USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot 140:sc= 0.0976 USER MOD Set 1.2: A 74 GLN : amide:sc= -1.02 K(o=-1.2,f=-4.8!) USER MOD Set 1.3: A 80 THR OG1 : rot -170:sc= -0.264 USER MOD Single : A 1 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.3!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -130:sc= -0.454 (180deg=-1.57!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= -0.41 (180deg=-2.06!) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.185 USER MOD Single : A 14 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 17 CYS SG : rot 82:sc= 0.265 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= -0.385 (180deg=-1.56!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 36 THR OG1 : rot -49:sc= 0.998 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -1:sc= 1.1 USER MOD Single : A 53 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 171:sc= -0.97 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= 0.187 (180deg=-0.417) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 71 SER OG : rot 82:sc= 0.0157 USER MOD Single : A 75 LYS NZ :NH3+ -130:sc= -0.0977 (180deg=-1.66!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 92:sc= 0.211 USER MOD Single : A 81 SER OG : rot 23:sc= 0.815 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.095 -1.334 -1.185 1.00 0.00 N ATOM 2 CA GLN A 1 2.381 -0.089 -1.444 1.00 0.00 C ATOM 3 C GLN A 1 1.383 -0.261 -2.584 1.00 0.00 C ATOM 4 O GLN A 1 1.718 -0.795 -3.641 1.00 0.00 O ATOM 5 CB GLN A 1 3.370 1.029 -1.781 1.00 0.00 C ATOM 6 CG GLN A 1 2.976 2.381 -1.209 1.00 0.00 C ATOM 7 CD GLN A 1 3.567 2.628 0.165 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.407 1.863 0.639 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.129 3.701 0.813 1.00 0.00 N ATOM 0 H1 GLN A 1 3.768 -1.192 -0.405 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.415 -2.076 -0.924 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.612 -1.622 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 1 1.832 0.180 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.356 0.757 -1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.456 1.113 -2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.304 3.168 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.889 2.443 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.432 4.308 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.490 3.918 1.742 1.00 0.00 H new ATOM 18 N ARG A 2 0.154 0.193 -2.361 1.00 0.00 N ATOM 19 CA ARG A 2 -0.894 0.088 -3.368 1.00 0.00 C ATOM 20 C ARG A 2 -0.493 0.816 -4.648 1.00 0.00 C ATOM 21 O ARG A 2 -0.655 0.291 -5.749 1.00 0.00 O ATOM 22 CB ARG A 2 -2.207 0.663 -2.832 1.00 0.00 C ATOM 23 CG ARG A 2 -3.442 0.110 -3.524 1.00 0.00 C ATOM 24 CD ARG A 2 -4.666 0.968 -3.248 1.00 0.00 C ATOM 25 NE ARG A 2 -4.604 2.251 -3.944 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.556 3.174 -3.871 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.639 2.957 -3.137 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.427 4.316 -4.533 1.00 0.00 N ATOM 0 H ARG A 2 -0.140 0.637 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.036 -0.968 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.276 0.455 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.192 1.747 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.266 0.060 -4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.626 -0.909 -3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.562 0.431 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.753 1.141 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.784 2.449 -4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.742 2.080 -2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.369 3.667 -3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.596 4.486 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.159 5.024 -4.476 1.00 0.00 H new ATOM 42 N GLU A 3 0.030 2.029 -4.494 1.00 0.00 N ATOM 43 CA GLU A 3 0.453 2.829 -5.638 1.00 0.00 C ATOM 44 C GLU A 3 1.459 2.065 -6.493 1.00 0.00 C ATOM 45 O GLU A 3 1.460 2.179 -7.719 1.00 0.00 O ATOM 46 CB GLU A 3 1.065 4.149 -5.166 1.00 0.00 C ATOM 47 CG GLU A 3 2.344 3.975 -4.365 1.00 0.00 C ATOM 48 CD GLU A 3 2.558 5.089 -3.358 1.00 0.00 C ATOM 49 OE1 GLU A 3 1.780 5.166 -2.385 1.00 0.00 O ATOM 50 OE2 GLU A 3 3.504 5.883 -3.544 1.00 0.00 O ATOM 0 H GLU A 3 0.171 2.479 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.426 3.042 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.272 4.775 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.334 4.681 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.314 3.019 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.193 3.939 -5.047 1.00 0.00 H new ATOM 57 N GLU A 4 2.315 1.287 -5.838 1.00 0.00 N ATOM 58 CA GLU A 4 3.328 0.506 -6.538 1.00 0.00 C ATOM 59 C GLU A 4 2.682 -0.586 -7.386 1.00 0.00 C ATOM 60 O GLU A 4 3.075 -0.812 -8.530 1.00 0.00 O ATOM 61 CB GLU A 4 4.303 -0.119 -5.539 1.00 0.00 C ATOM 62 CG GLU A 4 5.432 0.812 -5.127 1.00 0.00 C ATOM 63 CD GLU A 4 6.454 1.013 -6.229 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.987 0.003 -6.734 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.721 2.180 -6.585 1.00 0.00 O ATOM 0 H GLU A 4 2.327 1.181 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 4 3.877 1.178 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.752 -0.425 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.729 -1.022 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.016 1.778 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.929 0.407 -4.245 1.00 0.00 H new ATOM 72 N MET A 5 1.689 -1.260 -6.816 1.00 0.00 N ATOM 73 CA MET A 5 0.988 -2.328 -7.519 1.00 0.00 C ATOM 74 C MET A 5 0.221 -1.778 -8.718 1.00 0.00 C ATOM 75 O MET A 5 0.244 -2.360 -9.802 1.00 0.00 O ATOM 76 CB MET A 5 0.028 -3.048 -6.571 1.00 0.00 C ATOM 77 CG MET A 5 0.730 -3.851 -5.488 1.00 0.00 C ATOM 78 SD MET A 5 -0.419 -4.568 -4.298 1.00 0.00 S ATOM 79 CE MET A 5 -0.019 -3.622 -2.830 1.00 0.00 C ATOM 0 H MET A 5 1.352 -1.086 -5.869 1.00 0.00 H new ATOM 0 HA MET A 5 1.731 -3.039 -7.881 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.625 -2.313 -6.101 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.610 -3.715 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 5 1.311 -4.648 -5.952 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.435 -3.207 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.146 -4.301 -1.993 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.885 -3.039 -3.008 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.844 -2.950 -2.594 1.00 0.00 H new ATOM 89 N VAL A 6 -0.458 -0.654 -8.515 1.00 0.00 N ATOM 90 CA VAL A 6 -1.232 -0.025 -9.579 1.00 0.00 C ATOM 91 C VAL A 6 -0.323 0.481 -10.693 1.00 0.00 C ATOM 92 O VAL A 6 -0.586 0.256 -11.875 1.00 0.00 O ATOM 93 CB VAL A 6 -2.072 1.149 -9.043 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.855 1.803 -10.171 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.005 0.676 -7.939 1.00 0.00 C ATOM 0 H VAL A 6 -0.488 -0.160 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.901 -0.788 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.397 1.894 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.443 2.631 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.163 2.179 -10.924 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.522 1.069 -10.624 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.591 1.519 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.675 -0.088 -8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.418 0.258 -7.121 1.00 0.00 H new ATOM 105 N LYS A 7 0.750 1.165 -10.310 1.00 0.00 N ATOM 106 CA LYS A 7 1.700 1.703 -11.275 1.00 0.00 C ATOM 107 C LYS A 7 2.377 0.580 -12.056 1.00 0.00 C ATOM 108 O LYS A 7 2.542 0.668 -13.273 1.00 0.00 O ATOM 109 CB LYS A 7 2.756 2.552 -10.564 1.00 0.00 C ATOM 110 CG LYS A 7 3.447 3.552 -11.475 1.00 0.00 C ATOM 111 CD LYS A 7 4.071 4.689 -10.683 1.00 0.00 C ATOM 112 CE LYS A 7 5.086 5.457 -11.515 1.00 0.00 C ATOM 113 NZ LYS A 7 5.226 6.867 -11.057 1.00 0.00 N ATOM 0 H LYS A 7 0.983 1.360 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 7 1.151 2.331 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.285 3.089 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.506 1.893 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.218 3.045 -12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.727 3.955 -12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.290 5.368 -10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.556 4.290 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.054 4.959 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.782 5.444 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.927 7.356 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.308 7.350 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.541 6.880 -10.066 1.00 0.00 H new ATOM 127 N LYS A 8 2.765 -0.475 -11.349 1.00 0.00 N ATOM 128 CA LYS A 8 3.421 -1.617 -11.975 1.00 0.00 C ATOM 129 C LYS A 8 2.473 -2.330 -12.934 1.00 0.00 C ATOM 130 O LYS A 8 2.843 -2.646 -14.066 1.00 0.00 O ATOM 131 CB LYS A 8 3.914 -2.597 -10.907 1.00 0.00 C ATOM 132 CG LYS A 8 4.557 -3.848 -11.480 1.00 0.00 C ATOM 133 CD LYS A 8 5.843 -3.524 -12.222 1.00 0.00 C ATOM 134 CE LYS A 8 6.981 -3.224 -11.259 1.00 0.00 C ATOM 135 NZ LYS A 8 7.042 -1.778 -10.906 1.00 0.00 N ATOM 0 H LYS A 8 2.637 -0.563 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 8 4.275 -1.247 -12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.634 -2.090 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.074 -2.887 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.768 -4.551 -10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.859 -4.339 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.117 -4.364 -12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.682 -2.666 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.854 -3.814 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.926 -3.529 -11.