USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 686 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 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.0107 USER MOD Set 2.1: A 26 SER OG : rot -130:sc= 0 USER MOD Set 2.2: A 34 GLN : amide:sc= -6.04! C(o=-6!,f=-9.4!) USER MOD Set 3.1: A 15 GLN : amide:sc= -2.84! C(o=-2!,f=-11!) USER MOD Set 3.2: A 44 LYS NZ :NH3+ 145:sc= 0.849 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0111 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.211! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.0373 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.43! C(o=-3.4!,f=-8.2!) USER MOD Single : A 11 CYS SG : rot 40:sc= 0.14 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0745 K(o=-0.075,f=-1.4) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.789! USER MOD Single : A 35 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 43 MET CE :methyl -130:sc= -0.0872 (180deg=-1.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 83:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.37) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -2.98! C(o=-3!,f=-3.8!) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= -0.0975 (180deg=-0.136) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.163) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 68:sc= -0.741 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 14:sc= 0.00595 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.353 -16.032 -16.524 1.00 0.00 N ATOM 2 CA GLY A 1 -21.697 -16.319 -15.262 1.00 0.00 C ATOM 3 C GLY A 1 -21.446 -15.068 -14.442 1.00 0.00 C ATOM 4 O GLY A 1 -22.251 -14.137 -14.455 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.112 -16.724 -16.686 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.758 -15.075 -16.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.660 -16.091 -17.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.311 -17.011 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.748 -16.820 -15.455 1.00 0.00 H new ATOM 8 N SER A 2 -20.326 -15.047 -13.726 1.00 0.00 N ATOM 9 CA SER A 2 -19.974 -13.904 -12.892 1.00 0.00 C ATOM 10 C SER A 2 -18.468 -13.660 -12.913 1.00 0.00 C ATOM 11 O SER A 2 -17.677 -14.572 -12.674 1.00 0.00 O ATOM 12 CB SER A 2 -20.445 -14.130 -11.454 1.00 0.00 C ATOM 13 OG SER A 2 -19.587 -15.028 -10.771 1.00 0.00 O ATOM 0 H SER A 2 -19.647 -15.808 -13.707 1.00 0.00 H new ATOM 0 HA SER A 2 -20.473 -13.023 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.476 -13.178 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.461 -14.525 -11.459 1.00 0.00 H new ATOM 0 HG SER A 2 -18.746 -15.118 -11.266 1.00 0.00 H new ATOM 19 N SER A 3 -18.080 -12.422 -13.202 1.00 0.00 N ATOM 20 CA SER A 3 -16.669 -12.057 -13.258 1.00 0.00 C ATOM 21 C SER A 3 -16.504 -10.546 -13.391 1.00 0.00 C ATOM 22 O SER A 3 -17.184 -9.903 -14.189 1.00 0.00 O ATOM 23 CB SER A 3 -15.985 -12.761 -14.432 1.00 0.00 C ATOM 24 OG SER A 3 -14.584 -12.841 -14.232 1.00 0.00 O ATOM 0 H SER A 3 -18.722 -11.655 -13.401 1.00 0.00 H new ATOM 0 HA SER A 3 -16.199 -12.376 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.397 -13.763 -14.549 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.194 -12.221 -15.356 1.00 0.00 H new ATOM 0 HG SER A 3 -14.170 -13.296 -14.995 1.00 0.00 H new ATOM 30 N GLY A 4 -15.593 -9.985 -12.600 1.00 0.00 N ATOM 31 CA GLY A 4 -15.354 -8.555 -12.643 1.00 0.00 C ATOM 32 C GLY A 4 -15.125 -7.963 -11.267 1.00 0.00 C ATOM 33 O GLY A 4 -14.961 -8.693 -10.289 1.00 0.00 O ATOM 0 H GLY A 4 -15.017 -10.496 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.486 -8.354 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.206 -8.061 -13.110 1.00 0.00 H new ATOM 37 N SER A 5 -15.113 -6.636 -11.189 1.00 0.00 N ATOM 38 CA SER A 5 -14.897 -5.947 -9.922 1.00 0.00 C ATOM 39 C SER A 5 -15.497 -4.545 -9.958 1.00 0.00 C ATOM 40 O SER A 5 -15.298 -3.796 -10.914 1.00 0.00 O ATOM 41 CB SER A 5 -13.402 -5.866 -9.609 1.00 0.00 C ATOM 42 OG SER A 5 -12.717 -5.102 -10.587 1.00 0.00 O ATOM 0 H SER A 5 -15.250 -6.017 -11.988 1.00 0.00 H new ATOM 0 HA SER A 5 -15.394 -6.517 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.257 -5.418 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.981 -6.871 -9.567 1.00 0.00 H new ATOM 0 HG SER A 5 -13.301 -4.383 -10.908 1.00 0.00 H new ATOM 48 N SER A 6 -16.233 -4.196 -8.907 1.00 0.00 N ATOM 49 CA SER A 6 -16.867 -2.885 -8.819 1.00 0.00 C ATOM 50 C SER A 6 -16.144 -2.000 -7.808 1.00 0.00 C ATOM 51 O SER A 6 -15.463 -2.493 -6.909 1.00 0.00 O ATOM 52 CB SER A 6 -18.338 -3.032 -8.426 1.00 0.00 C ATOM 53 OG SER A 6 -19.003 -3.952 -9.274 1.00 0.00 O ATOM 0 H SER A 6 -16.405 -4.802 -8.105 1.00 0.00 H new ATOM 0 HA SER A 6 -16.806 -2.412 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.409 -3.369 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.831 -2.061 -8.480 1.00 0.00 H new ATOM 0 HG SER A 6 -19.941 -4.029 -9.001 1.00 0.00 H new ATOM 59 N GLY A 7 -16.299 -0.689 -7.962 1.00 0.00 N ATOM 60 CA GLY A 7 -15.655 0.245 -7.056 1.00 0.00 C ATOM 61 C GLY A 7 -14.878 1.321 -7.789 1.00 0.00 C ATOM 62 O GLY A 7 -14.808 1.319 -9.018 1.00 0.00 O ATOM 0 H GLY A 7 -16.858 -0.257 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.410 0.713 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.980 -0.300 -6.396 1.00 0.00 H new ATOM 66 N VAL A 8 -14.293 2.245 -7.033 1.00 0.00 N ATOM 67 CA VAL A 8 -13.517 3.332 -7.618 1.00 0.00 C ATOM 68 C VAL A 8 -12.082 3.321 -7.104 1.00 0.00 C ATOM 69 O VAL A 8 -11.841 3.451 -5.904 1.00 0.00 O ATOM 70 CB VAL A 8 -14.150 4.702 -7.310 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.222 4.932 -5.808 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.368 5.815 -7.991 1.00 0.00 C ATOM 0 H VAL A 8 -14.342 2.262 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.515 3.175 -8.697 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.166 4.710 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.672 5.905 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.829 4.151 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.217 4.905 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.829 6.776 -7.763 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.340 5.811 -7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.374 5.657 -9.069 1.00 0.00 H new ATOM 82 N GLN A 9 -11.133 3.165 -8.021 1.00 0.00 N ATOM 83 CA GLN A 9 -9.720 3.137 -7.661 1.00 0.00 C ATOM 84 C GLN A 9 -8.926 4.142 -8.489 1.00 0.00 C ATOM 85 O GLN A 9 -9.396 4.616 -9.524 1.00 0.00 O ATOM 86 CB GLN A 9 -9.149 1.731 -7.858 1.00 0.00 C ATOM 87 CG GLN A 9 -9.162 1.268 -9.306 1.00 0.00 C ATOM 88 CD GLN A 9 -9.026 -0.236 -9.438 1.00 0.00 C ATOM 89 OE1 GLN A 9 -9.777 -0.995 -8.826 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.063 -0.676 -10.241 1.00 0.00 N ATOM 0 H GLN A 9 -11.317 3.056 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.634 3.412 -6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.124 1.708 -7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.722 1.027 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.091 1.588 -9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.348 1.752 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.463 -0.011 -10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.924 -1.678 -10.369 1.00 0.00 H new ATOM 99 N ARG A 10 -7.723 4.463 -8.027 1.00 0.00 N ATOM 100 CA ARG A 10 -6.865 5.413 -8.725 1.00 0.00 C ATOM 101 C ARG A 10 -5.407 4.962 -8.682 1.00 0.00 C ATOM 102 O ARG A 10 -4.989 4.268 -7.755 1.00 0.00 O ATOM 103 CB ARG A 10 -6.997 6.804 -8.103 1.00 0.00 C ATOM 104 CG ARG A 10 -6.683 6.840 -6.617 1.00 0.00 C ATOM 105 CD ARG A 10 -7.157 8.137 -5.978 1.00 0.00 C ATOM 106 NE ARG A 10 -8.601 8.144 -5.762 1.00 0.00 N ATOM 107 CZ ARG A 10 -9.217 8.990 -4.943 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.518 9.892 -4.268 1.00 0.00 N ATOM 109 NH2 ARG A 10 -10.535 8.935 -4.799 1.00 0.00 N ATOM 0 H ARG A 10 -7.320 4.079 -7.172 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.184 5.456 -9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.329 7.490 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.012 7.168 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.160 5.994 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.609 6.731 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.647 8.279 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.882 8.977 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.168 7.463 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.505 9.938 -4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.993 10.540 -3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.076 8.243 -5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.007 9.585 -4.170 1.00 0.00 H new ATOM 123 N CYS A 11 -4.641 5.361 -9.691 1.00 0.00 N ATOM 124 CA CYS A 11 -3.230 4.997 -9.769 1.00 0.00 C ATOM 125 C CYS A 11 -2.349 6.117 -9.225 1.00 0.00 C ATOM 126 O CYS A 11 -2.196 7.163 -9.854 1.00 0.00 O ATOM 127 CB CYS A 11 -2.843 4.685 -11.215 1.00 0.00 C ATOM 128 SG CYS A 11 -3.138 6.045 -12.369 1.00 0.00 S ATOM 0 H CYS A 11 -4.972 5.936 -10.466 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.075 4.108 -9.158 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.787 4.418 -11.247 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.403 3.811 -11.549 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.819 7.171 -11.803 1.00 0.00 H new ATOM 134 N VAL A 12 -1.772 5.889 -8.049 1.00 0.00 N ATOM 135 CA VAL A 12 -0.906 6.878 -7.418 1.00 0.00 C ATOM 136 C VAL A 12 0.559 6.464 -7.508 1.00 0.00 C ATOM 137 O VAL A 12 0.918 5.338 -7.164 1.00 0.00 O ATOM 138 CB VAL A 12 -1.278 7.089 -5.939 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.105 5.796 -5.155 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.442 8.205 -5.333 1.00 0.00 C ATOM 0 H VAL A 12 -1.889 5.028 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.050 7.814 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.327 7.382 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.373 5.964 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.752 5.026 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.067 5.470 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.719 