USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 ASN : amide:sc= 0.375 K(o=0.88,f=-2.2!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.504 K(o=0.88,f=-0.54) USER MOD Set 2.1: A 55 THR OG1 : rot -49:sc= 1.25 USER MOD Set 2.2: A 57 SER OG : rot -79:sc= 0.39 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -122:sc= 0.63 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.565 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0.346 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.961 (180deg=0.881) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0.869 (180deg=0.578) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 25 ASN : amide:sc= 0.309 K(o=0.31,f=-0.98) USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= 1.21 (180deg=-0.827) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.62 (180deg=0.607) USER MOD Single : A 31 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.63) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.48) USER MOD Single : A 41 GLN : amide:sc= -0.357 K(o=-0.36,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= 1.16 (180deg=-0.416) USER MOD Single : A 49 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.26) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.489 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.577 -7.699 -5.190 1.00 9.67 N ATOM 2 CA MET A 1 11.365 -7.627 -3.663 1.00 10.38 C ATOM 3 C MET A 1 9.987 -8.134 -3.300 1.00 9.62 C ATOM 4 O MET A 1 9.073 -7.901 -4.100 1.00 9.62 O ATOM 5 CB MET A 1 11.637 -6.163 -3.201 1.00 13.77 C ATOM 6 CG MET A 1 11.652 -5.921 -1.623 1.00 16.29 C ATOM 7 SD MET A 1 12.515 -4.347 -1.164 1.00 17.17 S ATOM 8 CE MET A 1 11.253 -3.194 -1.402 1.00 16.11 C ATOM 0 H1 MET A 1 12.576 -7.511 -5.411 1.00 9.67 H new ATOM 0 H2 MET A 1 11.319 -8.647 -5.532 1.00 9.67 H new ATOM 0 H3 MET A 1 10.979 -6.988 -5.657 1.00 9.67 H new ATOM 0 HA MET A 1 12.063 -8.276 -3.135 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.598 -5.847 -3.607 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.878 -5.517 -3.641 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.628 -5.893 -1.252 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.146 -6.760 -1.133 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.622 -2.196 -1.165 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.926 -3.222 -2.441 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.413 -3.434 -0.750 1.00 16.11 H new ATOM 20 N GLN A 2 9.832 -8.858 -2.194 1.00 9.27 N ATOM 21 CA GLN A 2 8.585 -9.445 -1.677 1.00 9.07 C ATOM 22 C GLN A 2 8.172 -8.683 -0.386 1.00 8.72 C ATOM 23 O GLN A 2 8.900 -8.559 0.557 1.00 8.22 O ATOM 24 CB GLN A 2 8.819 -10.926 -1.208 1.00 14.46 C ATOM 25 CG GLN A 2 7.483 -11.669 -0.959 1.00 17.01 C ATOM 26 CD GLN A 2 7.721 -13.061 -0.378 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.896 -13.260 0.815 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.876 -14.053 -1.285 1.00 19.49 N ATOM 0 H GLN A 2 10.626 -9.068 -1.589 1.00 9.27 H new ATOM 0 HA GLN A 2 7.840 -9.390 -2.470 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.396 -11.459 -1.963 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.412 -10.928 -0.293 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.864 -11.088 -0.275 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.931 -11.753 -1.895 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.725 -13.866 -2.276 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.144 -14.988 -0.977 1.00 19.49 H new ATOM 37 N ILE A 3 6.869 -8.209 -0.235 1.00 5.87 N ATOM 38 CA ILE A 3 6.432 -7.379 0.858 1.00 5.07 C ATOM 39 C ILE A 3 4.997 -7.722 1.219 1.00 4.01 C ATOM 40 O ILE A 3 4.395 -8.528 0.545 1.00 4.61 O ATOM 41 CB ILE A 3 6.542 -5.764 0.711 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.647 -5.123 -0.331 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.048 -5.327 0.598 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.561 -3.613 -0.123 1.00 10.83 C ATOM 0 H ILE A 3 6.126 -8.422 -0.900 1.00 5.87 H new ATOM 0 HA ILE A 3 7.159 -7.622 1.633 1.00 5.07 H new ATOM 0 HB ILE A 3 6.128 -5.360 1.635 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.034 -5.335 -1.328 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.649 -5.559 -0.277 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.106 -4.243 0.500 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.586 -5.640 1.493 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.498 -5.795 -0.278 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.913 -3.177 -0.884 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.151 -3.405 0.865 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.557 -3.177 -0.202 1.00 10.83 H new ATOM 56 N PHE A 4 4.418 -7.236 2.321 1.00 4.55 N ATOM 57 CA PHE A 4 3.171 -7.723 2.856 1.00 4.68 C ATOM 58 C PHE A 4 2.237 -6.589 3.154 1.00 5.30 C ATOM 59 O PHE A 4 2.630 -5.704 3.893 1.00 5.58 O ATOM 60 CB PHE A 4 3.311 -8.542 4.158 1.00 4.83 C ATOM 61 CG PHE A 4 4.252 -9.682 4.049 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.751 -10.664 3.189 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.486 -9.765 4.649 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.496 -11.827 3.001 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.253 -10.930 4.435 1.00 10.61 C ATOM 66 CZ PHE A 4 5.760 -12.015 3.652 1.00 8.90 C ATOM 0 H PHE A 4 4.823 -6.476 2.868 1.00 4.55 H new ATOM 0 HA PHE A 4 2.784 -8.379 2.076 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.646 -7.881 4.958 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.330 -8.919 4.446 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.808 -10.525 2.682 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.858 -8.961 5.267 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.114 -12.602 2.353 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.237 -11.002 4.875 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.314 -12.937 3.554 1.00 8.90 H new ATOM 76 N VAL A 5 1.007 -6.600 2.627 1.00 4.44 N ATOM 77 CA VAL A 5 0.057 -5.611 2.992 1.00 3.87 C ATOM 78 C VAL A 5 -0.913 -6.368 3.976 1.00 4.93 C ATOM 79 O VAL A 5 -1.257 -7.530 3.755 1.00 6.84 O ATOM 80 CB VAL A 5 -0.588 -4.968 1.814 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.755 -4.135 2.202 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.583 -4.226 1.137 1.00 9.13 C ATOM 0 H VAL A 5 0.673 -7.289 1.953 1.00 4.44 H new ATOM 0 HA VAL A 5 0.498 -4.744 3.485 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.052 -5.664 1.114 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.194 -3.686 1.311 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.499 -4.759 2.698 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.430 -3.348 2.883 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.221 -3.710 0.247 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.004 -3.499 1.832 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.353 -4.944 0.853 1.00 9.13 H new ATOM 92 N LYS A 6 -1.262 -5.756 5.132 1.00 6.04 N ATOM 93 CA LYS A 6 -2.158 -6.471 6.074 1.00 6.12 C ATOM 94 C LYS A 6 -3.460 -5.633 6.229 1.00 6.57 C ATOM 95 O LYS A 6 -3.434 -4.524 6.718 1.00 5.76 O ATOM 96 CB LYS A 6 -1.602 -6.753 7.494 1.00 7.45 C ATOM 97 CG LYS A 6 -0.478 -7.870 7.569 1.00 11.12 C ATOM 98 CD LYS A 6 -0.976 -9.338 7.552 1.00 14.54 C ATOM 99 CE LYS A 6 -1.299 -9.981 8.923 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.302 -11.412 8.800 1.00 20.55 N ATOM 0 H LYS A 6 -0.960 -4.827 5.425 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.305 -7.455 5.628 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.198 -5.825 7.899 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.430 -7.049 8.139 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.203 -7.729 6.730 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.101 -7.714 8.479 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.873 -9.385 6.935 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.218 -9.948 7.061 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.561 -9.672 9.663 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.270 -9.635 9.278 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.228 -11.784 9.092 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.119 -11.676 7.811 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.560 -11.814 9.408 1.00 20.55 H new ATOM 114 N THR A 7 -4.617 -6.138 5.713 1.00 7.41 N ATOM 115 CA THR A 7 -5.934 -5.516 5.948 1.00 7.48 C ATOM 116 C THR A 7 -6.442 -5.285 7.362 1.00 8.75 C ATOM 117 O THR A 7 -5.763 -5.550 8.325 1.00 8.58 O ATOM 118 CB THR A 7 -6.979 -6.222 5.131 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.403 -7.522 5.662 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.403 -6.621 3.752 1.00 9.17 C ATOM 0 H THR A 7 -4.654 -6.976 5.132 1.00 7.41 H new ATOM 0 HA THR A 7 -5.744 -4.490 5.633 1.00 7.48 H new ATOM 0 HB THR A 7 -7.803 -5.509 5.116 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.083 -7.910 5.073 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.171 -7.132 3.171 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.080 -5.726 3.220 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.551 -7.287 3.892 1.00 9.17 H new ATOM 128 N LEU A 8 -7.586 -4.658 7.587 1.00 9.84 N ATOM 129 CA LEU A 8 -8.098 -4.308 8.909 1.00 14.15 C ATOM 130 C LEU A 8 -8.533 -5.577 9.556 1.00 17.37 C ATOM 131 O LEU A 8 -8.522 -5.698 10.799 1.00 17.01 O ATOM 132 CB LEU A 8 -9.240 -3.306 8.947 1.00 16.63 C ATOM 133 CG LEU A 8 -8.857 -1.896 8.384 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.216 -1.118 8.233 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.814 -1.247 9.298 1.00 18.59 C ATOM 0 H LEU A 8 -8.207 -4.368 6.831 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.286 -3.801 9.431 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.078 -3.701 8.373 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.582 -3.196 9.976 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.372 -1.916 7.408 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.022 -0.119 7.842 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.869 -1.656 7.546 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.700 -1.039 9.206 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.547 -0.265 8.906 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.227 -1.137 10.301 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.924 -1.875 9.339 1.00 18.59 H new ATOM 147 N THR A 9 -9.043 -6.592 8.798 1.00 18.33 N ATOM 148 CA THR A 9 -9.358 -7.918 9.360 1.00 19.24 C ATOM 149 C THR A 9 -8.162 -8.893 9.343 1.00 19.48 C ATOM 150 O THR A 9 -8.231 -10.008 9.867 1.00 23.14 O ATOM 151 CB THR A 9 -10.445 -8.604 8.613 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.158 -8.759 7.217 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.792 -7.893 8.822 1.00 19.70 C ATOM 0 H THR A 9 -9.240 -6.506 7.801 1.00 18.33 H new ATOM 0 HA THR A 9 -9.653 -7.696 10.385 1.00 19.24 H new ATOM 0 HB THR A 9 -10.513 -9.610 9.027 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.905 -9.217 6.778 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.570 -8.415 8.265 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.043 -7.894 9.883 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.720 -6.865 8.467 1.00 19.70 H new ATOM 161 N GLY A 10 -7.005 -8.436 8.810 1.00 19.43 N ATOM 162 CA GLY A 10 -5.704 -9.070 9.041 1.00 18.74 C ATOM 163 C GLY A 10 -5.233 -9.949 7.891 1.00 17.62 C ATOM 164 O GLY A 10 -4.397 -10.795 8.173 1.00 19.74 O ATOM 0 H GLY A 10 -6.957 -7.614 8.207 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.960 -8.294 9.221 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.761 -9.673 9.947 1.00 18.74 H new ATOM 168 N LYS A 11 -5.839 -9.907 6.691 1.00 13.56 N ATOM 169 CA LYS A 11 -5.552 -10.778 5.587 1.00 11.91 C ATOM 170 C LYS A 11 -4.230 -10.352 5.014 1.00 10.18 C ATOM 171 O LYS A 11 -4.019 -9.182 4.689 1.00 9.10 O ATOM 172 CB LYS A 11 -6.681 -10.758 4.510 1.00 13.43 C ATOM 173 CG LYS A 11 -6.537 -11.714 3.303 1.00 16.69 C ATOM 174 CD LYS A 11 -7.775 -11.638 2.347 1.00 17.92 C ATOM 175 CE LYS A 11 -7.580 -12.470 1.124 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.805 -12.236 0.251 1.00 21.93 N ATOM 0 H LYS A 11 -6.570 -9.229 6.477 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.502 -11.811 5.933 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.624 -10.985 5.008 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.760 -9.741 4.125 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.633 -11.464 2.747 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.418 -12.736 3.662 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.666 -11.974 2.878 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.949 -10.601 2.058 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.668 -12.184 0.600 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.482 -13.524 1.382 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.676 -12.714 -0.664 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.648 -12.618 0.726 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.929 -11.216 0.094 1.00 21.93 H new ATOM 190 N THR A 12 -3.310 -11.352 4.958 1.00 9.63 N ATOM 191 CA THR A 12 -2.068 -11.141 4.331 1.00 9.85 C ATOM 192 C THR A 12 -2.197 -11.073 2.826 1.00 11.66 C ATOM 193 O THR A 12 -2.176 -12.056 2.120 1.00 12.33 O ATOM 194 CB THR A 12 -0.951 -12.139 4.656 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.797 -12.432 6.028 1.00 10.91 O ATOM 196 CG2 THR A 12 0.387 -11.544 4.095 1.00 9.63 C ATOM 0 H THR A 12 -3.444 -12.285 5.347 1.00 9.63 H new ATOM 0 HA THR A 12 -1.766 -10.185 4.758 1.00 9.85 H new ATOM 0 HB THR A 12 -1.220 -13.088 4.192 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.067 -13.075 6.145 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.208 -12.229 4.308 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.300 -11.406 3.017 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.585 -10.583 4.569 1.00 9.63 H new ATOM 204 N ILE A 13 -2.011 -9.849 2.266 1.00 10.42 N ATOM 205 CA ILE A 13 -1.686 -9.793 0.827 1.00 11.84 C ATOM 206 C ILE A 13 -0.203 -9.825 0.670 1.00 10.55 C ATOM 207 O ILE A 13 0.473 -9.169 1.471 1.00 11.92 O ATOM 208 CB ILE A 13 -2.279 -8.560 0.124 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.507 -7.948 0.797 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.589 -8.870 -1.356 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.943 -6.598 0.235 1.00 16.46 C ATOM 0 H ILE A 13 -2.075 -8.953 2.750 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.140 -10.659 0.346 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.500 -7.802 0.201 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.338 -8.648 0.708 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.300 -7.832 1.861 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.007 -7.984 -1.833 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.671 -9.158 -1.867 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.308 -9.687 -1.414 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.821 -6.245 0.776 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.133 -5.878 0.349 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.187 -6.706 -0.822 1.00 16.46 H new ATOM 223 N THR A 14 0.368 -10.620 -0.300 1.00 9.39 N ATOM 224 CA THR A 14 1.807 -10.656 -0.534 1.00 9.63 C ATOM 225 C THR A 14 1.970 -9.942 -1.865 1.00 11.20 C ATOM 226 O THR A 14 1.360 -10.349 -2.830 1.00 11.63 O ATOM 227 CB THR A 14 2.443 -12.010 -0.773 1.00 10.38 C ATOM 228 OG1 THR A 14 2.261 -12.796 0.424 1.00 16.30 O ATOM 229 CG2 THR A 14 3.985 -11.891 -1.135 1.00 11.66 C ATOM 0 H THR A 14 -0.168 -11.232 -0.915 1.00 9.39 H new ATOM 0 HA THR A 14 2.278 -10.247 0.360 1.00 9.63 H new ATOM 0 HB THR A 14 1.964 -12.488 -1.628 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.662 -13.681 0.298 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.398 -12.886 -1.298 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.101 -11.297 -2.042 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.515 -11.408 -0.314 1.00 11.66 H new ATOM 237 N LEU A 15 2.756 -8.864 -1.905 1.00 8.29 N ATOM 238 CA LEU A 15 2.960 -8.129 -3.087 1.00 9.03 C ATOM 239 C LEU A 15 4.433 -8.413 -3.487 1.00 8.59 C ATOM 240 O LEU A 15 5.366 -8.319 -2.717 1.00 7.79 O ATOM 241 CB LEU A 15 2.842 -6.617 -2.928 1.00 11.08 C ATOM 242 CG LEU A 15 1.476 -6.209 -2.256 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.556 -4.711 -2.097 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.248 -6.541 -3.096 1.00 15.27 C ATOM 0 H LEU A 15 3.258 -8.500 -1.095 1.00 8.29 H new ATOM 0 HA LEU A 15 2.199 -8.429 -3.807 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.670 -6.249 -2.323 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.924 -6.140 -3.905 1.00 11.08 H new ATOM 0 HG LEU A 15 1.354 -6.761 -1.324 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.640 -4.345 -1.634 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.408 -4.457 -1.466 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.678 -4.247 -3.076 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.651 -6.229 -2.565 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.307 -6.016 -4.049 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.210 -7.615 -3.275 1.00 15.27 H new ATOM 256 N GLU A 16 4.506 -8.480 -4.829 1.00 11.04 N ATOM 257 CA GLU A 16 5.739 -8.397 -5.580 1.00 11.50 C ATOM 258 C GLU A 16 6.006 -6.988 -6.016 1.00 10.13 C ATOM 259 O GLU A 16 5.218 -6.243 -6.645 1.00 9.83 O ATOM 260 CB GLU A 16 5.674 -9.425 -6.786 1.00 17.22 C ATOM 261 CG GLU A 16 6.968 -9.353 -7.600 1.00 23.33 C ATOM 262 CD GLU A 16 6.955 -10.405 -8.690 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.002 -11.637 -8.393 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.801 -10.072 -9.916 1.00 28.90 O ATOM 0 H GLU A 16 3.683 -8.596 -5.420 1.00 11.04 H new ATOM 0 HA GLU A 16 6.585 -8.674 -4.951 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.528 -10.436 -6.406 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.820 -9.198 -7.424 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.075 -8.362 -8.041 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.827 -9.505 -6.947 1.00 23.33 H new ATOM 271 N VAL A 17 7.113 -6.358 -5.556 1.00 8.99 N ATOM 272 CA VAL A 17 7.444 -4.958 -5.770 1.00 8.85 C ATOM 273 C VAL A 17 8.930 -4.745 -6.114 1.00 8.04 C ATOM 274 O VAL A 17 9.781 -5.612 -6.014 1.00 8.99 O ATOM 275 CB VAL A 17 7.184 -4.062 -4.582 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.704 -4.140 -4.110 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.136 -4.408 -3.393 1.00 10.54 C ATOM 0 H VAL A 17 7.819 -6.845 -5.005 1.00 8.99 H new ATOM 0 HA VAL A 17 6.786 -4.689 -6.597 1.00 8.85 H new ATOM 0 HB VAL A 17 7.384 -3.042 -4.910 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.560 -3.481 -3.254 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.046 -3.830 -4.922 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.467 -5.164 -3.823 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.925 -3.746 -2.553 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.977 -5.443 -3.089 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.172 -4.277 -3.706 1.00 10.54 H new ATOM 287 N GLU A 18 9.230 -3.555 -6.587 1.00 7.29 N ATOM 288 CA GLU A 18 10.603 -3.016 -6.715 1.00 7.08 C ATOM 289 C GLU A 18 10.658 -1.864 -5.712 1.00 6.45 C ATOM 290 O GLU A 18 9.665 -1.214 -5.517 1.00 5.28 O ATOM 291 CB GLU A 18 10.965 -2.421 -8.101 1.00 10.28 C ATOM 292 CG GLU A 18 10.859 -3.435 -9.238 1.00 12.65 C ATOM 293 CD GLU A 18 11.688 -4.709 -9.064 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.936 -4.602 -8.921 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.094 -5.813 -9.008 1.00 18.17 O ATOM 0 H GLU A 18 8.516 -2.901 -6.908 1.00 7.29 H new ATOM 0 HA GLU A 18 11.302 -3.837 -6.555 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.305 -1.579 -8.311 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.981 -2.029 -8.066 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.812 -3.716 -9.354 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.163 -2.948 -10.165 1.00 12.65 H new ATOM 302 N PRO A 19 11.817 -1.518 -5.088 1.00 7.24 N ATOM 303 CA PRO A 19 11.877 -0.436 -4.117 1.00 7.07 C ATOM 304 C PRO A 19 11.562 0.922 -4.750 1.00 6.65 C ATOM 305 O PRO A 19 11.228 1.893 -4.068 1.00 6.37 O ATOM 306 CB PRO A 19 13.264 -0.488 -3.615 1.00 7.61 C ATOM 307 CG PRO A 19 14.106 -1.387 -4.487 1.00 8.16 C ATOM 308 CD PRO A 19 13.043 -2.296 -5.102 1.00 7.49 C ATOM 0 HA PRO A 19 11.137 -0.552 -3.325 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.689 0.515 -3.599 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.272 -0.855 -2.589 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.655 -0.827 -5.244 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.841 -1.948 -3.909 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.313 -2.586 -6.117 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.932 -3.215 -4.527 1.00 7.49 H new ATOM 316 N SER A 20 11.597 0.934 -6.074 1.00 6.80 N ATOM 317 CA SER A 20 11.301 2.072 -6.875 1.00 6.28 C ATOM 318 C SER A 20 9.855 2.082 -7.302 1.00 8.45 C ATOM 319 O SER A 20 9.436 2.993 -8.020 1.00 7.26 O ATOM 320 CB SER A 20 12.100 2.175 -8.199 1.00 8.57 C ATOM 321 OG SER A 20 13.462 2.344 -7.972 1.00 11.13 O ATOM 0 H SER A 20 11.844 0.111 -6.624 1.00 6.80 H new ATOM 0 HA SER A 20 11.569 2.901 -6.220 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.940 1.274 -8.791 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.723 3.013 -8.786 1.00 8.57 H new ATOM 0 HG SER A 20 13.932 2.403 -8.830 1.00 11.13 H new ATOM 327 N ASP A 21 8.984 1.100 -6.901 1.00 7.50 N ATOM 328 CA ASP A 21 7.557 1.220 -7.161 1.00 7.70 C ATOM 329 C ASP A 21 6.972 2.397 -6.358 1.00 7.08 C ATOM 330 O ASP A 21 7.220 2.582 -5.168 1.00 8.11 O ATOM 331 CB ASP A 21 6.830 -0.052 -6.730 1.00 11.00 C ATOM 332 CG ASP A 21 6.871 -1.092 -7.868 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.654 -0.773 -9.048 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.083 -2.278 -7.522 1.00 14.36 O ATOM 0 H ASP A 21 9.260 0.249 -6.412 1.00 7.50 H new ATOM 0 HA ASP A 21 7.421 1.385 -8.230 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.296 -0.462 -5.834 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.796 0.179 -6.474 1.00 11.00 H new ATOM 339 N THR A 22 6.194 3.290 -6.989 1.00 5.37 N ATOM 340 CA THR A 22 5.361 4.328 -6.399 1.00 6.01 C ATOM 341 C THR A 22 4.238 3.790 -5.488 1.00 8.01 C ATOM 342 O THR A 22 3.730 2.701 -5.716 1.00 8.11 O ATOM 343 CB THR A 22 4.688 5.323 -7.394 1.00 8.92 C ATOM 344 OG1 THR A 22 3.883 4.610 -8.327 1.00 10.22 O ATOM 345 CG2 THR A 22 5.865 5.998 -8.200 1.00 9.65 C ATOM 0 H THR A 22 6.132 3.298 -8.007 1.00 5.37 H new ATOM 0 HA THR A 22 6.110 4.869 -5.821 1.00 6.01 H new ATOM 0 HB THR A 22 4.068 6.043 -6.859 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.463 5.242 -8.947 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.454 6.709 -8.917 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.526 6.520 -7.509 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.428 5.231 -8.732 1.00 9.65 H new ATOM 353 N ILE A 23 3.769 4.571 -4.483 1.00 8.32 N ATOM 354 CA ILE A 23 2.620 4.143 -3.738 1.00 9.92 C ATOM 355 C ILE A 23 1.350 3.906 -4.592 1.00 10.01 C ATOM 356 O ILE A 23 0.509 3.020 -4.285 1.00 8.71 O ATOM 357 CB ILE A 23 2.502 5.049 -2.496 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.729 5.000 -1.609 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.261 4.694 -1.658 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.115 3.644 -0.947 1.00 12.30 C ATOM 0 H ILE A 23 4.170 5.464 -4.197 1.00 8.32 H new ATOM 0 HA ILE A 23 2.753 3.126 -3.370 1.00 9.92 H new ATOM 0 HB ILE A 23 2.406 6.063 -2.883 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.580 5.333 -2.203 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.591 5.730 -0.812 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.208 5.351 -0.790 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.364 4.820 -2.264 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.331 3.658 -1.325 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.014 3.776 -0.345 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.298 3.305 -0.310 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.303 2.901 -1.722 1.00 12.30 H new ATOM 372 N GLU A 24 1.237 4.708 -5.707 1.00 9.54 N ATOM 373 CA GLU A 24 0.259 4.511 -6.740 1.00 11.81 C ATOM 374 C GLU A 24 0.352 3.140 -7.498 1.00 11.14 C ATOM 375 O GLU A 24 -0.708 2.598 -7.702 1.00 10.62 O ATOM 376 CB GLU A 24 0.316 5.680 -7.720 1.00 19.24 C ATOM 377 CG GLU A 24 -0.776 5.612 -8.837 1.00 27.76 C ATOM 378 CD GLU A 24 -0.883 6.900 -9.726 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.147 7.290 -10.356 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.946 7.536 -9.712 1.00 36.51 O ATOM 0 H GLU A 24 1.848 5.507 -5.877 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.707 4.475 -6.236 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.202 6.613 -7.168 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.301 5.705 -8.187 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.565 4.758 -9.481 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.743 5.428 -8.370 1.00 27.76 H new ATOM 387 N ASN A 25 1.534 2.635 -7.709 1.00 9.43 N ATOM 388 CA ASN A 25 1.790 1.263 -8.202 1.00 10.96 C ATOM 389 C ASN A 25 1.310 0.230 -7.230 1.00 9.68 C ATOM 390 O ASN A 25 0.755 -0.847 -7.554 1.00 9.33 O ATOM 391 CB ASN A 25 3.272 1.072 -8.527 1.00 16.78 C ATOM 392 CG ASN A 25 3.785 1.749 -9.863 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.949 2.402 -10.535 1.00 25.66 O ATOM 394 ND2 ASN A 25 5.107 1.576 -10.184 1.00 24.70 N ATOM 0 H ASN A 25 2.390 3.164 -7.545 1.00 9.43 H new ATOM 0 HA ASN A 25 1.221 1.129 -9.122 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.859 1.464 -7.696 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.476 0.003 -8.584 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.485 1.997 -11.033 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.712 1.027 -9.574 1.00 24.70 H new ATOM 401 N VAL A 26 1.537 0.526 -5.956 1.00 6.52 N ATOM 402 CA VAL A 26 1.258 -0.414 -4.885 1.00 5.53 C ATOM 403 C VAL A 26 -0.232 -0.678 -4.742 1.00 4.42 C ATOM 404 O VAL A 26 -0.649 -1.813 -4.790 1.00 3.40 O ATOM 405 CB VAL A 26 1.869 -0.066 -3.508 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.654 -1.279 -2.634 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.364 0.190 -3.498 1.00 8.12 C ATOM 0 H VAL A 26 1.917 1.419 -5.641 1.00 6.52 H new ATOM 0 HA VAL A 26 1.769 -1.322 -5.206 1.00 5.53 H new ATOM 0 HB VAL A 26 1.388 0.856 -3.180 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.067 -1.091 -1.643 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.586 -1.482 -2.549 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.153 -2.140 -3.078 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.686 0.425 -2.483 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.888 -0.699 -3.849 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.594 1.029 -4.155 1.00 8.12 H new ATOM 417 N LYS A 27 -1.067 0.455 -4.739 1.00 2.64 N ATOM 418 CA LYS A 27 -2.517 0.260 -4.758 1.00 4.14 C ATOM 419 C LYS A 27 -3.043 -0.386 -6.102 1.00 5.58 C ATOM 420 O LYS A 27 -4.094 -1.094 -6.136 1.00 4.11 O ATOM 421 CB LYS A 27 -3.265 1.543 -4.487 1.00 3.97 C ATOM 422 CG LYS A 27 -2.831 2.224 -3.154 1.00 7.45 C ATOM 423 CD LYS A 27 -3.281 3.665 -2.983 1.00 9.02 C ATOM 424 CE LYS A 27 -2.798 4.692 -4.018 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.318 6.000 -3.684 1.00 15.47 N ATOM 0 H LYS A 27 -0.749 1.424 -4.724 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.717 -0.445 -3.951 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.102 2.235 -5.313 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.334 1.335 -4.452 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.222 1.638 -2.322 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.744 2.190 -3.085 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.371 3.678 -2.981 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.957 4.003 -1.999 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.708 4.717 -4.039 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.129 4.402 -5.015 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.597 6.722 -3.884 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.167 6.192 -4.253 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.565 6.028 -2.674 1.00 15.47 H new ATOM 439 N ALA A 28 -2.278 -0.201 -7.185 1.00 6.61 N ATOM 440 CA ALA A 28 -2.624 -0.865 -8.424 1.00 7.74 C ATOM 441 C ALA A 28 -2.460 -2.358 -8.341 1.00 9.17 C ATOM 442 O ALA A 28 -3.245 -3.210 -8.790 1.00 11.45 O ATOM 443 CB ALA A 28 -1.859 -0.231 -9.615 1.00 7.68 C ATOM 0 H ALA A 28 -1.444 0.385 -7.220 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.687 -0.707 -8.605 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.132 -0.744 -10.537 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.120 0.824 -9.695 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.786 -0.327 -9.451 1.00 7.68 H new ATOM 449 N LYS A 29 -1.306 -2.817 -7.703 1.00 8.96 N ATOM 450 CA LYS A 29 -1.057 -4.159 -7.318 1.00 7.90 C ATOM 451 C LYS A 29 -2.084 -4.795 -6.363 1.00 6.92 C ATOM 452 O LYS A 29 -2.573 -5.854 -6.653 1.00 6.87 O ATOM 453 CB LYS A 29 0.328 -4.329 -6.741 1.00 10.28 C ATOM 454 CG LYS A 29 1.529 -4.255 -7.703 1.00 14.94 C ATOM 455 CD LYS A 29 2.822 -4.179 -6.887 1.00 19.69 C ATOM 456 CE LYS A 29 3.979 -3.545 -7.641 1.00 22.63 C ATOM 457 NZ LYS A 29 4.475 -4.438 -8.748 1.00 24.98 N ATOM 0 H LYS A 29 -0.537 -2.192 -7.463 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.153 -4.701 -8.259 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.466 -3.565 -5.976 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.363 -5.295 -6.237 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.545 -5.131 -8.352 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.440 -3.381 -8.349 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.635 -3.608 -5.978 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.107 -5.185 -6.579 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.662 -2.589 -8.058 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.794 -3.336 -6.948 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.218 -3.946 -9.284 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.863 -5.313 -8.341 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.687 -4.672 -9.385 1.00 24.98 H new ATOM 471 N ILE A 30 -2.477 -4.072 -5.280 1.00 4.57 N ATOM 472 CA ILE A 30 -3.566 -4.496 -4.419 1.00 5.58 C ATOM 473 C ILE A 30 -4.916 -4.735 -5.057 1.00 7.26 C ATOM 474 O ILE A 30 -5.593 -5.734 -4.739 1.00 9.46 O ATOM 475 CB ILE A 30 -3.696 -3.513 -3.230 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.377 -3.477 -2.419 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.857 -3.878 -2.287 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.212 -2.276 -1.470 1.00 2.00 C ATOM 0 H ILE A 30 -2.042 -3.193 -4.999 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.272 -5.495 -4.098 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.906 -2.532 -3.656 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.307 -4.393 -1.832 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.541 -3.482 -3.119 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.903 -3.157 -1.471 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.795 -3.860 -2.841 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.695 -4.876 -1.880 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.255 -2.350 -0.953 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.243 -1.351 -2.045 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.021 -2.276 -0.739 1.00 2.00 H new ATOM 490 N GLN A 31 -5.299 -3.845 -6.031 1.00 7.06 N ATOM 491 CA GLN A 31 -6.423 -3.992 -6.900 1.00 8.67 C ATOM 492 C GLN A 31 -6.383 -5.201 -7.796 1.00 10.90 C ATOM 493 O GLN A 31 -7.334 -5.916 -7.978 1.00 9.63 O ATOM 494 CB GLN A 31 -6.532 -2.721 -7.895 1.00 9.12 C ATOM 495 CG GLN A 31 -7.497 -2.805 -9.081 1.00 10.76 C ATOM 496 CD GLN A 31 -7.399 -1.555 -9.960 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.332 -0.777 -9.986 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.257 -1.403 -10.647 1.00 14.76 N ATOM 0 H GLN A 31 -4.783 -2.983 -6.205 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.268 -4.089 -6.218 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.815 -1.855 -7.297 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.536 -2.523 -8.291 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.271 -3.690 -9.676 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.518 -2.918 -8.716 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.519 -2.103 -10.571 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.126 -0.587 -11.245 1.00 14.76 H new ATOM 507 N ASP A 32 -5.223 -5.547 -8.370 1.00 10.93 N ATOM 508 CA ASP A 32 -5.017 -6.754 -9.172 1.00 14.01 C ATOM 509 C ASP A 32 -5.193 -8.021 -8.370 1.00 14.04 C ATOM 510 O ASP A 32 -5.777 -9.033 -8.779 1.00 13.39 O ATOM 511 CB ASP A 32 -3.628 -6.889 -9.803 1.00 18.01 C ATOM 512 CG ASP A 32 -3.577 -6.140 -11.048 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.429 -6.384 -11.936 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.656 -5.337 -11.246 1.00 26.29 O ATOM 0 H ASP A 32 -4.381 -4.978 -8.285 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.773 -6.634 -9.948 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.868 -6.519 -9.114 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.404 -7.939 -9.990 1.00 18.01 H new ATOM 519 N LYS A 33 -4.639 -8.033 -7.155 1.00 14.22 N ATOM 520 CA LYS A 33 -4.766 -9.178 -6.188 1.00 14.00 C ATOM 521 C LYS A 33 -6.171 -9.339 -5.520 1.00 12.37 C ATOM 522 O LYS A 33 -6.667 -10.457 -5.516 1.00 12.17 O ATOM 523 CB LYS A 33 -3.772 -8.894 -5.064 1.00 18.62 C ATOM 524 CG LYS A 33 -2.272 -8.907 -5.505 1.00 24.00 C ATOM 525 CD LYS A 33 -1.637 -10.285 -5.591 1.00 27.61 C ATOM 526 CE LYS A 33 -0.118 -10.096 -5.950 1.00 27.64 C ATOM 527 NZ LYS A 33 0.394 -11.433 -6.319 1.00 30.06 N ATOM 0 H LYS A 33 -4.084 -7.257 -6.793 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.589 -10.094 -6.752 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.002 -7.921 -4.631 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.912 -9.634 -4.277 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.192 -8.426 -6.480 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.698 -8.303 -4.803 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.742 -10.813 -4.643 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.136 -10.888 -6.349 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.001 -9.393 -6.775 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.434 -9.689 -5.102 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.402 -11.363 -6.567 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.280 -12.083 -5.515 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.139 -11.796 -7.135 1.00 30.06 H new ATOM 541 N GLU A 34 -6.778 -8.269 -5.031 1.00 10.11 N ATOM 542 CA GLU A 34 -7.922 -8.365 -4.154 1.00 10.07 C ATOM 543 C GLU A 34 -9.237 -7.596 -4.586 1.00 9.32 C ATOM 544 O GLU A 34 -10.339 -7.736 -4.020 1.00 11.61 O ATOM 545 CB GLU A 34 -7.553 -7.737 -2.781 1.00 14.77 C ATOM 546 CG GLU A 34 -6.775 -8.660 -1.857 1.00 18.75 C ATOM 547 CD GLU A 34 -7.601 -9.876 -1.499 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.687 -9.687 -0.856 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.126 -10.990 -1.695 1.00 25.19 O ATOM 0 H GLU A 34 -6.488 -7.313 -5.234 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.144 -9.432 -4.158 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.965 -6.836 -2.954 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.470 -7.428 -2.278 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.850 -8.972 -2.341 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.495 -8.124 -0.950 1.00 18.75 H new ATOM 556 N GLY A 35 -9.163 -6.788 -5.696 1.00 7.22 N ATOM 557 CA GLY A 35 -10.284 -6.153 -6.368 1.00 6.29 C ATOM 558 C GLY A 35 -10.800 -4.893 -5.712 1.00 6.93 C ATOM 559 O GLY A 35 -11.800 -4.293 -6.142 1.00 7.41 O ATOM 0 H GLY A 35 -8.272 -6.571 -6.142 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.987 -5.916 -7.390 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.102 -6.871 -6.432 1.00 6.29 H new ATOM 563 N ILE A 36 -10.115 -4.408 -4.671 1.00 5.86 N ATOM 564 CA ILE A 36 -10.468 -3.143 -3.978 1.00 6.07 C ATOM 