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.963 -1.389 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.282 -1.268 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.924 -1.666 -9.879 1.00 0.00 H new ATOM 149 N CYS A 9 1.251 -2.579 -12.476 1.00 0.00 N ATOM 150 CA CYS A 9 0.251 -3.254 -13.295 1.00 0.00 C ATOM 151 C CYS A 9 -0.007 -2.482 -14.585 1.00 0.00 C ATOM 152 O CYS A 9 0.032 -3.048 -15.678 1.00 0.00 O ATOM 153 CB CYS A 9 -1.054 -3.415 -12.513 1.00 0.00 C ATOM 154 SG CYS A 9 -2.416 -4.101 -13.484 1.00 0.00 S ATOM 0 H CYS A 9 0.929 -2.324 -11.542 1.00 0.00 H new ATOM 0 HA CYS A 9 0.635 -4.241 -13.554 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.873 -4.061 -11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.354 -2.442 -12.123 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.475 -4.201 -12.736 1.00 0.00 H new ATOM 160 N LEU A 10 -0.273 -1.187 -14.450 1.00 0.00 N ATOM 161 CA LEU A 10 -0.539 -0.337 -15.605 1.00 0.00 C ATOM 162 C LEU A 10 0.685 -0.249 -16.511 1.00 0.00 C ATOM 163 O LEU A 10 0.563 -0.202 -17.734 1.00 0.00 O ATOM 164 CB LEU A 10 -0.951 1.064 -15.148 1.00 0.00 C ATOM 165 CG LEU A 10 -1.878 1.832 -16.091 1.00 0.00 C ATOM 166 CD1 LEU A 10 -3.332 1.624 -15.698 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.530 3.314 -16.090 1.00 0.00 C ATOM 0 H LEU A 10 -0.310 -0.703 -13.553 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.356 -0.783 -16.172 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.442 0.978 -14.178 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.048 1.655 -14.997 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.738 1.446 -17.101 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.976 2.178 -16.381 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.575 0.563 -15.751 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.489 1.982 -14.680 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.199 3.845 -16.766 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.641 3.713 -15.082 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.500 3.446 -16.421 1.00 0.00 H new ATOM 179 N GLY A 11 1.866 -0.228 -15.900 1.00 0.00 N ATOM 180 CA GLY A 11 3.096 -0.149 -16.666 1.00 0.00 C ATOM 181 C GLY A 11 3.284 -1.338 -17.586 1.00 0.00 C ATOM 182 O GLY A 11 3.494 -1.175 -18.788 1.00 0.00 O ATOM 0 H GLY A 11 1.993 -0.264 -14.889 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.094 0.767 -17.257 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.943 -0.085 -15.982 1.00 0.00 H new ATOM 186 N GLU A 12 3.211 -2.539 -17.021 1.00 0.00 N ATOM 187 CA GLU A 12 3.378 -3.761 -17.799 1.00 0.00 C ATOM 188 C GLU A 12 2.224 -3.942 -18.781 1.00 0.00 C ATOM 189 O GLU A 12 2.427 -4.343 -19.928 1.00 0.00 O ATOM 190 CB GLU A 12 3.468 -4.975 -16.872 1.00 0.00 C ATOM 191 CG GLU A 12 4.864 -5.221 -16.325 1.00 0.00 C ATOM 192 CD GLU A 12 5.738 -6.004 -17.285 1.00 0.00 C ATOM 193 OE1 GLU A 12 5.213 -6.920 -17.952 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.946 -5.700 -17.370 1.00 0.00 O ATOM 0 H GLU A 12 3.037 -2.692 -16.028 1.00 0.00 H new ATOM 0 HA GLU A 12 4.305 -3.676 -18.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.779 -4.837 -16.038 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.138 -5.861 -17.414 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.338 -4.264 -16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.790 -5.763 -15.382 1.00 0.00 H new ATOM 201 N LEU A 13 1.013 -3.645 -18.323 1.00 0.00 N ATOM 202 CA LEU A 13 -0.174 -3.775 -19.160 1.00 0.00 C ATOM 203 C LEU A 13 -0.054 -2.915 -20.414 1.00 0.00 C ATOM 204 O LEU A 13 -0.385 -3.353 -21.516 1.00 0.00 O ATOM 205 CB LEU A 13 -1.424 -3.376 -18.372 1.00 0.00 C ATOM 206 CG LEU A 13 -2.161 -4.513 -17.663 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.343 -3.972 -16.874 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.622 -5.559 -18.667 1.00 0.00 C ATOM 0 H LEU A 13 0.827 -3.313 -17.377 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.261 -4.818 -19.464 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.138 -2.634 -17.626 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.120 -2.889 -19.055 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.471 -4.988 -16.966 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.856 -4.795 -16.376 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.988 -3.261 -16.128 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.034 -3.471 -17.552 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.144 -6.360 -18.144 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.295 -5.098 -19.390 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.757 -5.969 -19.188 1.00 0.00 H new ATOM 220 N THR A 14 0.425 -1.687 -20.239 1.00 0.00 N ATOM 221 CA THR A 14 0.591 -0.765 -21.356 1.00 0.00 C ATOM 222 C THR A 14 1.525 -1.343 -22.412 1.00 0.00 C ATOM 223 O THR A 14 1.291 -1.191 -23.610 1.00 0.00 O ATOM 224 CB THR A 14 1.145 0.593 -20.885 1.00 0.00 C ATOM 225 OG1 THR A 14 0.252 1.184 -19.934 1.00 0.00 O ATOM 226 CG2 THR A 14 1.335 1.537 -22.063 1.00 0.00 C ATOM 0 H THR A 14 0.705 -1.308 -19.334 1.00 0.00 H new ATOM 0 HA THR A 14 -0.397 -0.615 -21.792 1.00 0.00 H new ATOM 0 HB THR A 14 2.114 0.422 -20.416 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.307 0.696 -19.086 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.727 2.490 -21.706 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.037 1.098 -22.771 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.377 1.701 -22.556 1.00 0.00 H new ATOM 234 N GLU A 15 2.583 -2.008 -21.960 1.00 0.00 N ATOM 235 CA GLU A 15 3.553 -2.610 -22.868 1.00 0.00 C ATOM 236 C GLU A 15 2.933 -3.779 -23.628 1.00 0.00 C ATOM 237 O GLU A 15 3.042 -3.867 -24.851 1.00 0.00 O ATOM 238 CB GLU A 15 4.784 -3.085 -22.094 1.00 0.00 C ATOM 239 CG GLU A 15 5.614 -1.952 -21.515 1.00 0.00 C ATOM 240 CD GLU A 15 7.084 -2.303 -21.403 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.393 -3.480 -21.118 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.927 -1.403 -21.601 1.00 0.00 O ATOM 0 H GLU A 15 2.791 -2.144 -20.971 1.00 0.00 H new ATOM 0 HA GLU A 15 3.858 -1.851 -23.589 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.463 -3.740 -21.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.411 -3.682 -22.756 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.502 -1.068 -22.142 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.230 -1.693 -20.528 1.00 0.00 H new ATOM 249 N VAL A 16 2.283 -4.677 -22.894 1.00 0.00 N ATOM 250 CA VAL A 16 1.646 -5.841 -23.497 1.00 0.00 C ATOM 251 C VAL A 16 0.566 -5.424 -24.489 1.00 0.00 C ATOM 252 O VAL A 16 0.509 -5.930 -25.610 1.00 0.00 O ATOM 253 CB VAL A 16 1.020 -6.755 -22.428 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.334 -7.947 -23.079 1.00 0.00 C ATOM 255 CG2 VAL A 16 2.077 -7.215 -21.436 1.00 0.00 C ATOM 0 H VAL A 16 2.184 -4.620 -21.880 1.00 0.00 H new ATOM 0 HA VAL A 16 2.426 -6.391 -24.023 1.00 0.00 H new ATOM 0 HB VAL A 16 0.267 -6.185 -21.884 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.102 -8.582 -22.308 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.452 -7.594 -23.747 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.065 -8.520 -23.650 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.617 -7.860 -20.687 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.855 -7.768 -21.963 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.518 -6.347 -20.946 1.00 0.00 H new ATOM 265 N CYS A 17 -0.289 -4.497 -24.069 1.00 0.00 N ATOM 266 CA CYS A 17 -1.369 -4.011 -24.921 1.00 0.00 C ATOM 267 C CYS A 17 -0.815 -3.250 -26.120 1.00 0.00 C ATOM 268 O CYS A 17 -1.357 -3.326 -27.223 1.00 0.00 O ATOM 269 CB CYS A 17 -2.311 -3.111 -24.121 1.00 0.00 C ATOM 270 SG CYS A 17 -3.157 -3.950 -22.760 1.00 0.00 S ATOM 0 H CYS A 17 -0.255 -4.067 -23.144 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.926 -4.873 -25.287 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.741 -2.273 -23.719 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.058 -2.694 -24.796 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.366 -4.013 -21.730 1.00 0.00 H new ATOM 276 N LYS A 18 0.268 -2.513 -25.898 1.00 0.00 N ATOM 277 CA LYS A 18 0.897 -1.736 -26.959 1.00 0.00 C ATOM 278 C LYS A 18 1.419 -2.648 -28.065 1.00 0.00 C ATOM 279 O LYS A 18 1.189 -2.398 -29.249 1.00 0.00 O ATOM 280 CB LYS A 18 2.044 -0.896 -26.394 1.00 0.00 C ATOM 281 CG LYS A 18 2.839 -0.157 -27.456 1.00 0.00 C ATOM 282 CD LYS A 18 3.744 0.898 -26.843 1.00 0.00 C ATOM 283 CE LYS A 18 2.956 2.124 -26.408 1.00 0.00 C ATOM 284 NZ LYS A 18 2.659 3.028 -27.554 1.00 0.00 N ATOM 0 H LYS A 18 0.729 -2.438 -24.991 1.00 0.00 H new ATOM 0 HA LYS A 18 0.144 -1.072 -27.384 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.639 -0.172 -25.687 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.717 -1.546 -25.835 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.440 -0.868 -28.022 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.155 0.315 -28.161 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.266 0.476 -25.984 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.505 1.191 -27.566 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.022 1.809 -25.942 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.521 2.669 -25.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.121 3.851 -27.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.550 3.349 -27.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.098 2.516 -28.264 1.00 0.00 H new ATOM 298 N SER A 19 2.119 -3.707 -27.672 1.00 0.00 N ATOM 299 CA SER A 19 2.675 -4.655 -28.630 1.00 0.00 C ATOM 300 C SER A 19 1.564 -5.400 -29.364 1.00 0.00 C ATOM 301 O SER A 19 1.602 -5.551 -30.586 1.00 0.00 O ATOM 302 CB SER A 19 3.591 -5.653 -27.920 1.00 0.00 C ATOM 303 OG SER A 19 3.914 -6.742 -28.768 1.00 0.00 O ATOM 0 H SER A 19 2.315 -3.930 -26.696 1.00 0.00 H new ATOM 0 HA SER A 19 3.258 -4.095 -29.361 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.505 -5.151 -27.604 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.102 -6.023 -27.019 1.00 0.00 H new ATOM 0 HG SER A 19 4.502 -7.365 -28.291 1.00 0.00 H new ATOM 309 N LEU A 20 0.574 -5.865 -28.609 1.00 0.00 N ATOM 310 CA LEU A 20 -0.549 -6.596 -29.186 1.00 0.00 C ATOM 311 C LEU A 20 -1.361 -5.700 -30.116 1.00 0.00 C ATOM 312 O LEU A 20 -1.829 -6.140 -31.165 1.00 0.00 O ATOM 313 CB LEU A 20 -1.448 -7.147 -28.077 1.00 0.00 C ATOM 314 CG LEU A 20 -1.148 -8.574 -27.617 1.00 0.00 C ATOM 315 CD1 LEU A 20 0.173 -8.626 -26.865 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.280 -9.103 -26.749 1.00 0.00 C ATOM 0 H LEU A 20 0.526 -5.749 -27.597 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.150 -7.427 -29.768 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.374 -6.485 -27.