8.340 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.614 7.945 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.622 9.131 -5.878 1.00 0.00 H new ATOM 150 N ILE A 13 1.400 7.381 -7.973 1.00 0.00 N ATOM 151 CA ILE A 13 2.826 7.112 -8.106 1.00 0.00 C ATOM 152 C ILE A 13 3.620 7.788 -6.994 1.00 0.00 C ATOM 153 O ILE A 13 3.596 9.011 -6.856 1.00 0.00 O ATOM 154 CB ILE A 13 3.364 7.589 -9.468 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.654 6.854 -10.607 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.868 7.374 -9.548 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.973 7.412 -11.977 1.00 0.00 C ATOM 0 H ILE A 13 1.118 8.317 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 13 2.951 6.032 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 13 3.163 8.656 -9.568 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.933 5.801 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.577 6.903 -10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.233 7.716 -10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.359 7.938 -8.755 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.091 6.314 -9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.436 6.843 -12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.669 8.458 -12.024 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.045 7.338 -12.159 1.00 0.00 H new ATOM 169 N ILE A 14 4.323 6.983 -6.204 1.00 0.00 N ATOM 170 CA ILE A 14 5.127 7.504 -5.105 1.00 0.00 C ATOM 171 C ILE A 14 6.616 7.402 -5.417 1.00 0.00 C ATOM 172 O ILE A 14 7.160 6.305 -5.540 1.00 0.00 O ATOM 173 CB ILE A 14 4.837 6.755 -3.791 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.334 6.749 -3.503 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.599 7.392 -2.639 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.915 5.698 -2.499 1.00 0.00 C ATOM 0 H ILE A 14 4.352 5.968 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 14 4.854 8.552 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 14 5.172 5.723 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.039 7.731 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.794 6.585 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.384 6.851 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.669 7.350 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.291 8.432 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.837 5.752 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.178 4.710 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.427 5.874 -1.553 1.00 0.00 H new ATOM 188 N GLN A 15 7.270 8.553 -5.541 1.00 0.00 N ATOM 189 CA GLN A 15 8.697 8.592 -5.838 1.00 0.00 C ATOM 190 C GLN A 15 9.512 8.791 -4.564 1.00 0.00 C ATOM 191 O GLN A 15 9.105 9.523 -3.662 1.00 0.00 O ATOM 192 CB GLN A 15 9.002 9.713 -6.832 1.00 0.00 C ATOM 193 CG GLN A 15 8.851 11.107 -6.244 1.00 0.00 C ATOM 194 CD GLN A 15 7.401 11.503 -6.046 1.00 0.00 C ATOM 195 OE1 GLN A 15 6.955 11.730 -4.921 1.00 0.00 O ATOM 196 NE2 GLN A 15 6.655 11.587 -7.141 1.00 0.00 N ATOM 0 H GLN A 15 6.835 9.470 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 15 8.977 7.637 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.020 9.592 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.338 9.616 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.370 11.151 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.334 11.829 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.065 11.390 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.672 11.848 -7.069 1.00 0.00 H new ATOM 205 N LYS A 16 10.665 8.134 -4.497 1.00 0.00 N ATOM 206 CA LYS A 16 11.538 8.238 -3.334 1.00 0.00 C ATOM 207 C LYS A 16 11.971 9.683 -3.107 1.00 0.00 C ATOM 208 O LYS A 16 12.140 10.447 -4.057 1.00 0.00 O ATOM 209 CB LYS A 16 12.770 7.348 -3.515 1.00 0.00 C ATOM 210 CG LYS A 16 13.735 7.852 -4.574 1.00 0.00 C ATOM 211 CD LYS A 16 14.946 6.944 -4.703 1.00 0.00 C ATOM 212 CE LYS A 16 15.998 7.545 -5.623 1.00 0.00 C ATOM 213 NZ LYS A 16 16.784 8.612 -4.944 1.00 0.00 N ATOM 0 H LYS A 16 11.017 7.524 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 16 10.980 7.903 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.296 7.272 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.445 6.342 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.223 7.915 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.061 8.861 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.379 6.771 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.635 5.973 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.672 6.760 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.514 7.958 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.490 8.996 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.145 9.373 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.267 8.213 -4.114 1.00 0.00 H new ATOM 227 N ASP A 17 12.150 10.049 -1.842 1.00 0.00 N ATOM 228 CA ASP A 17 12.566 11.402 -1.490 1.00 0.00 C ATOM 229 C ASP A 17 13.728 11.374 -0.502 1.00 0.00 C ATOM 230 O ASP A 17 14.665 12.164 -0.608 1.00 0.00 O ATOM 231 CB ASP A 17 11.392 12.181 -0.895 1.00 0.00 C ATOM 232 CG ASP A 17 11.821 13.505 -0.294 1.00 0.00 C ATOM 233 OD1 ASP A 17 12.284 13.508 0.866 1.00 0.00 O ATOM 234 OD2 ASP A 17 11.695 14.538 -0.984 1.00 0.00 O ATOM 0 H ASP A 17 12.014 9.428 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 17 12.899 11.901 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.649 12.362 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.910 11.576 -0.127 1.00 0.00 H new ATOM 239 N GLN A 18 13.658 10.458 0.459 1.00 0.00 N ATOM 240 CA GLN A 18 14.703 10.329 1.468 1.00 0.00 C ATOM 241 C GLN A 18 15.362 8.955 1.396 1.00 0.00 C ATOM 242 O GLN A 18 15.258 8.156 2.327 1.00 0.00 O ATOM 243 CB GLN A 18 14.124 10.557 2.865 1.00 0.00 C ATOM 244 CG GLN A 18 15.149 11.046 3.876 1.00 0.00 C ATOM 245 CD GLN A 18 15.583 12.476 3.623 1.00 0.00 C ATOM 246 OE1 GLN A 18 15.028 13.162 2.764 1.00 0.00 O ATOM 247 NE2 GLN A 18 16.579 12.934 4.371 1.00 0.00 N ATOM 0 H GLN A 18 12.889 9.795 0.560 1.00 0.00 H new ATOM 0 HA GLN A 18 15.461 11.087 1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.315 11.284 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.687 9.625 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.729 10.970 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.022 10.395 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.010 12.331 5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.913 13.889 4.246 1.00 0.00 H new ATOM 256 N HIS A 19 16.039 8.687 0.284 1.00 0.00 N ATOM 257 CA HIS A 19 16.715 7.409 0.091 1.00 0.00 C ATOM 258 C HIS A 19 15.727 6.251 0.192 1.00 0.00 C ATOM 259 O HIS A 19 16.010 5.234 0.825 1.00 0.00 O ATOM 260 CB HIS A 19 17.829 7.236 1.124 1.00 0.00 C ATOM 261 CG HIS A 19 19.083 7.981 0.783 1.00 0.00 C ATOM 262 ND1 HIS A 19 20.330 7.391 0.774 1.00 0.00 N ATOM 263 CD2 HIS A 19 19.278 9.274 0.436 1.00 0.00 C ATOM 264 CE1 HIS A 19 21.237 8.290 0.438 1.00 0.00 C ATOM 265 NE2 HIS A 19 20.625 9.441 0.227 1.00 0.00 N ATOM 0 H HIS A 19 16.134 9.337 -0.496 1.00 0.00 H new ATOM 0 HA HIS A 19 17.152 7.404 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.468 7.574 2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 19 18.061 6.176 1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 19 18.516 10.034 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 19 22.299 8.114 0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 19 21.079 10.312 -0.047 1.00 0.00 H new ATOM 274 N GLY A 20 14.567 6.412 -0.437 1.00 0.00 N ATOM 275 CA GLY A 20 13.555 5.373 -0.404 1.00 0.00 C ATOM 276 C GLY A 20 12.165 5.924 -0.156 1.00 0.00 C ATOM 277 O GLY A 20 11.965 7.139 -0.140 1.00 0.00 O ATOM 0 H GLY A 20 14.310 7.244 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.564 4.831 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.802 4.654 0.377 1.00 0.00 H new ATOM 281 N PHE A 21 11.201 5.030 0.037 1.00 0.00 N ATOM 282 CA PHE A 21 9.822 5.434 0.284 1.00 0.00 C ATOM 283 C PHE A 21 9.533 5.497 1.781 1.00 0.00 C ATOM 284 O PHE A 21 10.291 4.970 2.593 1.00 0.00 O ATOM 285 CB PHE A 21 8.854 4.461 -0.394 1.00 0.00 C ATOM 286 CG PHE A 21 9.184 4.194 -1.834 1.00 0.00 C ATOM 287 CD1 PHE A 21 9.050 5.192 -2.786 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.628 2.945 -2.237 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.352 4.948 -4.112 1.00 0.00 C ATOM 290 CE2 PHE A 21 9.932 2.695 -3.562 1.00 0.00 C ATOM 291 CZ PHE A 21 9.795 3.699 -4.501 1.00 0.00 C ATOM 0 H PHE A 21 11.349 4.021 0.027 1.00 0.00 H new ATOM 0 HA PHE A 21 9.680 6.429 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.857 3.518 0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.843 4.863 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.706 6.171 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.738 2.157 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.242 5.734 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.276 1.716 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.034 3.508 -5.537 1.00 0.00 H new ATOM 301 N GLY A 22 8.429 6.147 2.138 1.00 0.00 N ATOM 302 CA GLY A 22 8.058 6.268 3.536 1.00 0.00 C ATOM 303 C GLY A 22 6.737 5.592 3.846 1.00 0.00 C ATOM 304 O GLY A 22 6.050 5.964 4.797 1.00 0.00 O ATOM 0 H GLY A 22 7.785 6.592 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.841 5.830 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.994 7.323 3.802 1.00 0.00 H new ATOM 308 N PHE A 23 6.380 4.597 3.041 1.00 0.00 N ATOM 309 CA PHE A 23 5.131 3.869 3.233 1.00 0.00 C ATOM 310 C PHE A 23 5.374 2.363 3.236 1.00 0.00 C ATOM 311 O PHE A 23 6.006 1.822 2.328 1.00 0.00 O ATOM 312 CB PHE A 23 4.130 4.234 2.135 1.00 0.00 C ATOM 313 CG PHE A 23 4.331 3.464 0.861 1.00 0.00 C ATOM 314 CD1 PHE A 23 3.693 2.251 0.661 1.00 0.00 C ATOM 315 CD2 PHE A 23 5.158 3.954 -0.137 1.00 0.00 C ATOM 316 CE1 PHE A 23 3.875 1.540 -0.510 1.00 0.00 C ATOM 317 CE2 PHE A 23 5.344 3.248 -1.310 1.00 0.00 C ATOM 318 CZ PHE A 23 4.703 2.039 -1.497 1.00 0.00 C ATOM 0 H PHE A 23 6.938 4.276 2.250 1.00 0.00 H new ATOM 0 HA PHE A 23 4.718 4.154 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.119 4.056 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.209 