565 C ILE A 36 -10.142 -1.933 -4.878 1.00 6.36 C ATOM 566 O ILE A 36 -9.007 -1.908 -5.331 1.00 6.18 O ATOM 567 CB ILE A 36 -9.764 -2.948 -2.647 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.903 -4.225 -1.779 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.301 -1.675 -1.919 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.012 -4.198 -0.532 1.00 9.49 C ATOM 0 H ILE A 36 -9.298 -4.874 -4.277 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.537 -3.214 -3.775 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.701 -2.786 -2.824 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.943 -4.339 -1.474 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.650 -5.097 -2.382 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.783 -1.554 -0.968 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.125 -0.798 -2.542 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.371 -1.783 -1.739 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.153 -5.118 0.036 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.968 -4.113 -0.833 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.281 -3.344 0.089 1.00 9.49 H new ATOM 582 N PRO A 37 -11.030 -0.954 -5.267 1.00 8.65 N ATOM 583 CA PRO A 37 -10.638 0.240 -6.088 1.00 9.18 C ATOM 584 C PRO A 37 -9.457 1.089 -5.554 1.00 9.85 C ATOM 585 O PRO A 37 -9.438 1.183 -4.345 1.00 8.51 O ATOM 586 CB PRO A 37 -11.892 1.000 -6.240 1.00 11.42 C ATOM 587 CG PRO A 37 -12.993 -0.133 -6.220 1.00 9.27 C ATOM 588 CD PRO A 37 -12.519 -1.079 -5.072 1.00 8.33 C ATOM 0 HA PRO A 37 -10.216 -0.084 -7.040 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.032 1.715 -5.429 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.911 1.566 -7.171 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.985 0.274 -6.022 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.048 -0.656 -7.175 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.845 -0.743 -4.088 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.876 -2.102 -5.194 1.00 8.33 H new ATOM 596 N PRO A 38 -8.515 1.712 -6.257 1.00 8.71 N ATOM 597 CA PRO A 38 -7.288 2.257 -5.600 1.00 9.08 C ATOM 598 C PRO A 38 -7.444 3.595 -4.822 1.00 9.28 C ATOM 599 O PRO A 38 -6.503 4.017 -4.160 1.00 6.50 O ATOM 600 CB PRO A 38 -6.360 2.500 -6.786 1.00 10.31 C ATOM 601 CG PRO A 38 -6.719 1.505 -7.830 1.00 10.81 C ATOM 602 CD PRO A 38 -8.270 1.562 -7.649 1.00 12.00 C ATOM 0 HA PRO A 38 -6.954 1.557 -4.834 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.476 3.515 -7.165 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.317 2.388 -6.489 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.395 1.799 -8.828 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.303 0.516 -7.638 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.694 2.396 -8.208 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.737 0.653 -8.028 1.00 12.00 H new ATOM 610 N ASP A 39 -8.547 4.239 -4.907 1.00 11.20 N ATOM 611 CA ASP A 39 -8.852 5.470 -4.209 1.00 14.96 C ATOM 612 C ASP A 39 -9.701 5.178 -2.952 1.00 13.99 C ATOM 613 O ASP A 39 -9.945 6.005 -2.098 1.00 13.75 O ATOM 614 CB ASP A 39 -9.564 6.447 -5.103 1.00 24.16 C ATOM 615 CG ASP A 39 -8.673 6.856 -6.323 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.599 7.537 -6.107 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.058 6.545 -7.461 1.00 35.55 O ATOM 0 H ASP A 39 -9.317 3.919 -5.494 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.909 5.922 -3.904 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.494 6.005 -5.461 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.833 7.336 -4.532 1.00 24.16 H new ATOM 622 N GLN A 40 -10.198 3.907 -2.720 1.00 11.60 N ATOM 623 CA GLN A 40 -10.881 3.481 -1.565 1.00 10.76 C ATOM 624 C GLN A 40 -9.779 3.196 -0.548 1.00 8.01 C ATOM 625 O GLN A 40 -9.867 3.606 0.603 1.00 8.96 O ATOM 626 CB GLN A 40 -11.848 2.277 -1.834 1.00 11.14 C ATOM 627 CG GLN A 40 -12.600 1.769 -0.606 1.00 14.85 C ATOM 628 CD GLN A 40 -13.440 0.524 -0.723 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.088 -0.567 -0.346 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.587 0.671 -1.414 1.00 18.16 N ATOM 0 H GLN A 40 -10.096 3.159 -3.406 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.567 4.239 -1.186 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.575 2.576 -2.589 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.271 1.454 -2.255 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.866 1.597 0.181 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.251 2.573 -0.264 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.878 1.597 -1.729 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.165 -0.143 -1.622 1.00 18.16 H new ATOM 639 N GLN A 41 -8.655 2.593 -1.082 1.00 6.52 N ATOM 640 CA GLN A 41 -7.491 2.275 -0.384 1.00 3.87 C ATOM 641 C GLN A 41 -6.711 3.478 0.199 1.00 4.79 C ATOM 642 O GLN A 41 -6.374 4.387 -0.506 1.00 6.34 O ATOM 643 CB GLN A 41 -6.553 1.602 -1.438 1.00 4.20 C ATOM 644 CG GLN A 41 -7.212 0.454 -2.180 1.00 3.20 C ATOM 645 CD GLN A 41 -6.091 -0.404 -2.706 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.962 -0.423 -2.221 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.339 -1.117 -3.852 1.00 7.13 N ATOM 0 H GLN A 41 -8.603 2.330 -2.066 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.778 1.661 0.469 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.229 2.353 -2.158 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.658 1.235 -0.936 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.861 -0.117 -1.516 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.835 0.823 -2.995 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.272 -1.110 -4.265 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.591 -1.654 -4.291 1.00 7.13 H new ATOM 656 N ARG A 42 -6.344 3.332 1.523 1.00 5.73 N ATOM 657 CA ARG A 42 -5.527 4.301 2.256 1.00 6.97 C ATOM 658 C ARG A 42 -4.391 3.469 2.785 1.00 7.15 C ATOM 659 O ARG A 42 -4.683 2.520 3.526 1.00 7.33 O ATOM 660 CB ARG A 42 -6.314 5.117 3.288 1.00 13.23 C ATOM 661 CG ARG A 42 -5.480 6.215 4.087 1.00 21.27 C ATOM 662 CD ARG A 42 -6.117 6.566 5.376 1.00 26.14 C ATOM 663 NE ARG A 42 -7.241 7.502 5.086 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.181 7.695 5.999 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.090 7.285 7.295 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.328 8.339 5.660 1.00 36.39 N ATOM 0 H ARG A 42 -6.621 2.529 2.087 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.151 5.113 1.633 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.138 5.615 2.777 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.755 4.428 4.008 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.472 5.842 4.270 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.382 7.112 3.475 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.485 5.671 5.877 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.394 7.032 6.045 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.286 7.990 4.191 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.256 6.794 7.617 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.856 7.469 7.943 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.463 8.672 4.705 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.054 8.490 6.360 1.00 36.39 H new ATOM 680 N LEU A 43 -3.060 3.715 2.377 1.00 4.65 N ATOM 681 CA LEU A 43 -1.897 3.006 2.847 1.00 3.51 C ATOM 682 C LEU A 43 -1.288 3.693 4.035 1.00 5.56 C ATOM 683 O LEU A 43 -0.881 4.869 3.984 1.00 4.19 O ATOM 684 CB LEU A 43 -0.892 2.833 1.671 1.00 3.74 C ATOM 685 CG LEU A 43 -1.429 1.794 0.689 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.497 1.682 -0.468 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.759 0.364 1.292 1.00 6.41 C ATOM 0 H LEU A 43 -2.829 4.439 1.697 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.186 2.013 3.191 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.743 3.786 1.163 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.080 2.520 2.053 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.404 2.169 0.377 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.877 0.941 -1.171 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.418 2.648 -0.966 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.487 1.375 -0.114 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.132 -0.287 0.501 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.855 -0.068 1.721 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.517 0.463 2.069 1.00 6.41 H new ATOM 699 N ILE A 44 -1.157 2.952 5.150 1.00 4.58 N ATOM 700 CA ILE A 44 -0.457 3.356 6.334 1.00 5.55 C ATOM 701 C ILE A 44 0.801 2.574 6.717 1.00 5.46 C ATOM 702 O ILE A 44 0.810 1.381 6.730 1.00 6.04 O ATOM 703 CB ILE A 44 -1.420 3.383 7.649 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.789 3.994 7.380 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.754 4.159 8.849 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.896 5.528 6.998 1.00 13.90 C ATOM 0 H ILE A 44 -1.561 2.019 5.231 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.128 4.352 6.038 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.557 2.335 