 2.594 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.587 -2.507 2.432 1.00 0.40 H new ATOM 0 HB3 MET A 7 6.436 -1.042 1.981 1.00 0.40 H new ATOM 0 HG2 MET A 7 6.950 -3.776 0.765 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.925 -2.545 0.054 1.00 0.37 H new ATOM 0 HE1 MET A 7 9.034 -2.445 -2.289 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.837 -3.637 -1.731 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.303 -2.033 -2.287 1.00 0.77 H new ATOM 95 N ILE A 8 7.780 -0.554 4.552 1.00 0.30 N ATOM 96 CA ILE A 8 8.372 0.654 5.100 1.00 0.27 C ATOM 97 C ILE A 8 9.694 0.327 5.789 1.00 0.30 C ATOM 98 O ILE A 8 10.677 1.048 5.638 1.00 0.34 O ATOM 99 CB ILE A 8 7.407 1.342 6.089 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.095 1.689 5.380 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.034 2.593 6.688 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.271 2.597 4.178 1.00 0.36 C ATOM 0 H ILE A 8 6.931 -0.863 5.025 1.00 0.30 H new ATOM 0 HA ILE A 8 8.563 1.344 4.278 1.00 0.27 H new ATOM 0 HB ILE A 8 7.200 0.650 6.905 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.611 0.766 5.059 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.424 2.170 6.092 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.331 3.056 7.381 1.00 0.38 H new ATOM 0 HG22 ILE A 8 8.945 2.323 7.222 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.275 3.296 5.891 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.299 2.798 3.729 1.00 0.36 H new ATOM 0 HD12 ILE A 8 6.726 3.536 4.495 1.00 0.36 H new ATOM 0 HD13 ILE A 8 6.915 2.111 3.446 1.00 0.36 H new ATOM 114 N GLU A 9 9.717 -0.795 6.500 1.00 0.32 N ATOM 115 CA GLU A 9 10.905 -1.231 7.226 1.00 0.39 C ATOM 116 C GLU A 9 11.973 -1.730 6.253 1.00 0.34 C ATOM 117 O GLU A 9 13.172 -1.600 6.508 1.00 0.37 O ATOM 118 CB GLU A 9 10.526 -2.328 8.224 1.00 0.53 C ATOM 119 CG GLU A 9 11.684 -2.836 9.068 1.00 0.66 C ATOM 120 CD GLU A 9 11.230 -3.781 10.164 1.00 0.87 C ATOM 121 OE1 GLU A 9 10.244 -4.516 9.958 1.00 1.20 O ATOM 122 OE2 GLU A 9 11.867 -3.797 11.239 1.00 1.67 O ATOM 0 H GLU A 9 8.919 -1.424 6.589 1.00 0.32 H new ATOM 0 HA GLU A 9 11.318 -0.384 7.774 1.00 0.39 H new ATOM 0 HB2 GLU A 9 9.749 -1.947 8.887 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.095 -3.167 7.677 1.00 0.53 H new ATOM 0 HG2 GLU A 9 12.401 -3.347 8.426 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.203 -1.988 9.515 1.00 0.66 H new ATOM 129 N TYR A 10 11.530 -2.306 5.138 1.00 0.33 N ATOM 130 CA TYR A 10 12.434 -2.735 4.076 1.00 0.33 C ATOM 131 C TYR A 10 13.233 -1.537 3.568 1.00 0.33 C ATOM 132 O TYR A 10 14.450 -1.615 3.375 1.00 0.40 O ATOM 133 CB TYR A 10 11.639 -3.372 2.929 1.00 0.37 C ATOM 134 CG TYR A 10 12.504 -3.984 1.850 1.00 0.45 C ATOM 135 CD1 TYR A 10 13.258 -5.127 2.091 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.568 -3.413 0.586 1.00 0.50 C ATOM 137 CE1 TYR A 10 14.047 -5.681 1.103 1.00 0.67 C ATOM 138 CE2 TYR A 10 13.353 -3.964 -0.407 1.00 0.60 C ATOM 139 CZ TYR A 10 14.101 -5.119 -0.123 1.00 0.68 C ATOM 140 OH TYR A 10 14.871 -5.652 -1.132 1.00 0.80 O ATOM 0 H TYR A 10 10.545 -2.487 4.947 1.00 0.33 H new ATOM 0 HA TYR A 10 13.124 -3.480 4.472 1.00 0.33 H new ATOM 0 HB2 TYR A 10 10.985 -4.143 3.337 1.00 0.37 H new ATOM 0 HB3 TYR A 10 10.997 -2.614 2.480 1.00 0.37 H new ATOM 0 HD1 TYR A 10 13.226 -5.589 3.067 1.00 0.56 H new ATOM 0 HD2 TYR A 10 11.994 -2.523 0.376 1.00 0.50 H new ATOM 0 HE1 TYR A 10 14.624 -6.569 1.312 1.00 0.67 H new ATOM 0 HE2 TYR A 10 13.392 -3.514 -1.388 1.00 0.60 H new ATOM 0 HH TYR A 10 14.938 -6.623 -1.015 1.00 0.80 H new ATOM 150 N LEU A 11 12.531 -0.426 3.384 1.00 0.33 N ATOM 151 CA LEU A 11 13.146 0.819 2.949 1.00 0.40 C ATOM 152 C LEU A 11 14.101 1.353 4.011 1.00 0.41 C ATOM 153 O LEU A 11 15.197 1.816 3.688 1.00 0.51 O ATOM 154 CB LEU A 11 12.067 1.855 2.635 1.00 0.47 C ATOM 155 CG LEU A 11 11.062 1.440 1.559 1.00 0.82 C ATOM 156 CD1 LEU A 11 9.993 2.504 1.395 1.00 1.30 C ATOM 157 CD2 LEU A 11 11.765 1.189 0.233 1.00 1.45 C ATOM 0 H LEU A 11 11.524 -0.364 3.532 1.00 0.33 H new ATOM 0 HA LEU A 11 13.721 0.622 2.044 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.522 2.079 3.552 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.553 2.778 2.320 1.00 0.47 H new ATOM 0 HG LEU A 11 10.586 0.512 1.876 1.00 0.82 H new ATOM 0 HD11 LEU A 11 9.286 2.194 0.626 1.00 1.30 H new ATOM 0 HD12 LEU A 11 9.466 2.639 2.340 1.00 1.30 H new ATOM 0 HD13 LEU A 11 10.458 3.445 1.102 1.00 1.30 H new ATOM 0 HD21 LEU A 11 11.031 0.895 -0.518 1.00 1.45 H new ATOM 0 HD22 LEU A 11 12.269 2.100 -0.090 1.00 1.45 H new ATOM 0 HD23 LEU A 11 12.498 0.392 0.355 1.00 1.45 H new ATOM 169 N GLU A 12 13.690 1.271 5.272 1.00 0.39 N ATOM 170 CA GLU A 12 14.512 1.749 6.380 1.00 0.50 C ATOM 171 C GLU A 12 15.854 1.022 6.423 1.00 0.53 C ATOM 172 O GLU A 12 16.916 1.647 6.450 1.00 0.61 O ATOM 173 CB GLU A 12 13.800 1.541 7.719 1.00 0.59 C ATOM 174 CG GLU A 12 12.433 2.195 7.813 1.00 0.65 C ATOM 175 CD GLU A 12 11.773 1.961 9.157 1.00 0.74 C ATOM 176 OE1 GLU A 12 11.810 0.815 9.650 1.00 0.90 O ATOM 177 OE2 GLU A 12 11.235 2.926 9.738 1.00 1.41 O ATOM 0 H GLU A 12 12.792 0.878 5.553 1.00 0.39 H new ATOM 0 HA GLU A 12 14.681 2.813 6.217 1.00 0.50 H new ATOM 0 HB2 GLU A 12 13.690 0.471 7.895 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.432 1.932 8.517 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.533 3.267 7.642 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.791 1.805 7.023 1.00 0.65 H new ATOM 184 N ARG A 13 15.795 -0.303 6.421 1.00 0.50 N ATOM 185 CA ARG A 13 16.980 -1.124 6.607 1.00 0.57 C ATOM 186 C ARG A 13 17.886 -1.111 5.375 1.00 0.60 C ATOM 187 O ARG A 13 19.090 -0.890 5.491 1.00 0.69 O ATOM 188 CB ARG A 13 16.586 -2.566 6.940 1.00 0.58 C ATOM 189 CG ARG A 13 15.762 -2.711 8.214 1.00 0.61 C ATOM 190 CD ARG A 13 15.478 -4.174 8.515 1.00 0.65 C ATOM 191 NE ARG A 13 14.627 -4.351 9.693 1.00 1.36 N ATOM 192 CZ ARG A 13 14.803 -5.304 10.610 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.872 -6.088 10.572 1.00 1.16 N ATOM 194 NH2 ARG A 13 13.917 -5.460 11.580 1.00 2.57 N ATOM 0 H ARG A 13 14.933 -0.833 6.292 1.00 0.50 H new ATOM 0 HA ARG A 13 17.538 -0.696 7.440 1.00 0.57 H new ATOM 0 HB2 ARG A 13 16.019 -2.978 6.105 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.492 -3.165 7.036 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.297 -2.261 9.050 1.00 0.61 H new ATOM 0 HG3 ARG A 13 14.822 -2.169 8.107 1.00 0.61 H new ATOM 0 HD2 ARG A 13 14.996 -4.632 7.651 1.00 0.65 H new ATOM 0 HD3 ARG A 13 16.421 -4.699 8.670 1.00 0.65 H new ATOM 0 HE ARG A 13 13.849 -3.704 9.821 1.00 1.36 H new ATOM 0 HH11 ARG A 13 16.569 -5.965 9.837 1.00 1.16 H new ATOM 0 HH12 ARG A 13 15.998 -6.814 11.278 1.00 1.16 H new ATOM 0 HH21 ARG A 13 13.100 -4.852 11.627 1.00 2.57 H new ATOM 0 HH22 ARG A 13 14.051 -6.189 12.281 1.00 2.57 H new ATOM 208 N PHE A 14 17.313 -1.332 4.198 1.00 0.58 N ATOM 209 CA PHE A 14 18.122 -1.554 3.002 1.00 0.68 C ATOM 210 C PHE A 14 18.122 -0.361 2.050 1.00 0.75 C ATOM 211 O PHE A 14 19.170 0.222 1.775 1.00 0.96 O ATOM 212 CB PHE A 14 17.629 -2.794 2.252 1.00 0.68 C ATOM 213 CG PHE A 14 17.753 -4.066 3.038 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.943 -4.775 3.045 1.00 0.88 C ATOM 215 CD2 PHE A 14 16.682 -4.556 3.765 1.00 0.69 C ATOM 216 CE1 PHE A 14 19.060 -5.950 3.762 1.00 0.98 C ATOM 217 CE2 PHE A 14 16.794 -5.729 4.485 1.00 0.79 C ATOM 218 CZ PHE A 14 17.983 -6.426 4.484 1.00 0.93 C ATOM 0 H PHE A 14 16.305 -1.363 4.045 1.00 0.58 H new ATOM 0 HA PHE A 14 19.146 -1.698 3.347 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.585 -2.649 1.976 1.00 0.68 H new ATOM 0 HB3 PHE A 14 18.193 -2.894 1.325 1.00 0.68 H new ATOM 0 HD1 PHE A 14 19.788 -4.405 2.484 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.748 -4.014 3.769 1.00 0.69 H new ATOM 0 HE1 PHE A 14 19.992 -6.496 3.758 1.00 0.98 H new ATOM 0 HE2 PHE A 14 15.951 -6.100 5.048 1.00 0.79 H new ATOM 0 HZ PHE A 14 18.072 -7.343 5.047 1.00 0.93 H new ATOM 228 N SER A 15 16.943 -0.008 1.554 1.00 0.69 N ATOM 229 CA SER A 15 16.822 0.925 0.439 1.00 0.83 C ATOM 230 C SER A 15 17.342 2.326 0.764 1.00 0.91 C ATOM 231 O SER A 15 18.141 2.883 0.012 1.00 1.07 O ATOM 232 CB SER A 15 15.365 0.993 -0.012 1.00 0.81 C ATOM 233 OG SER A 15 14.822 -0.310 -0.142 1.00 1.37 O ATOM 0 H SER A 15 16.052 -0.356 1.908 1.00 0.69 H new ATOM 0 HA SER A 15 17.450 0.545 -0.367 1.00 0.83 H new ATOM 0 HB2 SER A 15 14.782 1.566 0.709 1.00 0.81 H new ATOM 0 HB3 SER A 15 15.298 1.518 -0.965 1.00 0.81 H new ATOM 0 HG SER A 15 14.251 -0.348 -0.937 1.00 1.37 H new ATOM 239 N LEU A 16 16.904 2.893 1.876 1.00 0.84 N ATOM 240 CA LEU A 16 17.197 4.289 2.171 1.00 0.95 C ATOM 241 C LEU A 16 18.347 4.440 3.154 1.00 0.98 C ATOM 242 O LEU A 16 18.905 5.528 3.297 1.00 1.12 O ATOM 243 CB LEU A 16 15.953 4.970 2.728 1.00 0.94 C ATOM 244 CG LEU A 16 14.693 4.788 1.888 1.00 0.99 C ATOM 245 CD1 LEU A 16 13.512 5.427 2.583 1.00 0.95 C ATOM 246 CD2 LEU A 16 14.880 5.376 0.496 1.00 1.22 C ATOM 0 H LEU A 16 16.349 2.414 2.585 1.00 0.84 H new ATOM 0 HA LEU A 16 17.498 4.764 1.237 1.00 0.95 H new ATOM 0 HB2 LEU A 16 15.763 4.585 3.730 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.154 6.036 2.829 1.00 0.94 H new ATOM 0 HG LEU A 16 14.500 3.721 1.777 1.00 0.99 H new ATOM 0 HD11 LEU A 16 12.616 5.292 1.976 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.365 4.958 3.556 1.00 0.95 H new ATOM 0 HD13 LEU A 16 13.702 6.492 2.718 1.00 0.95 H new ATOM 0 HD21 LEU A 16 13.968 5.234 -0.084 1.00 1.22 H new ATOM 0 HD22 LEU A 16 15.097 6.441 0.577 1.00 1.22 H new ATOM 0 HD23 LEU A 16 15.709 4.874 -0.003 1.00 1.22 H new ATOM 258 N LYS A 17 18.674 3.347 3.847 1.00 0.88 N ATOM 259 CA LYS A 17 19.758 3.336 4.835 1.00 0.96 C ATOM 260 C LYS A 17 19.410 4.216 6.032 1.00 1.01 C ATOM 261 O LYS A 17 20.263 4.523 6.866 1.00 1.13 O ATOM 262 CB LYS A 17 21.079 3.800 4.210 1.00 1.12 C ATOM 263 CG LYS A 17 21.616 2.861 3.142 1.00 1.09 C ATOM 264 CD LYS A 17 22.025 1.525 3.736 1.00 1.00 C ATOM 265 CE LYS A 17 22.603 0.599 2.680 1.00 1.08 C ATOM 266 NZ LYS A 17 23.116 -0.662 3.273 1.00 1.20 N ATOM 0 H LYS A 17 18.200 2.450 3.741 1.00 0.88 H new ATOM 0 HA LYS A 17 19.880 2.309 5.179 1.00 0.96 H new ATOM 0 HB2 LYS A 17 20.936 4.788 3.773 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.826 3.905 4.997 1.00 1.12 H new ATOM 0 HG2 LYS A 17 20.855 2.704 2.377 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.473 3.320 2.649 1.00 1.09 H new ATOM 0 HD2 LYS A 17 22.762 1.686 4.523 1.00 1.00 H new ATOM 0 HD3 LYS A 17 21.160 1.053 4.201 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.836 0.367 1.941 1.00 1.08 H new ATOM 0 HE3 LYS A 17 23.410 1.108 2.153 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 23.502 -1.267 2.521 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 23.865 -0.443 3.960 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 22.340 -1.160 3.754 1.00 1.20 H new ATOM 280 N ALA A 18 18.146 4.592 6.113 1.00 0.97 N ATOM 281 CA ALA A 18 17.665 5.473 7.162 1.00 1.05 C ATOM 282 C ALA A 18 16.229 5.125 7.509 1.00 0.85 C ATOM 283 O ALA A 18 15.475 4.660 6.652 1.00 0.93 O ATOM 284 CB ALA A 18 17.766 6.924 6.716 1.00 1.21 C ATOM 0 H ALA A 18 17.425 4.296 5.455 1.00 0.97 H new ATOM 0 HA ALA A 18 18.284 5.340 8.050 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.402 7.575 7.511 1.00 1.21 H new ATOM 0 HB2 ALA A 18 18.806 7.166 6.496 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.162 7.072 5.821 1.00 1.21 H new ATOM 290 N LYS A 19 15.856 5.346 8.760 1.00 0.94 N ATOM 291 CA LYS A 19 14.513 5.034 9.219 1.00 0.87 C ATOM 292 C LYS A 19 13.511 6.035 8.656 1.00 0.66 C ATOM 293 O LYS A 19 13.740 7.248 8.690 1.00 0.72 O ATOM 294 CB LYS A 19 14.448 5.017 10.749 1.00 1.18 C ATOM 295 CG LYS A 19 13.054 4.726 11.273 1.00 1.36 C ATOM 296 CD LYS A 19 13.041 4.450 12.761 1.00 1.62 C ATOM 297 CE LYS A 19 11.658 4.011 13.214 1.00 1.96 C ATOM 298 NZ LYS A 19 11.198 2.800 12.479 1.00 2.32 N ATOM 0 H LYS A 19 16.466 5.741 9.476 1.00 0.94 H new ATOM 0 HA LYS A 19 14.254 4.039 8.856 1.00 0.87 H new ATOM 0 HB2 LYS A 19 15.139 4.265 11.130 1.00 1.18 H new ATOM 0 HB3 LYS A 19 14.782 5.981 11.133 1.00 1.18 H new ATOM 0 HG2 LYS A 19 12.404 5.574 11.058 1.00 1.36 H new ATOM 0 HG3 LYS A 19 12.642 3.867 10.744 1.00 1.36 H new ATOM 0 HD2 LYS A 19 13.770 3.675 12.999 1.00 1.62 H new ATOM 0 HD3 LYS A 19 13.340 5.346 13.305 1.00 1.62 H new ATOM 0 HE2 LYS A 19 11.674 3.803 14.284 1.00 1.96 H new ATOM 0 HE3 LYS A 19 10.948 4.824 13.057 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 10.364 2.401 12.955 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 10.948 3.060 11.504 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 11.960 2.092 12.464 1.00 2.32 H new ATOM 312 N ILE A 20 12.399 5.522 8.145 1.00 0.55 N ATOM 313 CA ILE A 20 11.403 6.364 7.511 1.00 0.46 C ATOM 314 C ILE A 20 10.560 7.100 8.539 1.00 0.53 C ATOM 315 O ILE A 20 9.979 6.501 9.443 1.00 0.66 O ATOM 316 CB ILE A 20 10.469 5.565 6.580 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.261 4.943 5.428 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.355 6.461 6.043 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.385 4.491 4.289 1.00 0.77 C ATOM 0 H ILE A 20 12.168 4.529 8.159 1.00 0.55 H new ATOM 0 HA ILE A 20 11.959 7.085 6.912 1.00 0.46 H new ATOM 0 HB ILE A 20 10.015 4.760 7.157 1.00 0.51 H new ATOM 0 HG12 ILE A 20 11.984 5.670 5.057 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.829 4.091 5.803 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.705 5.881 5.388 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.772 6.855 6.875 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.791 7.287 5.482 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.004 4.059 3.503 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.679 3.742 4.648 1.00 0.77 H new ATOM 0 HD13 ILE A 20 9.837 5.345 3.891 1.00 