5.300 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.045 1.856 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.663 4.898 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.371 0.596 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.990 3.641 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.849 1.485 -2.413 1.00 0.00 H new ATOM 328 N THR A 24 4.867 1.689 4.264 1.00 0.00 N ATOM 329 CA THR A 24 5.029 0.246 4.387 1.00 0.00 C ATOM 330 C THR A 24 3.730 -0.483 4.063 1.00 0.00 C ATOM 331 O THR A 24 2.680 0.140 3.902 1.00 0.00 O ATOM 332 CB THR A 24 5.486 -0.149 5.804 1.00 0.00 C ATOM 333 OG1 THR A 24 4.978 -1.445 6.139 1.00 0.00 O ATOM 334 CG2 THR A 24 5.011 0.869 6.829 1.00 0.00 C ATOM 0 H THR A 24 4.340 2.120 5.024 1.00 0.00 H new ATOM 0 HA THR A 24 5.796 -0.048 3.670 1.00 0.00 H new ATOM 0 HB THR A 24 6.576 -0.172 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.274 -1.690 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.346 0.569 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.424 1.848 6.588 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.922 0.920 6.813 1.00 0.00 H new ATOM 342 N VAL A 25 3.808 -1.807 3.968 1.00 0.00 N ATOM 343 CA VAL A 25 2.637 -2.621 3.664 1.00 0.00 C ATOM 344 C VAL A 25 2.638 -3.909 4.480 1.00 0.00 C ATOM 345 O VAL A 25 3.625 -4.241 5.136 1.00 0.00 O ATOM 346 CB VAL A 25 2.572 -2.975 2.167 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.006 -1.811 1.367 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.949 -3.366 1.652 1.00 0.00 C ATOM 0 H VAL A 25 4.669 -2.338 4.097 1.00 0.00 H new ATOM 0 HA VAL A 25 1.762 -2.027 3.927 1.00 0.00 H new ATOM 0 HB VAL A 25 1.906 -3.829 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.968 -2.080 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.001 -1.582 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.644 -0.937 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.884 -3.613 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.639 -2.533 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.312 -4.232 2.205 1.00 0.00 H new ATOM 358 N SER A 26 1.524 -4.633 4.434 1.00 0.00 N ATOM 359 CA SER A 26 1.394 -5.884 5.171 1.00 0.00 C ATOM 360 C SER A 26 0.202 -6.692 4.665 1.00 0.00 C ATOM 361 O SER A 26 -0.862 -6.141 4.388 1.00 0.00 O ATOM 362 CB SER A 26 1.237 -5.605 6.667 1.00 0.00 C ATOM 363 OG SER A 26 1.701 -6.698 7.441 1.00 0.00 O ATOM 0 H SER A 26 0.698 -4.374 3.894 1.00 0.00 H new ATOM 0 HA SER A 26 2.301 -6.467 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.792 -4.705 6.933 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.189 -5.412 6.896 1.00 0.00 H new ATOM 0 HG SER A 26 1.021 -6.942 8.103 1.00 0.00 H new ATOM 369 N GLY A 27 0.391 -8.003 4.548 1.00 0.00 N ATOM 370 CA GLY A 27 -0.676 -8.866 4.076 1.00 0.00 C ATOM 371 C GLY A 27 -0.219 -9.803 2.975 1.00 0.00 C ATOM 372 O GLY A 27 0.328 -9.363 1.963 1.00 0.00 O ATOM 0 H GLY A 27 1.263 -8.482 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.062 -9.452 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.499 -8.253 3.709 1.00 0.00 H new ATOM 376 N ASP A 28 -0.442 -11.097 3.172 1.00 0.00 N ATOM 377 CA ASP A 28 -0.048 -12.099 2.188 1.00 0.00 C ATOM 378 C ASP A 28 -0.814 -11.908 0.882 1.00 0.00 C ATOM 379 O ASP A 28 -0.242 -11.505 -0.131 1.00 0.00 O ATOM 380 CB ASP A 28 -0.293 -13.506 2.736 1.00 0.00 C ATOM 381 CG ASP A 28 0.074 -14.588 1.738 1.00 0.00 C ATOM 382 OD1 ASP A 28 -0.363 -14.493 0.572 1.00 0.00 O ATOM 383 OD2 ASP A 28 0.799 -15.528 2.124 1.00 0.00 O ATOM 0 H ASP A 28 -0.893 -11.477 4.004 1.00 0.00 H new ATOM 0 HA ASP A 28 1.016 -11.976 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.288 -13.644 3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.343 -13.609 3.009 1.00 0.00 H new ATOM 388 N ARG A 29 -2.110 -12.202 0.914 1.00 0.00 N ATOM 389 CA ARG A 29 -2.953 -12.064 -0.268 1.00 0.00 C ATOM 390 C ARG A 29 -3.579 -10.674 -0.330 1.00 0.00 C ATOM 391 O ARG A 29 -3.735 -10.101 -1.409 1.00 0.00 O ATOM 392 CB ARG A 29 -4.051 -13.130 -0.264 1.00 0.00 C ATOM 393 CG ARG A 29 -3.596 -14.475 -0.806 1.00 0.00 C ATOM 394 CD ARG A 29 -4.461 -15.610 -0.279 1.00 0.00 C ATOM 395 NE ARG A 29 -5.841 -15.507 -0.745 1.00 0.00 N ATOM 396 CZ ARG A 29 -6.745 -16.466 -0.583 1.00 0.00 C ATOM 397 NH1 ARG A 29 -6.416 -17.595 0.031 1.00 0.00 N ATOM 398 NH2 ARG A 29 -7.981 -16.298 -1.034 1.00 0.00 N ATOM 0 H ARG A 29 -2.599 -12.537 1.744 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.326 -12.201 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.413 -13.262 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.893 -12.774 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.635 -14.462 -1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.557 -14.648 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.041 -16.564 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.445 -15.602 0.811 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.126 -14.651 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.467 -17.728 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.112 -18.330 0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.238 -15.431 -1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.674 -17.036 -0.909 1.00 0.00 H new ATOM 412 N ILE A 30 -3.936 -10.139 0.832 1.00 0.00 N ATOM 413 CA ILE A 30 -4.544 -8.817 0.909 1.00 0.00 C ATOM 414 C ILE A 30 -3.545 -7.780 1.411 1.00 0.00 C ATOM 415 O ILE A 30 -3.346 -7.626 2.616 1.00 0.00 O ATOM 416 CB ILE A 30 -5.776 -8.816 1.834 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.788 -9.866 1.372 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.414 -7.435 1.866 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.432 -9.541 0.043 1.00 0.00 C ATOM 0 H ILE A 30 -3.815 -10.601 1.733 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.858 -8.556 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.454 -9.069 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.289 -10.832 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.566 -9.966 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.283 -7.451 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.691 -6.709 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.726 -7.155 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.138 -10.328 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.960 -8.590 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.663 -9.470 -0.726 1.00 0.00 H new ATOM 431 N VAL A 31 -2.918 -7.070 0.478 1.00 0.00 N ATOM 432 CA VAL A 31 -1.941 -6.045 0.825 1.00 0.00 C ATOM 433 C VAL A 31 -2.625 -4.723 1.154 1.00 0.00 C ATOM 434 O VAL A 31 -3.538 -4.290 0.449 1.00 0.00 O ATOM 435 CB VAL A 31 -0.935 -5.819 -0.318 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.064 -4.735 0.056 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.221 -7.117 -0.663 1.00 0.00 C ATOM 0 H VAL A 31 -3.069 -7.186 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.406 -6.403 1.705 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.482 -5.486 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.767 -4.589 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.466 -3.803 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.608 -5.035 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.486 -6.939 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.315 -7.481 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.952 -7.862 -0.977 1.00 0.00 H new ATOM 447 N LEU A 32 -2.178 -4.084 2.230 1.00 0.00 N ATOM 448 CA LEU A 32 -2.746 -2.809 2.653 1.00 0.00 C ATOM 449 C LEU A 32 -1.669 -1.898 3.233 1.00 0.00 C ATOM 450 O LEU A 32 -0.694 -2.367 3.821 1.00 0.00 O ATOM 451 CB LEU A 32 -3.848 -3.038 3.690 1.00 0.00 C ATOM 452 CG LEU A 32 -5.074 -3.812 3.206 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.740 -4.536 4.366 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.060 -2.877 2.522 1.00 0.00 C ATOM 0 H LEU A 32 -1.424 -4.428 2.825 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.174 -2.322 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.417 -3.572 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.179 -2.067 4.060 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.747 -4.556 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.611 -5.082 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.033 -5.236 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.054 -3.810 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.926 -3.446 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.382 -2.109 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.579 -2.405 1.665 1.00 0.00 H new ATOM 466 N VAL A 33 -1.851 -0.592 3.064 1.00 0.00 N ATOM 467 CA VAL A 33 -0.897 0.386 3.573 1.00 0.00 C ATOM 468 C VAL A 33 -0.804 0.324 5.094 1.00 0.00 C ATOM 469 O VAL A 33 -1.661 0.855 5.799 1.00 0.00 O ATOM 470 CB VAL A 33 -1.279 1.817 3.151 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.335 2.830 3.780 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.278 1.943 1.635 1.00 0.00 C ATOM 0 H VAL A 33 -2.651 -0.187 2.578 1.00 0.00 H new ATOM 0 HA VAL A 33 0.072 0.135 3.142 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.287 2.026 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.621 3.835 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.392 2.755 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.686 2.627 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.550 2.960 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.284 1.714 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.000 1.244 1.211 1.00 0.00 H new ATOM 482 N GLN A 34 0.241 -0.329 5.591 1.00 0.00 N ATOM 483 CA GLN A 34 0.445 -0.460 7.029 1.00 0.00 C ATOM 484 C GLN A 34 0.530 0.910 7.694 1.00 0.00 C ATOM 485 O GLN A 34 -0.258 1.228 8.586 1.00 0.00 O ATOM 486 CB GLN A 34 1.719 -1.258 7.314 1.00 0.00 C ATOM 487 CG GLN A 34 1.675 -2.026 8.625 1.00 0.00 C ATOM 488 CD GLN A 34 0.850 -3.295 8.531 1.00 0.00 C ATOM 489 OE1 GLN A 34 -0.199 -3.321 7.886 1.00 0.00 O ATOM 490 NE2 GLN A 34 1.320 -4.356 9.175 1.00 0.00 N ATOM 0 H GLN A 34 0.959 -0.775 5.020 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.410 -0.993 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.889 -1.959 6.497 