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.481 -7.107 -28.421 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.065 -9.210 -28.498 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.370 -9.649 -26.545 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.977 -8.289 -27.519 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.120 -7.977 -25.991 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.050 -10.120 -26.431 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.395 -8.465 -25.872 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.208 -9.103 -27.321 1.00 0.00 H new ATOM 328 N GLY A 21 -1.522 -4.440 -29.724 1.00 0.00 N ATOM 329 CA GLY A 21 -2.276 -3.502 -30.535 1.00 0.00 C ATOM 330 C GLY A 21 -1.541 -3.109 -31.801 1.00 0.00 C ATOM 331 O GLY A 21 -2.156 -2.913 -32.850 1.00 0.00 O ATOM 0 H GLY A 21 -1.144 -4.052 -28.860 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.236 -3.945 -30.799 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.487 -2.608 -29.949 1.00 0.00 H new ATOM 335 N LYS A 22 -0.221 -2.992 -31.706 1.00 0.00 N ATOM 336 CA LYS A 22 0.599 -2.620 -32.852 1.00 0.00 C ATOM 337 C LYS A 22 0.630 -3.741 -33.886 1.00 0.00 C ATOM 338 O LYS A 22 0.450 -3.502 -35.080 1.00 0.00 O ATOM 339 CB LYS A 22 2.024 -2.290 -32.400 1.00 0.00 C ATOM 340 CG LYS A 22 2.204 -0.847 -31.962 1.00 0.00 C ATOM 341 CD LYS A 22 3.632 -0.373 -32.176 1.00 0.00 C ATOM 342 CE LYS A 22 3.850 0.112 -33.601 1.00 0.00 C ATOM 343 NZ LYS A 22 4.257 -0.996 -34.508 1.00 0.00 N ATOM 0 H LYS A 22 0.304 -3.150 -30.846 1.00 0.00 H new ATOM 0 HA LYS A 22 0.156 -1.737 -33.312 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.296 -2.948 -31.575 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.714 -2.502 -33.217 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.520 -0.208 -32.521 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.942 -0.750 -30.908 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.858 0.433 -31.478 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.323 -1.187 -31.958 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.933 0.568 -33.974 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.617 0.887 -33.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.015 -0.667 -35.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.601 -1.798 -33.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.440 -1.298 -35.076 1.00 0.00 H new ATOM 357 N VAL A 23 0.857 -4.965 -33.420 1.00 0.00 N ATOM 358 CA VAL A 23 0.908 -6.123 -34.304 1.00 0.00 C ATOM 359 C VAL A 23 -0.471 -6.445 -34.868 1.00 0.00 C ATOM 360 O VAL A 23 -0.607 -6.801 -36.038 1.00 0.00 O ATOM 361 CB VAL A 23 1.455 -7.363 -33.573 1.00 0.00 C ATOM 362 CG1 VAL A 23 2.900 -7.142 -33.153 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.587 -7.698 -32.369 1.00 0.00 C ATOM 0 H VAL A 23 1.009 -5.180 -32.435 1.00 0.00 H new ATOM 0 HA VAL A 23 1.581 -5.867 -35.123 1.00 0.00 H new ATOM 0 HB VAL A 23 1.427 -8.209 -34.260 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.269 -8.029 -32.638 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.511 -6.955 -34.036 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.957 -6.284 -32.484 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.988 -8.577 -31.864 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.581 -6.854 -31.679 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.431 -7.903 -32.700 1.00 0.00 H new ATOM 373 N PHE A 24 -1.492 -6.317 -34.027 1.00 0.00 N ATOM 374 CA PHE A 24 -2.862 -6.596 -34.441 1.00 0.00 C ATOM 375 C PHE A 24 -3.292 -5.658 -35.565 1.00 0.00 C ATOM 376 O PHE A 24 -4.233 -5.946 -36.303 1.00 0.00 O ATOM 377 CB PHE A 24 -3.815 -6.455 -33.252 1.00 0.00 C ATOM 378 CG PHE A 24 -5.235 -6.825 -33.575 1.00 0.00 C ATOM 379 CD1 PHE A 24 -5.529 -8.038 -34.177 1.00 0.00 C ATOM 380 CD2 PHE A 24 -6.275 -5.960 -33.276 1.00 0.00 C ATOM 381 CE1 PHE A 24 -6.834 -8.382 -34.474 1.00 0.00 C ATOM 382 CE2 PHE A 24 -7.582 -6.298 -33.571 1.00 0.00 C ATOM 383 CZ PHE A 24 -7.862 -7.510 -34.172 1.00 0.00 C ATOM 0 H PHE A 24 -1.397 -6.022 -33.055 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.902 -7.621 -34.811 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.461 -7.084 -32.436 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.788 -5.425 -32.895 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.729 -8.723 -34.417 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.062 -5.011 -32.807 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.050 -9.331 -34.942 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.384 -5.615 -33.332 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.883 -7.775 -34.405 1.00 0.00 H new ATOM 393 N GLY A 25 -2.594 -4.533 -35.688 1.00 0.00 N ATOM 394 CA GLY A 25 -2.918 -3.569 -36.724 1.00 0.00 C ATOM 395 C GLY A 25 -3.834 -2.469 -36.226 1.00 0.00 C ATOM 396 O GLY A 25 -4.731 -2.025 -36.943 1.00 0.00 O ATOM 0 H GLY A 25 -1.811 -4.272 -35.089 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.998 -3.126 -37.105 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.394 -4.084 -37.559 1.00 0.00 H new ATOM 400 N VAL A 26 -3.610 -2.027 -34.992 1.00 0.00 N ATOM 401 CA VAL A 26 -4.423 -0.972 -34.398 1.00 0.00 C ATOM 402 C VAL A 26 -3.575 -0.047 -33.532 1.00 0.00 C ATOM 403 O VAL A 26 -2.359 -0.211 -33.436 1.00 0.00 O ATOM 404 CB VAL A 26 -5.563 -1.557 -33.542 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.586 -2.257 -34.422 1.00 0.00 C ATOM 406 CG2 VAL A 26 -5.007 -2.510 -32.494 1.00 0.00 C ATOM 0 H VAL A 26 -2.872 -2.383 -34.384 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.853 -0.401 -35.221 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.064 -0.738 -33.026 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.383 -2.664 -33.800 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.006 -1.543 -35.130 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.103 -3.067 -34.968 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.826 -2.914 -31.899 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.480 -3.327 -32.988 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.316 -1.973 -31.844 1.00 0.00 H new ATOM 416 N HIS A 27 -4.226 0.927 -32.903 1.00 0.00 N ATOM 417 CA HIS A 27 -3.532 1.879 -32.044 1.00 0.00 C ATOM 418 C HIS A 27 -3.832 1.603 -30.573 1.00 0.00 C ATOM 419 O HIS A 27 -4.818 0.943 -30.244 1.00 0.00 O ATOM 420 CB HIS A 27 -3.938 3.309 -32.399 1.00 0.00 C ATOM 421 CG HIS A 27 -3.834 3.616 -33.861 1.00 0.00 C ATOM 422 ND1 HIS A 27 -2.702 4.149 -34.440 1.00 0.00 N ATOM 423 CD2 HIS A 27 -4.729 3.459 -34.865 1.00 0.00 C ATOM 424 CE1 HIS A 27 -2.906 4.309 -35.735 1.00 0.00 C ATOM 425 NE2 HIS A 27 -4.128 3.898 -36.019 1.00 0.00 N ATOM 0 H HIS A 27 -5.232 1.077 -32.972 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.460 1.763 -32.206 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.964 3.478 -32.073 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.309 4.005 -31.844 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.729 3.062 -34.775 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.194 4.708 -36.442 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.556 3.905 -36.945 1.00 0.00 H new ATOM 433 N TYR A 28 -2.975 2.110 -29.695 1.00 0.00 N ATOM 434 CA TYR A 28 -3.146 1.915 -28.260 1.00 0.00 C ATOM 435 C TYR A 28 -4.523 2.390 -27.806 1.00 0.00 C ATOM 436 O TYR A 28 -5.183 1.737 -26.997 1.00 0.00 O ATOM 437 CB TYR A 28 -2.057 2.662 -27.489 1.00 0.00 C ATOM 438 CG TYR A 28 -2.046 4.152 -27.746 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.356 4.685 -28.827 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.727 5.026 -26.908 1.00 0.00 C ATOM 441 CE1 TYR A 28 -1.343 6.046 -29.066 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.721 6.388 -27.140 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.027 6.893 -28.219 1.00 0.00 C ATOM 444 OH TYR A 28 -2.018 8.249 -28.454 1.00 0.00 O ATOM 0 H TYR A 28 -2.155 2.659 -29.951 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.062 0.848 -28.052 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.194 2.487 -26.422 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.085 2.248 -27.757 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.820 4.024 -29.492 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.270 4.634 -26.061 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.801 6.444 -29.911 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.257 7.054 -26.480 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.548 8.704 -27.767 1.00 0.00 H new ATOM 454 N PHE A 29 -4.951 3.532 -28.333 1.00 0.00 N ATOM 455 CA PHE A 29 -6.249 4.097 -27.984 1.00 0.00 C ATOM 456 C PHE A 29 -7.372 3.379 -28.726 1.00 0.00 C ATOM 457 O PHE A 29 -8.552 3.632 -28.485 1.00 0.00 O ATOM 458 CB PHE A 29 -6.283 5.592 -28.307 1.00 0.00 C ATOM 459 CG PHE A 29 -6.790 6.439 -27.176 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.049 6.583 -26.014 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.008 7.092 -27.274 1.00 0.00 C ATOM 462 CE1 PHE A 29 -6.514 7.361 -24.971 1.00 0.00 C ATOM 463 CE2 PHE A 29 -8.479 7.872 -26.234 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.730 8.007 -25.081 1.00 0.00 C ATOM 0 H PHE A 29 -4.417 4.085 -29.004 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.400 3.961 -26.913 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.279 5.921 -28.574 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.914 5.752 -29.181 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.097 6.081 -25.922 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.597 6.991 -28.174 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.927 7.464 -24.070 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.431 8.375 -26.323 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.094 8.616 -24.267 1.00 0.00 H new ATOM 474 N ASN A 30 -6.996 2.481 -29.632 1.00 0.00 N ATOM 475 CA ASN A 30 -7.971 1.727 -30.411 1.00 0.00 C ATOM 476 C ASN A 30 -8.308 0.405 -29.728 1.00 0.00 C ATOM 477 O ASN A 30 -9.278 -0.262 -30.089 1.00 0.00 O ATOM 478 CB ASN A 30 -7.435 1.464 -31.820 1.00 0.00 C ATOM 479 CG ASN A 30 -8.529 1.058 -32.788 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.139 1.903 -33.443 1.00 0.00 O ATOM 481 ND2 ASN A 30 -8.782 -0.242 -32.884 1.00 0.00 N ATOM 0 H ASN A 30 -6.023 2.258 -29.844 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.882 2.322 -30.481 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.940 2.362 -32.191 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.681 0.678 -31.778 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.507 -0.575 -33.520 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.252 -0.908 -32.322 1.00 0.00 H new ATOM 488 N ILE A 31 -7.501 0.034 -28.740 1.00 0.00 N ATOM 489 CA ILE A 31 -7.715 -1.207 -28.005 1.00 0.00 C ATOM 490 C ILE A 31 -8.089 -0.928 -26.553 1.00 0.00 C ATOM 491 O ILE A 31 -8.893 -1.648 -25.959 1.00 0.00 O ATOM 492 CB ILE A 31 -6.464 -2.104 -28.038 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.204 -1.268 -27.802 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.376 -2.842 -29.366 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.004 -2.088 -27.384 1.00 0.00 C ATOM 0 H ILE A 31 -6.693 0.574 -28.430 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.537 -1.727 -28.496 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.543 -2.842 -27.239 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.962 -0.725 -28.715 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.411 -0.523 -27.033 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.486 -3.472 -29.374 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.262 -3.464 -29.496 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.316 -2.120 -30.