0.77 H new ATOM 331 N ASN A 21 10.503 8.406 8.378 1.00 0.51 N ATOM 332 CA ASN A 21 9.676 9.252 9.216 1.00 0.59 C ATOM 333 C ASN A 21 8.758 10.096 8.343 1.00 0.67 C ATOM 334 O ASN A 21 8.745 9.936 7.120 1.00 0.69 O ATOM 335 CB ASN A 21 10.544 10.149 10.104 1.00 0.63 C ATOM 336 CG ASN A 21 11.209 9.390 11.240 1.00 1.26 C ATOM 337 OD1 ASN A 21 10.662 9.294 12.337 1.00 2.19 O ATOM 338 ND2 ASN A 21 12.392 8.844 10.990 1.00 1.85 N ATOM 0 H ASN A 21 11.028 8.911 7.664 1.00 0.51 H new ATOM 0 HA ASN A 21 9.070 8.620 9.865 1.00 0.59 H new ATOM 0 HB2 ASN A 21 11.311 10.624 9.493 1.00 0.63 H new ATOM 0 HB3 ASN A 21 9.928 10.947 10.518 1.00 0.63 H new ATOM 0 HD21 ASN A 21 12.878 8.324 11.720 1.00 1.85 H new ATOM 0 HD22 ASN A 21 12.815 8.944 10.067 1.00 1.85 H new ATOM 345 N ASN A 22 8.016 11.007 8.956 1.00 0.78 N ATOM 346 CA ASN A 22 7.070 11.851 8.221 1.00 0.97 C ATOM 347 C ASN A 22 7.796 12.841 7.309 1.00 0.99 C ATOM 348 O ASN A 22 7.198 13.430 6.407 1.00 1.18 O ATOM 349 CB ASN A 22 6.158 12.615 9.194 1.00 1.13 C ATOM 350 CG ASN A 22 6.923 13.555 10.116 1.00 1.38 C ATOM 351 OD1 ASN A 22 8.071 13.295 10.478 1.00 1.80 O ATOM 352 ND2 ASN A 22 6.291 14.651 10.510 1.00 2.01 N ATOM 0 H ASN A 22 8.047 11.185 9.960 1.00 0.78 H new ATOM 0 HA ASN A 22 6.461 11.194 7.599 1.00 0.97 H new ATOM 0 HB2 ASN A 22 5.428 13.189 8.623 1.00 1.13 H new ATOM 0 HB3 ASN A 22 5.599 11.899 9.797 1.00 1.13 H new ATOM 0 HD21 ASN A 22 6.756 15.311 11.133 1.00 2.01 H new ATOM 0 HD22 ASN A 22 5.340 14.834 10.190 1.00 2.01 H new ATOM 359 N THR A 23 9.090 13.009 7.532 1.00 0.90 N ATOM 360 CA THR A 23 9.877 13.974 6.784 1.00 1.04 C ATOM 361 C THR A 23 10.593 13.339 5.589 1.00 0.91 C ATOM 362 O THR A 23 11.507 13.937 5.018 1.00 0.91 O ATOM 363 CB THR A 23 10.894 14.668 7.705 1.00 1.27 C ATOM 364 OG1 THR A 23 11.397 13.734 8.669 1.00 1.39 O ATOM 365 CG2 THR A 23 10.254 15.847 8.419 1.00 1.78 C ATOM 0 H THR A 23 9.619 12.486 8.230 1.00 0.90 H new ATOM 0 HA THR A 23 9.183 14.716 6.390 1.00 1.04 H new ATOM 0 HB THR A 23 11.718 15.036 7.093 1.00 1.27 H new ATOM 0 HG1 THR A 23 12.045 14.182 9.251 1.00 1.39 H new ATOM 0 HG21 THR A 23 10.990 16.324 9.066 1.00 1.78 H new ATOM 0 HG22 THR A 23 9.896 16.567 7.683 1.00 1.78 H new ATOM 0 HG23 THR A 23 9.416 15.496 9.021 1.00 1.78 H new ATOM 373 N THR A 24 10.180 12.135 5.208 1.00 0.92 N ATOM 374 CA THR A 24 10.727 11.491 4.023 1.00 0.90 C ATOM 375 C THR A 24 10.152 12.127 2.758 1.00 0.80 C ATOM 376 O THR A 24 8.952 12.394 2.680 1.00 1.03 O ATOM 377 CB THR A 24 10.444 9.978 4.025 1.00 1.18 C ATOM 378 OG1 THR A 24 9.100 9.720 4.452 1.00 1.68 O ATOM 379 CG2 THR A 24 11.426 9.250 4.928 1.00 1.42 C ATOM 0 H THR A 24 9.473 11.589 5.700 1.00 0.92 H new ATOM 0 HA THR A 24 11.807 11.634 4.037 1.00 0.90 H new ATOM 0 HB THR A 24 10.567 9.608 3.007 1.00 1.18 H new ATOM 0 HG1 THR A 24 9.071 9.672 5.430 1.00 1.68 H new ATOM 0 HG21 THR A 24 11.209 8.182 4.915 1.00 1.42 H new ATOM 0 HG22 THR A 24 12.442 9.418 4.571 1.00 1.42 H new ATOM 0 HG23 THR A 24 11.332 9.627 5.946 1.00 1.42 H new ATOM 387 N ASN A 25 11.004 12.376 1.774 1.00 0.71 N ATOM 388 CA ASN A 25 10.564 12.993 0.524 1.00 0.76 C ATOM 389 C ASN A 25 10.288 11.923 -0.522 1.00 0.77 C ATOM 390 O ASN A 25 10.375 12.166 -1.727 1.00 0.87 O ATOM 391 CB ASN A 25 11.603 13.994 0.002 1.00 0.90 C ATOM 392 CG ASN A 25 12.898 13.343 -0.453 1.00 1.23 C ATOM 393 OD1 ASN A 25 13.315 12.309 0.070 1.00 1.82 O ATOM 394 ND2 ASN A 25 13.544 13.953 -1.432 1.00 1.98 N ATOM 0 H ASN A 25 12.001 12.163 1.813 1.00 0.71 H new ATOM 0 HA ASN A 25 9.642 13.540 0.724 1.00 0.76 H new ATOM 0 HB2 ASN A 25 11.173 14.550 -0.831 1.00 0.90 H new ATOM 0 HB3 ASN A 25 11.825 14.717 0.787 1.00 0.90 H new ATOM 0 HD21 ASN A 25 14.422 13.569 -1.781 1.00 1.98 H new ATOM 0 HD22 ASN A 25 13.164 14.808 -1.838 1.00 1.98 H new ATOM 401 N LEU A 26 9.916 10.744 -0.041 1.00 0.79 N ATOM 402 CA LEU A 26 9.663 9.594 -0.899 1.00 0.82 C ATOM 403 C LEU A 26 8.403 9.789 -1.727 1.00 0.74 C ATOM 404 O LEU A 26 8.083 8.957 -2.577 1.00 0.74 O ATOM 405 CB LEU A 26 9.529 8.329 -0.053 1.00 1.09 C ATOM 406 CG LEU A 26 10.774 7.948 0.740 1.00 1.55 C ATOM 407 CD1 LEU A 26 10.473 6.775 1.650 1.00 2.31 C ATOM 408 CD2 LEU A 26 11.925 7.621 -0.200 1.00 2.48 C ATOM 0 H LEU A 26 9.781 10.558 0.953 1.00 0.79 H new ATOM 0 HA LEU A 26 10.508 9.492 -1.580 1.00 0.82 H new ATOM 0 HB2 LEU A 26 8.700 8.462 0.643 1.00 1.09 H new ATOM 0 HB3 LEU A 26 9.266 7.498 -0.708 1.00 1.09 H new ATOM 0 HG LEU A 26 11.071 8.796 1.356 1.00 1.55 H new ATOM 0 HD11 LEU A 26 11.369 6.511 2.212 1.00 2.31 H new ATOM 0 HD12 LEU A 26 9.677 7.047 2.343 1.00 2.31 H new ATOM 0 HD13 LEU A 26 10.156 5.922 1.051 1.00 2.31 H new ATOM 0 HD21 LEU A 26 12.806 7.351 0.383 1.00 2.48 H new ATOM 0 HD22 LEU A 26 11.645 6.786 -0.842 1.00 2.48 H new ATOM 0 HD23 LEU A 26 12.150 8.492 -0.816 1.00 2.48 H new ATOM 420 N ASP A 27 7.686 10.875 -1.452 1.00 0.78 N ATOM 421 CA ASP A 27 6.516 11.256 -2.233 1.00 0.89 C ATOM 422 C ASP A 27 6.860 11.250 -3.709 1.00 0.81 C ATOM 423 O ASP A 27 6.283 10.511 -4.497 1.00 0.99 O ATOM 424 CB ASP A 27 6.031 12.664 -1.858 1.00 1.04 C ATOM 425 CG ASP A 27 5.653 12.831 -0.398 1.00 1.41 C ATOM 426 OD1 ASP A 27 6.104 12.031 0.447 1.00 1.43 O ATOM 427 OD2 ASP A 27 4.928 13.799 -0.084 1.00 2.18 O ATOM 0 H ASP A 27 7.899 11.512 -0.685 1.00 0.78 H new ATOM 0 HA ASP A 27 5.727 10.536 -2.019 1.00 0.89 H new ATOM 0 HB2 ASP A 27 6.815 13.381 -2.102 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.167 12.913 -2.475 1.00 1.04 H new ATOM 432 N TYR A 28 7.841 12.059 -4.063 1.00 0.70 N ATOM 433 CA TYR A 28 8.243 12.206 -5.446 1.00 0.82 C ATOM 434 C TYR A 28 9.180 11.073 -5.849 1.00 0.69 C ATOM 435 O TYR A 28 9.392 10.828 -7.033 1.00 0.83 O ATOM 436 CB TYR A 28 8.916 13.567 -5.652 1.00 1.02 C ATOM 437 CG TYR A 28 8.079 14.724 -5.146 1.00 1.16 C ATOM 438 CD1 TYR A 28 7.017 15.221 -5.894 1.00 1.32 C ATOM 439 CD2 TYR A 28 8.339 15.307 -3.911 1.00 1.24 C ATOM 440 CE1 TYR A 28 6.242 16.267 -5.425 1.00 1.48 C ATOM 441 CE2 TYR A 28 7.568 16.350 -3.436 1.00 1.38 C ATOM 442 CZ TYR A 28 6.522 16.827 -4.195 1.00 1.47 C ATOM 443 OH TYR A 28 5.750 17.865 -3.722 1.00 1.64 O ATOM 0 H TYR A 28 8.376 12.627 -3.406 1.00 0.70 H new ATOM 0 HA TYR A 28 7.358 12.156 -6.080 1.00 0.82 H new ATOM 0 HB2 TYR A 28 9.879 13.571 -5.141 1.00 1.02 H new ATOM 0 HB3 TYR A 28 9.118 13.709 -6.714 1.00 1.02 H new ATOM 0 HD1 TYR A 28 6.794 14.784 -6.856 1.00 1.32 H new ATOM 0 HD2 TYR A 28 9.159 14.938 -3.312 1.00 1.24 H new ATOM 0 HE1 TYR A 28 5.422 16.643 -6.019 1.00 1.48 H new ATOM 0 HE2 TYR A 28 7.784 16.790 -2.474 1.00 1.38 H new ATOM 0 HH TYR A 28 6.079 18.143 -2.842 1.00 1.64 H new ATOM 453 N SER A 29 9.696 10.350 -4.857 1.00 0.52 N ATOM 454 CA SER A 29 10.677 9.299 -5.111 1.00 0.50 C ATOM 455 C SER A 29 9.986 8.006 -5.501 1.00 0.43 C ATOM 456 O SER A 29 10.571 7.157 -6.171 1.00 0.43 O ATOM 457 CB SER A 29 11.541 9.045 -3.877 1.00 0.53 C ATOM 458 OG SER A 29 12.057 10.255 -3.350 1.00 0.61 O ATOM 0 H SER A 29 9.452 10.472 -3.874 1.00 0.52 H new ATOM 0 HA SER A 29 11.312 9.637 -5.930 1.00 0.50 H new ATOM 0 HB2 SER A 29 10.950 8.537 -3.115 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.364 8.380 -4.138 1.00 0.53 H new ATOM 0 HG SER A 29 11.323 10.792 -2.986 1.00 0.61 H new ATOM 464 N ARG A 30 8.733 7.876 -5.084 1.00 0.42 N ATOM 465 CA ARG A 30 7.971 6.647 -5.276 1.00 0.40 C ATOM 466 C ARG A 30 7.944 6.236 -6.745 1.00 0.38 C ATOM 467 O ARG A 30 7.939 5.049 -7.068 1.00 0.39 O ATOM 468 CB ARG A 30 6.547 6.822 -4.746 1.00 0.43 C ATOM 469 CG ARG A 30 6.104 5.705 -3.823 1.00 0.49 C ATOM 470 CD ARG A 30 6.920 5.687 -2.544 1.00 0.73 C ATOM 471 NE ARG A 30 6.676 4.482 -1.754 1.00 1.07 N ATOM 472 CZ ARG A 30 7.384 4.150 -0.674 1.00 1.18 C ATOM 473 NH1 ARG A 30 8.353 4.950 -0.244 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.126 3.022 -0.026 1.00 1.86 N ATOM 0 H ARG A 30 8.218 8.615 -4.605 1.00 0.42 H new ATOM 0 HA ARG A 30 8.464 5.852 -4.716 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.480 7.771 -4.213 1.00 0.43 H new ATOM 0 HB3 ARG A 30 5.859 6.880 -5.589 1.00 0.43 H new ATOM 0 HG2 ARG A 30 5.048 5.828 -3.581 1.00 0.49 H new ATOM 0 HG3 ARG A 30 6.204 4.747 -4.334 1.00 0.49 H new ATOM 0 HD2 ARG A 30 7.980 5.751 -2.790 1.00 0.73 H new ATOM 0 HD3 ARG A 30 6.678 6.566 -1.947 1.00 0.73 H new ATOM 0 HE ARG A 30 5.922 3.860 -2.045 1.00 1.07 H new ATOM 0 HH11 ARG A 30 8.555 5.818 -0.740 1.00 1.25 H new ATOM 0 HH12 ARG A 30 8.895 4.696 0.582 1.00 1.25 H new ATOM 0 HH21 ARG A 30 6.383 2.404 -0.353 1.00 1.86 H new ATOM 0 HH22 ARG A 30 7.670 2.772 0.800 1.00 1.86 H new ATOM 488 N ARG A 31 7.964 7.224 -7.627 1.00 0.39 N ATOM 489 CA ARG A 31 7.912 6.978 -9.060 1.00 0.43 C ATOM 490 C ARG A 31 9.184 6.279 -9.557 1.00 0.42 C ATOM 491 O ARG A 31 9.143 5.520 -10.524 1.00 0.51 O ATOM 492 CB ARG A 31 7.702 8.301 -9.802 1.00 0.55 C ATOM 493 CG ARG A 31 7.544 8.159 -11.307 1.00 1.16 C ATOM 494 CD ARG A 31 7.280 9.505 -11.958 1.00 1.92 C ATOM 495 NE ARG A 31 7.083 9.399 -13.402 1.00 2.67 N ATOM 496 CZ ARG A 31 6.289 10.205 -14.101 1.00 3.57 C ATOM 497 NH1 ARG A 31 5.557 11.121 -13.480 1.00 3.96 N ATOM 498 NH2 ARG A 31 6.220 10.091 -15.420 1.00 4.35 N ATOM 0 H ARG A 31 8.016 8.210 -7.373 1.00 0.39 H new ATOM 0 HA ARG A 31 7.073 6.312 -9.263 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.815 8.792 -9.401 1.00 0.55 H new ATOM 0 HB3 ARG A 31 8.549 8.956 -9.598 1.00 0.55 H new ATOM 0 HG2 ARG A 31 8.446 7.717 -11.730 1.00 1.16 H new ATOM 0 HG3 ARG A 31 6.722 7.478 -11.527 1.00 1.16 H new ATOM 0 HD2 ARG A 31 6.397 9.956 -11.506 1.00 1.92 H new ATOM 0 HD3 ARG A 31 8.118 10.173 -11.757 1.00 1.92 H new ATOM 0 HE ARG A 31 7.583 8.665 -13.903 1.00 2.67 H new ATOM 0 HH11 ARG A 31 5.603 11.208 -12.465 1.00 3.96 H new ATOM 0 HH12 ARG A 31 4.949 11.738 -14.018 1.00 3.96 H new ATOM 0 HH21 ARG A 31 6.777 9.384 -15.901 1.00 4.35 H new ATOM 0 HH22 ARG A 31 5.610 10.710 -15.954 1.00 4.35 H new ATOM 512 N PHE A 32 10.310 6.526 -8.890 1.00 0.39 N ATOM 513 CA PHE A 32 11.574 5.890 -9.268 1.00 0.42 C ATOM 514 C PHE A 32 11.796 4.650 -8.416 1.00 0.40 C ATOM 515 O PHE A 32 12.727 3.877 -8.640 1.00 0.47 O ATOM 516 CB PHE A 32 12.764 6.840 -9.087 1.00 0.53 C ATOM 517 CG PHE A 32 12.426 8.298 -9.192 1.00 1.08 C ATOM 518 CD1 PHE A 32 12.072 8.842 -10.414 1.00 2.08 C ATOM 519 CD2 PHE A 32 12.458 9.123 -8.079 1.00 1.15 C ATOM 520 CE1 PHE A 32 11.756 10.178 -10.530 1.00 3.15 C ATOM 521 CE2 PHE A 32 12.143 10.464 -8.188 1.00 2.18 C ATOM 522 CZ PHE A 32 11.812 11.002 -9.354 1.00 3.19 C ATOM 0 H PHE A 32 10.375 7.157 -8.091 1.00 0.39 H new ATOM 0 HA PHE A 32 11.508 5.622 -10.322 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.214 6.655 -8.111 1.00 0.53 H new ATOM 0 HB3 PHE A 32 13.519 6.601 -9.836 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.043 8.210 -11.289 1.00 2.08 H new ATOM 0 HD2 PHE A 32 12.732 8.714 -7.118 1.00 1.15 H new ATOM 0 HE1 PHE A 32 11.472 10.597 -11.484 1.00 3.15 H new ATOM 0 HE2 PHE A 32 12.167 11.087 -7.306 1.00 2.18 H new ATOM 0 HZ PHE A 32 11.585 12.056 -9.420 1.00 3.19 H new ATOM 532 N LEU A 33 10.937 4.478 -7.430 1.00 0.34 N ATOM 533 CA LEU A 33 10.942 3.276 -6.619 1.00 0.34 C ATOM 534 C LEU A 33 10.116 2.202 -7.322 1.00 0.32 C ATOM 535 O LEU A 33 10.320 1.005 -7.121 1.00 0.37 O ATOM 536 CB LEU A 33 10.397 3.584 -5.217 1.00 0.34 C ATOM 537 CG LEU A 33 11.176 4.646 -4.438 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.550 4.871 -3.072 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.635 4.238 -4.298 1.00 0.47 C ATOM 0 H LEU A 33 10.223 5.159 -7.170 1.00 0.34 H new ATOM 0 HA LEU A 33 11.960 2.907 -6.498 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.361 3.910 -5.310 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.390 2.662 -4.636 1.00 0.34 H new ATOM 0 HG LEU A 33 11.132 5.583 -4.993 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.117 5.629 -2.532 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.520 5.207 -3.195 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.563 3.938 -2.508 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.175 5.004 -3.742 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.698 3.290 -3.764 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.079 4.128 -5.288 1.00 0.47 H new ATOM 551 N GLU A 34 9.198 2.664 -8.172 1.00 0.30 N ATOM 552 CA GLU A 34 8.409 1.798 -9.049 1.00 0.29 C ATOM 553 C GLU A 34 9.243 0.744 -9.777 1.00 0.32 C ATOM 554 O GLU A 34 8.900 -0.432 -9.730 1.00 0.32 O ATOM 555 CB GLU A 34 7.667 2.635 -10.085 1.00 0.31 C ATOM 556 CG GLU A 34 6.386 3.233 -9.572 1.00 0.35 C ATOM 557 CD GLU A 34 5.753 4.182 -10.561 1.00 0.52 C ATOM 558 OE1 GLU A 34 5.440 3.749 -11.682 1.00 0.82 O ATOM 559 OE2 GLU A 34 5.540 5.363 -10.210 1.00 0.67 O ATOM 0 H GLU A 34 8.980 3.655 -8.272 1.00 0.30 H new ATOM 0 HA GLU A 34 7.710 1.271 -8.399 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.321 3.437 -10.427 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.446 2.012 -10.952 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.683 2.433 -9.340 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.584 3.763 -8.640 1.00 0.35 H new ATOM 566 N PRO A 35 10.328 1.127 -10.488 1.00 0.35 N ATOM 567 CA PRO A 35 11.123 0.172 -11.258 1.00 0.37 C ATOM 568 C PRO A 35 11.641 -0.997 -10.418 1.00 0.36 C ATOM 569 O PRO A 35 11.871 -2.090 -10.938 1.00 0.38 O ATOM 570 CB PRO A 35 12.291 1.002 -11.791 1.00 0.45 C ATOM 571 CG PRO A 35 11.782 2.396 -11.811 1.00 0.51 C ATOM 572 CD PRO A 35 10.838 2.503 -10.649 1.00 0.38 C ATOM 0 HA PRO A 35 10.522 -0.293 -12.040 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.168 0.909 -11.150 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.588 0.674 -12.787 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.599 3.112 -11.719 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.273 2.613 -12.750 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.347 2.850 -9.750 1.00 0.38 H new ATOM 0 HD3 PRO