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.569 -0.576 7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.691 -2.279 8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.261 -1.385 9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.194 -4.290 9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.808 -5.238 9.148 1.00 0.00 H new ATOM 499 N SER A 35 1.490 1.717 7.256 1.00 0.00 N ATOM 500 CA SER A 35 1.680 3.052 7.812 1.00 0.00 C ATOM 501 C SER A 35 2.202 4.014 6.749 1.00 0.00 C ATOM 502 O SER A 35 2.674 3.593 5.692 1.00 0.00 O ATOM 503 CB SER A 35 2.653 3.002 8.992 1.00 0.00 C ATOM 504 OG SER A 35 3.993 3.142 8.554 1.00 0.00 O ATOM 0 H SER A 35 2.149 1.470 6.518 1.00 0.00 H new ATOM 0 HA SER A 35 0.713 3.414 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.413 3.796 9.699 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.537 2.057 9.523 1.00 0.00 H new ATOM 0 HG SER A 35 4.595 3.108 9.327 1.00 0.00 H new ATOM 510 N VAL A 36 2.113 5.308 7.037 1.00 0.00 N ATOM 511 CA VAL A 36 2.577 6.332 6.107 1.00 0.00 C ATOM 512 C VAL A 36 3.280 7.466 6.844 1.00 0.00 C ATOM 513 O VAL A 36 2.695 8.113 7.712 1.00 0.00 O ATOM 514 CB VAL A 36 1.411 6.914 5.286 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.912 7.988 4.333 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.690 5.810 4.528 1.00 0.00 C ATOM 0 H VAL A 36 1.724 5.673 7.906 1.00 0.00 H new ATOM 0 HA VAL A 36 3.283 5.849 5.431 1.00 0.00 H new ATOM 0 HB VAL A 36 0.701 7.375 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.074 8.387 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.378 8.792 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.644 7.556 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.131 6.239 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.388 5.318 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.295 5.081 5.235 1.00 0.00 H new ATOM 526 N ARG A 37 4.540 7.701 6.493 1.00 0.00 N ATOM 527 CA ARG A 37 5.325 8.756 7.121 1.00 0.00 C ATOM 528 C ARG A 37 4.552 10.071 7.139 1.00 0.00 C ATOM 529 O ARG A 37 3.860 10.426 6.184 1.00 0.00 O ATOM 530 CB ARG A 37 6.652 8.942 6.384 1.00 0.00 C ATOM 531 CG ARG A 37 7.785 9.417 7.280 1.00 0.00 C ATOM 532 CD ARG A 37 9.143 9.154 6.647 1.00 0.00 C ATOM 533 NE ARG A 37 9.602 7.788 6.885 1.00 0.00 N ATOM 534 CZ ARG A 37 10.126 7.379 8.035 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.255 8.226 9.047 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.521 6.120 8.175 1.00 0.00 N ATOM 0 H ARG A 37 5.039 7.174 5.776 1.00 0.00 H new ATOM 0 HA ARG A 37 5.528 8.459 8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.937 7.997 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.512 9.661 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.674 10.484 7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.726 8.909 8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.084 9.335 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.873 9.857 7.049 1.00 0.00 H new ATOM 0 HE ARG A 37 9.515 7.111 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.951 9.194 8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.658 7.909 9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.422 5.465 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.923 5.807 9.059 1.00 0.00 H new ATOM 550 N PRO A 38 4.670 10.813 8.250 1.00 0.00 N ATOM 551 CA PRO A 38 3.990 12.100 8.419 1.00 0.00 C ATOM 552 C PRO A 38 4.568 13.185 7.516 1.00 0.00 C ATOM 553 O PRO A 38 5.394 13.989 7.946 1.00 0.00 O ATOM 554 CB PRO A 38 4.236 12.442 9.891 1.00 0.00 C ATOM 555 CG PRO A 38 5.488 11.715 10.243 1.00 0.00 C ATOM 556 CD PRO A 38 5.478 10.452 9.427 1.00 0.00 C ATOM 0 HA PRO A 38 2.935 12.041 8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.348 13.517 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.403 12.122 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.367 12.319 10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.522 11.490 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.486 10.148 9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.037 9.621 9.978 1.00 0.00 H new ATOM 564 N GLY A 39 4.128 13.201 6.262 1.00 0.00 N ATOM 565 CA GLY A 39 4.613 14.191 5.318 1.00 0.00 C ATOM 566 C GLY A 39 5.837 13.719 4.560 1.00 0.00 C ATOM 567 O GLY A 39 6.721 14.512 4.237 1.00 0.00 O ATOM 0 H GLY A 39 3.444 12.546 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.821 14.431 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.852 15.111 5.852 1.00 0.00 H new ATOM 571 N GLY A 40 5.891 12.421 4.275 1.00 0.00 N ATOM 572 CA GLY A 40 7.022 11.866 3.554 1.00 0.00 C ATOM 573 C GLY A 40 6.874 12.002 2.051 1.00 0.00 C ATOM 574 O GLY A 40 7.012 13.095 1.503 1.00 0.00 O ATOM 0 H GLY A 40 5.172 11.744 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.935 12.369 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.132 10.813 3.811 1.00 0.00 H new ATOM 578 N ALA A 41 6.593 10.888 1.383 1.00 0.00 N ATOM 579 CA ALA A 41 6.426 10.887 -0.065 1.00 0.00 C ATOM 580 C ALA A 41 5.073 10.308 -0.461 1.00 0.00 C ATOM 581 O ALA A 41 4.457 10.751 -1.431 1.00 0.00 O ATOM 582 CB ALA A 41 7.551 10.104 -0.726 1.00 0.00 C ATOM 0 H ALA A 41 6.476 9.975 1.822 1.00 0.00 H new ATOM 0 HA ALA A 41 6.465 11.920 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.413 10.112 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.508 10.563 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.539 9.075 -0.366 1.00 0.00 H new ATOM 588 N ALA A 42 4.615 9.315 0.294 1.00 0.00 N ATOM 589 CA ALA A 42 3.333 8.676 0.022 1.00 0.00 C ATOM 590 C ALA A 42 2.175 9.540 0.509 1.00 0.00 C ATOM 591 O ALA A 42 1.101 9.550 -0.091 1.00 0.00 O ATOM 592 CB ALA A 42 3.279 7.302 0.673 1.00 0.00 C ATOM 0 H ALA A 42 5.113 8.935 1.099 1.00 0.00 H new ATOM 0 HA ALA A 42 3.236 8.558 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.316 6.837 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.079 6.678 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.403 7.405 1.751 1.00 0.00 H new ATOM 598 N MET A 43 2.401 10.263 1.601 1.00 0.00 N ATOM 599 CA MET A 43 1.375 11.131 2.169 1.00 0.00 C ATOM 600 C MET A 43 1.075 12.300 1.235 1.00 0.00 C ATOM 601 O MET A 43 -0.086 12.611 0.967 1.00 0.00 O ATOM 602 CB MET A 43 1.820 11.656 3.535 1.00 0.00 C ATOM 603 CG MET A 43 0.760 12.485 4.242 1.00 0.00 C ATOM 604 SD MET A 43 0.951 12.475 6.035 1.00 0.00 S ATOM 605 CE MET A 43 0.480 10.790 6.417 1.00 0.00 C ATOM 0 H MET A 43 3.285 10.265 2.110 1.00 0.00 H new ATOM 0 HA MET A 43 0.465 10.544 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.092 10.812 4.169 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.718 12.261 3.408 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.808 13.512 3.881 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.227 12.102 3.984 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.260 10.792 7.217 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.054 10.321 5.530 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.359 10.230 6.737 1.00 0.00 H new ATOM 615 N LYS A 44 2.127 12.945 0.744 1.00 0.00 N ATOM 616 CA LYS A 44 1.977 14.079 -0.160 1.00 0.00 C ATOM 617 C LYS A 44 1.227 13.671 -1.424 1.00 0.00 C ATOM 618 O LYS A 44 0.645 14.511 -2.109 1.00 0.00 O ATOM 619 CB LYS A 44 3.349 14.648 -0.529 1.00 0.00 C ATOM 620 CG LYS A 44 4.204 13.694 -1.345 1.00 0.00 C ATOM 621 CD LYS A 44 5.194 14.443 -2.221 1.00 0.00 C ATOM 622 CE LYS A 44 5.523 13.662 -3.484 1.00 0.00 C ATOM 623 NZ LYS A 44 6.679 14.251 -4.215 1.00 0.00 N ATOM 0 H LYS A 44 3.094 12.702 0.957 1.00 0.00 H new ATOM 0 HA LYS A 44 1.398 14.847 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.211 15.571 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.882 14.909 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.743 13.024 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.562 13.072 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.780 15.415 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.109 14.631 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.747 12.628 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.651 13.644 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.237 13.490 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.331 14.894 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.277 14.781 -3.549 1.00 0.00 H new ATOM 637 N ALA A 45 1.245 12.377 -1.726 1.00 0.00 N ATOM 638 CA ALA A 45 0.563 11.858 -2.905 1.00 0.00 C ATOM 639 C ALA A 45 -0.927 11.673 -2.641 1.00 0.00 C ATOM 640 O ALA A 45 -1.732 11.631 -3.571 1.00 0.00 O ATOM 641 CB ALA A 45 1.191 10.543 -3.342 1.00 0.00 C ATOM 0 H ALA A 45 1.725 11.669 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 45 0.675 12.586 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.672 10.167 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.242 10.704 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.110 9.815 -2.535 1.00 0.00 H new ATOM 647 N GLY A 46 -1.288 11.562 -1.366 1.00 0.00 N ATOM 648 CA GLY A 46 -2.682 11.382 -1.003 1.00 0.00 C ATOM 649 C GLY A 46 -2.995 9.956 -0.595 1.00 0.00 C ATOM 650 O GLY A 46 -4.027 9.405 -0.979 1.00 0.00 O ATOM 0 H GLY A 46 -0.641 11.593 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.930 12.054 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.313 11.662 -1.846 1.00 0.00 H new ATOM 654 N VAL A 47 -2.101 9.355 0.184 1.00 0.00 N ATOM 655 CA VAL A 47 -2.287 7.984 0.644 1.00 0.00 C ATOM 656 C VAL A 47 -2.417 7.927 2.162 1.00 0.00 C ATOM 657 O VAL A 47 -1.720 8.640 2.884 1.00 0.00 O ATOM 658 CB VAL A 47 -1.118 7.082 0.206 1.00 0.00 C ATOM 659 CG1 VAL A 47 -1.322 5.661 0.709 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.967 7.104 -1.307 1.00 0.00 C ATOM 0 H VAL A 47 -1.241 9.796 0.510 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.208 7.619 0.189 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.199 7.469 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.486 5.039 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.377 5.665 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.250 5.260 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.136 6.461 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.885 6.743 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.771 