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.148 -1.430 -27.234 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.227 -2.611 -26.454 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.771 -2.815 -28.162 1.00 0.00 H new ATOM 507 N PHE A 32 -7.503 0.121 -25.988 1.00 0.00 N ATOM 508 CA PHE A 32 -7.775 0.496 -24.605 1.00 0.00 C ATOM 509 C PHE A 32 -7.730 2.012 -24.433 1.00 0.00 C ATOM 510 O PHE A 32 -6.937 2.697 -25.078 1.00 0.00 O ATOM 511 CB PHE A 32 -6.763 -0.165 -23.667 1.00 0.00 C ATOM 512 CG PHE A 32 -5.347 0.271 -23.909 1.00 0.00 C ATOM 513 CD1 PHE A 32 -4.891 1.489 -23.429 1.00 0.00 C ATOM 514 CD2 PHE A 32 -4.471 -0.536 -24.617 1.00 0.00 C ATOM 515 CE1 PHE A 32 -3.588 1.893 -23.650 1.00 0.00 C ATOM 516 CE2 PHE A 32 -3.167 -0.137 -24.840 1.00 0.00 C ATOM 517 CZ PHE A 32 -2.725 1.080 -24.357 1.00 0.00 C ATOM 0 H PHE A 32 -6.836 0.727 -26.466 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.777 0.149 -24.351 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.033 0.062 -22.636 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.826 -1.247 -23.782 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.562 2.130 -22.876 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.811 -1.487 -24.999 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.245 2.844 -23.270 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.493 -0.776 -25.392 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.707 1.394 -24.532 1.00 0.00 H new ATOM 527 N ASN A 33 -8.587 2.528 -23.559 1.00 0.00 N ATOM 528 CA ASN A 33 -8.646 3.963 -23.302 1.00 0.00 C ATOM 529 C ASN A 33 -8.148 4.285 -21.897 1.00 0.00 C ATOM 530 O ASN A 33 -7.881 3.386 -21.099 1.00 0.00 O ATOM 531 CB ASN A 33 -10.078 4.474 -23.478 1.00 0.00 C ATOM 532 CG ASN A 33 -10.622 4.204 -24.868 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.125 4.744 -25.856 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.648 3.366 -24.949 1.00 0.00 N ATOM 0 H ASN A 33 -9.250 1.975 -23.017 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.997 4.463 -24.021 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.724 3.999 -22.740 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.105 5.546 -23.282 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.057 3.146 -25.857 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.028 2.941 -24.103 1.00 0.00 H new ATOM 541 N THR A 34 -8.025 5.575 -21.600 1.00 0.00 N ATOM 542 CA THR A 34 -7.558 6.018 -20.292 1.00 0.00 C ATOM 543 C THR A 34 -8.444 5.471 -19.179 1.00 0.00 C ATOM 544 O THR A 34 -7.954 5.058 -18.128 1.00 0.00 O ATOM 545 CB THR A 34 -7.524 7.555 -20.198 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.694 8.109 -20.809 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.280 8.111 -20.876 1.00 0.00 C ATOM 0 H THR A 34 -8.243 6.332 -22.248 1.00 0.00 H new ATOM 0 HA THR A 34 -6.546 5.632 -20.170 1.00 0.00 H new ATOM 0 HB THR A 34 -7.499 7.832 -19.144 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.666 9.086 -20.744 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.278 9.198 -20.797 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.391 7.710 -20.390 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.279 7.824 -21.927 1.00 0.00 H new ATOM 555 N VAL A 35 -9.752 5.472 -19.416 1.00 0.00 N ATOM 556 CA VAL A 35 -10.708 4.974 -18.433 1.00 0.00 C ATOM 557 C VAL A 35 -10.516 3.482 -18.187 1.00 0.00 C ATOM 558 O VAL A 35 -10.450 3.033 -17.042 1.00 0.00 O ATOM 559 CB VAL A 35 -12.159 5.226 -18.883 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.137 4.785 -17.805 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.361 6.694 -19.230 1.00 0.00 C ATOM 0 H VAL A 35 -10.174 5.812 -20.280 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.523 5.519 -17.507 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.352 4.634 -19.778 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.157 4.971 -18.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.008 3.720 -17.610 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.948 5.347 -16.890 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.392 6.855 -19.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.150 7.307 -18.354 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.686 6.973 -20.039 1.00 0.00 H new ATOM 571 N THR A 36 -10.426 2.715 -19.270 1.00 0.00 N ATOM 572 CA THR A 36 -10.242 1.273 -19.172 1.00 0.00 C ATOM 573 C THR A 36 -8.993 0.931 -18.368 1.00 0.00 C ATOM 574 O THR A 36 -9.041 0.120 -17.442 1.00 0.00 O ATOM 575 CB THR A 36 -10.135 0.625 -20.565 1.00 0.00 C ATOM 576 OG1 THR A 36 -8.910 1.017 -21.195 1.00 0.00 O ATOM 577 CG2 THR A 36 -11.312 1.026 -21.441 1.00 0.00 C ATOM 0 H THR A 36 -10.478 3.069 -20.225 1.00 0.00 H new ATOM 0 HA THR A 36 -11.119 0.877 -18.661 1.00 0.00 H new ATOM 0 HB THR A 36 -10.149 -0.458 -20.439 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.808 1.990 -21.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.214 0.556 -22.420 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.241 0.700 -20.973 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.325 2.110 -21.559 1.00 0.00 H new ATOM 585 N LEU A 37 -7.876 1.554 -18.726 1.00 0.00 N ATOM 586 CA LEU A 37 -6.613 1.316 -18.036 1.00 0.00 C ATOM 587 C LEU A 37 -6.730 1.651 -16.553 1.00 0.00 C ATOM 588 O LEU A 37 -6.279 0.892 -15.695 1.00 0.00 O ATOM 589 CB LEU A 37 -5.497 2.147 -18.672 1.00 0.00 C ATOM 590 CG LEU A 37 -5.167 1.825 -20.129 1.00 0.00 C ATOM 591 CD1 LEU A 37 -3.934 2.593 -20.580 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.961 0.328 -20.311 1.00 0.00 C ATOM 0 H LEU A 37 -7.819 2.228 -19.490 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.370 0.258 -18.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.773 3.199 -18.607 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.592 2.018 -18.078 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.009 2.134 -20.749 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.715 2.351 -21.620 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.118 3.663 -20.488 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.084 2.316 -19.956 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.727 0.117 -21.354 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.137 -0.005 -19.680 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.871 -0.201 -20.029 1.00 0.00 H new ATOM 604 N LYS A 38 -7.342 2.793 -16.257 1.00 0.00 N ATOM 605 CA LYS A 38 -7.523 3.229 -14.877 1.00 0.00 C ATOM 606 C LYS A 38 -8.298 2.188 -14.075 1.00 0.00 C ATOM 607 O LYS A 38 -7.915 1.838 -12.958 1.00 0.00 O ATOM 608 CB LYS A 38 -8.259 4.570 -14.837 1.00 0.00 C ATOM 609 CG LYS A 38 -7.332 5.772 -14.810 1.00 0.00 C ATOM 610 CD LYS A 38 -6.894 6.108 -13.394 1.00 0.00 C ATOM 611 CE LYS A 38 -5.647 5.334 -12.998 1.00 0.00 C ATOM 612 NZ LYS A 38 -4.803 6.095 -12.036 1.00 0.00 N ATOM 0 H LYS A 38 -7.721 3.433 -16.955 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.537 3.349 -14.428 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.910 4.644 -15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.901 4.597 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.455 5.570 -15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.837 6.632 -15.249 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.699 7.178 -13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.701 5.880 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.937 4.382 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.064 5.104 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.963 5.533 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.505 6.992 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.351 6.292 -11.174 1.00 0.00 H new ATOM 626 N LYS A 39 -9.389 1.695 -14.651 1.00 0.00 N ATOM 627 CA LYS A 39 -10.216 0.692 -13.992 1.00 0.00 C ATOM 628 C LYS A 39 -9.487 -0.646 -13.910 1.00 0.00 C ATOM 629 O LYS A 39 -9.689 -1.417 -12.971 1.00 0.00 O ATOM 630 CB LYS A 39 -11.539 0.519 -14.742 1.00 0.00 C ATOM 631 CG LYS A 39 -12.472 1.710 -14.613 1.00 0.00 C ATOM 632 CD LYS A 39 -12.915 1.917 -13.174 1.00 0.00 C ATOM 633 CE LYS A 39 -13.892 3.077 -13.054 1.00 0.00 C ATOM 634 NZ LYS A 39 -13.212 4.393 -13.199 1.00 0.00 N ATOM 0 H LYS A 39 -9.721 1.974 -15.574 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.422 1.036 -12.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.329 0.346 -15.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.045 -0.371 -14.368 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.970 2.608 -14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.346 1.559 -15.246 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.383 1.006 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.044 2.107 -12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.664 2.981 -13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.392 3.032 -12.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.912 5.157 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.492 4.496 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.756 4.447 -14.132 1.00 0.00 H new ATOM 648 N LEU A 40 -8.640 -0.914 -14.897 1.00 0.00 N ATOM 649 CA LEU A 40 -7.879 -2.159 -14.935 1.00 0.00 C ATOM 650 C LEU A 40 -6.931 -2.254 -13.744 1.00 0.00 C ATOM 651 O LEU A 40 -6.994 -3.203 -12.962 1.00 0.00 O ATOM 652 CB LEU A 40 -7.088 -2.256 -16.241 1.00 0.00 C ATOM 653 CG LEU A 40 -7.645 -3.216 -17.293 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.127 -2.960 -17.517 1.00 0.00 C ATOM 655 CD2 LEU A 40 -6.875 -3.081 -18.598 1.00 0.00 C ATOM 0 H LEU A 40 -8.462 -0.287 -15.682 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.583 -2.989 -14.882 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.029 -1.261 -16.681 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.069 -2.561 -16.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.525 -4.236 -16.927 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.506 -3.652 -18.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.667 -3.108 -16.582 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.271 -1.936 -17.861 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.285 -3.771 -19.335 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.963 -2.060 -18.