A 35 10.032 3.208 -10.851 1.00 0.38 H new ATOM 580 N PHE A 36 11.830 -0.762 -9.123 1.00 0.35 N ATOM 581 CA PHE A 36 12.275 -1.811 -8.212 1.00 0.38 C ATOM 582 C PHE A 36 11.085 -2.629 -7.733 1.00 0.34 C ATOM 583 O PHE A 36 11.186 -3.835 -7.508 1.00 0.43 O ATOM 584 CB PHE A 36 13.023 -1.199 -7.020 1.00 0.46 C ATOM 585 CG PHE A 36 13.501 -2.208 -6.013 1.00 0.52 C ATOM 586 CD1 PHE A 36 14.214 -3.325 -6.419 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.230 -2.043 -4.664 1.00 0.64 C ATOM 588 CE1 PHE A 36 14.653 -4.254 -5.496 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.669 -2.968 -3.737 1.00 0.72 C ATOM 590 CZ PHE A 36 14.386 -4.070 -4.152 1.00 0.70 C ATOM 0 H PHE A 36 11.682 0.145 -8.681 1.00 0.35 H new ATOM 0 HA PHE A 36 12.959 -2.472 -8.744 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.880 -0.638 -7.392 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.367 -0.485 -6.521 1.00 0.46 H new ATOM 0 HD1 PHE A 36 14.428 -3.470 -7.467 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.669 -1.181 -4.334 1.00 0.64 H new ATOM 0 HE1 PHE A 36 15.204 -5.123 -5.824 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.451 -2.828 -2.689 1.00 0.72 H new ATOM 0 HZ PHE A 36 14.739 -4.789 -3.428 1.00 0.70 H new ATOM 600 N LEU A 37 9.951 -1.962 -7.613 1.00 0.27 N ATOM 601 CA LEU A 37 8.721 -2.583 -7.139 1.00 0.26 C ATOM 602 C LEU A 37 8.018 -3.328 -8.269 1.00 0.25 C ATOM 603 O LEU A 37 7.017 -4.008 -8.055 1.00 0.30 O ATOM 604 CB LEU A 37 7.795 -1.509 -6.562 1.00 0.30 C ATOM 605 CG LEU A 37 8.076 -1.065 -5.116 1.00 0.39 C ATOM 606 CD1 LEU A 37 9.563 -1.100 -4.786 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.547 0.340 -4.903 1.00 0.99 C ATOM 0 H LEU A 37 9.854 -0.973 -7.841 1.00 0.27 H new ATOM 0 HA LEU A 37 8.971 -3.304 -6.361 1.00 0.26 H new ATOM 0 HB2 LEU A 37 7.849 -0.631 -7.205 1.00 0.30 H new ATOM 0 HB3 LEU A 37 6.771 -1.879 -6.612 1.00 0.30 H new ATOM 0 HG LEU A 37 7.570 -1.766 -4.452 1.00 0.39 H new ATOM 0 HD11 LEU A 37 9.715 -0.779 -3.755 1.00 0.68 H new ATOM 0 HD12 LEU A 37 9.939 -2.116 -4.909 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.101 -0.430 -5.457 1.00 0.68 H new ATOM 0 HD21 LEU A 37 7.747 0.653 -3.878 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.041 1.023 -5.594 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.472 0.355 -5.084 1.00 0.99 H new ATOM 619 N ARG A 38 8.547 -3.188 -9.473 1.00 0.24 N ATOM 620 CA ARG A 38 7.985 -3.856 -10.634 1.00 0.27 C ATOM 621 C ARG A 38 8.174 -5.365 -10.525 1.00 0.25 C ATOM 622 O ARG A 38 9.298 -5.868 -10.613 1.00 0.36 O ATOM 623 CB ARG A 38 8.643 -3.351 -11.920 1.00 0.33 C ATOM 624 CG ARG A 38 8.044 -3.971 -13.169 1.00 1.01 C ATOM 625 CD ARG A 38 8.912 -3.740 -14.391 1.00 1.12 C ATOM 626 NE ARG A 38 8.481 -4.568 -15.517 1.00 1.86 N ATOM 627 CZ ARG A 38 9.318 -5.239 -16.307 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.628 -5.125 -16.135 1.00 2.26 N ATOM 629 NH2 ARG A 38 8.850 -6.013 -17.274 1.00 3.39 N ATOM 0 H ARG A 38 9.368 -2.616 -9.672 1.00 0.24 H new ATOM 0 HA ARG A 38 6.919 -3.630 -10.668 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.542 -2.267 -11.973 1.00 0.33 H new ATOM 0 HB3 ARG A 38 9.710 -3.570 -11.887 1.00 0.33 H new ATOM 0 HG2 ARG A 38 7.913 -5.042 -13.015 1.00 1.01 H new ATOM 0 HG3 ARG A 38 7.054 -3.550 -13.343 1.00 1.01 H new ATOM 0 HD2 ARG A 38 8.871 -2.688 -14.674 1.00 1.12 H new ATOM 0 HD3 ARG A 38 9.951 -3.965 -14.149 1.00 1.12 H new ATOM 0 HE ARG A 38 7.481 -4.636 -15.709 1.00 1.86 H new ATOM 0 HH11 ARG A 38 10.995 -4.523 -15.398 1.00 2.26 H new ATOM 0 HH12 ARG A 38 11.268 -5.639 -16.740 1.00 2.26 H new ATOM 0 HH21 ARG A 38 7.844 -6.098 -17.417 1.00 3.39 H new ATOM 0 HH22 ARG A 38 9.496 -6.524 -17.876 1.00 3.39 H new ATOM 643 N GLY A 39 7.078 -6.077 -10.316 1.00 0.19 N ATOM 644 CA GLY A 39 7.130 -7.521 -10.269 1.00 0.23 C ATOM 645 C GLY A 39 7.545 -8.041 -8.912 1.00 0.22 C ATOM 646 O GLY A 39 8.321 -8.992 -8.815 1.00 0.30 O ATOM 0 H GLY A 39 6.150 -5.678 -10.178 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.151 -7.925 -10.526 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.831 -7.881 -11.022 1.00 0.23 H new ATOM 650 N ILE A 40 7.030 -7.428 -7.858 1.00 0.18 N ATOM 651 CA ILE A 40 7.328 -7.890 -6.505 1.00 0.19 C ATOM 652 C ILE A 40 6.102 -8.547 -5.893 1.00 0.20 C ATOM 653 O ILE A 40 5.000 -8.427 -6.418 1.00 0.23 O ATOM 654 CB ILE A 40 7.802 -6.758 -5.560 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.744 -5.656 -5.468 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.144 -6.191 -6.008 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.059 -4.584 -4.449 1.00 0.20 C ATOM 0 H ILE A 40 6.411 -6.619 -7.908 1.00 0.18 H new ATOM 0 HA ILE A 40 8.146 -8.604 -6.605 1.00 0.19 H new ATOM 0 HB ILE A 40 7.940 -7.183 -4.566 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.633 -5.190 -6.447 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.784 -6.108 -5.219 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.450 -5.399 -5.325 1.00 0.23 H new ATOM 0 HG22 ILE A 40 9.893 -6.983 -6.004 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.050 -5.786 -7.015 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.262 -3.841 -4.445 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.140 -5.035 -3.460 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.002 -4.103 -4.707 1.00 0.20 H new ATOM 669 N ASN A 41 6.294 -9.252 -4.797 1.00 0.25 N ATOM 670 CA ASN A 41 5.181 -9.837 -4.078 1.00 0.25 C ATOM 671 C ASN A 41 5.140 -9.238 -2.682 1.00 0.25 C ATOM 672 O ASN A 41 6.149 -9.214 -1.972 1.00 0.38 O ATOM 673 CB ASN A 41 5.293 -11.372 -4.029 1.00 0.39 C ATOM 674 CG ASN A 41 6.249 -11.887 -2.965 1.00 1.43 C ATOM 675 OD1 ASN A 41 5.836 -12.201 -1.848 1.00 2.29 O ATOM 676 ND2 ASN A 41 7.528 -11.976 -3.297 1.00 2.16 N ATOM 0 H ASN A 41 7.209 -9.434 -4.385 1.00 0.25 H new ATOM 0 HA ASN A 41 4.250 -9.610 -4.597 1.00 0.25 H new ATOM 0 HB2 ASN A 41 4.304 -11.793 -3.849 1.00 0.39 H new ATOM 0 HB3 ASN A 41 5.621 -11.734 -5.004 1.00 0.39 H new ATOM 0 HD21 ASN A 41 8.209 -12.314 -2.617 1.00 2.16 H new ATOM 0 HD22 ASN A 41 7.832 -11.706 -4.233 1.00 2.16 H new ATOM 683 N VAL A 42 3.993 -8.699 -2.313 1.00 0.19 N ATOM 684 CA VAL A 42 3.844 -8.085 -1.008 1.00 0.20 C ATOM 685 C VAL A 42 2.603 -8.611 -0.323 1.00 0.18 C ATOM 686 O VAL A 42 1.541 -8.722 -0.934 1.00 0.19 O ATOM 687 CB VAL A 42 3.771 -6.539 -1.085 1.00 0.25 C ATOM 688 CG1 VAL A 42 5.085 -5.956 -1.580 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.620 -6.084 -1.970 1.00 0.27 C ATOM 0 H VAL A 42 3.156 -8.674 -2.895 1.00 0.19 H new ATOM 0 HA VAL A 42 4.731 -8.347 -0.432 1.00 0.20 H new ATOM 0 HB VAL A 42 3.589 -6.168 -0.076 1.00 0.25 H new ATOM 0 HG11 VAL A 42 5.007 -4.870 -1.625 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.887 -6.234 -0.896 1.00 0.31 H new ATOM 0 HG13 VAL A 42 5.304 -6.345 -2.574 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.595 -4.995 -2.004 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.759 -6.475 -2.978 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.679 -6.456 -1.563 1.00 0.27 H new ATOM 699 N VAL A 43 2.746 -8.955 0.936 1.00 0.18 N ATOM 700 CA VAL A 43 1.628 -9.421 1.706 1.00 0.18 C ATOM 701 C VAL A 43 0.851 -8.222 2.229 1.00 0.19 C ATOM 702 O VAL A 43 1.397 -7.345 2.903 1.00 0.29 O ATOM 703 CB VAL A 43 2.079 -10.363 2.850 1.00 0.23 C ATOM 704 CG1 VAL A 43 2.739 -9.615 3.989 1.00 0.79 C ATOM 705 CG2 VAL A 43 0.918 -11.203 3.347 1.00 0.70 C ATOM 0 H VAL A 43 3.629 -8.919 1.445 1.00 0.18 H new ATOM 0 HA VAL A 43 0.973 -10.012 1.067 1.00 0.18 H new ATOM 0 HB VAL A 43 2.834 -11.030 2.435 1.00 0.23 H new ATOM 0 HG11 VAL A 43 3.036 -10.321 4.764 1.00 0.79 H new ATOM 0 HG12 VAL A 43 3.620 -9.091 3.618 1.00 0.79 H new ATOM 0 HG13 VAL A 43 2.037 -8.893 4.406 1.00 0.79 H new ATOM 0 HG21 VAL A 43 1.259 -11.856 4.150 1.00 0.70 H new ATOM 0 HG22 VAL A 43 0.130 -10.549 3.721 1.00 0.70 H new ATOM 0 HG23 VAL A 43 0.529 -11.808 2.528 1.00 0.70 H new ATOM 715 N TYR A 44 -0.400 -8.141 1.834 1.00 0.15 N ATOM 716 CA TYR A 44 -1.259 -7.071 2.279 1.00 0.19 C ATOM 717 C TYR A 44 -1.892 -7.452 3.602 1.00 0.21 C ATOM 718 O TYR A 44 -2.838 -8.242 3.644 1.00 0.29 O ATOM 719 CB TYR A 44 -2.332 -6.762 1.231 1.00 0.24 C ATOM 720 CG TYR A 44 -3.316 -5.707 1.673 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.942 -4.375 1.736 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.618 -6.043 2.014 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.837 -3.401 2.132 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.522 -5.075 2.407 1.00 0.44 C ATOM 725 CZ TYR A 44 -5.129 -3.776 2.508 1.00 0.42 C ATOM 726 OH TYR A 44 -6.022 -2.787 2.853 1.00 0.50 O ATOM 0 H TYR A 44 -0.845 -8.807 1.203 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.663 -6.169 2.416 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.847 -6.434 0.312 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.874 -7.678 0.996 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.934 -4.093 1.471 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.929 -7.076 1.972 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.542 -2.362 2.151 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.542 -5.349 2.634 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.608 -1.910 2.714 1.00 0.50 H new ATOM 736 N THR A 45 -1.341 -6.920 4.675 1.00 0.23 N ATOM 737 CA THR A 45 -1.854 -7.184 6.002 1.00 0.29 C ATOM 738 C THR A 45 -2.780 -6.050 6.434 1.00 0.27 C ATOM 739 O THR A 45 -2.321 -4.960 6.780 1.00 0.30 O ATOM 740 CB THR A 45 -0.703 -7.336 7.018 1.00 0.39 C ATOM 741 OG1 THR A 45 0.267 -8.271 6.522 1.00 1.25 O ATOM 742 CG2 THR A 45 -1.224 -7.819 8.364 1.00 1.13 C ATOM 0 H THR A 45 -0.533 -6.298 4.652 1.00 0.23 H new ATOM 0 HA THR A 45 -2.413 -8.119 5.974 1.00 0.29 H new ATOM 0 HB THR A 45 -0.239 -6.359 7.152 1.00 0.39 H new ATOM 0 HG1 THR A 45 0.996 -8.362 7.171 1.00 1.25 H new ATOM 0 HG21 THR A 45 -0.393 -7.918 9.062 1.00 1.13 H new ATOM 0 HG22 THR A 45 -1.943 -7.099 8.756 1.00 1.13 H new ATOM 0 HG23 THR A 45 -1.710 -8.787 8.240 1.00 1.13 H new ATOM 750 N PRO A 46 -4.100 -6.288 6.408 1.00 0.30 N ATOM 751 CA PRO A 46 -5.092 -5.282 6.784 1.00 0.33 C ATOM 752 C PRO A 46 -4.978 -4.910 8.255 1.00 0.32 C ATOM 753 O PRO A 46 -4.798 -5.780 9.110 1.00 0.35 O ATOM 754 CB PRO A 46 -6.436 -5.970 6.511 1.00 0.40 C ATOM 755 CG PRO A 46 -6.113 -7.123 5.625 1.00 0.43 C ATOM 756 CD PRO A 46 -4.732 -7.554 6.013 1.00 0.38 C ATOM 0 HA PRO A 46 -4.964 -4.352 6.230 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -6.902 -6.304 7.438 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.137 -5.288 6.030 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.829 -7.934 5.760 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.153 -6.834 4.575 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.747 -8.273 6.832 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.207 -8.028 5.183 1.00 0.38 H new ATOM 764 N PRO A 47 -5.054 -3.608 8.563 1.00 0.33 N ATOM 765 CA PRO A 47 -4.984 -3.110 9.936 1.00 0.37 C ATOM 766 C PRO A 47 -6.037 -3.761 10.823 1.00 0.40 C ATOM 767 O PRO A 47 -7.105 -4.131 10.336 1.00 0.41 O ATOM 768 CB PRO A 47 -5.250 -1.608 9.796 1.00 0.37 C ATOM 769 CG PRO A 47 -4.890 -1.288 8.387 1.00 0.48 C ATOM 770 CD PRO A 47 -5.208 -2.519 7.588 1.00 0.35 C ATOM 0 HA PRO A 47 -4.026 -3.333 10.406 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.294 -1.370 10.001 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -4.648 -1.032 10.499 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.457 -0.431 8.025 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -3.834 -1.030 8.303 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.219 -2.484 7.181 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.529 -2.637 6.744 1.00 0.35 H new ATOM 778 N GLN A 48 -5.740 -3.897 12.109 1.00 0.52 N ATOM 779 CA GLN A 48 -6.567 -4.699 13.015 1.00 0.63 C ATOM 780 C GLN A 48 -8.052 -4.342 12.923 1.00 0.57 C ATOM 781 O GLN A 48 -8.907 -5.231 12.903 1.00 0.68 O ATOM 782 CB GLN A 48 -6.077 -4.540 14.456 1.00 0.83 C ATOM 783 CG GLN A 48 -6.102 -3.106 14.962 1.00 0.89 C ATOM 784 CD GLN A 48 -5.603 -2.988 16.384 1.00 1.22 C ATOM 785 OE1 GLN A 48 -4.416 -2.777 16.620 1.00 1.54 O ATOM 786 NE2 GLN A 48 -6.505 -3.131 17.338 1.00 1.92 N ATOM 0 H GLN A 48 -4.931 -3.463 12.554 1.00 0.52 H new ATOM 0 HA GLN A 48 -6.466 -5.739 12.705 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -6.695 -5.156 15.109 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.059 -4.922 14.527 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -5.488 -2.483 14.311 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -7.120 -2.721 14.904 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -7.480 -3.305 17.096 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -6.226 -3.067 18.317 1.00 1.92 H new ATOM 795 N SER A 49 -8.344 -3.052 12.807 1.00 0.49 N ATOM 796 CA SER A 49 -9.715 -2.555 12.781 1.00 0.51 C ATOM 797 C SER A 49 -10.483 -3.009 11.534 1.00 0.51 C ATOM 798 O SER A 49 -11.678 -2.747 11.406 1.00 0.59 O ATOM 799 CB SER A 49 -9.695 -1.033 12.858 1.00 0.56 C ATOM 800 OG SER A 49 -8.919 -0.599 13.964 1.00 1.58 O ATOM 0 H SER A 49 -7.637 -2.321 12.728 1.00 0.49 H new ATOM 0 HA SER A 49 -10.237 -2.973 13.642 1.00 0.51 H new ATOM 0 HB2 SER A 49 -9.285 -0.622 11.935 1.00 0.56 H new ATOM 0 HB3 SER A 49 -10.713 -0.655 12.950 1.00 0.56 H new ATOM 0 HG SER A 49 -8.276 0.078 13.667 1.00 1.58 H new ATOM 806 N PHE A 50 -9.797 -3.661 10.605 1.00 0.47 N ATOM 807 CA PHE A 50 -10.444 -4.180 9.407 1.00 0.51 C ATOM 808 C PHE A 50 -10.953 -5.599 9.630 1.00 0.58 C ATOM 809 O PHE A 50 -11.959 -6.004 9.051 1.00 0.67 O ATOM 810 CB PHE A 50 -9.482 -4.168 8.216 1.00 0.49 C ATOM 811 CG PHE A 50 -9.211 -2.802 7.653 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.651 -1.807 8.434 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.507 -2.520 6.328 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.389 -0.557 7.911 1.00 0.57 C ATOM 815 CE2 PHE A 50 -9.251 -1.270 5.798 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.690 -0.288 6.590 1.00 0.65 C ATOM 0 H PHE A 50 -8.795 -3.843 10.657 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.291 -3.530 9.188 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.537 -4.615 8.523 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -9.892 -4.799 7.427 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.415 -2.011 9.468 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -9.942 -3.286 5.703 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -7.950 0.209 8.533 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.489 -1.061 4.766 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.487 0.689 6.177 1.00 0.65 H new ATOM 826 N GLN A 51 -10.246 -6.338 10.490 1.00 0.58 N ATOM 827 CA GLN A 51 -10.540 -7.750 10.758 1.00 0.67 C ATOM 828 C GLN A 51 -10.535 -8.574 9.469 1.00 0.65 C ATOM 829 O GLN A 51 -11.209 -9.600 9.375 1.00 0.88 O ATOM 830 CB GLN A 51 -11.885 -7.926 11.483 1.00 0.82 C ATOM 831 CG GLN A 51 -11.903 -7.409 12.917 1.00 0.94 C ATOM 832 CD GLN A 51 -12.167 -5.917 13.016 1.00 1.28 C ATOM 833 OE1 GLN A 51 -12.953 -5.387 12.091 1.00 1.77 O flip ATOM 834 NE2 GLN A 51 -11.684 -5.247 13.929 1.00 1.99 N flip ATOM 0 H GLN A 51 -9.454 -5.975 11.020 1.00 0.58 H new ATOM 0 HA GLN A 51 -9.748 -8.115 11.412 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -12.660 -7.411 10.915 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -12.144 -8.985 11.489 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -12.669 -7.944 13.479 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -10.946 -7.633 13.388 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -11.083 -5.690 14.624 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -11.885 -4.249 13.991 1.00 1.99 H new ATOM 843 N SER A 52 -9.763 -8.126 8.486 1.00 0.51 N ATOM 844 CA SER A 52 -9.717 -8.784 7.191 1.00 0.51 C ATOM 845 C SER A 52 -8.520 -9.732 7.128 1.00 0.43 C ATOM 846 O SER A 52 -7.601 -9.644 7.947 1.00 0.44 O ATOM 847 CB SER A 52 -9.641 -7.736 6.071 1.00 0.53 C ATOM 848 OG SER A 52 -9.801 -8.336 4.796 1.00 1.35 O ATOM 0 H SER A 52 -9.160 -7.307 8.564 1.00 0.51 H new ATOM 0 HA SER A 52 -10.627 -9.369 7.054 1.00 0.51 H new ATOM 0 HB2 SER A 52 -10.414 -6.983 6.221 1.00 0.53 H new ATOM 0 HB3 SER A 52 -8.681 -7.221 6.116 1.00 0.53 H new ATOM 0 HG SER A 52 -9.750 -7.647 4.101 1.00 1.35 H new ATOM 854 N ALA A 53 -8.539 -10.631 6.153 1.00 0.46 N ATOM 855 CA ALA A 53 -7.513 -11.655 6.020 1.00 0.43 C ATOM 856 C ALA A 53 -6.405 -11.193 5.078 1.00 0.36 C ATOM 857 O ALA A 53 -6.672 -10.777 3.950 1.00 0.38 O ATOM 858 CB ALA A 53 -8.130 -12.953 5.517 1.00 0.50 C ATOM 0 H ALA A 53 -9.263 -10.671 5.435 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.073 -11.831 7.002 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.353 -13.712 5.421 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -8.886 -13.295 6.224 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.593 -12.783 4.545 1.00 0.50 H new ATOM 864 N PRO A 54 -5.148 -11.252 5.542 1.00 0.33 N ATOM 865 CA PRO A 54 -3.983 -10.837 4.754 1.00 0.30 C ATOM 866 C PRO A 54 -3.764 -11.715 3.524 1.00 0.28 C ATOM 867 O PRO A 54 -3.836 -12.944 3.601 1.00 0.29 O ATOM 868 CB PRO A 54 -2.805 -10.989 5.729 1.00 0.35 C ATOM 869 CG PRO A 54 -3.425 -11.080 7.082 1.00 0.56 C ATOM 870 CD PRO A 54 -4.762 -11.724 6.877 1.00 0.39 C ATOM 0 HA PRO A 54 -4.105 -9.825 4.367 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.220 -11.881 5.503 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.127 -10.138 5.663 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -2.806 -11.671 7.757 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.532 -10.092 7.530 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -4.698 -12.811 6.919 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.480 -11.417 7.638 1.00 0.39 H new ATOM 878 N ARG A 55 -3.495 -11.075 2.393 1.00 0.27 N ATOM 879 CA ARG A 55 -3.217 -11.787 1.154 1.00 0.30 C ATOM 880 C ARG A 55 -2.057 -11.129 0.422 1.00 0.24 C ATOM 881 O ARG A 55 -1.947 -9.906 0.398 1.00 0.20 O ATOM 882 CB ARG A 55 -4.446 -11.801 0.239 1.00 0.41 C ATOM 883 CG ARG A 55 -4.176 -12.495 -1.086 1.00 0.52 C ATOM 884 CD ARG A 55 -5.296 -12.297 -2.092 1.00 0.82 C ATOM 885 NE ARG A 55 -4.932 -12.844 -3.398 1.00 1.64 N ATOM 886 CZ ARG A 55 -5.570 -12.575 -4.536 1.00 2.46 C ATOM 887 NH1 ARG A 55 -6.604 -11.742 -4.549 1.00 2.66 N ATOM 888 NH2 ARG A 55 -5.163 -13.132 -5.670 1.00 3.34 N ATOM 0 H ARG A 55 -3.464 -10.059 2.309 1.00 0.27 H new ATOM 0 HA ARG A 55 -2.957 -12.814 1.410 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.268 -12.304 0.748 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -4.766 -10.776 0.050 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -3.245 -12.116 -1.507 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -4.036 -13.562 -0.910 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.203 -12.782 -1.731 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -5.519 -11.234 -2.188 1.00 0.82 H new ATOM 0 HE ARG A 55 -4.133 -13.476 -3.441 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -6.916 -11.302 -3.683 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -7.087 -11.542 -5.425 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -4.363 -13.765 -5.669 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -5.650 -12.927 -6.542 1.00 3.34 H new ATOM 902 N VAL A 56 -1.200 -11.938 -0.177 1.00 0.27 N ATOM 903 CA VAL A 56 -0.082 -11.423 -0.951 1.00 0.25 C ATOM 904 C VAL A 56 -0.538 -11.060 -2.359 1.00 0.25 C ATOM 905 O VAL A 56 -1.266 -11.820 -3.000 1.00 0.31 O ATOM 906 CB VAL A 56 1.071 -12.450 -1.040 1.00 0.32 C ATOM 907 CG1 VAL A 56 2.252 -11.882 -1.812 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.504 -12.900 0.346 1.00 1.18 C ATOM 0 H VAL A 56 -1.257 -12.956 -0.142 1.00 0.27 H new ATOM 0 HA VAL A 56 0.286 -10.534 -0.439 1.00 0.25 H new ATOM 0 HB VAL A 56 0.700 -13.320 -1.582 1.00 0.32 H new ATOM 0 HG11 VAL A 56 3.048 -12.626 -1.859 1.00 1.22 H new ATOM 0 HG12 VAL A 56 1.936 -11.625 -2.823 1.00 1.22 H new ATOM 0 HG13 VAL A 56 2.620 -10.988 -1.308 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.316 -13.622 0.257 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.846 -12.038 0.918 1.00 1.18 H new ATOM 0 HG23 VAL A 56 0.661 -13.364 0.858 1.00 1.18 H new ATOM 918 N TYR A 57 -0.114 -9.896 -2.828 1.00 0.20 N ATOM 919 CA TYR A 57 -0.468 -9.431 -4.156 1.00 0.20 C ATOM 920 C TYR A 57 0.782 -9.223 -4.995 1.00 0.19 C ATOM 921 O TYR A 57 1.821 -8.789 -4.486 1.00 0.21 O ATOM 922 CB TYR A 57 -1.275 -8.132 -4.083 1.00 0.20 C ATOM 923 CG TYR A 57 -2.724 -8.337 -3.697 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.683 -8.607 -4.665 1.00 0.36 C ATOM 925 CD2 TYR A 57 -3.133 -8.263 -2.372 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.009 -8.796 -4.324 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.457 -8.453 -2.023 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.390 -8.718 -3.002 1.00 0.46 C ATOM 929 OH TYR A 57 -6.709 -8.916 -2.661 1.00 0.57 O ATOM 0 H TYR A 57 0.480 -9.254 -2.303 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.087 -10.194 -4.628 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.807 -7.464 -3.360 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.233 -7.634 -5.052 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.387 -8.670 -5.702 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.405 -8.054 -1.602 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.742 -9.004 -5.089 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.759 -8.394 -0.988 1.00 0.45 H new ATOM 0 HH TYR A 57 -6.813 -8.828 -1.690 1.00 0.57 H new ATOM 939 N ARG A 58 0.680 -9.548 -6.275 1.00 0.23 N ATOM 940 CA ARG A 58 1.785 -9.369 -7.199 1.00 0.27 C ATOM 941 C ARG A 58 1.789 -7.940 -7.725 1.00 0.25 C ATOM 942 O ARG A 58 0.958 -7.565 -8.553 1.00 0.37 O ATOM 943 CB ARG A 58 1.681 -10.368 -8.356 1.00 0.40 C ATOM 944 CG ARG A 58 2.858 -10.323 -9.321 1.00 0.57 C ATOM 945 CD ARG A 58 4.170 -10.643 -8.621 1.00 1.11 C ATOM 946 NE ARG A 58 4.149 -11.959 -7.984 1.00 1.96 N ATOM 947 CZ ARG A 58 5.234 -12.603 -7.560 1.00 2.71 C ATOM 948 NH1 ARG A 58 6.441 -12.066 -7.713 1.00 2.90 N ATOM 949 NH2 ARG A 58 5.110 -13.788 -6.979 1.00 3.71 N ATOM 0 H ARG A 58 -0.162 -9.939 -6.697 1.00 0.23 H new ATOM 0 HA ARG A 58 2.722 -9.554 -6.673 1.00 0.27 H new ATOM 0 HB2 ARG A 58 1.598 -11.375 -7.947 1.00 0.40 H new ATOM 0 HB3 ARG A 58 0.763 -10.173 -8.910 1.00 0.40 H new ATOM 0 HG2 ARG A 58 2.693 -11.035 -10.130 1.00 0.57 H new ATOM 0 HG3 ARG A 58 2.919 -9.334 -9.775 1.00 0.57 H new ATOM 0 HD2 ARG A 58 4.985 -10.604 -9.344 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.374 -9.881 -7.869 1.00 1.11 H new ATOM 0 HE ARG A 58 3.244 -12.413 -7.856 1.00 1.96 H new ATOM 0 HH11 ARG A 58 6.541 -11.154 -8.158 1.00 2.90 H new ATOM 0 HH12 ARG A 58 7.267 -12.566 -7.385 1.00 2.90 H new ATOM 0 HH21 ARG A 58 4.186 -14.203 -6.858 1.00 3.71 H new ATOM 0 HH22 ARG A 58 5.939 -14.285 -6.653 1.00 3.71 H new ATOM 963 N VAL A 59 2.719 -7.149 -7.228 1.00 0.19 N ATOM 964 CA VAL A 59 2.808 -5.746 -7.589 1.00 0.17 C ATOM 965 C VAL A 59 3.315 -5.571 -9.006 1.00 0.17 C ATOM 966 O VAL A 59 4.443 -5.969 -9.331 1.00 0.18 O ATOM 967 CB VAL A 59 3.740 -4.977 -6.634 1.00 0.18 C ATOM 968 CG1 VAL A 59 3.924 -3.536 -7.088 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.197 -5.017 -5.223 1.00 0.20 C ATOM 0 H VAL A 59 3.431 -7.457 -6.566 1.00 0.19 H new ATOM 0 HA VAL A 59 1.799 -5.342 -7.513 1.00 0.17 H new ATOM 0 HB VAL A 59 4.715 -5.464 -6.651 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.587 -3.018 -6.395 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.361 -3.522 -8.087 1.00 0.20 H new ATOM 0 HG13 VAL A 59 2.956 -3.035 -7.108 1.00 0.20 H new ATOM 0 HG21 VAL A 59 3.867 -4.469 -4.560 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.209 -4.558 -5.200 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.124 -6.052 -4.890 1.00 0.20 H new ATOM 979 N ASN A 60 2.469 -4.978 -9.840 1.00 0.17 N ATOM 980 CA ASN A 60 2.869 -4.570 -11.171 1.00 0.18 C ATOM 981 C ASN A 60 3.625 -3.258 -11.050 1.00 0.18 C ATOM 982 O ASN A 60 4.601 -3.020 -11.761 1.00 0.21 O ATOM 983 CB ASN A 60 1.641 -4.403 -12.077 1.00 0.23 C ATOM 984 CG ASN A 60 1.975 -4.364 -13.567 1.00 1.14 C ATOM 985 OD1 ASN A 60 1.175 -4.797 -14.397 1.00 2.02 O ATOM 986 ND2 ASN A 60 3.142 -3.851 -13.924 1.00 1.61 N ATOM 0 H ASN A 60 1.497 -4.770 -9.611 1.00 0.17 H new ATOM 0 HA ASN A 60 3.506 -5.331 -11.621 1.00 0.18 H new ATOM 0 HB2 ASN A 60 0.949 -5.224 -11.891 1.00 0.23 H new ATOM 0 HB3 ASN A 60 1.124 -3.483 -11.806 1.00 0.23 H new ATOM 0 HD21 ASN A 60 3.399 -3.807 -14.910 1.00 1.61 H new ATOM 0 HD22 ASN A 60 3.784 -3.500 -13.213 1.00 1.61 H new ATOM 993 N GLY A 61 3.172 -2.410 -10.133 1.00 0.18 N ATOM 994 CA GLY A 61 3.884 -1.183 -9.865 1.00 0.23 C ATOM 995 C GLY A 61 3.098 -0.234 -8.994 1.00 0.21 C ATOM 996 O GLY A 61 2.424 -0.657 -8.055 1.00 0.21 O ATOM 0 H GLY A 61 2.330 -2.552 -9.576 1.00 0.18 H new ATOM 0 HA2 GLY A 61 4.832 -1.416 -9.379 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.122 -0.692 -10.809 1.00 0.23 H new ATOM 1000 N LEU A 62 3.174 1.046 -9.311 1.00 0.25 N ATOM 1001 CA LEU A 62 2.499 2.069 -8.527 1.00 0.28 C ATOM 1002 C LEU A 62 1.599 2.921 -9.406 1.00 0.32 C ATOM 1003 O LEU A 62 1.859 3.101 -10.597 1.00 0.33 O ATOM 1004 CB LEU A 62 3.519 2.965 -7.820 1.00 0.32 C ATOM 1005 CG LEU A 62 4.350 2.289 -6.731 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.241 3.306 -6.053 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.452 1.620 -5.707 1.00 0.35 C ATOM 0 H LEU A 62 3.698 1.405 -10.109 1.00 0.25 H new ATOM 0 HA LEU A 62 1.886 1.564 -7.780 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.198 3.373 -8.569 1.00 0.32 H new ATOM 0 HB3 LEU A 62 2.989 3.808 -7.377 1.00 0.32 H new ATOM 0 HG LEU A 62 4.971 1.524 -7.197 1.00 0.34 H new ATOM 0 HD11 LEU A 62 5.830 2.815 -5.278 1.00 0.42 H new ATOM 0 HD12 LEU A 62 5.910 3.752 -6.789 1.00 0.42 H new ATOM 0 HD13 LEU A 62 4.626 4.085 -5.602 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.065 1.145 -4.941 1.00 0.35 H new ATOM 0 HD22 LEU A 62 2.808 2.368 -5.244 1.00 0.35 H new ATOM 0 HD23 LEU A 62 2.838 0.866 -6.199 1.00 0.35 H new ATOM 1019 N SER A 63 0.535 3.425 -8.808 1.00 0.39 N ATOM 1020 CA SER A 63 -0.375 4.327 -9.481 1.00 0.48 C ATOM 1021 C SER A 63 0.147 5.759 -9.366 1.00 0.49 C ATOM 1022 O SER A 63 0.721 6.138 -8.345 1.00 0.60 O ATOM 1023 CB SER A 63 -1.775 4.187 -8.884 1.00 0.66 C ATOM 1024 OG SER A 63 -2.337 2.927 -9.210 1.00 1.57 O ATOM 0 H SER A 63 0.279 3.219 -7.842 1.00 0.39 H new ATOM 0 HA SER A 63 -0.437 4.075 -10.540 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.726 4.299 -7.801 1.00 0.66 H new ATOM 0 HB3 SER A 63 -2.417 4.984 -9.259 1.00 0.66 H new ATOM 0 HG SER A 63 -3.166 3.060 -9.716 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.055 6.541 -10.421 1.00 0.66 N ATOM 1031 CA ARG A 64 0.582 7.849 -10.575 1.00 0.78 C ATOM 1032 C ARG A 64 0.125 8.881 -9.535 1.00 0.61 C ATOM 1033 O ARG A 64 0.683 9.978 -9.463 1.00 0.71 O ATOM 1034 CB ARG A 64 0.318 8.368 -11.995 1.00 1.08 C ATOM 1035 CG ARG A 64 1.124 9.599 -12.380 1.00 1.53 C ATOM 1036 CD ARG A 64 2.609 9.415 -12.094 1.00 2.14 C ATOM 1037 NE ARG A 64 3.148 8.207 -12.719 1.00 2.62 N ATOM 1038 CZ ARG A 64 3.854 7.284 -12.069 1.00 3.27 C ATOM 1039 NH1 ARG A 64 4.086 7.417 -10.772 1.00 3.51 N ATOM 1040 NH2 ARG A 64 4.324 6.223 -12.712 1.00 4.02 N ATOM 0 H ARG A 64 -0.666 6.287 -11.197 1.00 0.66 H new ATOM 0 HA ARG A 64 1.650 7.711 -10.407 1.00 0.78 H new ATOM 0 HB2 ARG A 64 0.536 7.571 -12.705 1.00 1.08 H new ATOM 0 HB3 ARG A 64 -0.743 8.600 -12.092 1.00 1.08 H new ATOM 0 HG2 ARG A 64 0.981 9.810 -13.440 1.00 1.53 H new ATOM 0 HG3 ARG A 64 0.752 10.464 -11.830 1.00 1.53 H new ATOM 0 HD2 ARG