8.124 -1.638 1.00 0.00 H new ATOM 670 N LYS A 48 -3.315 7.073 2.642 1.00 0.00 N ATOM 671 CA LYS A 48 -3.537 6.919 4.074 1.00 0.00 C ATOM 672 C LYS A 48 -3.763 5.455 4.436 1.00 0.00 C ATOM 673 O LYS A 48 -4.151 4.650 3.590 1.00 0.00 O ATOM 674 CB LYS A 48 -4.738 7.756 4.518 1.00 0.00 C ATOM 675 CG LYS A 48 -4.603 9.234 4.194 1.00 0.00 C ATOM 676 CD LYS A 48 -5.961 9.897 4.035 1.00 0.00 C ATOM 677 CE LYS A 48 -5.880 11.397 4.277 1.00 0.00 C ATOM 678 NZ LYS A 48 -5.525 12.140 3.037 1.00 0.00 N ATOM 0 H LYS A 48 -3.901 6.476 2.059 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.645 7.270 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.637 7.368 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.874 7.639 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.045 9.732 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.028 9.355 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.344 9.709 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.669 9.452 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.837 11.756 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.137 11.601 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.480 13.158 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.600 11.815 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.247 11.966 2.309 1.00 0.00 H new ATOM 692 N GLU A 49 -3.520 5.117 5.699 1.00 0.00 N ATOM 693 CA GLU A 49 -3.698 3.749 6.171 1.00 0.00 C ATOM 694 C GLU A 49 -5.054 3.197 5.740 1.00 0.00 C ATOM 695 O GLU A 49 -6.088 3.832 5.945 1.00 0.00 O ATOM 696 CB GLU A 49 -3.572 3.691 7.695 1.00 0.00 C ATOM 697 CG GLU A 49 -2.216 4.143 8.211 1.00 0.00 C ATOM 698 CD GLU A 49 -2.289 4.726 9.609 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.707 3.999 10.535 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.927 5.909 9.777 1.00 0.00 O ATOM 0 H GLU A 49 -3.200 5.771 6.413 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.916 3.134 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.347 4.315 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.756 2.669 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.530 3.296 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.803 4.888 7.532 1.00 0.00 H new ATOM 707 N GLY A 50 -5.040 2.010 5.142 1.00 0.00 N ATOM 708 CA GLY A 50 -6.274 1.393 4.691 1.00 0.00 C ATOM 709 C GLY A 50 -6.474 1.523 3.194 1.00 0.00 C ATOM 710 O GLY A 50 -7.513 2.003 2.739 1.00 0.00 O ATOM 0 H GLY A 50 -4.197 1.465 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.270 0.338 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.116 1.852 5.208 1.00 0.00 H new ATOM 714 N ASP A 51 -5.477 1.097 2.426 1.00 0.00 N ATOM 715 CA ASP A 51 -5.548 1.169 0.971 1.00 0.00 C ATOM 716 C ASP A 51 -5.027 -0.118 0.338 1.00 0.00 C ATOM 717 O ASP A 51 -3.828 -0.394 0.366 1.00 0.00 O ATOM 718 CB ASP A 51 -4.746 2.366 0.459 1.00 0.00 C ATOM 719 CG ASP A 51 -5.576 3.632 0.389 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.994 4.127 1.456 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.808 4.128 -0.733 1.00 0.00 O ATOM 0 H ASP A 51 -4.610 0.698 2.787 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.593 1.295 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.890 2.532 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.352 2.138 -0.531 1.00 0.00 H new ATOM 726 N ARG A 52 -5.937 -0.901 -0.232 1.00 0.00 N ATOM 727 CA ARG A 52 -5.570 -2.159 -0.871 1.00 0.00 C ATOM 728 C ARG A 52 -5.056 -1.920 -2.287 1.00 0.00 C ATOM 729 O ARG A 52 -5.670 -1.190 -3.066 1.00 0.00 O ATOM 730 CB ARG A 52 -6.770 -3.107 -0.905 1.00 0.00 C ATOM 731 CG ARG A 52 -6.469 -4.447 -1.556 1.00 0.00 C ATOM 732 CD ARG A 52 -7.622 -5.423 -1.384 1.00 0.00 C ATOM 733 NE ARG A 52 -8.701 -5.169 -2.335 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.655 -4.265 -2.141 1.00 0.00 C ATOM 735 NH1 ARG A 52 -9.663 -3.532 -1.035 1.00 0.00 N ATOM 736 NH2 ARG A 52 -10.602 -4.091 -3.053 1.00 0.00 N ATOM 0 H ARG A 52 -6.934 -0.686 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.772 -2.616 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.117 -3.277 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.587 -2.626 -1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.271 -4.300 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.565 -4.870 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.257 -6.442 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.010 -5.350 -0.368 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.723 -5.716 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.936 -3.662 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.396 -2.838 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.599 -4.652 -3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.334 -3.396 -2.902 1.00 0.00 H new ATOM 750 N ILE A 53 -3.926 -2.539 -2.614 1.00 0.00 N ATOM 751 CA ILE A 53 -3.331 -2.394 -3.936 1.00 0.00 C ATOM 752 C ILE A 53 -3.812 -3.491 -4.879 1.00 0.00 C ATOM 753 O ILE A 53 -3.924 -4.654 -4.489 1.00 0.00 O ATOM 754 CB ILE A 53 -1.792 -2.430 -3.868 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.278 -1.358 -2.904 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.196 -2.234 -5.253 1.00 0.00 C ATOM 757 CD1 ILE A 53 0.043 -1.711 -2.257 1.00 0.00 C ATOM 0 H ILE A 53 -3.405 -3.146 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.647 -1.424 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.482 -3.406 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.169 -0.417 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.023 -1.194 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.108 -2.262 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.541 -3.030 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.511 -1.270 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.346 -0.907 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.065 -2.635 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.801 -1.846 -3.028 1.00 0.00 H new ATOM 769 N ILE A 54 -4.093 -3.114 -6.122 1.00 0.00 N ATOM 770 CA ILE A 54 -4.559 -4.067 -7.122 1.00 0.00 C ATOM 771 C ILE A 54 -3.503 -4.297 -8.197 1.00 0.00 C ATOM 772 O ILE A 54 -3.292 -5.424 -8.645 1.00 0.00 O ATOM 773 CB ILE A 54 -5.861 -3.589 -7.791 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.000 -3.547 -6.771 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.221 -4.497 -8.958 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.214 -2.783 -7.250 1.00 0.00 C ATOM 0 H ILE A 54 -4.006 -2.156 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.751 -5.004 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.705 -2.581 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.296 -4.567 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.635 -3.092 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.144 -4.146 -9.421 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.417 -4.480 -9.694 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.361 -5.516 -8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.981 -2.795 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.933 -1.752 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.604 -3.250 -8.154 1.00 0.00 H new ATOM 788 N LYS A 55 -2.838 -3.222 -8.605 1.00 0.00 N ATOM 789 CA LYS A 55 -1.800 -3.305 -9.625 1.00 0.00 C ATOM 790 C LYS A 55 -0.548 -2.549 -9.190 1.00 0.00 C ATOM 791 O LYS A 55 -0.625 -1.587 -8.427 1.00 0.00 O ATOM 792 CB LYS A 55 -2.314 -2.741 -10.952 1.00 0.00 C ATOM 793 CG LYS A 55 -1.653 -3.358 -12.172 1.00 0.00 C ATOM 794 CD LYS A 55 -1.856 -2.502 -13.410 1.00 0.00 C ATOM 795 CE LYS A 55 -3.222 -2.742 -14.036 1.00 0.00 C ATOM 796 NZ LYS A 55 -3.624 -1.624 -14.934 1.00 0.00 N ATOM 0 H LYS A 55 -3.000 -2.282 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.541 -4.355 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.390 -2.901 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.151 -1.663 -10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.586 -3.482 -11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.064 -4.353 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.755 -1.449 -13.146 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.077 -2.724 -14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.204 -3.674 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.966 -2.861 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.560 -1.825 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.666 -0.739 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.927 -1.526 -15.700 1.00 0.00 H new ATOM 810 N VAL A 56 0.605 -2.991 -9.683 1.00 0.00 N ATOM 811 CA VAL A 56 1.873 -2.355 -9.347 1.00 0.00 C ATOM 812 C VAL A 56 2.854 -2.436 -10.511 1.00 0.00 C ATOM 813 O VAL A 56 3.326 -3.515 -10.865 1.00 0.00 O ATOM 814 CB VAL A 56 2.514 -3.002 -8.105 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.798 -2.279 -7.728 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.534 -3.007 -6.941 1.00 0.00 C ATOM 0 H VAL A 56 0.687 -3.787 -10.316 1.00 0.00 H new ATOM 0 HA VAL A 56 1.655 -1.309 -9.131 1.00 0.00 H new ATOM 0 HB VAL A 56 2.764 -4.036 -8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.236 -2.750 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.503 -2.333 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.576 -1.235 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.004 -3.468 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.250 -1.983 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.645 -3.574 -7.216 1.00 0.00 H new ATOM 826 N ASN A 57 3.156 -1.285 -11.104 1.00 0.00 N ATOM 827 CA ASN A 57 4.081 -1.225 -12.230 1.00 0.00 C ATOM 828 C ASN A 57 3.650 -2.179 -13.340 1.00 0.00 C ATOM 829 O ASN A 57 4.483 -2.720 -14.066 1.00 0.00 O ATOM 830 CB ASN A 57 5.500 -1.568 -11.770 1.00 0.00 C ATOM 831 CG ASN A 57 6.247 -0.355 -11.248 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.186 0.725 -11.835 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.957 -0.530 -10.140 1.00 0.00 N ATOM 0 H ASN A 57 2.774 -0.382 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 57 4.069 -0.209 -12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.452 -2.326 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.054 -2.002 -12.602 