7.915 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.249 3.423 6.573 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.398 3.835 8.270 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.429 4.153 9.705 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.183 3.673 9.122 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.555 5.188 8.551 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.942 5.792 6.842 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.486 6.134 7.806 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.334 5.715 6.083 1.00 13.90 H new ATOM 718 N PHE A 45 1.960 3.270 7.055 1.00 6.75 N ATOM 719 CA PHE A 45 3.073 2.596 7.723 1.00 4.70 C ATOM 720 C PHE A 45 3.765 3.625 8.634 1.00 6.34 C ATOM 721 O PHE A 45 4.067 4.741 8.279 1.00 5.45 O ATOM 722 CB PHE A 45 4.011 2.081 6.597 1.00 5.51 C ATOM 723 CG PHE A 45 5.405 1.734 7.099 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.576 0.571 7.924 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.412 2.619 6.926 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.878 0.258 8.375 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.709 2.408 7.438 1.00 6.64 C ATOM 728 CZ PHE A 45 7.926 1.181 8.170 1.00 6.84 C ATOM 0 H PHE A 45 2.111 4.261 6.869 1.00 6.75 H new ATOM 0 HA PHE A 45 2.765 1.755 8.344 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.566 1.199 6.136 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.089 2.842 5.820 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.732 -0.048 8.192 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.215 3.525 6.373 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.070 -0.681 8.873 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.501 3.128 7.290 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.907 0.967 8.567 1.00 6.84 H new ATOM 738 N ALA A 46 3.896 3.202 9.880 1.00 6.53 N ATOM 739 CA ALA A 46 4.486 3.914 10.990 1.00 7.15 C ATOM 740 C ALA A 46 3.796 5.217 11.403 1.00 9.00 C ATOM 741 O ALA A 46 4.409 6.237 11.632 1.00 11.15 O ATOM 742 CB ALA A 46 5.995 4.102 10.724 1.00 8.99 C ATOM 0 H ALA A 46 3.565 2.278 10.158 1.00 6.53 H new ATOM 0 HA ALA A 46 4.331 3.286 11.868 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.447 4.639 11.558 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.470 3.127 10.620 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.134 4.673 9.806 1.00 8.99 H new ATOM 748 N GLY A 47 2.408 5.183 11.394 1.00 9.35 N ATOM 749 CA GLY A 47 1.613 6.416 11.510 1.00 11.68 C ATOM 750 C GLY A 47 1.557 7.310 10.311 1.00 11.14 C ATOM 751 O GLY A 47 1.017 8.415 10.484 1.00 13.93 O ATOM 0 H GLY A 47 1.857 4.329 11.309 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.592 6.136 11.771 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.008 6.995 12.345 1.00 11.68 H new ATOM 755 N LYS A 48 2.075 6.998 9.104 1.00 10.47 N ATOM 756 CA LYS A 48 2.189 7.865 7.972 1.00 8.82 C ATOM 757 C LYS A 48 1.268 7.274 6.897 1.00 7.68 C ATOM 758 O LYS A 48 1.440 6.150 6.417 1.00 6.47 O ATOM 759 CB LYS A 48 3.629 7.979 7.325 1.00 9.74 C ATOM 760 CG LYS A 48 4.786 8.079 8.360 1.00 14.14 C ATOM 761 CD LYS A 48 4.758 9.289 9.231 1.00 16.32 C ATOM 762 CE LYS A 48 5.984 9.487 10.163 1.00 20.04 C ATOM 763 NZ LYS A 48 6.058 8.356 11.165 1.00 23.92 N ATOM 0 H LYS A 48 2.441 6.066 8.909 1.00 10.47 H new ATOM 0 HA LYS A 48 1.939 8.867 8.319 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.799 7.110 6.689 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.657 8.857 6.680 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.761 7.194 8.995 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.734 8.060 7.823 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.666 10.169 8.594 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.861 9.247 9.848 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.899 9.521 9.572 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.905 10.441 10.684 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.048 8.745 12.129 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.241 7.725 11.037 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.936 7.819 11.018 1.00 23.92 H new ATOM 777 N GLN A 49 0.278 8.056 6.445 1.00 8.89 N ATOM 778 CA GLN A 49 -0.414 7.916 5.222 1.00 7.18 C ATOM 779 C GLN A 49 0.545 8.187 4.078 1.00 8.23 C ATOM 780 O GLN A 49 0.944 9.277 3.806 1.00 9.70 O ATOM 781 CB GLN A 49 -1.559 8.969 5.282 1.00 11.67 C ATOM 782 CG GLN A 49 -2.554 9.014 4.090 1.00 15.82 C ATOM 783 CD GLN A 49 -3.612 10.145 4.321 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.795 9.835 4.447 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.127 11.400 4.402 1.00 20.67 N ATOM 0 H GLN A 49 -0.060 8.851 6.987 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.819 6.916 5.064 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.132 8.792 6.192 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.105 9.955 5.379 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.014 9.194 3.161 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.055 8.051 3.986 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.128 11.569 4.285 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.759 12.180 4.581 1.00 20.67 H new ATOM 794 N LEU A 50 0.940 7.086 3.398 1.00 6.51 N ATOM 795 CA LEU A 50 1.907 7.189 2.330 1.00 7.41 C ATOM 796 C LEU A 50 1.414 7.985 1.155 1.00 8.27 C ATOM 797 O LEU A 50 0.274 7.907 0.681 1.00 8.34 O ATOM 798 CB LEU A 50 2.419 5.793 1.955 1.00 7.13 C ATOM 799 CG LEU A 50 2.724 4.850 3.133 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.101 3.473 2.607 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.739 5.382 4.199 1.00 9.11 C ATOM 0 H LEU A 50 0.600 6.142 3.580 1.00 6.51 H new ATOM 0 HA LEU A 50 2.755 7.767 2.697 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.678 5.315 1.315 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.326 5.907 1.362 1.00 7.13 H new ATOM 0 HG LEU A 50 1.797 4.787 3.703 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.316 2.810 3.445 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.274 3.067 2.025 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.984 3.555 1.973 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.874 4.632 4.979 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.697 5.584 3.720 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.354 6.301 4.642 1.00 9.11 H new ATOM 813 N GLU A 51 2.300 8.868 0.618 1.00 9.43 N ATOM 814 CA GLU A 51 1.954 9.752 -0.521 1.00 11.90 C ATOM 815 C GLU A 51 2.322 9.192 -1.908 1.00 11.49 C ATOM 816 O GLU A 51 3.377 8.536 -2.168 1.00 9.88 O ATOM 817 CB GLU A 51 2.723 11.094 -0.370 1.00 16.56 C ATOM 818 CG GLU A 51 2.409 12.274 -1.312 1.00 26.06 C ATOM 819 CD GLU A 51 3.371 13.324 -0.905 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.130 14.099 0.058 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.433 13.435 -1.579 1.00 32.13 O ATOM 0 H GLU A 51 3.255 8.983 0.957 1.00 9.43 H new ATOM 0 HA GLU A 51 0.870 9.860 -0.482 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.567 11.444 0.650 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.785 10.872 -0.472 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.541 11.996 -2.358 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.379 12.611 -1.199 1.00 26.06 H new ATOM 828 N ASP A 52 1.343 9.389 -2.833 1.00 12.71 N ATOM 829 CA ASP A 52 1.219 8.565 -4.038 1.00 16.56 C ATOM 830 C ASP A 52 2.418 8.676 -5.006 1.00 15.83 C ATOM 831 O ASP A 52 2.885 7.722 -5.656 1.00 17.21 O ATOM 832 CB ASP A 52 -0.065 8.992 -4.773 1.00 21.05 C ATOM 833 CG ASP A 52 -1.161 8.844 -3.806 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.351 7.717 -3.312 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.016 9.772 -3.688 1.00 28.37 O ATOM 0 H ASP A 52 0.633 10.117 -2.754 1.00 12.71 H new ATOM 0 HA ASP A 52 1.188 7.524 -3.717 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.010 10.022 -5.121 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.235 8.370 -5.652 1.00 21.05 H new ATOM 840 N GLY A 53 2.957 9.930 -5.131 1.00 15.00 N ATOM 841 CA GLY A 53 4.156 10.247 -5.910 1.00 11.77 C ATOM 842 C GLY A 53 5.515 9.868 -5.288 1.00 11.10 C ATOM 843 O GLY A 53 6.569 10.303 -5.867 1.00 11.25 O ATOM 0 H GLY A 53 2.549 10.748 -4.678 1.00 15.00 H new ATOM 0 HA2 GLY A 53 4.074 9.748 -6.876 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.160 11.319 -6.105 1.00 11.77 H new ATOM 847 N ARG A 54 5.505 9.172 -4.180 1.00 8.53 N ATOM 848 CA ARG A 54 6.745 8.766 -3.564 1.00 9.05 C ATOM 849 C ARG A 54 6.859 7.285 -3.680 1.00 8.96 C ATOM 850 O ARG A 54 5.877 6.628 -4.076 1.00 11.60 O ATOM 851 CB ARG A 54 6.810 9.260 -2.116 1.00 7.97 C ATOM 852 CG ARG A 54 6.524 10.752 -1.817 1.00 9.62 C ATOM 853 CD ARG A 54 7.055 11.228 -0.468 1.00 12.20 C ATOM 854 NE ARG A 54 6.338 12.499 -0.016 1.00 18.23 N ATOM 855 CZ ARG A 54 6.300 12.930 1.258 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.265 12.561 2.103 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.429 13.879 1.585 1.00 23.38 N ATOM 0 H ARG A 54 4.662 8.876 -3.689 1.00 8.53 H new ATOM 0 HA ARG A 54 7.598 9.215 -4.072 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.104 