A 64 3.157 10.285 -12.456 1.00 2.14 H new ATOM 0 HD3 ARG A 64 2.766 9.365 -11.017 1.00 2.14 H new ATOM 0 HE ARG A 64 2.972 8.063 -13.713 1.00 2.62 H new ATOM 0 HH11 ARG A 64 3.724 8.227 -10.270 1.00 3.51 H new ATOM 0 HH12 ARG A 64 4.627 6.709 -10.275 1.00 3.51 H new ATOM 0 HH21 ARG A 64 4.145 6.111 -13.710 1.00 4.02 H new ATOM 0 HH22 ARG A 64 4.864 5.519 -12.208 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.861 8.546 -8.722 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.364 9.494 -7.739 1.00 0.36 C ATOM 1056 C ALA A 65 -1.312 8.931 -6.320 1.00 0.33 C ATOM 1057 O ALA A 65 -1.767 7.812 -6.059 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.777 9.915 -8.091 1.00 0.47 C ATOM 0 H ALA A 65 -1.325 7.638 -8.720 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.713 10.368 -7.764 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -3.141 10.624 -7.348 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.782 10.385 -9.074 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.425 9.039 -8.105 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.721 9.704 -5.393 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.681 9.371 -3.960 1.00 0.37 C ATOM 1066 C PRO A 66 -2.077 9.277 -3.343 1.00 0.33 C ATOM 1067 O PRO A 66 -3.048 9.847 -3.857 1.00 0.34 O ATOM 1068 CB PRO A 66 0.087 10.543 -3.340 1.00 0.45 C ATOM 1069 CG PRO A 66 0.845 11.152 -4.467 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.015 10.965 -5.679 1.00 0.41 C ATOM 0 HA PRO A 66 -0.222 8.398 -3.787 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.593 11.264 -2.888 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.759 10.201 -2.553 1.00 0.45 H new ATOM 0 HG2 PRO A 66 1.039 12.209 -4.283 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.813 10.668 -4.595 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.709 11.795 -5.813 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.580 10.897 -6.590 1.00 0.41 H new ATOM 1078 N ALA A 67 -2.153 8.576 -2.214 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.422 8.242 -1.570 1.00 0.35 C ATOM 1080 C ALA A 67 -4.169 9.477 -1.077 1.00 0.32 C ATOM 1081 O ALA A 67 -5.382 9.428 -0.864 1.00 0.34 O ATOM 1082 CB ALA A 67 -3.182 7.280 -0.414 1.00 0.40 C ATOM 0 H ALA A 67 -1.335 8.223 -1.718 1.00 0.35 H new ATOM 0 HA ALA A 67 -4.050 7.765 -2.322 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -4.133 7.037 0.060 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.720 6.367 -0.790 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.521 7.747 0.317 1.00 0.40 H new ATOM 1088 N SER A 68 -3.445 10.569 -0.888 1.00 0.36 N ATOM 1089 CA SER A 68 -4.048 11.814 -0.439 1.00 0.39 C ATOM 1090 C SER A 68 -4.684 12.575 -1.604 1.00 0.39 C ATOM 1091 O SER A 68 -5.531 13.444 -1.399 1.00 0.47 O ATOM 1092 CB SER A 68 -2.998 12.689 0.250 1.00 0.46 C ATOM 1093 OG SER A 68 -2.405 12.011 1.345 1.00 1.08 O ATOM 0 H SER A 68 -2.437 10.618 -1.039 1.00 0.36 H new ATOM 0 HA SER A 68 -4.835 11.569 0.274 1.00 0.39 H new ATOM 0 HB2 SER A 68 -2.227 12.970 -0.468 1.00 0.46 H new ATOM 0 HB3 SER A 68 -3.462 13.612 0.598 1.00 0.46 H new ATOM 0 HG SER A 68 -1.737 12.591 1.766 1.00 1.08 H new ATOM 1099 N SER A 69 -4.288 12.242 -2.829 1.00 0.37 N ATOM 1100 CA SER A 69 -4.799 12.952 -3.997 1.00 0.41 C ATOM 1101 C SER A 69 -5.868 12.143 -4.731 1.00 0.43 C ATOM 1102 O SER A 69 -6.681 12.705 -5.467 1.00 0.58 O ATOM 1103 CB SER A 69 -3.655 13.316 -4.948 1.00 0.48 C ATOM 1104 OG SER A 69 -2.909 12.173 -5.336 1.00 1.15 O ATOM 0 H SER A 69 -3.624 11.496 -3.037 1.00 0.37 H new ATOM 0 HA SER A 69 -5.268 13.870 -3.642 1.00 0.41 H new ATOM 0 HB2 SER A 69 -4.060 13.804 -5.835 1.00 0.48 H new ATOM 0 HB3 SER A 69 -2.994 14.034 -4.463 1.00 0.48 H new ATOM 0 HG SER A 69 -3.193 11.401 -4.803 1.00 1.15 H new ATOM 1110 N GLU A 70 -5.867 10.829 -4.539 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.863 9.971 -5.174 1.00 0.47 C ATOM 1112 C GLU A 70 -8.160 9.964 -4.376 1.00 0.45 C ATOM 1113 O GLU A 70 -8.200 9.490 -3.239 1.00 0.40 O ATOM 1114 CB GLU A 70 -6.336 8.543 -5.333 1.00 0.53 C ATOM 1115 CG GLU A 70 -5.343 8.387 -6.469 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.974 8.603 -7.834 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -6.139 9.772 -8.249 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -6.293 7.604 -8.511 1.00 1.09 O ATOM 0 H GLU A 70 -5.193 10.336 -3.953 1.00 0.40 H new ATOM 0 HA GLU A 70 -7.066 10.377 -6.165 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -5.862 8.233 -4.402 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -7.177 7.870 -5.501 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.528 9.098 -6.334 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -4.906 7.389 -6.429 1.00 0.69 H new ATOM 1125 N THR A 71 -9.209 10.506 -4.971 1.00 0.57 N ATOM 1126 CA THR A 71 -10.519 10.521 -4.347 1.00 0.59 C ATOM 1127 C THR A 71 -11.451 9.548 -5.049 1.00 0.67 C ATOM 1128 O THR A 71 -11.396 9.398 -6.271 1.00 0.75 O ATOM 1129 CB THR A 71 -11.151 11.928 -4.389 1.00 0.67 C ATOM 1130 OG1 THR A 71 -10.989 12.507 -5.694 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.534 12.844 -3.346 1.00 0.67 C ATOM 0 H THR A 71 -9.177 10.944 -5.892 1.00 0.57 H new ATOM 0 HA THR A 71 -10.383 10.226 -3.307 1.00 0.59 H new ATOM 0 HB THR A 71 -12.213 11.820 -4.167 1.00 0.67 H new ATOM 0 HG1 THR A 71 -11.395 13.399 -5.709 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.002 13.827 -3.403 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.692 12.423 -2.353 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.464 12.940 -3.533 1.00 0.67 H new ATOM 1139 N PHE A 72 -12.296 8.884 -4.281 1.00 0.67 N ATOM 1140 CA PHE A 72 -13.285 7.986 -4.851 1.00 0.74 C ATOM 1141 C PHE A 72 -14.616 8.155 -4.143 1.00 0.76 C ATOM 1142 O PHE A 72 -14.669 8.546 -2.974 1.00 0.74 O ATOM 1143 CB PHE A 72 -12.814 6.526 -4.782 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.620 5.998 -3.386 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.454 6.268 -2.686 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.604 5.241 -2.773 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.274 5.791 -1.404 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.430 4.761 -1.489 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.261 5.009 -0.816 1.00 0.57 C ATOM 0 H PHE A 72 -12.318 8.949 -3.263 1.00 0.67 H new ATOM 0 HA PHE A 72 -13.413 8.243 -5.902 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -13.541 5.898 -5.296 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -11.873 6.435 -5.325 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.678 6.859 -3.150 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.518 5.023 -3.305 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.371 6.024 -0.860 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.215 4.190 -1.015 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.108 4.597 0.170 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.682 7.873 -4.867 1.00 0.83 N ATOM 1160 CA GLU A 73 -17.022 8.031 -4.345 1.00 0.86 C ATOM 1161 C GLU A 73 -17.503 6.728 -3.723 1.00 0.87 C ATOM 1162 O GLU A 73 -17.727 5.732 -4.416 1.00 0.89 O ATOM 1163 CB GLU A 73 -17.964 8.480 -5.463 1.00 0.97 C ATOM 1164 CG GLU A 73 -19.386 8.745 -5.005 1.00 1.02 C ATOM 1165 CD GLU A 73 -20.281 9.155 -6.150 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -20.608 8.293 -6.990 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -20.656 10.342 -6.221 1.00 1.68 O ATOM 0 H GLU A 73 -15.643 7.530 -5.827 1.00 0.83 H new ATOM 0 HA GLU A 73 -17.015 8.795 -3.568 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.565 9.387 -5.918 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -17.980 7.715 -6.239 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -19.788 7.848 -4.533 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -19.383 9.529 -4.248 1.00 1.02 H new ATOM 1174 N HIS A 74 -17.631 6.736 -2.412 1.00 0.90 N ATOM 1175 CA HIS A 74 -18.119 5.586 -1.679 1.00 0.97 C ATOM 1176 C HIS A 74 -19.298 6.013 -0.820 1.00 1.09 C ATOM 1177 O HIS A 74 -19.168 6.924 -0.004 1.00 1.06 O ATOM 1178 CB HIS A 74 -17.001 5.000 -0.812 1.00 0.90 C ATOM 1179 CG HIS A 74 -17.310 3.643 -0.251 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -16.983 2.498 -0.935 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -17.899 3.306 0.920 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -17.379 1.494 -0.170 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -17.941 1.935 0.965 1.00 1.20 N ATOM 0 H HIS A 74 -17.400 7.538 -1.826 1.00 0.90 H new ATOM 0 HA HIS A 74 -18.444 4.814 -2.376 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -16.090 4.937 -1.407 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -16.798 5.684 0.012 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -18.266 3.986 1.675 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -17.264 0.451 -0.427 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -18.325 1.362 1.716 1.00 1.20 H new ATOM 1191 N ASP A 75 -20.445 5.374 -1.033 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.681 5.721 -0.325 1.00 1.48 C ATOM 1193 C ASP A 75 -22.145 7.126 -0.724 1.00 1.39 C ATOM 1194 O ASP A 75 -22.836 7.814 0.027 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.476 5.625 1.195 1.00 1.61 C ATOM 1196 CG ASP A 75 -22.772 5.711 1.975 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -23.676 4.883 1.732 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -22.889 6.596 2.852 1.00 2.80 O ATOM 0 H ASP A 75 -20.548 4.606 -1.696 1.00 1.29 H new ATOM 0 HA ASP A 75 -22.457 5.010 -0.608 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -20.979 4.684 1.430 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -20.811 6.426 1.517 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.761 7.545 -1.923 1.00 1.28 N ATOM 1204 CA GLY A 76 -22.086 8.881 -2.392 1.00 1.24 C ATOM 1205 C GLY A 76 -21.156 9.931 -1.816 1.00 1.14 C ATOM 1206 O GLY A 76 -21.297 11.124 -2.090 1.00 1.18 O ATOM 0 H GLY A 76 -21.227 6.981 -2.584 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -22.030 8.906 -3.480 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -23.114 9.120 -2.120 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.202 9.482 -1.017 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.265 10.361 -0.351 1.00 1.00 C ATOM 1212 C LYS A 77 -17.881 10.260 -0.983 1.00 0.89 C ATOM 1213 O LYS A 77 -17.375 9.166 -1.228 1.00 0.88 O ATOM 1214 CB LYS A 77 -19.227 9.984 1.131 1.00 1.04 C ATOM 1215 CG LYS A 77 -17.919 10.282 1.836 1.00 1.37 C ATOM 1216 CD LYS A 77 -17.762 11.763 2.152 1.00 1.58 C ATOM 1217 CE LYS A 77 -18.750 12.219 3.214 1.00 1.77 C ATOM 1218 NZ LYS A 77 -18.576 13.657 3.545 1.00 2.07 N ATOM 0 H LYS A 77 -20.058 8.493 -0.814 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.586 11.397 -0.457 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -20.028 10.514 1.646 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -19.438 8.919 1.225 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -17.867 9.707 2.761 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -17.088 9.955 1.211 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -16.745 11.956 2.494 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -17.909 12.347 1.243 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -19.767 12.047 2.862 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -18.618 11.620 4.115 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -19.267 13.932 4.272 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -17.613 13.817 3.904 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -18.726 14.231 2.691 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.280 11.407 -1.252 1.00 0.90 N ATOM 1233 CA LYS A 78 -15.956 11.451 -1.846 1.00 0.83 C ATOM 1234 C LYS A 78 -14.884 11.544 -0.778 1.00 0.73 C ATOM 1235 O LYS A 78 -14.686 12.591 -0.158 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.846 12.631 -2.804 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.670 12.452 -4.059 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.830 13.767 -4.802 1.00 1.23 C ATOM 1239 CE LYS A 78 -17.469 13.562 -6.161 1.00 1.77 C ATOM 1240 NZ LYS A 78 -17.846 14.853 -6.795 1.00 2.36 N ATOM 0 H LYS A 78 -17.690 12.322 -1.067 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.804 10.526 -2.403 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -16.166 13.538 -2.292 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -14.801 12.772 -3.079 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -16.192 11.719 -4.710 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.652 12.056 -3.799 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -17.441 14.449 -4.210 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -15.855 14.238 -4.924 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -16.777 13.026 -6.811 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -18.355 12.937 -6.055 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -18.280 14.671 -7.723 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -18.526 15.353 -6.187 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -16.996 15.440 -6.919 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.210 10.436 -0.558 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.091 10.389 0.362 1.00 0.54 C ATOM 1256 C VAL A 79 -11.834 9.994 -0.388 1.00 0.48 C ATOM 1257 O VAL A 79 -11.909 9.375 -1.452 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.330 9.389 1.517 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.411 9.897 2.458 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.693 8.011 0.979 1.00 0.56 C ATOM 0 H VAL A 79 -14.420 9.545 -1.009 1.00 0.63 H new ATOM 0 HA VAL A 79 -12.980 11.383 0.796 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.401 9.300 2.080 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -14.561 9.177 3.262 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.105 10.854 