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.824 -3.315 -18.426 1.00 0.00 H new ATOM 667 N ALA A 41 -6.054 -1.264 -13.611 1.00 0.00 N ATOM 668 CA ALA A 41 -5.096 -1.234 -12.514 1.00 0.00 C ATOM 669 C ALA A 41 -5.799 -1.028 -11.176 1.00 0.00 C ATOM 670 O ALA A 41 -5.385 -1.577 -10.156 1.00 0.00 O ATOM 671 CB ALA A 41 -4.064 -0.140 -12.743 1.00 0.00 C ATOM 0 H ALA A 41 -5.988 -0.472 -14.250 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.587 -2.198 -12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.355 -0.130 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.531 -0.331 -13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.565 0.826 -12.803 1.00 0.00 H new ATOM 677 N GLU A 42 -6.865 -0.234 -11.190 1.00 0.00 N ATOM 678 CA GLU A 42 -7.624 0.045 -9.976 1.00 0.00 C ATOM 679 C GLU A 42 -8.206 -1.238 -9.391 1.00 0.00 C ATOM 680 O GLU A 42 -8.102 -1.488 -8.190 1.00 0.00 O ATOM 681 CB GLU A 42 -8.749 1.040 -10.270 1.00 0.00 C ATOM 682 CG GLU A 42 -8.318 2.494 -10.166 1.00 0.00 C ATOM 683 CD GLU A 42 -9.379 3.454 -10.669 1.00 0.00 C ATOM 684 OE1 GLU A 42 -10.550 3.037 -10.784 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.037 4.622 -10.946 1.00 0.00 O ATOM 0 H GLU A 42 -7.222 0.227 -12.027 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.944 0.481 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.134 0.855 -11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.570 0.863 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.086 2.727 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.401 2.639 -10.738 1.00 0.00 H new ATOM 692 N SER A 43 -8.818 -2.049 -10.249 1.00 0.00 N ATOM 693 CA SER A 43 -9.420 -3.305 -9.818 1.00 0.00 C ATOM 694 C SER A 43 -8.346 -4.325 -9.453 1.00 0.00 C ATOM 695 O SER A 43 -8.381 -4.924 -8.377 1.00 0.00 O ATOM 696 CB SER A 43 -10.321 -3.867 -10.918 1.00 0.00 C ATOM 697 OG SER A 43 -11.570 -3.198 -10.947 1.00 0.00 O ATOM 0 H SER A 43 -8.910 -1.858 -11.247 1.00 0.00 H new ATOM 0 HA SER A 43 -10.023 -3.105 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.827 -3.764 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.480 -4.933 -10.753 1.00 0.00 H new ATOM 0 HG SER A 43 -12.127 -3.575 -11.660 1.00 0.00 H new ATOM 703 N LEU A 44 -7.392 -4.518 -10.357 1.00 0.00 N ATOM 704 CA LEU A 44 -6.306 -5.466 -10.132 1.00 0.00 C ATOM 705 C LEU A 44 -6.847 -6.815 -9.671 1.00 0.00 C ATOM 706 O LEU A 44 -6.794 -7.145 -8.486 1.00 0.00 O ATOM 707 CB LEU A 44 -5.327 -4.915 -9.094 1.00 0.00 C ATOM 708 CG LEU A 44 -4.102 -4.186 -9.647 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.548 -3.215 -8.616 1.00 0.00 C ATOM 710 CD2 LEU A 44 -3.034 -5.185 -10.069 1.00 0.00 C ATOM 0 H LEU A 44 -7.348 -4.031 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.781 -5.609 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.868 -4.230 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.983 -5.742 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.407 -3.616 -10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.677 -2.706 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.311 -2.480 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.258 -3.763 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.169 -4.649 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.733 -5.781 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.435 -5.841 -10.842 1.00 0.00 H new ATOM 722 N SER A 45 -7.367 -7.593 -10.616 1.00 0.00 N ATOM 723 CA SER A 45 -7.920 -8.906 -10.306 1.00 0.00 C ATOM 724 C SER A 45 -8.071 -9.744 -11.572 1.00 0.00 C ATOM 725 O SER A 45 -8.545 -9.259 -12.599 1.00 0.00 O ATOM 726 CB SER A 45 -9.276 -8.762 -9.612 1.00 0.00 C ATOM 727 OG SER A 45 -9.124 -8.259 -8.296 1.00 0.00 O ATOM 0 H SER A 45 -7.417 -7.336 -11.602 1.00 0.00 H new ATOM 0 HA SER A 45 -7.228 -9.414 -9.634 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.914 -8.093 -10.189 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.776 -9.730 -9.579 1.00 0.00 H new ATOM 0 HG SER A 45 -8.172 -8.123 -8.106 1.00 0.00 H new ATOM 733 N SER A 46 -7.663 -11.007 -11.490 1.00 0.00 N ATOM 734 CA SER A 46 -7.748 -11.913 -12.629 1.00 0.00 C ATOM 735 C SER A 46 -9.202 -12.161 -13.018 1.00 0.00 C ATOM 736 O SER A 46 -9.514 -12.381 -14.189 1.00 0.00 O ATOM 737 CB SER A 46 -7.062 -13.241 -12.304 1.00 0.00 C ATOM 738 OG SER A 46 -6.458 -13.203 -11.022 1.00 0.00 O ATOM 0 H SER A 46 -7.270 -11.425 -10.647 1.00 0.00 H new ATOM 0 HA SER A 46 -7.239 -11.446 -13.472 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.792 -14.050 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.306 -13.458 -13.059 1.00 0.00 H new ATOM 0 HG SER A 46 -6.600 -14.060 -10.568 1.00 0.00 H new ATOM 744 N ASP A 47 -10.087 -12.125 -12.028 1.00 0.00 N ATOM 745 CA ASP A 47 -11.509 -12.345 -12.266 1.00 0.00 C ATOM 746 C ASP A 47 -11.990 -11.540 -13.469 1.00 0.00 C ATOM 747 O ASP A 47 -12.148 -10.321 -13.408 1.00 0.00 O ATOM 748 CB ASP A 47 -12.320 -11.965 -11.025 1.00 0.00 C ATOM 749 CG ASP A 47 -12.316 -13.058 -9.974 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.733 -14.191 -10.294 1.00 0.00 O ATOM 751 OD2 ASP A 47 -11.894 -12.780 -8.832 1.00 0.00 O ATOM 0 H ASP A 47 -9.845 -11.946 -11.053 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.657 -13.404 -12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.913 -11.050 -10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.348 -11.750 -11.318 1.00 0.00 H new ATOM 756 N PRO A 48 -12.229 -12.237 -14.590 1.00 0.00 N ATOM 757 CA PRO A 48 -12.695 -11.608 -15.829 1.00 0.00 C ATOM 758 C PRO A 48 -14.131 -11.104 -15.719 1.00 0.00 C ATOM 759 O PRO A 48 -14.627 -10.420 -16.613 1.00 0.00 O ATOM 760 CB PRO A 48 -12.602 -12.737 -16.858 1.00 0.00 C ATOM 761 CG PRO A 48 -12.713 -13.989 -16.057 1.00 0.00 C ATOM 762 CD PRO A 48 -12.063 -13.693 -14.734 1.00 0.00 C ATOM 0 HA PRO A 48 -12.104 -10.729 -16.087 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.401 -12.667 -17.596 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.659 -12.698 -17.404 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.756 -14.276 -15.924 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.216 -14.819 -16.559 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.544 -14.235 -13.920 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.011 -13.980 -14.730 1.00 0.00 H new ATOM 770 N GLU A 49 -14.791 -11.448 -14.618 1.00 0.00 N ATOM 771 CA GLU A 49 -16.170 -11.031 -14.393 1.00 0.00 C ATOM 772 C GLU A 49 -16.239 -9.546 -14.048 1.00 0.00 C ATOM 773 O GLU A 49 -17.041 -8.802 -14.614 1.00 0.00 O ATOM 774 CB GLU A 49 -16.799 -11.856 -13.269 1.00 0.00 C ATOM 775 CG GLU A 49 -16.790 -13.352 -13.534 1.00 0.00 C ATOM 776 CD GLU A 49 -17.669 -13.743 -14.706 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.907 -13.749 -14.543 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.119 -14.042 -15.786 1.00 0.00 O ATOM 0 H GLU A 49 -14.393 -12.014 -13.868 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.729 -11.200 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.264 -11.657 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.828 -11.528 -13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.768 -13.677 -13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.128 -13.877 -12.641 1.00 0.00 H new ATOM 785 N VAL A 50 -15.394 -9.121 -13.115 1.00 0.00 N ATOM 786 CA VAL A 50 -15.358 -7.725 -12.694 1.00 0.00 C ATOM 787 C VAL A 50 -14.870 -6.823 -13.822 1.00 0.00 C ATOM 788 O VAL A 50 -15.302 -5.677 -13.946 1.00 0.00 O ATOM 789 CB VAL A 50 -14.448 -7.532 -11.467 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.112 -8.089 -10.216 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.095 -8.188 -11.699 1.00 0.00 C ATOM 0 H VAL A 50 -14.725 -9.723 -12.636 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.378 -7.449 -12.427 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.288 -6.464 -11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.454 -7.944 -9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.054 -7.569 -10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.304 -9.154 -10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.465 -8.042 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.233 -9.255 -11.873 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.617 -7.738 -12.569 1.00 0.00 H new ATOM 801 N LEU A 51 -13.967 -7.348 -14.643 1.00 0.00 N ATOM 802 CA LEU A 51 -13.419 -6.591 -15.763 1.00 0.00 C ATOM 803 C LEU A 51 -14.487 -6.332 -16.820 1.00 0.00 C ATOM 804 O LEU A 51 -14.514 -5.270 -17.444 1.00 0.00 O ATOM 805 CB LEU A 51 -12.241 -7.343 -16.385 1.00 0.00 C ATOM 806 CG LEU A 51 -11.190 -7.871 -15.408 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.215 -8.794 -16.121 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.450 -6.718 -14.746 1.00 0.00 C ATOM 0 H LEU A 51 -13.599 -8.295 -14.554 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.069 -5.631 -15.384 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.634 -8.185 -16.955 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.747 -6.680 -17.095 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.698 -8.443 -14.632 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.474 -9.160 -15.410 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.758 -9.638 -16.546 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.713 -8.247 -16.919 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.706 -7.113 -14.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.954 -6.118 -15.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.159 -6.096 -14.200 1.00 0.00 H new ATOM 820 N LEU A 52 -15.368 -7.307 -17.015 1.00 0.00 N ATOM 821 CA LEU A 52 -16.441 -7.184 -17.995 1.00 0.00 C ATOM 822 C LEU A 52 -17.323 -5.979 -17.688 1.00 0.00 C ATOM 823 O LEU A 52 -17.987 -5.442 -18.575 1.00 0.00 O ATOM 824 CB LEU A 52 -17.288 -8.458 -18.015 1.00 0.00 C ATOM 825 CG LEU A 52 -17.629 -9.015 -19.398 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.330 -7.960 -20.240 1.00 0.00 C ATOM 827 CD2 LEU A 52 -16.372 -9.511 -20.099 1.00 0.00 C ATOM 0 H LEU A 52 -15.360 -8.192 -16.507 1.00 0.00 H new ATOM 0 HA LEU A 52 -15.989 -7.040 -18.976 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.761 -9.230 -17.454 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.220 -8.259 -17.485 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.307 -9.859 -19.271 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.565 -8.374 -21.221 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.252 -7.653 -19.745 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.677 -7.096 -20.358 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.634 -9.904 -21.081 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.670 -8.685 -20.214 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.911 -10.300 -19.504 1.00 0.00 H new ATOM 839 N GLN A 53 -17.323 -5.557 -16.428 1.00 0.00 N ATOM 840 CA GLN A 53 -18.122 -4.413 -16.005 1.00 0.00 C ATOM 841 C GLN A 53 -17.415 -3.103 -16.335 1.00 0.00 C ATOM 842 O GLN A 53 -17.936 -2.020 -16.065 1.00 0.00 O ATOM 843 CB GLN A 53 -18.406 -4.489 -14.504 1.00 0.00 C ATOM 844 CG GLN A 53 -17.404 -3.722 -13.656 1.00 0.00 C ATOM 845 CD GLN A 53 -17.226 -4.325 -12.276 1.00 0.00 C ATOM 846 OE1 GLN A 53 -18.065 -5.096 -11.810 1.00 0.00 O ATOM 847 NE2 GLN A 53 -16.129 -3.975 -11.614 1.00 0.00 N ATOM 0 H GLN A 53 -16.779 -5.990 -15.682 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.067 -4.441 -16.548 