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.481 0.249 -9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.978 -1.444 -9.687 1.00 0.00 H new ATOM 840 N GLY A 58 2.342 -2.381 -13.465 1.00 0.00 N ATOM 841 CA GLY A 58 1.822 -3.269 -14.488 1.00 0.00 C ATOM 842 C GLY A 58 1.801 -4.717 -14.042 1.00 0.00 C ATOM 843 O GLY A 58 1.675 -5.627 -14.863 1.00 0.00 O ATOM 0 H GLY A 58 1.633 -1.945 -12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.811 -2.959 -14.754 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.431 -3.178 -15.388 1.00 0.00 H new ATOM 847 N THR A 59 1.928 -4.935 -12.737 1.00 0.00 N ATOM 848 CA THR A 59 1.926 -6.283 -12.183 1.00 0.00 C ATOM 849 C THR A 59 0.694 -6.520 -11.317 1.00 0.00 C ATOM 850 O THR A 59 0.334 -5.682 -10.491 1.00 0.00 O ATOM 851 CB THR A 59 3.189 -6.547 -11.342 1.00 0.00 C ATOM 852 OG1 THR A 59 4.359 -6.216 -12.099 1.00 0.00 O ATOM 853 CG2 THR A 59 3.256 -8.004 -10.908 1.00 0.00 C ATOM 0 H THR A 59 2.034 -4.195 -12.044 1.00 0.00 H new ATOM 0 HA THR A 59 1.911 -6.971 -13.028 1.00 0.00 H new ATOM 0 HB THR A 59 3.143 -5.921 -10.451 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.527 -5.253 -12.037 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.156 -8.166 -10.316 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.379 -8.246 -10.308 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.281 -8.645 -11.789 1.00 0.00 H new ATOM 861 N MET A 60 0.052 -7.668 -11.511 1.00 0.00 N ATOM 862 CA MET A 60 -1.139 -8.015 -10.745 1.00 0.00 C ATOM 863 C MET A 60 -0.766 -8.756 -9.465 1.00 0.00 C ATOM 864 O MET A 60 -0.444 -9.944 -9.494 1.00 0.00 O ATOM 865 CB MET A 60 -2.082 -8.875 -11.589 1.00 0.00 C ATOM 866 CG MET A 60 -3.287 -9.390 -10.819 1.00 0.00 C ATOM 867 SD MET A 60 -4.624 -9.930 -11.903 1.00 0.00 S ATOM 868 CE MET A 60 -5.884 -8.716 -11.517 1.00 0.00 C ATOM 0 H MET A 60 0.337 -8.373 -12.191 1.00 0.00 H new ATOM 0 HA MET A 60 -1.647 -7.090 -10.473 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.428 -8.291 -12.441 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.527 -9.724 -11.989 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.980 -10.222 -10.185 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.654 -8.604 -10.159 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.776 -8.917 -12.110 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.132 -8.773 -10.457 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.511 -7.718 -11.749 1.00 0.00 H new ATOM 878 N VAL A 61 -0.809 -8.046 -8.341 1.00 0.00 N ATOM 879 CA VAL A 61 -0.476 -8.637 -7.051 1.00 0.00 C ATOM 880 C VAL A 61 -1.705 -8.722 -6.151 1.00 0.00 C ATOM 881 O VAL A 61 -1.619 -8.507 -4.942 1.00 0.00 O ATOM 882 CB VAL A 61 0.619 -7.829 -6.330 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.717 -7.431 -7.304 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.021 -6.603 -5.657 1.00 0.00 C ATOM 0 H VAL A 61 -1.071 -7.061 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.105 -9.642 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 61 1.062 -8.458 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.482 -6.861 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.164 -8.327 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.293 -6.819 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.809 -6.044 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.450 -5.969 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.726 -6.916 -4.927 1.00 0.00 H new ATOM 894 N THR A 62 -2.849 -9.036 -6.750 1.00 0.00 N ATOM 895 CA THR A 62 -4.096 -9.149 -6.005 1.00 0.00 C ATOM 896 C THR A 62 -4.077 -10.361 -5.081 1.00 0.00 C ATOM 897 O THR A 62 -4.775 -10.393 -4.068 1.00 0.00 O ATOM 898 CB THR A 62 -5.308 -9.257 -6.949 1.00 0.00 C ATOM 899 OG1 THR A 62 -5.030 -10.193 -7.997 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.649 -7.902 -7.550 1.00 0.00 C ATOM 0 H THR A 62 -2.938 -9.217 -7.750 1.00 0.00 H new ATOM 0 HA THR A 62 -4.190 -8.242 -5.408 1.00 0.00 H new ATOM 0 HB THR A 62 -6.163 -9.604 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.806 -10.258 -8.592 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.508 -8.004 -8.213 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.888 -7.200 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.795 -7.530 -8.117 1.00 0.00 H new ATOM 908 N ASN A 63 -3.272 -11.358 -5.436 1.00 0.00 N ATOM 909 CA ASN A 63 -3.161 -12.573 -4.638 1.00 0.00 C ATOM 910 C ASN A 63 -1.718 -12.810 -4.204 1.00 0.00 C ATOM 911 O ASN A 63 -1.462 -13.333 -3.120 1.00 0.00 O ATOM 912 CB ASN A 63 -3.672 -13.777 -5.431 1.00 0.00 C ATOM 913 CG ASN A 63 -2.607 -14.367 -6.335 1.00 0.00 C ATOM 914 OD1 ASN A 63 -2.514 -14.020 -7.513 1.00 0.00 O ATOM 915 ND2 ASN A 63 -1.796 -15.265 -5.787 1.00 0.00 N ATOM 0 H ASN A 63 -2.687 -11.348 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.773 -12.448 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.022 -14.543 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.529 -13.475 -6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.060 -15.696 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.909 -15.523 -4.807 1.00 0.00 H new ATOM 922 N SER A 64 -0.777 -12.420 -5.059 1.00 0.00 N ATOM 923 CA SER A 64 0.641 -12.593 -4.767 1.00 0.00 C ATOM 924 C SER A 64 0.945 -12.225 -3.318 1.00 0.00 C ATOM 925 O SER A 64 0.180 -11.507 -2.674 1.00 0.00 O ATOM 926 CB SER A 64 1.486 -11.735 -5.711 1.00 0.00 C ATOM 927 OG SER A 64 1.759 -12.424 -6.918 1.00 0.00 O ATOM 0 H SER A 64 -0.972 -11.982 -5.959 1.00 0.00 H new ATOM 0 HA SER A 64 0.893 -13.643 -4.918 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.961 -10.805 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.422 -11.465 -5.223 1.00 0.00 H new ATOM 0 HG SER A 64 2.299 -11.854 -7.505 1.00 0.00 H new ATOM 933 N SER A 65 2.068 -12.723 -2.811 1.00 0.00 N ATOM 934 CA SER A 65 2.473 -12.451 -1.436 1.00 0.00 C ATOM 935 C SER A 65 2.962 -11.014 -1.289 1.00 0.00 C ATOM 936 O SER A 65 3.152 -10.305 -2.278 1.00 0.00 O ATOM 937 CB SER A 65 3.574 -13.423 -1.005 1.00 0.00 C ATOM 938 OG SER A 65 3.646 -13.517 0.407 1.00 0.00 O ATOM 0 H SER A 65 2.714 -13.317 -3.331 1.00 0.00 H new ATOM 0 HA SER A 65 1.604 -12.589 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.380 -14.408 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.534 -13.089 -1.400 1.00 0.00 H new ATOM 0 HG SER A 65 4.355 -14.145 0.657 1.00 0.00 H new ATOM 944 N HIS A 66 3.163 -10.589 -0.045 1.00 0.00 N ATOM 945 CA HIS A 66 3.630 -9.235 0.234 1.00 0.00 C ATOM 946 C HIS A 66 5.053 -9.035 -0.280 1.00 0.00 C ATOM 947 O HIS A 66 5.334 -8.078 -1.003 1.00 0.00 O ATOM 948 CB HIS A 66 3.573 -8.953 1.735 1.00 0.00 C ATOM 949 CG HIS A 66 4.551 -7.912 2.187 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.821 -8.215 2.631 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.440 -6.565 2.259 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.448 -7.099 2.959 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.632 -6.083 2.742 1.00 0.00 N ATOM 0 H HIS A 66 3.010 -11.162 0.785 1.00 0.00 H new ATOM 0 HA HIS A 66 2.974 -8.536 -0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.565 -8.631 1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.764 -9.879 2.278 1.00 0.00 H new ATOM 0 HD1 HIS A 66 6.215 -9.154 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.575 -5.978 1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.456 -7.029 3.340 1.00 0.00 H new ATOM 962 N LEU A 67 5.947 -9.942 0.099 1.00 0.00 N ATOM 963 CA LEU A 67 7.341 -9.864 -0.322 1.00 0.00 C ATOM 964 C LEU A 67 7.444 -9.694 -1.834 1.00 0.00 C ATOM 965 O LEU A 67 8.276 -8.933 -2.327 1.00 0.00 O ATOM 966 CB LEU A 67 8.097 -11.121 0.114 1.00 0.00 C ATOM 967 CG LEU A 67 8.497 -11.186 1.588 1.00 0.00 C ATOM 968 CD1 LEU A 67 8.758 -12.625 2.007 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.723 -10.322 1.846 1.00 0.00 C ATOM 0 H LEU A 67 5.731 -10.740 0.697 1.00 0.00 H new ATOM 0 HA LEU A 67 7.791 -8.993 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.479 -11.990 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.000 -11.206 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 67 7.672 -10.799 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.042 -12.652 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.854 -13.217 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.565 -13.039 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.994 -10.380 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.554 -10.679 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.500 -9.287 1.585 1.00 0.00 H new ATOM 981 N GLU A 68 6.592 -10.406 -2.565 1.00 0.00 N ATOM 982 CA GLU A 68 6.587 -10.331 -4.021 1.00 0.00 C ATOM 983 C GLU A 68 6.397 -8.892 -4.492 1.00 0.00 C ATOM 984 O GLU A 68 7.079 -8.431 -5.407 1.00 0.00 O ATOM 985 CB GLU A 68 5.480 -11.218 -4.595 1.00 0.00 C ATOM 986 CG GLU A 68 5.681 -12.698 -4.319 1.00 0.00 C ATOM 987 CD GLU A 68 6.526 -13.381 -5.377 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.714 -13.022 -5.510 1.00 0.00 O ATOM 989 OE2 GLU A 68 5.998 -14.274 -6.071 1.00 0.00 O ATOM 0 H GLU A 68 5.897 -11.041 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 68 7.552 -10.687 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.523 -10.906 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.423 -11.062 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.156 -12.821 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.709 -13.188 -4.264 1.00 0.00 H new ATOM 996 N VAL A 69 5.464 -8.188 -3.859 1.00 0.00 N ATOM 997 CA VAL A 69 5.183 -6.801 -4.212 1.00 0.00 C ATOM 998 C VAL A 69 6.396 -5.913 -3.958 1.00 0.00 C ATOM 999 O VAL A 69 6.838 -5.178 -4.842 1.00 0.00 O ATOM 1000 CB VAL A 69 3.983 -6.252 -3.418 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.723 -4.797 -3.780 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.746 -7.101 -3.667 1.00 0.00 C ATOM 0 H VAL A 69 4.890 -8.555 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 69 4.942 -6.787 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 69 4.221 -6.300 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.872 -4.427 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.605 -4.201 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.506 -4.720 