2.881 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.343 10.025 1.907 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -13.856 7.327 1.812 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.603 8.081 0.384 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.880 7.638 0.356 1.00 0.56 H new ATOM 1270 N THR A 80 -10.683 10.367 0.143 1.00 0.42 N ATOM 1271 CA THR A 80 -9.428 9.956 -0.452 1.00 0.37 C ATOM 1272 C THR A 80 -9.099 8.546 0.005 1.00 0.33 C ATOM 1273 O THR A 80 -9.739 8.032 0.929 1.00 0.32 O ATOM 1274 CB THR A 80 -8.262 10.898 -0.077 1.00 0.34 C ATOM 1275 OG1 THR A 80 -7.971 10.800 1.324 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.591 12.342 -0.424 1.00 0.46 C ATOM 0 H THR A 80 -10.593 10.948 0.977 1.00 0.42 H new ATOM 0 HA THR A 80 -9.547 9.996 -1.535 1.00 0.37 H new ATOM 0 HB THR A 80 -7.389 10.590 -0.652 1.00 0.34 H new ATOM 0 HG1 THR A 80 -8.675 11.250 1.837 1.00 0.35 H new ATOM 0 HG21 THR A 80 -7.753 12.982 -0.149 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.776 12.426 -1.495 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.481 12.654 0.123 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.123 7.919 -0.627 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.681 6.598 -0.197 1.00 0.31 C ATOM 1286 C ILE A 81 -7.258 6.664 1.271 1.00 0.27 C ATOM 1287 O ILE A 81 -7.588 5.789 2.080 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.503 6.099 -1.063 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.810 6.322 -2.550 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.217 4.626 -0.788 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.955 5.486 -3.081 1.00 0.40 C ATOM 0 H ILE A 81 -7.623 8.296 -1.432 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.506 5.896 -0.314 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.612 6.670 -0.801 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -7.041 7.376 -2.707 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.914 6.102 -3.131 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.384 4.295 -1.408 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.961 4.495 0.263 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -7.102 4.034 -1.022 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -8.105 5.705 -4.138 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.721 4.429 -2.959 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.865 5.722 -2.529 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.572 7.753 1.609 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.139 8.007 2.974 1.00 0.25 C ATOM 1305 C ALA A 82 -7.332 8.190 3.906 1.00 0.24 C ATOM 1306 O ALA A 82 -7.362 7.633 5.002 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.246 9.236 3.018 1.00 0.26 C ATOM 0 H ALA A 82 -6.303 8.479 0.945 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.573 7.141 3.317 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -4.927 9.418 4.044 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.370 9.072 2.390 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.799 10.101 2.651 1.00 0.26 H new ATOM 1313 N SER A 83 -8.313 8.971 3.459 1.00 0.26 N ATOM 1314 CA SER A 83 -9.511 9.239 4.251 1.00 0.28 C ATOM 1315 C SER A 83 -10.236 7.942 4.600 1.00 0.26 C ATOM 1316 O SER A 83 -10.728 7.780 5.716 1.00 0.27 O ATOM 1317 CB SER A 83 -10.467 10.160 3.488 1.00 0.34 C ATOM 1318 OG SER A 83 -9.834 11.367 3.092 1.00 1.16 O ATOM 0 H SER A 83 -8.301 9.431 2.549 1.00 0.26 H new ATOM 0 HA SER A 83 -9.194 9.729 5.172 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.845 9.642 2.607 1.00 0.34 H new ATOM 0 HB3 SER A 83 -11.328 10.390 4.116 1.00 0.34 H new ATOM 0 HG SER A 83 -10.507 11.992 2.751 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.286 7.021 3.645 1.00 0.27 N ATOM 1325 CA TYR A 84 -10.995 5.762 3.827 1.00 0.29 C ATOM 1326 C TYR A 84 -10.356 4.944 4.946 1.00 0.27 C ATOM 1327 O TYR A 84 -11.046 4.454 5.844 1.00 0.29 O ATOM 1328 CB TYR A 84 -11.003 4.970 2.518 1.00 0.34 C ATOM 1329 CG TYR A 84 -12.024 3.856 2.479 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -13.383 4.139 2.548 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.636 2.528 2.361 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -14.326 3.130 2.503 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -12.573 1.513 2.313 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.918 1.819 2.384 1.00 0.78 C ATOM 1335 OH TYR A 84 -14.857 0.811 2.337 1.00 0.95 O ATOM 0 H TYR A 84 -9.841 7.124 2.733 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.025 5.978 4.110 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.196 5.655 1.692 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -10.012 4.546 2.356 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.708 5.165 2.638 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -10.585 2.284 2.306 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -15.378 3.368 2.561 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -12.255 0.485 2.220 1.00 0.71 H new ATOM 0 HH TYR A 84 -14.404 -0.054 2.251 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.037 4.811 4.899 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.310 4.084 5.936 1.00 0.27 C ATOM 1347 C PHE A 85 -8.369 4.816 7.273 1.00 0.28 C ATOM 1348 O PHE A 85 -8.508 4.189 8.325 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.863 3.845 5.515 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.717 2.714 4.543 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -6.997 2.892 3.199 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -6.315 1.464 4.979 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.881 1.844 2.309 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -6.194 0.413 4.094 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.479 0.602 2.758 1.00 0.29 C ATOM 0 H PHE A 85 -8.449 5.194 4.159 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.795 3.117 6.065 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.465 4.756 5.067 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.262 3.636 6.400 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.310 3.862 2.843 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -6.093 1.309 6.025 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -7.104 1.995 1.263 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.876 -0.557 4.447 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.388 -0.220 2.064 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.278 6.140 7.227 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.342 6.958 8.434 1.00 0.29 C ATOM 1367 C HIS A 86 -9.697 6.789 9.117 1.00 0.31 C ATOM 1368 O HIS A 86 -9.795 6.771 10.345 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.102 8.430 8.085 1.00 0.30 C ATOM 1370 CG HIS A 86 -7.944 9.321 9.279 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -9.001 10.032 9.793 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -6.836 9.584 10.010 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -8.514 10.708 10.820 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -7.207 10.468 10.989 1.00 0.85 N ATOM 0 H HIS A 86 -8.159 6.672 6.365 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.563 6.630 9.123 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.207 8.505 7.467 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -8.936 8.791 7.483 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -5.849 9.176 9.852 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -9.096 11.370 11.444 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -6.604 10.867 11.708 1.00 0.85 H new ATOM 1382 N SER A 87 -10.735 6.642 8.308 1.00 0.29 N ATOM 1383 CA SER A 87 -12.080 6.426 8.817 1.00 0.35 C ATOM 1384 C SER A 87 -12.192 5.049 9.471 1.00 0.41 C ATOM 1385 O SER A 87 -13.036 4.829 10.337 1.00 0.48 O ATOM 1386 CB SER A 87 -13.099 6.556 7.685 1.00 0.36 C ATOM 1387 OG SER A 87 -13.011 7.825 7.057 1.00 1.31 O ATOM 0 H SER A 87 -10.670 6.669 7.290 1.00 0.29 H new ATOM 0 HA SER A 87 -12.290 7.185 9.571 1.00 0.35 H new ATOM 0 HB2 SER A 87 -12.930 5.771 6.948 1.00 0.36 H new ATOM 0 HB3 SER A 87 -14.105 6.412 8.080 1.00 0.36 H new ATOM 0 HG SER A 87 -12.344 7.790 6.340 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.333 4.127 9.050 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.332 2.776 9.580 1.00 0.46 C ATOM 1395 C ARG A 88 -10.349 2.638 10.741 1.00 0.48 C ATOM 1396 O ARG A 88 -9.807 1.559 10.977 1.00 0.57 O ATOM 1397 CB ARG A 88 -10.995 1.778 8.473 1.00 0.49 C ATOM 1398 CG ARG A 88 -12.107 1.599 7.451 1.00 1.05 C ATOM 1399 CD ARG A 88 -13.395 1.119 8.106 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.188 -0.100 8.891 1.00 1.92 N ATOM 1401 CZ ARG A 88 -14.178 -0.875 9.345 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -15.443 -0.546 9.129 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -13.897 -1.969 10.044 1.00 3.55 N ATOM 0 H ARG A 88 -10.624 4.297 8.337 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.330 2.559 9.961 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -10.092 2.109 7.960 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -10.769 0.812 8.924 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -12.288 2.544 6.940 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -11.794 0.881 6.693 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -13.788 1.904 8.752 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -14.145 0.933 7.338 1.00 1.21 H new ATOM 0 HE ARG A 88 -12.229 -0.375 9.104 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -15.668 0.304 8.613 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -16.192 -1.143 9.479 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -12.926 -2.217 10.234 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -14.652 -2.561 10.391 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.113 3.752 11.438 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.318 3.772 12.672 1.00 0.47 C ATOM 1419 C ASN A 89 -7.829 3.557 12.418 1.00 0.48 C ATOM 1420 O ASN A 89 -7.083 3.216 13.338 1.00 0.67 O ATOM 1421 CB ASN A 89 -9.820 2.721 13.676 1.00 0.55 C ATOM 1422 CG ASN A 89 -11.233 2.982 14.166 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -11.684 4.126 14.219 1.00 1.45 O ATOM 1424 ND2 ASN A 89 -11.931 1.921 14.548 1.00 1.98 N ATOM 0 H ASN A 89 -10.468 4.668 11.164 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.446 4.769 13.093 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -9.781 1.736 13.210 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -9.145 2.696 14.532 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -12.880 2.036 14.903 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -11.518 0.990 14.487 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.383 3.761 11.189 1.00 0.39 N ATOM 1432 CA TYR A 90 -5.963 3.650 10.892 1.00 0.38 C ATOM 1433 C TYR A 90 -5.462 4.896 10.177 1.00 0.32 C ATOM 1434 O TYR A 90 -5.654 5.057 8.973 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.657 2.406 10.056 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.172 2.162 9.895 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.405 1.663 10.942 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.542 2.408 8.682 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.054 1.422 10.784 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.192 2.171 8.517 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.434 1.747 9.629 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.108 1.435 9.407 1.00 0.52 O ATOM 0 H TYR A 90 -7.972 4.001 10.392 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.440 3.554 11.843 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.115 1.536 10.526 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.112 2.514 9.072 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -3.873 1.461 11.894 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -4.118 2.792 7.853 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.491 0.972 11.588 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -1.724 2.308 7.553 1.00 0.46 H new ATOM 0 HH TYR A 90 -0.036 0.853 8.622 1.00 0.52 H new ATOM 1452 N PRO A 91 -4.816 5.800 10.921 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.241 7.012 10.351 1.00 0.33 C ATOM 1454 C PRO A 91 -2.927 6.729 9.618 1.00 0.33 C ATOM 1455 O PRO A 91 -1.926 6.356 10.231 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.008 7.893 11.581 1.00 0.40 C ATOM 1457 CG PRO A 91 -3.775 6.931 12.695 1.00 0.44 C ATOM 1458 CD PRO A 91 -4.604 5.712 12.380 1.00 0.41 C ATOM 0 HA PRO A 91 -4.885 7.473 9.602 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.151 8.551 11.440 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -4.870 8.530 11.781 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -2.719 6.674 12.772 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.068 7.364 13.651 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.086 4.793 12.655 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.549 5.719 12.923 1.00 0.41 H new ATOM 1466 N LEU A 92 -2.946 6.898 8.301 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.762 6.678 7.479 1.00 0.35 C ATOM 1468 C LEU A 92 -0.673 7.689 7.815 1.00 0.38 C ATOM 1469 O LEU A 92 -0.912 8.897 7.824 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.119 6.768 5.993 1.00 0.36 C ATOM 1471 CG LEU A 92 -3.007 5.638 5.472 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -3.382 5.876 4.019 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.303 4.299 5.622 1.00 0.45 C ATOM 0 H LEU A 92 -3.772 7.188 7.778 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.384 5.678 7.692 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.622 7.718 5.813 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.196 6.781 5.413 1.00 0.36 H new ATOM 0 HG LEU A 92 -3.921 5.621 6.065 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -4.014 5.060 3.668 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.924 