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -19.406 -4.100 -14.312 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.406 -5.534 -14.195 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.441 -3.702 -14.167 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -17.734 -2.688 -13.557 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.460 -3.333 -12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.955 -4.349 -10.681 1.00 0.00 H new ATOM 856 N ILE A 54 -16.227 -3.209 -16.920 1.00 0.00 N ATOM 857 CA ILE A 54 -15.449 -2.032 -17.288 1.00 0.00 C ATOM 858 C ILE A 54 -15.764 -1.587 -18.712 1.00 0.00 C ATOM 859 O ILE A 54 -15.594 -2.349 -19.663 1.00 0.00 O ATOM 860 CB ILE A 54 -13.937 -2.296 -17.167 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.587 -2.745 -15.747 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.149 -1.050 -17.544 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.136 -3.139 -15.578 1.00 0.00 C ATOM 0 H ILE A 54 -15.782 -4.098 -17.149 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.728 -1.240 -16.593 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.667 -3.095 -17.857 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.819 -1.938 -15.052 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.219 -3.591 -15.476 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.082 -1.253 -17.453 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.379 -0.771 -18.572 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.421 -0.232 -16.877 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.960 -3.446 -14.547 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.903 -3.967 -16.248 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.498 -2.288 -15.817 1.00 0.00 H new ATOM 875 N ASP A 55 -16.223 -0.348 -18.851 1.00 0.00 N ATOM 876 CA ASP A 55 -16.559 0.201 -20.159 1.00 0.00 C ATOM 877 C ASP A 55 -15.396 0.035 -21.133 1.00 0.00 C ATOM 878 O ASP A 55 -14.323 0.603 -20.936 1.00 0.00 O ATOM 879 CB ASP A 55 -16.931 1.679 -20.036 1.00 0.00 C ATOM 880 CG ASP A 55 -18.370 1.880 -19.606 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.168 0.928 -19.738 1.00 0.00 O ATOM 882 OD2 ASP A 55 -18.700 2.990 -19.137 1.00 0.00 O ATOM 0 H ASP A 55 -16.371 0.295 -18.073 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.416 -0.349 -20.547 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.269 2.158 -19.315 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.769 2.172 -20.994 1.00 0.00 H new ATOM 887 N GLY A 56 -15.618 -0.748 -22.184 1.00 0.00 N ATOM 888 CA GLY A 56 -14.580 -0.976 -23.172 1.00 0.00 C ATOM 889 C GLY A 56 -13.942 -2.344 -23.038 1.00 0.00 C ATOM 890 O GLY A 56 -12.719 -2.476 -23.104 1.00 0.00 O ATOM 0 H GLY A 56 -16.498 -1.229 -22.369 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.004 -0.873 -24.171 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.812 -0.209 -23.071 1.00 0.00 H new ATOM 894 N VAL A 57 -14.770 -3.366 -22.848 1.00 0.00 N ATOM 895 CA VAL A 57 -14.280 -4.731 -22.703 1.00 0.00 C ATOM 896 C VAL A 57 -15.209 -5.725 -23.391 1.00 0.00 C ATOM 897 O VAL A 57 -16.428 -5.674 -23.220 1.00 0.00 O ATOM 898 CB VAL A 57 -14.136 -5.122 -21.220 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.618 -6.546 -21.091 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.220 -4.145 -20.499 1.00 0.00 C ATOM 0 H VAL A 57 -15.784 -3.274 -22.791 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.299 -4.766 -23.177 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.119 -5.075 -20.752 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.523 -6.804 -20.036 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.316 -7.232 -21.571 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.643 -6.624 -21.573 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.129 -4.436 -19.452 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.235 -4.157 -20.966 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.638 -3.140 -20.561 1.00 0.00 H new ATOM 910 N THR A 58 -14.626 -6.630 -24.170 1.00 0.00 N ATOM 911 CA THR A 58 -15.401 -7.636 -24.885 1.00 0.00 C ATOM 912 C THR A 58 -14.732 -9.003 -24.809 1.00 0.00 C ATOM 913 O THR A 58 -13.591 -9.121 -24.362 1.00 0.00 O ATOM 914 CB THR A 58 -15.591 -7.252 -26.365 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.497 -5.832 -26.518 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.939 -7.735 -26.881 1.00 0.00 C ATOM 0 H THR A 58 -13.619 -6.687 -24.322 1.00 0.00 H new ATOM 0 HA THR A 58 -16.377 -7.685 -24.401 1.00 0.00 H new ATOM 0 HB THR A 58 -14.804 -7.733 -26.946 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.473 -5.607 -27.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.050 -7.452 -27.928 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.996 -8.820 -26.790 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.737 -7.279 -26.295 1.00 0.00 H new ATOM 924 N GLU A 59 -15.447 -10.034 -25.249 1.00 0.00 N ATOM 925 CA GLU A 59 -14.920 -11.393 -25.230 1.00 0.00 C ATOM 926 C GLU A 59 -13.649 -11.496 -26.068 1.00 0.00 C ATOM 927 O GLU A 59 -12.660 -12.093 -25.644 1.00 0.00 O ATOM 928 CB GLU A 59 -15.969 -12.378 -25.751 1.00 0.00 C ATOM 929 CG GLU A 59 -15.765 -13.801 -25.259 1.00 0.00 C ATOM 930 CD GLU A 59 -16.970 -14.685 -25.516 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.039 -14.418 -24.928 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.844 -15.645 -26.305 1.00 0.00 O ATOM 0 H GLU A 59 -16.393 -9.954 -25.623 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.675 -11.646 -24.198 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.959 -12.036 -25.448 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.950 -12.373 -26.841 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.892 -14.230 -25.751 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.552 -13.785 -24.190 1.00 0.00 H new ATOM 939 N ASP A 60 -13.685 -10.910 -27.260 1.00 0.00 N ATOM 940 CA ASP A 60 -12.536 -10.934 -28.158 1.00 0.00 C ATOM 941 C ASP A 60 -11.384 -10.112 -27.589 1.00 0.00 C ATOM 942 O ASP A 60 -10.225 -10.523 -27.648 1.00 0.00 O ATOM 943 CB ASP A 60 -12.929 -10.400 -29.536 1.00 0.00 C ATOM 944 CG ASP A 60 -11.745 -10.300 -30.477 1.00 0.00 C ATOM 945 OD1 ASP A 60 -11.404 -11.320 -31.113 1.00 0.00 O ATOM 946 OD2 ASP A 60 -11.159 -9.202 -30.579 1.00 0.00 O ATOM 0 H ASP A 60 -14.497 -10.413 -27.627 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.205 -11.968 -28.258 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.683 -11.053 -29.974 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.385 -9.416 -29.425 1.00 0.00 H new ATOM 951 N LYS A 61 -11.710 -8.947 -27.040 1.00 0.00 N ATOM 952 CA LYS A 61 -10.703 -8.066 -26.460 1.00 0.00 C ATOM 953 C LYS A 61 -10.000 -8.741 -25.286 1.00 0.00 C ATOM 954 O LYS A 61 -8.771 -8.782 -25.227 1.00 0.00 O ATOM 955 CB LYS A 61 -11.347 -6.757 -25.998 1.00 0.00 C ATOM 956 CG LYS A 61 -12.244 -6.118 -27.043 1.00 0.00 C ATOM 957 CD LYS A 61 -12.794 -4.784 -26.567 1.00 0.00 C ATOM 958 CE LYS A 61 -11.779 -3.666 -26.747 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.437 -2.342 -26.923 1.00 0.00 N ATOM 0 H LYS A 61 -12.664 -8.591 -26.984 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.961 -7.848 -27.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.931 -6.947 -25.098 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.562 -6.052 -25.725 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.682 -5.972 -27.966 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.070 -6.791 -27.275 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.702 -4.545 -27.121 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.072 -4.858 -25.516 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.120 -3.631 -25.880 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.154 -3.879 -27.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.711 -1.607 -27.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.047 -2.367 -27.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.013 -2.126 -26.084 1.00 0.00 H new ATOM 973 N LEU A 62 -10.787 -9.270 -24.356 1.00 0.00 N ATOM 974 CA LEU A 62 -10.240 -9.945 -23.185 1.00 0.00 C ATOM 975 C LEU A 62 -9.556 -11.250 -23.578 1.00 0.00 C ATOM 976 O LEU A 62 -8.651 -11.719 -22.889 1.00 0.00 O ATOM 977 CB LEU A 62 -11.348 -10.223 -22.168 1.00 0.00 C ATOM 978 CG LEU A 62 -12.424 -11.219 -22.603 1.00 0.00 C ATOM 979 CD1 LEU A 62 -11.975 -12.645 -22.325 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.740 -10.925 -21.898 1.00 0.00 C ATOM 0 H LEU A 62 -11.806 -9.244 -24.390 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.496 -9.289 -22.733 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.888 -10.593 -21.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.833 -9.279 -21.922 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.579 -11.111 -23.677 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.753 -13.340 -22.641 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.058 -12.852 -22.877 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.791 -12.767 -21.258 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.494 -11.644 -22.220 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.601 -11.004 -20.820 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.070 -9.917 -22.149 1.00 0.00 H new ATOM 992 N GLU A 63 -9.994 -11.829 -24.692 1.00 0.00 N ATOM 993 CA GLU A 63 -9.422 -13.080 -25.177 1.00 0.00 C ATOM 994 C GLU A 63 -8.042 -12.847 -25.785 1.00 0.00 C ATOM 995 O GLU A 63 -7.161 -13.703 -25.701 1.00 0.00 O ATOM 996 CB GLU A 63 -10.347 -13.721 -26.214 1.00 0.00 C ATOM 997 CG GLU A 63 -11.369 -14.672 -25.613 1.00 0.00 C ATOM 998 CD GLU A 63 -10.726 -15.868 -24.938 1.00 0.00 C ATOM 999 OE1 GLU A 63 -10.037 -16.642 -25.635 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -10.912 -16.030 -23.714 1.00 0.00 O ATOM 0 H GLU A 63 -10.742 -11.452 -25.275 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.317 -13.755 -24.328 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.871 -12.934 -26.757 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.743 -14.263 -26.942 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.978 -14.134 -24.887 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.041 -15.020 -26.397 1.00 0.00 H new ATOM 1007 N LYS A 64 -7.861 -11.683 -26.399 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.590 -11.335 -27.022 1.00 0.00 C ATOM 1009 C LYS A 64 -5.659 -10.659 -26.020 1.00 0.00 C ATOM 1010 O LYS A 64 -4.510 -11.068 -25.852 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.821 -10.412 -28.221 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.367 -11.129 -29.444 1.00 0.00 C ATOM 1013 CD LYS A 64 -7.850 -10.146 -30.497 1.00 0.00 C ATOM 1014 CE LYS A 64 -6.715 -9.268 -31.003 1.00 0.00 C ATOM 1015 NZ LYS A 64 -5.560 -10.077 -31.482 1.00 0.00 N ATOM 0 H LYS A 64 -8.580 -10.964 -26.478 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.119 -12.256 -27.365 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.515 -9.623 -27.933 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.880 -9.929 -28.