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.908 -6.699 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.503 -7.087 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.939 -8.126 -3.352 1.00 0.00 H new ATOM 1012 N VAL A 70 6.932 -5.986 -2.743 1.00 0.00 N ATOM 1013 CA VAL A 70 8.096 -5.190 -2.372 1.00 0.00 C ATOM 1014 C VAL A 70 9.120 -5.154 -3.501 1.00 0.00 C ATOM 1015 O VAL A 70 9.586 -4.086 -3.899 1.00 0.00 O ATOM 1016 CB VAL A 70 8.769 -5.739 -1.101 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.081 -5.017 -0.837 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.834 -5.615 0.093 1.00 0.00 C ATOM 0 H VAL A 70 6.578 -6.588 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 70 7.739 -4.179 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 70 8.988 -6.796 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.542 -5.419 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.753 -5.162 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.890 -3.952 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.326 -6.008 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.582 -4.566 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.923 -6.182 -0.098 1.00 0.00 H new ATOM 1028 N LYS A 71 9.467 -6.329 -4.015 1.00 0.00 N ATOM 1029 CA LYS A 71 10.434 -6.434 -5.101 1.00 0.00 C ATOM 1030 C LYS A 71 10.134 -5.418 -6.198 1.00 0.00 C ATOM 1031 O LYS A 71 11.023 -4.692 -6.646 1.00 0.00 O ATOM 1032 CB LYS A 71 10.425 -7.849 -5.685 1.00 0.00 C ATOM 1033 CG LYS A 71 11.278 -8.834 -4.905 1.00 0.00 C ATOM 1034 CD LYS A 71 11.311 -10.197 -5.577 1.00 0.00 C ATOM 1035 CE LYS A 71 10.027 -10.973 -5.326 1.00 0.00 C ATOM 1036 NZ LYS A 71 9.982 -11.542 -3.951 1.00 0.00 N ATOM 0 H LYS A 71 9.092 -7.223 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 71 11.423 -6.221 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.398 -8.214 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.780 -7.810 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.293 -8.447 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.885 -8.935 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.458 -10.072 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.161 -10.768 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.170 -10.316 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.941 -11.779 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.256 -12.285 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.909 -11.949 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.749 -10.790 -3.272 1.00 0.00 H new ATOM 1050 N LEU A 72 8.877 -5.370 -6.626 1.00 0.00 N ATOM 1051 CA LEU A 72 8.459 -4.441 -7.670 1.00 0.00 C ATOM 1052 C LEU A 72 8.550 -2.998 -7.183 1.00 0.00 C ATOM 1053 O LEU A 72 8.819 -2.085 -7.964 1.00 0.00 O ATOM 1054 CB LEU A 72 7.029 -4.752 -8.114 1.00 0.00 C ATOM 1055 CG LEU A 72 6.786 -6.163 -8.652 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.311 -6.523 -8.557 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.273 -6.278 -10.089 1.00 0.00 C ATOM 0 H LEU A 72 8.130 -5.964 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 72 9.131 -4.561 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.363 -4.588 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.746 -4.036 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 72 7.352 -6.866 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.157 -7.530 -8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.993 -6.482 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.725 -5.815 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.092 -7.289 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.736 -5.564 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.341 -6.063 -10.130 1.00 0.00 H new ATOM 1069 N ILE A 73 8.326 -2.801 -5.888 1.00 0.00 N ATOM 1070 CA ILE A 73 8.386 -1.470 -5.297 1.00 0.00 C ATOM 1071 C ILE A 73 9.800 -0.901 -5.366 1.00 0.00 C ATOM 1072 O ILE A 73 9.997 0.260 -5.725 1.00 0.00 O ATOM 1073 CB ILE A 73 7.921 -1.484 -3.829 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.426 -1.799 -3.748 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.224 -0.150 -3.165 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.990 -2.316 -2.395 1.00 0.00 C ATOM 0 H ILE A 73 8.101 -3.546 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 73 7.714 -0.837 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 73 8.466 -2.264 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.860 -0.898 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.177 -2.539 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.889 -0.175 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.298 0.036 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.702 0.647 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.919 -2.518 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.529 -3.235 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.207 -1.568 -1.632 1.00 0.00 H new ATOM 1088 N LYS A 74 10.781 -1.727 -5.020 1.00 0.00 N ATOM 1089 CA LYS A 74 12.178 -1.310 -5.044 1.00 0.00 C ATOM 1090 C LYS A 74 12.845 -1.718 -6.353 1.00 0.00 C ATOM 1091 O LYS A 74 13.836 -2.449 -6.354 1.00 0.00 O ATOM 1092 CB LYS A 74 12.934 -1.919 -3.862 1.00 0.00 C ATOM 1093 CG LYS A 74 12.903 -3.437 -3.836 1.00 0.00 C ATOM 1094 CD LYS A 74 14.068 -4.006 -3.044 1.00 0.00 C ATOM 1095 CE LYS A 74 14.226 -5.500 -3.279 1.00 0.00 C ATOM 1096 NZ LYS A 74 13.335 -6.299 -2.393 1.00 0.00 N ATOM 0 H LYS A 74 10.634 -2.691 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 74 12.208 -0.223 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.971 -1.586 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.506 -1.539 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.964 -3.775 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.934 -3.820 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.987 -3.493 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.913 -3.818 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.002 -5.729 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.263 -5.787 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.612 -7.301 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.420 -5.956 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.350 -6.199 -2.710 1.00 0.00 H new ATOM 1110 N SER A 75 12.297 -1.242 -7.466 1.00 0.00 N ATOM 1111 CA SER A 75 12.838 -1.560 -8.782 1.00 0.00 C ATOM 1112 C SER A 75 13.238 -0.289 -9.526 1.00 0.00 C ATOM 1113 O SER A 75 14.245 -0.262 -10.234 1.00 0.00 O ATOM 1114 CB SER A 75 11.812 -2.343 -9.603 1.00 0.00 C ATOM 1115 OG SER A 75 12.288 -2.587 -10.915 1.00 0.00 O ATOM 0 H SER A 75 11.478 -0.634 -7.483 1.00 0.00 H new ATOM 0 HA SER A 75 13.727 -2.175 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.594 -3.290 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.877 -1.785 -9.650 1.00 0.00 H new ATOM 0 HG SER A 75 11.615 -3.090 -11.419 1.00 0.00 H new ATOM 1121 N GLY A 76 12.442 0.762 -9.361 1.00 0.00 N ATOM 1122 CA GLY A 76 12.729 2.022 -10.022 1.00 0.00 C ATOM 1123 C GLY A 76 12.581 3.211 -9.094 1.00 0.00 C ATOM 1124 O GLY A 76 12.267 3.051 -7.915 1.00 0.00 O ATOM 0 H GLY A 76 11.603 0.764 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.744 1.998 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.058 2.143 -10.873 1.00 0.00 H new ATOM 1128 N ALA A 77 12.810 4.407 -9.627 1.00 0.00 N ATOM 1129 CA ALA A 77 12.701 5.628 -8.838 1.00 0.00 C ATOM 1130 C ALA A 77 11.375 5.679 -8.087 1.00 0.00 C ATOM 1131 O ALA A 77 11.346 5.867 -6.870 1.00 0.00 O ATOM 1132 CB ALA A 77 12.851 6.849 -9.732 1.00 0.00 C ATOM 0 H ALA A 77 13.072 4.556 -10.601 1.00 0.00 H new ATOM 0 HA ALA A 77 13.505 5.629 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.767 7.754 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.826 6.826 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.067 6.844 -10.489 1.00 0.00 H new ATOM 1138 N TYR A 78 10.279 5.512 -8.819 1.00 0.00 N ATOM 1139 CA TYR A 78 8.949 5.543 -8.222 1.00 0.00 C ATOM 1140 C TYR A 78 8.179 4.265 -8.541 1.00 0.00 C ATOM 1141 O TYR A 78 8.649 3.415 -9.298 1.00 0.00 O ATOM 1142 CB TYR A 78 8.170 6.760 -8.724 1.00 0.00 C ATOM 1143 CG TYR A 78 8.265 6.965 -10.219 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.638 6.093 -11.101 1.00 0.00 C ATOM 1145 CD2 TYR A 78 8.982 8.030 -10.750 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.722 6.276 -12.467 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.070 8.222 -12.115 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.439 7.342 -12.969 1.00 0.00 C ATOM 1149 OH TYR A 78 8.526 7.529 -14.330 1.00 0.00 O ATOM 0 H TYR A 78 10.285 5.354 -9.827 1.00 0.00 H new ATOM 0 HA TYR A 78 9.065 5.615 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.122 6.650 -8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.541 7.652 -8.219 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.075 5.258 -10.711 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.479 8.720 -10.084 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.229 5.588 -13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.630 9.056 -12.511 1.00 0.00 H new ATOM 0 HH TYR A 78 9.066 8.325 -14.517 1.00 0.00 H new ATOM 1159 N VAL A 79 6.991 4.136 -7.958 1.00 0.00 N ATOM 1160 CA VAL A 79 6.154 2.964 -8.181 1.00 0.00 C ATOM 1161 C VAL A 79 4.680 3.348 -8.257 1.00 0.00 C ATOM 1162 O VAL A 79 4.185 4.115 -7.432 1.00 0.00 O ATOM 1163 CB VAL A 79 6.343 1.919 -7.065 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.017 2.522 -5.707 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.485 0.692 -7.333 1.00 0.00 C ATOM 0 H VAL A 79 6.587 4.829 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 79 6.464 2.530 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 79 7.388 1.608 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.156 1.769 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.679 3.367 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.982 2.863 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.631 -0.036 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.435 0.983 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.773 0.248 -8.286 1.00 0.00 H new ATOM 1175 N ALA A 80 3.985 2.808 -9.253 1.00 0.00 N ATOM 1176 CA