6.818 3.933 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.477 5.921 3.412 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -2.948 3.505 5.247 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.373 4.311 5.053 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.082 4.120 6.674 1.00 0.45 H new ATOM 1485 N LYS A 93 0.523 7.184 8.093 1.00 0.41 N ATOM 1486 CA LYS A 93 1.644 8.034 8.477 1.00 0.46 C ATOM 1487 C LYS A 93 2.224 8.768 7.270 1.00 0.44 C ATOM 1488 O LYS A 93 2.763 9.866 7.401 1.00 0.47 O ATOM 1489 CB LYS A 93 2.733 7.201 9.163 1.00 0.54 C ATOM 1490 CG LYS A 93 2.263 6.517 10.440 1.00 0.73 C ATOM 1491 CD LYS A 93 3.414 5.869 11.200 1.00 0.75 C ATOM 1492 CE LYS A 93 4.018 4.691 10.447 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.051 3.576 10.280 1.00 1.99 N ATOM 0 H LYS A 93 0.742 6.188 8.060 1.00 0.41 H new ATOM 0 HA LYS A 93 1.272 8.781 9.178 1.00 0.46 H new ATOM 0 HB2 LYS A 93 3.093 6.444 8.466 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.579 7.847 9.397 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.771 7.248 11.082 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.520 5.759 10.192 1.00 0.73 H new ATOM 0 HD2 LYS A 93 4.188 6.614 11.385 1.00 0.75 H new ATOM 0 HD3 LYS A 93 3.058 5.531 12.173 1.00 0.75 H new ATOM 0 HE2 LYS A 93 4.358 5.025 9.467 1.00 1.45 H new ATOM 0 HE3 LYS A 93 4.896 4.331 10.983 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.520 2.777 9.808 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 2.707 3.272 11.213 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 2.248 3.897 9.702 1.00 1.99 H new ATOM 1507 N PHE A 94 2.106 8.157 6.096 1.00 0.42 N ATOM 1508 CA PHE A 94 2.611 8.753 4.856 1.00 0.43 C ATOM 1509 C PHE A 94 1.661 8.482 3.691 1.00 0.42 C ATOM 1510 O PHE A 94 1.999 7.753 2.760 1.00 0.45 O ATOM 1511 CB PHE A 94 4.006 8.216 4.503 1.00 0.49 C ATOM 1512 CG PHE A 94 4.481 7.110 5.394 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.896 5.857 5.332 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.514 7.325 6.292 1.00 0.46 C ATOM 1515 CE1 PHE A 94 4.330 4.834 6.151 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.953 6.307 7.112 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.362 5.064 7.048 1.00 0.56 C ATOM 0 H PHE A 94 1.664 7.246 5.973 1.00 0.42 H new ATOM 0 HA PHE A 94 2.678 9.828 5.025 1.00 0.43 H new ATOM 0 HB2 PHE A 94 3.996 7.859 3.473 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.721 9.037 4.549 1.00 0.49 H new ATOM 0 HD1 PHE A 94 3.091 5.678 4.635 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.979 8.298 6.350 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.868 3.859 6.093 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.762 6.484 7.806 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.702 4.270 7.696 1.00 0.56 H new ATOM 1527 N PRO A 95 0.452 9.059 3.725 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.527 8.888 2.648 1.00 0.53 C ATOM 1529 C PRO A 95 -0.139 9.640 1.372 1.00 0.52 C ATOM 1530 O PRO A 95 -0.776 9.486 0.328 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.810 9.444 3.255 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.355 10.456 4.245 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.060 9.932 4.801 1.00 0.54 C ATOM 0 HA PRO A 95 -0.612 7.850 2.328 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.445 9.895 2.492 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.394 8.658 3.733 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.213 11.428 3.773 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -2.094 10.590 5.035 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.636 10.740 5.027 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.216 9.378 5.727 1.00 0.54 H new ATOM 1541 N GLN A 96 0.915 10.447 1.461 1.00 0.48 N ATOM 1542 CA GLN A 96 1.396 11.217 0.317 1.00 0.50 C ATOM 1543 C GLN A 96 2.250 10.347 -0.598 1.00 0.54 C ATOM 1544 O GLN A 96 2.787 10.817 -1.597 1.00 0.62 O ATOM 1545 CB GLN A 96 2.203 12.436 0.773 1.00 0.53 C ATOM 1546 CG GLN A 96 1.399 13.451 1.572 1.00 1.09 C ATOM 1547 CD GLN A 96 1.203 13.051 3.023 1.00 1.86 C ATOM 1548 OE1 GLN A 96 2.196 12.390 3.604 1.00 2.61 O flip ATOM 1549 NE2 GLN A 96 0.176 13.357 3.628 1.00 2.52 N flip ATOM 0 H GLN A 96 1.454 10.585 2.316 1.00 0.48 H new ATOM 0 HA GLN A 96 0.524 11.565 -0.236 1.00 0.50 H new ATOM 0 HB2 GLN A 96 3.043 12.096 1.379 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.622 12.930 -0.104 1.00 0.53 H new ATOM 0 HG2 GLN A 96 1.904 14.416 1.533 1.00 1.09 H new ATOM 0 HG3 GLN A 96 0.424 13.582 1.103 1.00 1.09 H new ATOM 0 HE21 GLN A 96 -0.566 13.866 3.148 1.00 2.52 H new ATOM 0 HE22 GLN A 96 0.067 13.102 4.610 1.00 2.52 H new ATOM 1558 N LEU A 97 2.378 9.080 -0.243 1.00 0.54 N ATOM 1559 CA LEU A 97 3.092 8.125 -1.071 1.00 0.67 C ATOM 1560 C LEU A 97 2.157 7.576 -2.148 1.00 0.73 C ATOM 1561 O LEU A 97 0.965 7.370 -1.898 1.00 1.41 O ATOM 1562 CB LEU A 97 3.641 6.981 -0.212 1.00 0.84 C ATOM 1563 CG LEU A 97 4.612 7.398 0.893 1.00 1.07 C ATOM 1564 CD1 LEU A 97 5.108 6.173 1.642 1.00 1.56 C ATOM 1565 CD2 LEU A 97 5.784 8.179 0.316 1.00 1.50 C ATOM 0 H LEU A 97 1.995 8.688 0.617 1.00 0.54 H new ATOM 0 HA LEU A 97 3.931 8.629 -1.551 1.00 0.67 H new ATOM 0 HB2 LEU A 97 2.801 6.457 0.244 1.00 0.84 H new ATOM 0 HB3 LEU A 97 4.145 6.268 -0.865 1.00 0.84 H new ATOM 0 HG LEU A 97 4.083 8.047 1.591 1.00 1.07 H new ATOM 0 HD11 LEU A 97 5.799 6.481 2.427 1.00 1.56 H new ATOM 0 HD12 LEU A 97 4.261 5.652 2.088 1.00 1.56 H new ATOM 0 HD13 LEU A 97 5.620 5.506 0.949 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.462 8.465 1.120 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.317 7.557 -0.403 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.414 9.075 -0.183 1.00 1.50 H new ATOM 1577 N HIS A 98 2.700 7.374 -3.346 1.00 0.47 N ATOM 1578 CA HIS A 98 1.942 6.814 -4.462 1.00 0.43 C ATOM 1579 C HIS A 98 1.319 5.476 -4.090 1.00 0.49 C ATOM 1580 O HIS A 98 1.959 4.620 -3.474 1.00 0.89 O ATOM 1581 CB HIS A 98 2.840 6.647 -5.691 1.00 0.49 C ATOM 1582 CG HIS A 98 3.214 7.943 -6.338 1.00 0.44 C ATOM 1583 ND1 HIS A 98 4.156 8.771 -5.785 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.732 8.515 -7.464 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.223 9.825 -6.577 1.00 0.45 C ATOM 1586 NE2 HIS A 98 3.378 9.717 -7.612 1.00 0.51 N ATOM 0 H HIS A 98 3.671 7.592 -3.570 1.00 0.47 H new ATOM 0 HA HIS A 98 1.139 7.512 -4.699 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.749 6.121 -5.398 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.329 6.019 -6.422 1.00 0.49 H new ATOM 0 HD2 HIS A 98 1.981 8.104 -8.122 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.877 10.669 -6.412 1.00 0.45 H new ATOM 0 HE2 HIS A 98 3.242 10.395 -8.362 1.00 0.51 H new ATOM 1594 N CYS A 99 0.060 5.317 -4.470 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.706 4.127 -4.143 1.00 0.36 C ATOM 1596 C CYS A 99 -0.179 2.915 -4.897 1.00 0.34 C ATOM 1597 O CYS A 99 0.234 3.019 -6.054 1.00 0.43 O ATOM 1598 CB CYS A 99 -2.169 4.344 -4.504 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.860 5.899 -3.898 1.00 0.55 S ATOM 0 H CYS A 99 -0.457 6.009 -5.013 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.609 3.942 -3.073 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -2.272 4.312 -5.589 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.757 3.518 -4.103 1.00 0.44 H new ATOM 0 HG CYS A 99 -2.489 6.871 -4.677 1.00 0.55 H new ATOM 1605 N LEU A 100 -0.211 1.767 -4.237 1.00 0.25 N ATOM 1606 CA LEU A 100 0.237 0.524 -4.837 1.00 0.24 C ATOM 1607 C LEU A 100 -0.715 0.111 -5.949 1.00 0.23 C ATOM 1608 O LEU A 100 -1.928 0.083 -5.744 1.00 0.31 O ATOM 1609 CB LEU A 100 0.299 -0.578 -3.778 1.00 0.30 C ATOM 1610 CG LEU A 100 0.943 -1.884 -4.234 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.425 -1.676 -4.496 1.00 0.32 C ATOM 1612 CD2 LEU A 100 0.727 -2.971 -3.195 1.00 0.47 C ATOM 0 H LEU A 100 -0.546 1.673 -3.278 1.00 0.25 H new ATOM 0 HA LEU A 100 1.233 0.675 -5.254 1.00 0.24 H new ATOM 0 HB2 LEU A 100 0.851 -0.201 -2.917 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.715 -0.791 -3.439 1.00 0.30 H new ATOM 0 HG LEU A 100 0.471 -2.202 -5.164 1.00 0.31 H new ATOM 0 HD11 LEU A 100 2.872 -2.615 -4.821 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.555 -0.924 -5.274 1.00 0.32 H new ATOM 0 HD13 LEU A 100 2.912 -1.339 -3.581 1.00 0.32 H new ATOM 0 HD21 LEU A 100 1.192 -3.896 -3.535 1.00 0.47 H new ATOM 0 HD22 LEU A 100 1.175 -2.665 -2.250 1.00 0.47 H new ATOM 0 HD23 LEU A 100 -0.342 -3.132 -3.054 1.00 0.47 H new ATOM 1624 N ASN A 101 -0.170 -0.196 -7.119 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.984 -0.632 -8.245 1.00 0.22 C ATOM 1626 C ASN A 101 -0.922 -2.147 -8.374 1.00 0.22 C ATOM 1627 O ASN A 101 0.040 -2.709 -8.931 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.531 0.033 -9.548 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.408 -0.347 -10.731 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -2.592 -0.641 -10.576 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -0.832 -0.333 -11.926 1.00 1.06 N ATOM 0 H ASN A 101 0.830 -0.151 -7.312 1.00 0.21 H new ATOM 0 HA ASN A 101 -2.015 -0.331 -8.058 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.544 1.116 -9.423 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.500 -0.251 -9.758 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -1.374 -0.571 -12.756 1.00 1.06 H new ATOM 0 HD22 ASN A 101 0.153 -0.084 -12.014 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.940 -2.797 -7.823 1.00 0.25 N ATOM 1639 CA VAL A 102 -2.055 -4.244 -7.870 1.00 0.32 C ATOM 1640 C VAL A 102 -3.460 -4.652 -8.290 1.00 0.38 C ATOM 1641 O VAL A 102 -4.287 -3.805 -8.642 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.727 -4.897 -6.508 1.00 0.35 C ATOM 1643 CG1 VAL A 102 -0.244 -4.801 -6.208 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.536 -4.254 -5.391 1.00 0.32 C ATOM 0 H VAL A 102 -2.706 -2.335 -7.333 1.00 0.25 H new ATOM 0 HA VAL A 102 -1.329 -4.596 -8.603 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.999 -5.951 -6.567 1.00 0.35 H new ATOM 0 HG11 VAL A 102 -0.037 -5.267 -5.245 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.319 -5.314 -6.988 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.054 -3.753 -6.175 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -2.288 -4.730 -4.442 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -2.300 -3.191 -5.336 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.600 -4.380 -5.593 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.726 -5.946 -8.253 1.00 0.50 N ATOM 1655 CA GLY A 103 -5.023 -6.447 -8.642 1.00 0.60 C ATOM 1656 C GLY A 103 -5.032 -6.852 -10.096 1.00 0.69 C ATOM 1657 O GLY A 103 -4.716 -7.993 -10.437 1.00 0.82 O ATOM 0 H GLY A 103 -3.062 -6.662 -7.958 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -5.288 -7.303 -8.021 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.779 -5.681 -8.469 1.00 0.60 H new ATOM 1661 N SER A 104 -5.378 -5.911 -10.950 1.00 0.69 N ATOM 1662 CA SER A 104 -5.379 -6.132 -12.381 1.00 0.79 C ATOM 1663 C SER A 104 -5.152 -4.808 -13.102 1.00 0.82 C ATOM 1664 O SER A 104 -5.298 -3.738 -12.510 1.00 0.75 O ATOM 1665 CB SER A 104 -6.706 -6.764 -12.813 1.00 0.95 C ATOM 1666 OG SER A 104 -6.714 -7.054 -14.199 1.00 1.63 O ATOM 0 H SER A 104 -5.666 -4.973 -10.672 1.00 0.69 H new ATOM 0 HA SER A 104 -4.573 -6.817 -12.644 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.875 -7.680 -12.247 1.00 0.95 H new ATOM 0 HB3 SER A 104 -7.527 -6.087 -12.577 1.00 0.95 H new ATOM 0 HG SER A 104 -7.403 -7.724 -14.389 1.00 1.63 H new ATOM 1672 N SER A 105 -4.784 -4.878 -14.373 1.00 0.99 N ATOM 1673 CA SER A 105 -4.613 -3.681 -15.176 1.00 1.12 C ATOM 1674 C SER A 105 -5.978 -3.075 -15.507 1.00 1.19 C ATOM 1675 O SER A 105 -6.107 -1.863 -15.698 1.00 1.31 O ATOM 1676 CB SER A 105 -3.839 -4.005 -16.454 1.00 1.36 C ATOM 1677 OG SER A 105 -3.532 -2.831 -17.185 1.00 1.63 O ATOM 0 H SER A 105 -4.599 -5.751 -14.868 1.00 0.99 H new ATOM 0 HA SER A 105 -4.038 -2.950 -14.607 1.00 1.12 H new ATOM 0 HB2 SER A 105 -2.917 -4.528 -16.200 1.00 1.36 H new ATOM 0 HB3 SER A 105 -4.427 -4.679 -17.076 1.00 1.36 H new ATOM 0 HG SER A 105 -3.036 -3.071 -17.995 1.00 1.63 H new ATOM 1683 N ILE A 106 -6.999 -3.926 -15.565 1.00 1.22 N ATOM 1684 CA ILE A 106 -8.359 -3.460 -15.795 1.00 1.35 C ATOM 1685 C ILE A 106 -9.037 -3.133 -14.468 1.00 1.21 C ATOM 1686 O ILE A 106 -9.719 -2.116 -14.342 1.00 1.38 O ATOM 1687 CB ILE A 106 -9.206 -4.484 -16.586 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -9.223 -5.849 -15.886 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -8.679 -4.614 -18.008 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -10.110 -6.871 -16.565 1.00 2.18 C ATOM 0 H ILE A 106 -6.909 -4.936 -15.456 1.00 1.22 H new ATOM 0 HA ILE A 106 -8.291 -2.557 -16.402 1.00 1.35 H new ATOM 0 HB ILE A 106 -10.233 -4.120 -16.625 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -8.205 -6.237 -15.841 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -9.559 -5.716 -14.858 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -9.283 -5.338 -18.555 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -8.733 -3.646 -18.506 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -7.643 -4.952 -17.983 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -10.071 -7.810 -16.013 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -11.137 -6.505 -16.586 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -9.762 -7.034 -17.585 1.00 2.18 H new ATOM 1702 N LYS A 107 -8.829 -3.991 -13.476 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.350 -3.765 -12.136 1.00 0.86 C ATOM 1704 C LYS A 107 -8.205 -3.400 -11.200 1.00 0.69 C ATOM 1705 O LYS A 107 -7.629 -4.261 -10.534 1.00 0.64 O ATOM 1706 CB LYS A 107 -10.077 -5.022 -11.637 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.618 -4.924 -10.214 1.00 0.89 C ATOM 1708 CD LYS A 107 -11.315 -6.214 -9.807 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.756 -6.203 -8.349 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.545 -7.419 -8.007 1.00 1.41 N ATOM 0 H LYS A 107 -8.298 -4.856 -13.578 1.00 0.98 H new ATOM 0 HA LYS A 107 -10.064 -2.941 -12.157 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.905 -5.238 -12.312 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.392 -5.868 -11.693 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.801 -4.714 -9.524 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.317 -4.091 -10.143 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -12.185 -6.370 -10.445 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.642 -7.055 -9.973 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -10.880 -6.143 -7.703 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -12.355 -5.313 -8.