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.592 -11.767 -29.869 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.190 -11.780 -29.148 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.289 -10.692 -31.332 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.637 -9.519 -30.077 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.078 -8.637 -31.814 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.386 -8.603 -30.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.127 -9.611 -32.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.856 -10.161 -30.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.889 -11.025 -31.755 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.164 -9.626 -25.355 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.377 -8.894 -24.369 1.00 0.00 C ATOM 1031 C TYR A 65 -5.682 -9.383 -22.957 1.00 0.00 C ATOM 1032 O TYR A 65 -4.777 -9.723 -22.197 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.659 -7.394 -24.474 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.225 -6.976 -25.812 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.511 -7.182 -26.986 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.474 -6.374 -25.902 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.024 -6.801 -28.210 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.995 -5.991 -27.123 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.266 -6.206 -28.274 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.782 -5.825 -29.491 1.00 0.00 O ATOM 0 H TYR A 65 -7.114 -9.277 -25.480 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.322 -9.074 -24.576 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.358 -7.109 -23.688 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.735 -6.846 -24.293 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.538 -7.648 -26.940 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.047 -6.203 -25.003 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.455 -6.968 -29.113 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.968 -5.526 -27.176 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.666 -5.423 -29.360 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.966 -9.415 -22.613 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.370 -9.864 -21.293 1.00 0.00 C ATOM 1052 C GLY A 66 -6.585 -11.074 -20.828 1.00 0.00 C ATOM 1053 O GLY A 66 -6.285 -11.210 -19.642 1.00 0.00 O ATOM 0 H GLY A 66 -7.734 -9.138 -23.225 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.236 -9.051 -20.579 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.433 -10.106 -21.304 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.253 -11.958 -21.763 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.498 -13.163 -21.442 1.00 0.00 C ATOM 1059 C ALA A 67 -4.254 -12.831 -20.626 1.00 0.00 C ATOM 1060 O ALA A 67 -4.067 -13.346 -19.525 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.115 -13.901 -22.717 1.00 0.00 C ATOM 0 H ALA A 67 -6.495 -11.862 -22.749 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.134 -13.810 -20.838 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.552 -14.799 -22.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.017 -14.181 -23.261 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.501 -13.253 -23.342 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.405 -11.967 -21.175 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.177 -11.568 -20.498 1.00 0.00 C ATOM 1069 C GLU A 68 -2.487 -10.867 -19.178 1.00 0.00 C ATOM 1070 O GLU A 68 -1.761 -11.018 -18.196 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.349 -10.647 -21.396 1.00 0.00 C ATOM 1072 CG GLU A 68 -0.508 -11.390 -22.420 1.00 0.00 C ATOM 1073 CD GLU A 68 0.607 -12.197 -21.785 1.00 0.00 C ATOM 1074 OE1 GLU A 68 1.330 -11.641 -20.932 1.00 0.00 O ATOM 1075 OE2 GLU A 68 0.756 -13.384 -22.142 1.00 0.00 O ATOM 0 H GLU A 68 -3.545 -11.531 -22.086 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.601 -12.468 -20.285 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.019 -9.963 -21.916 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.694 -10.039 -20.773 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.150 -12.056 -22.997 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.079 -10.674 -23.121 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.571 -10.097 -19.165 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.979 -9.372 -17.967 1.00 0.00 C ATOM 1084 C VAL A 69 -4.314 -10.332 -16.831 1.00 0.00 C ATOM 1085 O VAL A 69 -3.839 -10.168 -15.707 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.200 -8.474 -18.243 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.461 -7.551 -17.063 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.995 -7.675 -19.521 1.00 0.00 C ATOM 0 H VAL A 69 -4.182 -9.959 -19.970 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.136 -8.746 -17.673 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.075 -9.110 -18.376 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.327 -6.924 -17.276 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.655 -8.147 -16.171 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.589 -6.920 -16.895 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.867 -7.046 -19.701 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.110 -7.047 -19.420 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.861 -8.358 -20.360 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.133 -11.333 -17.132 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.530 -12.320 -16.136 1.00 0.00 C ATOM 1100 C ILE A 70 -4.331 -13.133 -15.659 1.00 0.00 C ATOM 1101 O ILE A 70 -4.178 -13.390 -14.465 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.599 -13.281 -16.690 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.861 -12.506 -17.076 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -6.924 -14.359 -15.667 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.994 -13.393 -17.544 1.00 0.00 C ATOM 0 H ILE A 70 -5.535 -11.482 -18.058 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.950 -11.768 -15.295 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.204 -13.764 -17.584 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.197 -11.923 -16.218 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.615 -11.797 -17.866 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.681 -15.030 -16.073 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.022 -14.926 -15.437 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.302 -13.894 -14.756 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.856 -12.777 -17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.676 -13.957 -18.421 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.267 -14.085 -16.747 1.00 0.00 H new ATOM 1117 N SER A 71 -3.482 -13.533 -16.600 1.00 0.00 N ATOM 1118 CA SER A 71 -2.297 -14.319 -16.276 1.00 0.00 C ATOM 1119 C SER A 71 -1.405 -13.573 -15.288 1.00 0.00 C ATOM 1120 O SER A 71 -0.935 -14.145 -14.304 1.00 0.00 O ATOM 1121 CB SER A 71 -1.510 -14.642 -17.548 1.00 0.00 C ATOM 1122 OG SER A 71 -2.163 -15.641 -18.311 1.00 0.00 O ATOM 0 H SER A 71 -3.592 -13.326 -17.593 1.00 0.00 H new ATOM 0 HA SER A 71 -2.624 -15.250 -15.813 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.395 -13.739 -18.148 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.508 -14.979 -17.284 1.00 0.00 H new ATOM 0 HG SER A 71 -2.873 -15.231 -18.848 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.175 -12.292 -15.558 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.340 -11.466 -14.693 1.00 0.00 C ATOM 1130 C VAL A 72 -0.974 -11.297 -13.317 1.00 0.00 C ATOM 1131 O VAL A 72 -0.320 -11.492 -12.292 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.097 -10.076 -15.310 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.744 -9.218 -14.377 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.567 -10.206 -16.672 1.00 0.00 C ATOM 0 H VAL A 72 -1.555 -11.803 -16.369 1.00 0.00 H new ATOM 0 HA VAL A 72 0.615 -11.980 -14.588 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.060 -9.585 -15.447 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.906 -8.240 -14.829 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.224 -9.097 -13.427 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.706 -9.702 -14.206 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.731 -9.214 -17.093 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.524 -10.717 -16.563 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.077 -10.781 -17.338 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.251 -10.932 -13.301 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.975 -10.736 -12.049 1.00 0.00 C ATOM 1146 C LEU A 73 -3.013 -12.025 -11.235 1.00 0.00 C ATOM 1147 O LEU A 73 -3.065 -11.991 -10.006 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.399 -10.255 -12.331 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.525 -8.888 -13.005 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.807 -8.810 -13.819 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.482 -7.776 -11.967 1.00 0.00 C ATOM 0 H LEU A 73 -2.807 -10.766 -14.140 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.450 -9.977 -11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.893 -10.995 -12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.944 -10.224 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.681 -8.759 -13.682 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.879 -7.830 -14.291 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.798 -9.583 -14.587 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.664 -8.961 -13.163 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.573 -6.810 -12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.306 -7.902 -11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.536 -7.818 -11.427 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.984 -13.158 -11.929 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.014 -14.458 -11.269 1.00 0.00 C ATOM 1165 C GLN A 74 -1.679 -14.757 -10.595 1.00 0.00 C ATOM 1166 O GLN A 74 -1.623 -15.023 -9.394 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.348 -15.558 -12.278 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.779 -16.062 -12.178 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.140 -16.519 -10.778 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.265 -16.792 -9.956 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.436 -16.604 -10.499 1.00 0.00 N ATOM 0 H GLN A 74 -2.940 -13.202 -12.947 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.789 -14.431 -10.503 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.174 -15.180 -13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.666 -16.395 -12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.462 -15.270 -12.485 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.918 -16.890 -12.874 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.127 -16.368 -11.211 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.740 -16.905 -9.573 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.605 -14.713 -11.376 1.00 0.00 N ATOM 1181 CA LYS A 75 0.731 -14.979 -10.857 1.00 0.00 C ATOM 1182 C LYS A 75 1.066 -14.032 -9.708 1.00 0.00 C ATOM 1183 O LYS A 75 1.732 -14.419 -8.747 1.00 0.00 O ATOM 1184 CB LYS A 75 1.771 -14.836 -11.970 1.00 0.00 C ATOM 1185 CG LYS A 75 1.780 -13.464 -12.622 1.00 0.00 C ATOM 1186 CD LYS A 75 2.885 -13.346 -13.658 1.00 0.00 C ATOM 1187 CE LYS A 75 2.477 -13.974 -14.982 1.00 0.00 C ATOM 1188 NZ LYS A 75 2.722 -13.057 -16.130 1.00 0.00 N ATOM 0 H LYS A 75 -0.634 -14.495 -12.372 1.00 0.00 H new ATOM 0 HA LYS A 75 0.751 -16.001 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.760 -15.041 -11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.580 -15.590 -12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.816 -13.279 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.913 -12.698 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.130 -12.295 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.787 -13.832 -13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.033 -14.900 -15.