8.667 -1.534 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.806 9.034 -1.736 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.966 11.361 -2.605 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.447 10.919 -1.851 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.919 10.445 0.278 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.126 11.416 -0.541 1.00 12.20 H new ATOM 0 HE ARG A 54 5.858 13.055 -0.724 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.022 11.958 1.781 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.246 12.882 3.071 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.806 14.266 0.876 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.383 14.220 2.545 1.00 23.38 H new ATOM 871 N THR A 55 8.021 6.667 -3.424 1.00 9.05 N ATOM 872 CA THR A 55 8.284 5.283 -3.609 1.00 9.03 C ATOM 873 C THR A 55 8.638 4.594 -2.328 1.00 8.15 C ATOM 874 O THR A 55 8.976 5.254 -1.344 1.00 5.91 O ATOM 875 CB THR A 55 9.332 5.009 -4.702 1.00 11.15 C ATOM 876 OG1 THR A 55 10.606 5.587 -4.358 1.00 11.95 O ATOM 877 CG2 THR A 55 9.090 5.656 -6.090 1.00 11.71 C ATOM 0 H THR A 55 8.830 7.172 -3.063 1.00 9.05 H new ATOM 0 HA THR A 55 7.346 4.853 -3.962 1.00 9.03 H new ATOM 0 HB THR A 55 9.281 3.922 -4.761 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.479 6.519 -4.082 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.901 5.383 -6.765 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.144 5.300 -6.497 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.055 6.740 -5.985 1.00 11.71 H new ATOM 885 N LEU A 56 8.589 3.214 -2.214 1.00 6.91 N ATOM 886 CA LEU A 56 8.921 2.417 -1.108 1.00 8.29 C ATOM 887 C LEU A 56 10.300 2.711 -0.488 1.00 8.05 C ATOM 888 O LEU A 56 10.412 2.869 0.716 1.00 10.17 O ATOM 889 CB LEU A 56 8.824 0.884 -1.576 1.00 6.60 C ATOM 890 CG LEU A 56 7.401 0.337 -1.889 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.522 -1.125 -2.455 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.397 0.337 -0.793 1.00 8.64 C ATOM 0 H LEU A 56 8.280 2.642 -3.000 1.00 6.91 H new ATOM 0 HA LEU A 56 8.216 2.648 -0.310 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.439 0.761 -2.467 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.264 0.262 -0.796 1.00 6.60 H new ATOM 0 HG LEU A 56 7.008 1.056 -2.608 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.528 -1.513 -2.676 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.118 -1.114 -3.367 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.004 -1.763 -1.714 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.456 -0.072 -1.161 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.760 -0.275 0.033 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.238 1.358 -0.446 1.00 8.64 H new ATOM 904 N SER A 57 11.347 2.974 -1.357 1.00 8.92 N ATOM 905 CA SER A 57 12.675 3.408 -0.859 1.00 9.00 C ATOM 906 C SER A 57 12.638 4.816 -0.201 1.00 9.44 C ATOM 907 O SER A 57 13.413 5.064 0.762 1.00 10.91 O ATOM 908 CB SER A 57 13.667 3.481 -2.013 1.00 10.32 C ATOM 909 OG SER A 57 13.091 4.037 -3.202 1.00 13.59 O ATOM 0 H SER A 57 11.282 2.891 -2.372 1.00 8.92 H new ATOM 0 HA SER A 57 12.974 2.672 -0.113 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.524 4.084 -1.713 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.041 2.480 -2.229 1.00 10.32 H new ATOM 0 HG SER A 57 12.560 3.352 -3.660 1.00 13.59 H new ATOM 915 N ASP A 58 11.721 5.707 -0.535 1.00 9.11 N ATOM 916 CA ASP A 58 11.644 7.048 0.142 1.00 7.91 C ATOM 917 C ASP A 58 11.012 7.063 1.508 1.00 9.12 C ATOM 918 O ASP A 58 11.124 8.005 2.266 1.00 8.61 O ATOM 919 CB ASP A 58 10.911 8.108 -0.748 1.00 8.41 C ATOM 920 CG ASP A 58 11.434 8.150 -2.170 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.578 8.574 -2.435 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.629 7.914 -3.112 1.00 11.70 O ATOM 0 H ASP A 58 11.016 5.557 -1.257 1.00 9.11 H new ATOM 0 HA ASP A 58 12.694 7.305 0.281 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.844 7.885 -0.765 1.00 8.41 H new ATOM 0 HB3 ASP A 58 11.023 9.094 -0.296 1.00 8.41 H new ATOM 927 N TYR A 59 10.319 5.958 1.788 1.00 7.97 N ATOM 928 CA TYR A 59 9.856 5.618 3.187 1.00 8.45 C ATOM 929 C TYR A 59 10.768 4.493 3.733 1.00 10.98 C ATOM 930 O TYR A 59 10.430 3.934 4.830 1.00 12.95 O ATOM 931 CB TYR A 59 8.342 5.105 3.133 1.00 7.94 C ATOM 932 CG TYR A 59 7.309 6.117 2.781 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.207 7.203 3.642 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.603 6.180 1.532 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.462 8.364 3.291 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.847 7.339 1.159 1.00 6.52 C ATOM 937 CZ TYR A 59 5.764 8.345 2.085 1.00 6.76 C ATOM 938 OH TYR A 59 5.003 9.488 1.792 1.00 7.63 O ATOM 0 H TYR A 59 10.053 5.268 1.085 1.00 7.97 H new ATOM 0 HA TYR A 59 9.911 6.495 3.833 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.283 4.292 2.410 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.090 4.684 4.106 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.705 7.165 4.600 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.643 5.336 0.859 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.439 9.229 3.937 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.366 7.416 0.195 1.00 6.52 H new ATOM 0 HH TYR A 59 5.423 10.274 2.200 1.00 7.63 H new ATOM 948 N ASN A 60 11.818 4.065 2.969 1.00 12.38 N ATOM 949 CA ASN A 60 12.771 3.087 3.351 1.00 13.94 C ATOM 950 C ASN A 60 12.163 1.698 3.561 1.00 14.16 C ATOM 951 O ASN A 60 12.624 1.036 4.488 1.00 14.26 O ATOM 952 CB ASN A 60 13.619 3.584 4.537 1.00 19.23 C ATOM 953 CG ASN A 60 15.068 3.034 4.459 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.342 2.151 3.632 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.917 3.537 5.392 1.00 24.09 N ATOM 0 H ASN A 60 11.992 4.437 2.035 1.00 12.38 H new ATOM 0 HA ASN A 60 13.453 2.949 2.512 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.640 4.674 4.541 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.158 3.271 5.474 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.873 3.187 5.453 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.599 4.265 6.031 1.00 24.09 H new ATOM 962 N ILE A 61 11.169 1.224 2.847 1.00 11.08 N ATOM 963 CA ILE A 61 10.485 -0.038 3.085 1.00 11.78 C ATOM 964 C ILE A 61 11.110 -1.122 2.279 1.00 13.74 C ATOM 965 O ILE A 61 10.804 -1.264 1.115 1.00 14.60 O ATOM 966 CB ILE A 61 8.964 0.015 2.777 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.246 1.019 3.668 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.346 -1.319 2.861 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.884 1.457 3.136 1.00 11.42 C ATOM 0 H ILE A 61 10.793 1.728 2.044 1.00 11.08 H new ATOM 0 HA ILE A 61 10.591 -0.242 4.150 1.00 11.78 H new ATOM 0 HB ILE A 61 8.856 0.358 1.748 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.115 0.582 4.658 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.878 1.899 3.789 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.282 -1.242 2.639 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.819 -1.985 2.140 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.479 -1.719 3.866 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.436 2.172 3.826 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.008 1.925 2.159 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.233 0.588 3.042 1.00 11.42 H new ATOM 981 N GLN A 62 12.023 -1.879 2.967 1.00 13.97 N ATOM 982 CA GLN A 62 12.722 -2.991 2.381 1.00 15.52 C ATOM 983 C GLN A 62 11.990 -4.333 2.519 1.00 13.94 C ATOM 984 O GLN A 62 10.837 -4.428 2.906 1.00 12.15 O ATOM 985 CB GLN A 62 14.153 -2.969 2.951 1.00 19.53 C ATOM 986 CG GLN A 62 14.898 -1.625 2.791 1.00 26.38 C ATOM 987 CD GLN A 62 14.822 -1.029 1.375 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.761 -1.701 0.347 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.756 0.335 1.334 1.00 32.71 N ATOM 0 H GLN A 62 12.270 -1.707 3.941 1.00 13.97 H new ATOM 0 HA GLN A 62 12.764 -2.882 1.297 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.110 -3.220 4.011 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.735 -3.750 2.462 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.485 -0.906 3.499 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.945 -1.768 3.057 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.808 0.874 2.198 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.654 0.814 0.439 1.00 32.71 H new ATOM 998 N LYS A 63 12.638 -5.372 1.996 1.00 11.73 N ATOM 999 CA LYS A 63 11.997 -6.693 1.957 1.00 11.97 C ATOM 1000 C LYS A 63 11.250 -7.163 3.147 1.00 10.41 C ATOM 1001 O LYS A 63 11.653 -6.790 4.263 1.00 9.59 O ATOM 1002 CB LYS A 63 13.143 -7.674 1.614 1.00 13.73 C ATOM 1003 CG LYS A 63 14.219 -7.728 2.716 1.00 16.98 C ATOM 1004 CD LYS A 63 15.399 -8.646 2.387 1.00 20.19 C ATOM 1005 CE LYS A 63 16.506 -8.684 3.508 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.539 -9.631 3.129 1.00 25.97 N ATOM 0 H LYS A 63 13.579 -5.334 1.603 1.00 11.73 H new ATOM 0 HA LYS A 63 11.190 -6.631 1.227 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.731 -8.672 