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -12.829 -7.379 -7.007 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -13.394 -7.462 -8.607 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -11.964 -8.266 -8.168 1.00 1.41 H new ATOM 1724 N SER A 108 -7.867 -2.122 -11.164 1.00 0.64 N ATOM 1725 CA SER A 108 -6.768 -1.658 -10.341 1.00 0.52 C ATOM 1726 C SER A 108 -7.244 -1.391 -8.926 1.00 0.44 C ATOM 1727 O SER A 108 -8.275 -0.751 -8.713 1.00 0.46 O ATOM 1728 CB SER A 108 -6.150 -0.388 -10.935 1.00 0.55 C ATOM 1729 OG SER A 108 -5.647 -0.638 -12.237 1.00 1.25 O ATOM 0 H SER A 108 -8.338 -1.390 -11.695 1.00 0.64 H new ATOM 0 HA SER A 108 -6.007 -2.438 -10.315 1.00 0.52 H new ATOM 0 HB2 SER A 108 -6.899 0.403 -10.975 1.00 0.55 H new ATOM 0 HB3 SER A 108 -5.346 -0.033 -10.291 1.00 0.55 H new ATOM 0 HG SER A 108 -5.523 -1.602 -12.360 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.499 -1.901 -7.967 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.752 -1.593 -6.579 1.00 0.33 C ATOM 1737 C ILE A 109 -5.554 -0.855 -6.014 1.00 0.30 C ATOM 1738 O ILE A 109 -4.407 -1.291 -6.164 1.00 0.28 O ATOM 1739 CB ILE A 109 -7.055 -2.855 -5.733 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.977 -3.924 -5.932 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.431 -3.405 -6.080 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -6.122 -5.121 -5.014 1.00 0.44 C ATOM 0 H ILE A 109 -5.713 -2.531 -8.126 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.643 -0.967 -6.530 1.00 0.33 H new ATOM 0 HB ILE A 109 -7.050 -2.570 -4.681 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -6.005 -4.266 -6.966 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.998 -3.473 -5.772 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.631 -4.292 -5.478 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -9.188 -2.648 -5.874 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -8.461 -3.670 -7.137 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -5.322 -5.833 -5.216 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -6.063 -4.793 -3.976 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -7.086 -5.599 -5.189 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.826 0.283 -5.402 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.779 1.133 -4.877 1.00 0.29 C ATOM 1756 C LEU A 110 -4.648 0.914 -3.384 1.00 0.25 C ATOM 1757 O LEU A 110 -5.600 1.102 -2.634 1.00 0.26 O ATOM 1758 CB LEU A 110 -5.090 2.605 -5.179 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.689 3.105 -6.576 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.387 2.323 -7.680 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -4.998 4.585 -6.709 1.00 1.32 C ATOM 0 H LEU A 110 -6.771 0.640 -5.257 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.834 0.877 -5.357 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -6.161 2.763 -5.052 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.586 3.222 -4.435 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.616 2.947 -6.688 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.076 2.708 -8.651 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.119 1.269 -7.605 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.467 2.431 -7.576 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.710 4.929 -7.702 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -6.066 4.748 -6.564 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -4.440 5.142 -5.956 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.470 0.512 -2.951 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.265 0.167 -1.555 1.00 0.23 C ATOM 1775 C LEU A 111 -2.088 0.935 -0.978 1.00 0.24 C ATOM 1776 O LEU A 111 -1.092 1.167 -1.661 1.00 0.22 O ATOM 1777 CB LEU A 111 -3.028 -1.342 -1.418 1.00 0.22 C ATOM 1778 CG LEU A 111 -4.195 -2.229 -1.862 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.807 -3.700 -1.789 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.429 -1.958 -1.006 1.00 0.28 C ATOM 0 H LEU A 111 -2.643 0.416 -3.540 1.00 0.23 H new ATOM 0 HA LEU A 111 -4.160 0.441 -0.996 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -2.147 -1.610 -2.001 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.800 -1.564 -0.376 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.435 -1.988 -2.898 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.649 -4.315 -2.108 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.955 -3.884 -2.443 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.540 -3.955 -0.764 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.248 -2.597 -1.336 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.201 -2.170 0.039 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.721 -0.913 -1.109 1.00 0.28 H new ATOM 1792 N PRO A 112 -2.205 1.375 0.280 1.00 0.29 N ATOM 1793 CA PRO A 112 -1.093 1.982 0.999 1.00 0.32 C ATOM 1794 C PRO A 112 0.046 0.987 1.173 1.00 0.28 C ATOM 1795 O PRO A 112 -0.098 -0.013 1.876 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.690 2.366 2.358 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.938 1.561 2.484 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.432 1.325 1.086 1.00 0.36 C ATOM 0 HA PRO A 112 -0.671 2.837 0.470 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.996 2.144 3.169 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.905 3.434 2.405 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -2.742 0.616 2.991 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.684 2.091 3.076 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.934 0.362 0.994 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -4.147 2.088 0.778 1.00 0.36 H new ATOM 1806 N ILE A 113 1.169 1.264 0.518 1.00 0.27 N ATOM 1807 CA ILE A 113 2.340 0.388 0.555 1.00 0.28 C ATOM 1808 C ILE A 113 2.826 0.181 1.996 1.00 0.26 C ATOM 1809 O ILE A 113 3.522 -0.784 2.300 1.00 0.29 O ATOM 1810 CB ILE A 113 3.475 0.940 -0.344 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.623 -0.067 -0.455 1.00 0.47 C ATOM 1812 CG2 ILE A 113 3.982 2.276 0.182 1.00 0.36 C ATOM 1813 CD1 ILE A 113 5.682 0.330 -1.462 1.00 0.69 C ATOM 0 H ILE A 113 1.295 2.100 -0.053 1.00 0.27 H new ATOM 0 HA ILE A 113 2.045 -0.584 0.160 1.00 0.28 H new ATOM 0 HB ILE A 113 3.065 1.100 -1.341 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.089 -0.183 0.523 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.217 -1.040 -0.732 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.778 2.643 -0.465 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.164 2.996 0.195 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.368 2.146 1.193 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.463 -0.430 -1.487 1.00 0.69 H new ATOM 0 HD12 ILE A 113 5.230 0.418 -2.450 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.116 1.288 -1.175 1.00 0.69 H new ATOM 1825 N GLU A 114 2.447 1.108 2.872 1.00 0.27 N ATOM 1826 CA GLU A 114 2.687 0.989 4.308 1.00 0.34 C ATOM 1827 C GLU A 114 2.165 -0.348 4.860 1.00 0.33 C ATOM 1828 O GLU A 114 2.777 -0.942 5.749 1.00 0.42 O ATOM 1829 CB GLU A 114 2.020 2.177 5.024 1.00 0.38 C ATOM 1830 CG GLU A 114 1.437 1.855 6.393 1.00 0.45 C ATOM 1831 CD GLU A 114 2.104 2.622 7.514 1.00 1.16 C ATOM 1832 OE1 GLU A 114 3.269 2.315 7.833 1.00 1.74 O ATOM 1833 OE2 GLU A 114 1.462 3.525 8.097 1.00 1.77 O ATOM 0 H GLU A 114 1.963 1.966 2.605 1.00 0.27 H new ATOM 0 HA GLU A 114 3.762 1.007 4.490 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.755 2.974 5.137 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.224 2.565 4.388 1.00 0.38 H new ATOM 0 HG2 GLU A 114 0.371 2.080 6.390 1.00 0.45 H new ATOM 0 HG3 GLU A 114 1.536 0.786 6.582 1.00 0.45 H new ATOM 1840 N LEU A 115 1.051 -0.824 4.307 1.00 0.27 N ATOM 1841 CA LEU A 115 0.417 -2.057 4.777 1.00 0.31 C ATOM 1842 C LEU A 115 0.840 -3.245 3.929 1.00 0.26 C ATOM 1843 O LEU A 115 0.253 -4.326 4.006 1.00 0.30 O ATOM 1844 CB LEU A 115 -1.106 -1.912 4.732 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.684 -0.792 5.596 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -3.161 -0.618 5.307 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.469 -1.087 7.071 1.00 0.80 C ATOM 0 H LEU A 115 0.567 -0.374 3.530 1.00 0.27 H new ATOM 0 HA LEU A 115 0.738 -2.232 5.804 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.407 -1.743 3.698 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.553 -2.856 5.044 1.00 0.44 H new ATOM 0 HG LEU A 115 -1.165 0.135 5.351 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.562 0.183 5.929 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -3.299 -0.365 4.256 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.687 -1.547 5.528 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.888 -0.277 7.669 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -1.963 -2.023 7.331 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.401 -1.172 7.273 1.00 0.80 H new ATOM 1859 N CYS A 116 1.855 -3.036 3.114 1.00 0.23 N ATOM 1860 CA CYS A 116 2.395 -4.093 2.286 1.00 0.24 C ATOM 1861 C CYS A 116 3.704 -4.578 2.885 1.00 0.24 C ATOM 1862 O CYS A 116 4.433 -3.804 3.505 1.00 0.37 O ATOM 1863 CB CYS A 116 2.610 -3.583 0.863 1.00 0.25 C ATOM 1864 SG CYS A 116 1.139 -2.825 0.139 1.00 0.28 S ATOM 0 H CYS A 116 2.324 -2.137 3.008 1.00 0.23 H new ATOM 0 HA CYS A 116 1.692 -4.925 2.248 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.421 -2.854 0.865 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.929 -4.413 0.232 1.00 0.25 H new ATOM 0 HG CYS A 116 0.545 -3.684 -0.635 1.00 0.28 H new ATOM 1870 N SER A 117 3.994 -5.854 2.734 1.00 0.22 N ATOM 1871 CA SER A 117 5.208 -6.406 3.292 1.00 0.25 C ATOM 1872 C SER A 117 5.840 -7.416 2.342 1.00 0.27 C ATOM 1873 O SER A 117 5.214 -8.390 1.941 1.00 0.35 O ATOM 1874 CB SER A 117 4.884 -7.015 4.655 1.00 0.27 C ATOM 1875 OG SER A 117 5.702 -8.130 4.952 1.00 0.34 O ATOM 0 H SER A 117 3.409 -6.523 2.233 1.00 0.22 H new ATOM 0 HA SER A 117 5.948 -5.617 3.428 1.00 0.25 H new ATOM 0 HB2 SER A 117 5.011 -6.258 5.428 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.837 -7.319 4.675 1.00 0.27 H new ATOM 0 HG SER A 117 5.699 -8.289 5.919 1.00 0.34 H new ATOM 1881 N ILE A 118 7.093 -7.168 2.004 1.00 0.23 N ATOM 1882 CA ILE A 118 7.826 -7.976 1.042 1.00 0.22 C ATOM 1883 C ILE A 118 8.178 -9.341 1.626 1.00 0.24 C ATOM 1884 O ILE A 118 8.688 -9.435 2.742 1.00 0.28 O ATOM 1885 CB ILE A 118 9.119 -7.244 0.612 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.769 -5.990 -0.190 1.00 0.41 C ATOM 1887 CG2 ILE A 118 10.041 -8.152 -0.184 1.00 0.25 C ATOM 1888 CD1 ILE A 118 9.977 -5.282 -0.762 1.00 0.50 C ATOM 0 H ILE A 118 7.635 -6.396 2.391 1.00 0.23 H new ATOM 0 HA ILE A 118 7.187 -8.128 0.172 1.00 0.22 H new ATOM 0 HB ILE A 118 9.655 -6.950 1.514 1.00 0.24 H new ATOM 0 HG12 ILE A 118 8.099 -6.265 -1.005 1.00 0.41 H new ATOM 0 HG13 ILE A 118 8.223 -5.299 0.452 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.938 -7.601 -0.468 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.320 -9.011 0.425 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.527 -8.496 -1.082 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.654 -4.402 -1.318 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.637 -4.976 0.049 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.512 -5.957 -1.430 1.00 0.50 H new ATOM 1900 N GLU A 119 7.889 -10.397 0.877 1.00 0.35 N ATOM 1901 CA GLU A 119 8.237 -11.739 1.310 1.00 0.49 C ATOM 1902 C GLU A 119 9.533 -12.187 0.631 1.00 0.52 C ATOM 1903 O GLU A 119 9.801 -11.843 -0.524 1.00 0.63 O ATOM 1904 CB GLU A 119 7.102 -12.726 1.014 1.00 0.72 C ATOM 1905 CG GLU A 119 7.363 -14.115 1.573 1.00 1.01 C ATOM 1906 CD GLU A 119 6.477 -15.185 0.967 1.00 1.60 C ATOM 1907 OE1 GLU A 119 6.839 -15.737 -0.094 1.00 2.30 O ATOM 1908 OE2 GLU A 119 5.394 -15.454 1.531 1.00 1.77 O ATOM 0 H GLU A 119 7.418 -10.349 -0.026 1.00 0.35 H new ATOM 0 HA GLU A 119 8.391 -11.724 2.389 1.00 0.49 H new ATOM 0 HB2 GLU A 119 6.173 -12.340 1.434 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.960 -12.795 -0.064 1.00 0.72 H new ATOM 0 HG2 GLU A 119 8.407 -14.378 1.400 1.00 1.01 H new ATOM 0 HG3 GLU A 119 7.213 -14.098 2.652 1.00 1.01 H new ATOM 1915 N GLU A 120 10.321 -12.959 1.371 1.00 0.67 N ATOM 1916 CA GLU A 120 11.658 -13.396 0.959 1.00 0.86 C ATOM 1917 C GLU A 120 11.664 -14.230 -0.324 1.00 1.01 C ATOM 1918 O GLU A 120 12.730 -14.481 -0.882 1.00 1.25 O ATOM 1919 CB GLU A 120 12.280 -14.229 2.074 1.00 1.16 C ATOM 1920 CG GLU A 120 11.486 -15.491 2.381 1.00 1.77 C ATOM 1921 CD GLU A 120 12.203 -16.414 3.332 1.00 2.40 C ATOM 1922 OE1 GLU A 120 12.967 -17.273 2.862 1.00 2.91 O ATOM 1923 OE2 GLU A 120 12.014 -16.279 4.555 1.00 2.64 O ATOM 0 H GLU A 120 10.048 -13.307 2.290 1.00 0.67 H new ATOM 0 HA GLU A 120 12.230 -12.490 0.760 1.00 0.86 H new ATOM 0 HB2 GLU A 120 13.296 -14.504 1.792 1.00 1.16 H new ATOM 0 HB3 GLU A 120 12.353 -13.623 2.977 1.00 1.16 H new ATOM 0 HG2 GLU A 120 10.522 -15.214 2.808 1.00 1.77 H new ATOM 0 HG3 GLU A 120 11.282 -16.022 1.451 1.00 1.77 H new