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.420 -14.239 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.864 -12.996 -16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.965 -12.111 -15.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.508 -13.423 -16.705 1.00 0.00 H new ATOM 1202 N TYR A 76 0.601 -12.793 -9.815 1.00 0.00 N ATOM 1203 CA TYR A 76 0.852 -11.791 -8.785 1.00 0.00 C ATOM 1204 C TYR A 76 -0.021 -12.040 -7.559 1.00 0.00 C ATOM 1205 O TYR A 76 0.344 -11.679 -6.440 1.00 0.00 O ATOM 1206 CB TYR A 76 0.591 -10.388 -9.335 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.293 -9.544 -8.445 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.237 -8.848 -7.365 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.657 -9.441 -8.685 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -0.567 -8.076 -6.549 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -2.469 -8.670 -7.875 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.919 -7.990 -6.808 1.00 0.00 C ATOM 1213 OH TYR A 76 -2.723 -7.221 -5.999 1.00 0.00 O ATOM 0 H TYR A 76 0.048 -12.458 -10.604 1.00 0.00 H new ATOM 0 HA TYR A 76 1.897 -11.868 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.544 -9.878 -9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.128 -10.473 -10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.295 -8.912 -7.160 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.091 -9.973 -9.519 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.139 -7.543 -5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.528 -8.600 -8.076 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.648 -7.267 -6.319 1.00 0.00 H new ATOM 1223 N SER A 77 -1.177 -12.658 -7.779 1.00 0.00 N ATOM 1224 CA SER A 77 -2.104 -12.953 -6.693 1.00 0.00 C ATOM 1225 C SER A 77 -1.614 -14.137 -5.865 1.00 0.00 C ATOM 1226 O SER A 77 -1.913 -14.242 -4.676 1.00 0.00 O ATOM 1227 CB SER A 77 -3.498 -13.249 -7.251 1.00 0.00 C ATOM 1228 OG SER A 77 -4.282 -12.070 -7.317 1.00 0.00 O ATOM 0 H SER A 77 -1.494 -12.964 -8.699 1.00 0.00 H new ATOM 0 HA SER A 77 -2.157 -12.077 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.410 -13.687 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.996 -13.986 -6.621 1.00 0.00 H new ATOM 0 HG SER A 77 -4.173 -11.653 -8.197 1.00 0.00 H new ATOM 1234 N GLU A 78 -0.858 -15.025 -6.504 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.327 -16.202 -5.826 1.00 0.00 C ATOM 1236 C GLU A 78 -1.455 -17.074 -5.284 1.00 0.00 C ATOM 1237 O GLU A 78 -1.426 -17.498 -4.129 1.00 0.00 O ATOM 1238 CB GLU A 78 0.604 -15.784 -4.686 1.00 0.00 C ATOM 1239 CG GLU A 78 1.703 -16.793 -4.397 1.00 0.00 C ATOM 1240 CD GLU A 78 2.141 -16.779 -2.945 1.00 0.00 C ATOM 1241 OE1 GLU A 78 2.316 -15.675 -2.388 1.00 0.00 O ATOM 1242 OE2 GLU A 78 2.308 -17.872 -2.366 1.00 0.00 O ATOM 0 H GLU A 78 -0.600 -14.952 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 78 0.239 -16.784 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.059 -14.825 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.013 -15.634 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.352 -17.792 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.562 -16.581 -5.034 1.00 0.00 H new ATOM 1249 N TRP A 79 -2.449 -17.336 -6.126 1.00 0.00 N ATOM 1250 CA TRP A 79 -3.588 -18.156 -5.731 1.00 0.00 C ATOM 1251 C TRP A 79 -3.709 -19.385 -6.625 1.00 0.00 C ATOM 1252 O TRP A 79 -3.629 -20.520 -6.153 1.00 0.00 O ATOM 1253 CB TRP A 79 -4.878 -17.337 -5.791 1.00 0.00 C ATOM 1254 CG TRP A 79 -6.106 -18.138 -5.476 1.00 0.00 C ATOM 1255 CD1 TRP A 79 -6.924 -18.768 -6.369 1.00 0.00 C ATOM 1256 CD2 TRP A 79 -6.654 -18.391 -4.178 1.00 0.00 C ATOM 1257 NE1 TRP A 79 -7.948 -19.399 -5.704 1.00 0.00 N ATOM 1258 CE2 TRP A 79 -7.805 -19.183 -4.359 1.00 0.00 C ATOM 1259 CE3 TRP A 79 -6.284 -18.028 -2.881 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 -8.586 -19.615 -3.291 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 -7.061 -18.457 -1.821 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -8.200 -19.244 -2.031 1.00 0.00 C ATOM 0 H TRP A 79 -2.489 -16.993 -7.086 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.426 -18.490 -4.706 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.805 -16.506 -5.089 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.980 -16.906 -6.787 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.787 -18.770 -7.440 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -8.694 -19.940 -6.141 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -5.406 -17.423 -2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -9.465 -20.221 -3.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.785 -18.181 -0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.786 -19.565 -1.182 1.00 0.00 H new ATOM 1273 N THR A 80 -3.904 -19.153 -7.920 1.00 0.00 N ATOM 1274 CA THR A 80 -4.038 -20.242 -8.879 1.00 0.00 C ATOM 1275 C THR A 80 -2.675 -20.688 -9.397 1.00 0.00 C ATOM 1276 O THR A 80 -1.889 -19.876 -9.885 1.00 0.00 O ATOM 1277 CB THR A 80 -4.919 -19.832 -10.074 1.00 0.00 C ATOM 1278 OG1 THR A 80 -6.142 -19.253 -9.605 1.00 0.00 O ATOM 1279 CG2 THR A 80 -5.227 -21.033 -10.956 1.00 0.00 C ATOM 0 H THR A 80 -3.973 -18.221 -8.328 1.00 0.00 H new ATOM 0 HA THR A 80 -4.513 -21.070 -8.353 1.00 0.00 H new ATOM 0 HB THR A 80 -4.372 -19.097 -10.665 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.760 -19.140 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.850 -20.719 -11.793 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.296 -21.455 -11.335 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.756 -21.787 -10.373 1.00 0.00 H new ATOM 1287 N SER A 81 -2.402 -21.985 -9.289 1.00 0.00 N ATOM 1288 CA SER A 81 -1.132 -22.539 -9.744 1.00 0.00 C ATOM 1289 C SER A 81 0.039 -21.702 -9.236 1.00 0.00 C ATOM 1290 O SER A 81 0.738 -21.038 -10.001 1.00 0.00 O ATOM 1291 CB SER A 81 -1.100 -22.608 -11.272 1.00 0.00 C ATOM 1292 OG SER A 81 -1.046 -21.311 -11.840 1.00 0.00 O ATOM 0 H SER A 81 -3.043 -22.671 -8.891 1.00 0.00 H new ATOM 0 HA SER A 81 -1.038 -23.547 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.234 -23.186 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.985 -23.130 -11.634 1.00 0.00 H new ATOM 0 HG SER A 81 -0.687 -20.680 -11.181 1.00 0.00 H new ATOM 1298 N PRO A 82 0.259 -21.735 -7.913 1.00 0.00 N ATOM 1299 CA PRO A 82 1.344 -20.986 -7.273 1.00 0.00 C ATOM 1300 C PRO A 82 2.718 -21.552 -7.614 1.00 0.00 C ATOM 1301 O PRO A 82 2.834 -22.677 -8.098 1.00 0.00 O ATOM 1302 CB PRO A 82 1.054 -21.151 -5.778 1.00 0.00 C ATOM 1303 CG PRO A 82 0.279 -22.419 -5.680 1.00 0.00 C ATOM 1304 CD PRO A 82 -0.535 -22.506 -6.941 1.00 0.00 C ATOM 0 HA PRO A 82 1.374 -19.948 -7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.976 -21.205 -5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.483 -20.307 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.945 -23.277 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.364 -22.416 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.670 -23.539 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.530 -22.081 -6.807 1.00 0.00 H new ATOM 1312 N ALA A 83 3.757 -20.764 -7.358 1.00 0.00 N ATOM 1313 CA ALA A 83 5.124 -21.188 -7.636 1.00 0.00 C ATOM 1314 C ALA A 83 5.944 -21.273 -6.353 1.00 0.00 C ATOM 1315 O ALA A 83 7.161 -21.093 -6.371 1.00 0.00 O ATOM 1316 CB ALA A 83 5.782 -20.234 -8.622 1.00 0.00 C ATOM 0 H ALA A 83 3.678 -19.829 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 83 5.086 -22.183 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.802 -20.563 -8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.216 -20.226 -9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.800 -19.229 -8.199 1.00 0.00 H new ATOM 1322 N GLU A 84 5.269 -21.548 -5.241 1.00 0.00 N ATOM 1323 CA GLU A 84 5.936 -21.655 -3.949 1.00 0.00 C ATOM 1324 C GLU A 84 6.670 -20.362 -3.607 1.00 0.00 C ATOM 1325 O GLU A 84 7.659 -20.372 -2.874 1.00 0.00 O ATOM 1326 CB GLU A 84 6.920 -22.827 -3.954 1.00 0.00 C ATOM 1327 CG GLU A 84 7.045 -23.523 -2.609 1.00 0.00 C ATOM 1328 CD GLU A 84 5.713 -24.025 -2.086 1.00 0.00 C ATOM 1329 OE1 GLU A 84 4.783 -24.198 -2.902 1.00 0.00 O ATOM 1330 OE2 GLU A 84 5.600 -24.244 -0.862 1.00 0.00 O ATOM 0 H GLU A 84 4.261 -21.701 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 84 5.175 -21.832 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.602 -23.554 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.902 -22.465 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.735 -24.362 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.478 -22.832 -1.886 1.00 0.00 H new ATOM 1337 N ASP A 85 6.180 -19.250 -4.144 1.00 0.00 N ATOM 1338 CA ASP A 85 6.788 -17.948 -3.896 1.00 0.00 C ATOM 1339 C ASP A 85 5.883 -17.083 -3.024 1.00 0.00 C ATOM 1340 O ASP A 85 5.111 -16.268 -3.531 1.00 0.00 O ATOM 1341 CB ASP A 85 7.076 -17.236 -5.218 1.00 0.00 C ATOM 1342 CG ASP A 85 7.739 -15.887 -5.017 1.00 0.00 C ATOM 1343 OD1 ASP A 85 8.661 -15.799 -4.180 1.00 0.00 O ATOM 1344 OD2 ASP A 85 7.337 -14.921 -5.698 1.00 0.00 O ATOM 0 H ASP A 85 5.363 -19.224 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 85 7.727 -18.108 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.719 -17.865 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.143 -17.101 -5.765 1.00 0.00 H new TER 1349 ASP A 85