ALA A 80 2.567 3.092 -9.436 1.00 0.00 C ATOM 1177 C ALA A 80 1.704 2.065 -8.712 1.00 0.00 C ATOM 1178 O ALA A 80 1.641 0.901 -9.109 1.00 0.00 O ATOM 1179 CB ALA A 80 2.222 3.124 -10.918 1.00 0.00 C ATOM 0 H ALA A 80 4.381 2.172 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 80 2.359 4.071 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.160 3.337 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.807 3.901 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.452 2.157 -11.366 1.00 0.00 H new ATOM 1185 N LEU A 81 1.040 2.503 -7.647 1.00 0.00 N ATOM 1186 CA LEU A 81 0.180 1.621 -6.866 1.00 0.00 C ATOM 1187 C LEU A 81 -1.292 1.943 -7.105 1.00 0.00 C ATOM 1188 O LEU A 81 -1.695 3.107 -7.088 1.00 0.00 O ATOM 1189 CB LEU A 81 0.506 1.745 -5.377 1.00 0.00 C ATOM 1190 CG LEU A 81 1.952 1.448 -4.979 1.00 0.00 C ATOM 1191 CD1 LEU A 81 2.233 1.951 -3.572 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.238 -0.043 -5.082 1.00 0.00 C ATOM 0 H LEU A 81 1.081 3.463 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 81 0.365 0.596 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.263 2.758 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.148 1.070 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 81 2.613 1.973 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.267 1.731 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.070 3.028 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.564 1.456 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.272 -0.236 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.569 -0.589 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.079 -0.374 -6.108 1.00 0.00 H new ATOM 1204 N THR A 82 -2.092 0.905 -7.326 1.00 0.00 N ATOM 1205 CA THR A 82 -3.519 1.077 -7.568 1.00 0.00 C ATOM 1206 C THR A 82 -4.324 0.838 -6.296 1.00 0.00 C ATOM 1207 O THR A 82 -4.626 -0.304 -5.946 1.00 0.00 O ATOM 1208 CB THR A 82 -4.022 0.123 -8.668 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.025 -0.019 -9.686 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.313 0.641 -9.284 1.00 0.00 C ATOM 0 H THR A 82 -1.776 -0.065 -7.342 1.00 0.00 H new ATOM 0 HA THR A 82 -3.662 2.106 -7.898 1.00 0.00 H new ATOM 0 HB THR A 82 -4.219 -0.848 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.255 -0.506 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.649 -0.049 -10.058 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.078 0.721 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.138 1.623 -9.724 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.670 1.920 -5.608 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.442 1.828 -4.373 1.00 0.00 C ATOM 1220 C LEU A 83 -6.916 2.125 -4.630 1.00 0.00 C ATOM 1221 O LEU A 83 -7.255 3.038 -5.384 1.00 0.00 O ATOM 1222 CB LEU A 83 -4.889 2.798 -3.328 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.372 2.987 -3.325 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -2.935 3.782 -2.104 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -2.666 1.640 -3.367 1.00 0.00 C ATOM 0 H LEU A 83 -4.428 2.872 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.356 0.809 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.356 3.771 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.194 2.450 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.094 3.548 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.852 3.906 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.413 4.762 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.226 3.249 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.587 1.794 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.951 1.053 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.954 1.106 -4.273 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.790 1.350 -3.996 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.228 1.531 -4.153 1.00 0.00 C ATOM 1239 C LEU A 84 -9.854 2.063 -2.868 1.00 0.00 C ATOM 1240 O LEU A 84 -9.418 1.727 -1.768 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.889 0.208 -4.546 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.240 0.317 -5.253 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.467 -0.884 -6.159 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.366 0.440 -4.237 1.00 0.00 C ATOM 0 H LEU A 84 -7.527 0.590 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.392 2.262 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.205 -0.338 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.020 -0.391 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.234 1.216 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.434 -0.789 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.678 -0.928 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.452 -1.797 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.320 0.517 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.374 -0.440 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.212 1.332 -3.630 1.00 0.00 H new ATOM 1256 N GLY A 85 -10.880 2.895 -3.015 1.00 0.00 N ATOM 1257 CA GLY A 85 -11.551 3.459 -1.858 1.00 0.00 C ATOM 1258 C GLY A 85 -13.010 3.055 -1.779 1.00 0.00 C ATOM 1259 O GLY A 85 -13.768 3.254 -2.729 1.00 0.00 O ATOM 0 H GLY A 85 -11.259 3.189 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.038 3.136 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.480 4.546 -1.895 1.00 0.00 H new ATOM 1263 N SER A 86 -13.404 2.485 -0.645 1.00 0.00 N ATOM 1264 CA SER A 86 -14.781 2.047 -0.448 1.00 0.00 C ATOM 1265 C SER A 86 -15.239 2.322 0.981 1.00 0.00 C ATOM 1266 O SER A 86 -14.446 2.724 1.832 1.00 0.00 O ATOM 1267 CB SER A 86 -14.913 0.555 -0.760 1.00 0.00 C ATOM 1268 OG SER A 86 -14.452 -0.235 0.323 1.00 0.00 O ATOM 0 H SER A 86 -12.789 2.316 0.151 1.00 0.00 H new ATOM 0 HA SER A 86 -15.417 2.611 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.955 0.315 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.342 0.316 -1.657 1.00 0.00 H new ATOM 0 HG SER A 86 -14.548 -1.184 0.100 1.00 0.00 H new ATOM 1274 N SER A 87 -16.525 2.103 1.235 1.00 0.00 N ATOM 1275 CA SER A 87 -17.092 2.331 2.559 1.00 0.00 C ATOM 1276 C SER A 87 -18.084 1.230 2.922 1.00 0.00 C ATOM 1277 O SER A 87 -18.888 0.806 2.093 1.00 0.00 O ATOM 1278 CB SER A 87 -17.784 3.694 2.613 1.00 0.00 C ATOM 1279 OG SER A 87 -16.838 4.741 2.752 1.00 0.00 O ATOM 0 H SER A 87 -17.194 1.768 0.542 1.00 0.00 H new ATOM 0 HA SER A 87 -16.278 2.316 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.368 3.845 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.483 3.718 3.449 1.00 0.00 H new ATOM 0 HG SER A 87 -15.941 4.399 2.556 1.00 0.00 H new ATOM 1285 N SER A 88 -18.020 0.772 4.169 1.00 0.00 N ATOM 1286 CA SER A 88 -18.909 -0.282 4.642 1.00 0.00 C ATOM 1287 C SER A 88 -18.850 -0.401 6.162 1.00 0.00 C ATOM 1288 O SER A 88 -18.040 0.254 6.816 1.00 0.00 O ATOM 1289 CB SER A 88 -18.536 -1.620 4.000 1.00 0.00 C ATOM 1290 OG SER A 88 -17.410 -2.196 4.639 1.00 0.00 O ATOM 0 H SER A 88 -17.362 1.115 4.869 1.00 0.00 H new ATOM 0 HA SER A 88 -19.927 -0.020 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 88 -19.382 -2.304 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.321 -1.472 2.942 1.00 0.00 H new ATOM 0 HG SER A 88 -17.193 -3.051 4.212 1.00 0.00 H new ATOM 1296 N GLY A 89 -19.715 -1.244 6.718 1.00 0.00 N ATOM 1297 CA GLY A 89 -19.745 -1.434 8.156 1.00 0.00 C ATOM 1298 C GLY A 89 -19.748 -2.899 8.547 1.00 0.00 C ATOM 1299 O GLY A 89 -19.977 -3.783 7.722 1.00 0.00 O ATOM 0 H GLY A 89 -20.395 -1.798 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -18.880 -0.944 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.632 -0.950 8.565 1.00 0.00 H new ATOM 1303 N PRO A 90 -19.487 -3.172 9.834 1.00 0.00 N ATOM 1304 CA PRO A 90 -19.453 -4.539 10.362 1.00 0.00 C ATOM 1305 C PRO A 90 -20.837 -5.178 10.405 1.00 0.00 C ATOM 1306 O PRO A 90 -20.969 -6.400 10.334 1.00 0.00 O ATOM 1307 CB PRO A 90 -18.902 -4.359 11.779 1.00 0.00 C ATOM 1308 CG PRO A 90 -19.260 -2.961 12.149 1.00 0.00 C ATOM 1309 CD PRO A 90 -19.205 -2.167 10.873 1.00 0.00 C ATOM 0 HA PRO A 90 -18.853 -5.202 9.738 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -19.344 -5.077 12.470 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.823 -4.512 11.807 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -20.255 -2.917 12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -18.564 -2.562 12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -19.943 -1.365 10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -18.229 -1.704 10.730 1.00 0.00 H new ATOM 1317 N SER A 91 -21.865 -4.344 10.523 1.00 0.00 N ATOM 1318 CA SER A 91 -23.239 -4.829 10.579 1.00 0.00 C ATOM 1319 C SER A 91 -23.499 -5.854 9.479 1.00 0.00 C ATOM 1320 O SER A 91 -22.768 -5.920 8.491 1.00 0.00 O ATOM 1321 CB SER A 91 -24.220 -3.662 10.446 1.00 0.00 C ATOM 1322 OG SER A 91 -23.925 -2.639 11.381 1.00 0.00 O ATOM 0 H SER A 91 -21.773 -3.330 10.582 1.00 0.00 H new ATOM 0 HA SER A 91 -23.388 -5.312 11.545 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.175 -3.258 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.238 -4.019 10.602 1.00 0.00 H new ATOM 0 HG SER A 91 -24.565 -1.904 11.275 1.00 0.00 H new ATOM 1328 N SER A 92 -24.546 -6.653 9.659 1.00 0.00 N ATOM 1329 CA SER A 92 -24.902 -7.678 8.685 1.00 0.00 C ATOM 1330 C SER A 92 -25.041 -7.077 7.290 1.00 0.00 C ATOM 1331 O SER A 92 -25.299 -5.884 7.139 1.00 0.00 O ATOM 1332 CB SER A 92 -26.208 -8.365 9.090 1.00 0.00 C ATOM 1333 OG SER A 92 -27.272 -7.432 9.165 1.00 0.00 O ATOM 0 H SER A 92 -25.163 -6.610 10.470 1.00 0.00 H new ATOM 0 HA SER A 92 -24.102 -8.418 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 92 -26.453 -9.143 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.081 -8.855 10.055 1.00 0.00 H new ATOM 0 HG SER A 92 -28.096 -7.895 9.424 1.00 0.00 H new ATOM 1339 N GLY A 93 -24.868 -7.915 6.272 1.00 0.00 N ATOM 1340 CA GLY A 93 -24.978 -7.449 4.902 1.00 0.00 C ATOM 1341 C GLY A 93 -26.291 -7.846 4.258 1.00 0.00 C ATOM 1342 O GLY A 93 -26.834 -7.110 3.434 1.00 0.00 O ATOM 0 H GLY A 93 -24.654 -8.907 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -24.881 -6.364 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.153 -7.854 4.316 1.00 0.00 H new TER 1346 GLY A 93