1.463 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.605 -7.374 0.673 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.594 -6.720 2.893 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.758 -8.064 3.644 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.026 -9.657 2.223 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.853 -8.318 1.452 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.937 -7.692 3.643 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.064 -8.972 4.462 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.272 -9.659 3.866 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.120 -10.577 3.021 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.966 -9.337 2.228 1.00 25.97 H new ATOM 1020 N GLU A 64 10.168 -7.909 2.970 1.00 10.04 N ATOM 1021 CA GLU A 64 9.412 -8.683 3.962 1.00 10.94 C ATOM 1022 C GLU A 64 8.851 -7.776 5.002 1.00 9.74 C ATOM 1023 O GLU A 64 8.417 -8.306 6.002 1.00 9.42 O ATOM 1024 CB GLU A 64 10.125 -9.932 4.518 1.00 18.31 C ATOM 1025 CG GLU A 64 10.425 -10.985 3.472 1.00 24.16 C ATOM 1026 CD GLU A 64 11.146 -12.188 4.057 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.278 -11.862 4.510 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.577 -13.333 4.130 1.00 32.61 O ATOM 0 H GLU A 64 9.753 -8.000 2.043 1.00 10.04 H new ATOM 0 HA GLU A 64 8.576 -9.137 3.429 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.059 -9.625 4.989 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.505 -10.375 5.298 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.493 -11.312 3.010 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.035 -10.547 2.683 1.00 24.16 H new ATOM 1035 N SER A 65 8.846 -6.461 4.798 1.00 6.85 N ATOM 1036 CA SER A 65 8.076 -5.539 5.532 1.00 6.90 C ATOM 1037 C SER A 65 6.573 -5.809 5.489 1.00 4.72 C ATOM 1038 O SER A 65 6.032 -6.249 4.502 1.00 3.91 O ATOM 1039 CB SER A 65 8.434 -4.053 5.192 1.00 7.28 C ATOM 1040 OG SER A 65 7.876 -3.115 6.167 1.00 10.56 O ATOM 0 H SER A 65 9.415 -6.018 4.076 1.00 6.85 H new ATOM 0 HA SER A 65 8.359 -5.698 6.573 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.518 -3.940 5.160 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.059 -3.808 4.198 1.00 7.28 H new ATOM 0 HG SER A 65 8.252 -2.223 6.015 1.00 10.56 H new ATOM 1046 N THR A 66 5.930 -5.580 6.677 1.00 4.48 N ATOM 1047 CA THR A 66 4.484 -5.609 6.778 1.00 3.80 C ATOM 1048 C THR A 66 4.040 -4.216 6.841 1.00 4.60 C ATOM 1049 O THR A 66 4.494 -3.449 7.695 1.00 5.33 O ATOM 1050 CB THR A 66 4.023 -6.349 7.983 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.326 -7.709 7.709 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.519 -6.342 8.217 1.00 3.40 C ATOM 0 H THR A 66 6.410 -5.378 7.554 1.00 4.48 H new ATOM 0 HA THR A 66 4.063 -6.130 5.918 1.00 3.80 H new ATOM 0 HB THR A 66 4.496 -5.885 8.848 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.050 -8.265 8.467 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.289 -6.908 9.119 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.174 -5.315 8.335 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.016 -6.798 7.364 1.00 3.40 H new ATOM 1060 N LEU A 67 3.106 -3.862 5.915 1.00 4.17 N ATOM 1061 CA LEU A 67 2.523 -2.522 5.727 1.00 3.85 C ATOM 1062 C LEU A 67 1.038 -2.674 6.087 1.00 3.80 C ATOM 1063 O LEU A 67 0.487 -3.738 6.031 1.00 5.54 O ATOM 1064 CB LEU A 67 2.753 -2.084 4.244 1.00 7.18 C ATOM 1065 CG LEU A 67 4.228 -2.019 3.772 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.271 -1.287 2.430 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.112 -1.339 4.829 1.00 11.66 C ATOM 0 H LEU A 67 2.728 -4.541 5.254 1.00 4.17 H new ATOM 0 HA LEU A 67 2.973 -1.749 6.350 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.215 -2.775 3.595 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.304 -1.101 4.103 1.00 7.18 H new ATOM 0 HG LEU A 67 4.626 -3.025 3.641 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.302 -1.230 2.079 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.669 -1.829 1.701 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.873 -0.280 2.552 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.142 -1.305 4.475 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.755 -0.324 5.004 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.067 -1.905 5.760 1.00 11.66 H new ATOM 1079 N HIS A 68 0.356 -1.608 6.543 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.079 -1.670 6.821 1.00 4.17 C ATOM 1081 C HIS A 68 -1.945 -1.236 5.607 1.00 5.32 C ATOM 1082 O HIS A 68 -1.499 -0.442 4.745 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.499 -0.742 8.064 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.237 -1.255 9.375 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.040 -1.606 9.804 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.048 -1.549 10.440 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.019 -2.014 11.028 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.252 -2.046 11.469 1.00 16.30 N ATOM 0 H HIS A 68 0.780 -0.698 6.725 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.268 -2.718 7.052 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.982 0.213 7.964 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.567 -0.536 7.988 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.119 -1.418 10.475 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.843 -2.294 11.616 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.566 -2.370 12.384 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.231 -1.662 5.538 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.225 -1.196 4.548 1.00 3.97 C ATOM 1098 C LEU A 69 -5.401 -0.807 5.380 1.00 5.07 C ATOM 1099 O LEU A 69 -5.857 -1.517 6.315 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.493 -2.292 3.461 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.645 -1.903 2.456 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.381 -0.792 1.510 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.014 -3.217 1.729 1.00 9.96 C ATOM 0 H LEU A 69 -3.610 -2.354 6.184 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.902 -0.346 3.947 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.575 -2.470 2.900 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.752 -3.229 3.955 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.466 -1.478 3.033 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.257 -0.634 0.881 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.167 0.119 2.069 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.525 -1.043 0.884 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.812 -3.024 1.012 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.139 -3.601 1.204 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.352 -3.954 2.458 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.824 0.456 5.109 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.987 1.138 5.696 1.00 6.26 C ATOM 1117 C VAL A 70 -7.955 1.376 4.606 1.00 9.22 C ATOM 1118 O VAL A 70 -7.530 1.717 3.488 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.627 2.431 6.354 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.808 3.182 7.090 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.621 1.979 7.488 1.00 8.54 C ATOM 0 H VAL A 70 -5.332 1.048 4.440 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.409 0.507 6.478 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.267 3.124 5.593 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.433 4.106 7.530 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.594 3.415 6.372 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.212 2.543 7.876 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.284 2.853 8.045 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.123 1.288 8.165 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.762 1.484 7.036 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.247 1.140 4.809 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.262 1.196 3.845 1.00 16.06 C ATOM 1133 C LEU A 71 -11.241 2.210 4.289 1.00 18.09 C ATOM 1134 O LEU A 71 -11.681 2.245 5.475 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.933 -0.188 3.708 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.109 -1.214 2.821 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.045 -2.331 2.357 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.488 -0.578 1.536 1.00 19.57 C ATOM 0 H LEU A 71 -9.605 0.889 5.731 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.858 1.467 2.870 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.074 -0.613 4.702 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.924 -0.060 3.272 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.294 -1.573 3.450 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.488 -3.042 1.746 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.458 -2.844 3.226 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.857 -1.904 1.768 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.940 -1.340 0.981 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.283 -0.174 0.909 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.807 0.224 1.820 1.00 19.57 H new