USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 170:sc= -0.16 USER MOD Set 1.2: 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+ -139:sc= 2.11 (180deg=1.46) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.185) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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= 0.477 USER MOD Single : A 25 ASN : amide:sc= 0.874 K(o=0.87,f=-0.56) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 2.3 (180deg=0.174!) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.0132 K(o=-0.013,f=-3.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.13 K(o=1.1,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= 0.941 K(o=0.94,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 57 SER OG : rot 77:sc= 0.0243 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.787 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 129:sc= -0.0571 (180deg=-0.576) USER MOD Single : A 65 SER OG : rot 57:sc= 1.56 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 11.695 -6.951 -4.394 1.00 9.67 N ATOM 2 CA MET A 1 11.424 -6.975 -2.928 1.00 10.38 C ATOM 3 C MET A 1 10.231 -7.744 -2.501 1.00 9.62 C ATOM 4 O MET A 1 9.361 -7.860 -3.358 1.00 9.62 O ATOM 5 CB MET A 1 11.432 -5.615 -2.247 1.00 13.77 C ATOM 6 CG MET A 1 12.719 -4.786 -2.366 1.00 16.29 C ATOM 7 SD MET A 1 12.870 -3.444 -1.122 1.00 17.17 S ATOM 8 CE MET A 1 11.412 -2.428 -1.136 1.00 16.11 C ATOM 0 H1 MET A 1 12.717 -7.053 -4.560 1.00 9.67 H new ATOM 0 H2 MET A 1 11.190 -7.735 -4.853 1.00 9.67 H new ATOM 0 H3 MET A 1 11.368 -6.048 -4.793 1.00 9.67 H new ATOM 0 HA MET A 1 12.296 -7.528 -2.579 1.00 10.38 H new ATOM 0 HB2 MET A 1 10.610 -5.026 -2.655 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.222 -5.765 -1.188 1.00 13.77 H new ATOM 0 HG2 MET A 1 13.577 -5.452 -2.271 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.765 -4.348 -3.363 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.513 -1.636 -0.394 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.286 -1.986 -2.124 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.541 -3.038 -0.898 1.00 16.11 H new ATOM 20 N GLN A 2 10.110 -8.265 -1.283 1.00 9.27 N ATOM 21 CA GLN A 2 8.855 -8.958 -0.807 1.00 9.07 C ATOM 22 C GLN A 2 8.265 -8.021 0.293 1.00 8.72 C ATOM 23 O GLN A 2 8.983 -7.742 1.231 1.00 8.22 O ATOM 24 CB GLN A 2 9.118 -10.296 -0.225 1.00 14.46 C ATOM 25 CG GLN A 2 7.878 -11.094 0.182 1.00 17.01 C ATOM 26 CD GLN A 2 8.205 -12.425 0.793 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.801 -13.446 0.304 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.966 -12.442 1.929 1.00 19.49 N ATOM 0 H GLN A 2 10.853 -8.234 -0.585 1.00 9.27 H new ATOM 0 HA GLN A 2 8.179 -9.126 -1.646 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.684 -10.882 -0.949 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.753 -10.173 0.652 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.295 -10.509 0.893 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.250 -11.249 -0.695 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.301 -11.567 2.331 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.199 -13.330 2.374 1.00 19.49 H new ATOM 37 N ILE A 3 6.926 -7.562 0.221 1.00 5.87 N ATOM 38 CA ILE A 3 6.310 -6.841 1.274 1.00 5.07 C ATOM 39 C ILE A 3 4.988 -7.512 1.565 1.00 4.01 C ATOM 40 O ILE A 3 4.556 -8.354 0.823 1.00 4.61 O ATOM 41 CB ILE A 3 6.136 -5.313 1.063 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.186 -4.966 -0.100 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.584 -4.755 0.963 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.066 -3.371 -0.245 1.00 10.83 C ATOM 0 H ILE A 3 6.320 -7.717 -0.585 1.00 5.87 H new ATOM 0 HA ILE A 3 6.993 -6.880 2.123 1.00 5.07 H new ATOM 0 HB ILE A 3 5.619 -4.828 1.891 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.560 -5.398 -1.028 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.202 -5.399 0.080 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.549 -3.676 0.813 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.123 -4.975 1.884 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.097 -5.222 0.122 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.394 -3.130 -1.068 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.672 -2.950 0.680 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.051 -2.949 -0.445 1.00 10.83 H new ATOM 56 N PHE A 4 4.455 -7.084 2.735 1.00 4.55 N ATOM 57 CA PHE A 4 3.240 -7.572 3.206 1.00 4.68 C ATOM 58 C PHE A 4 2.333 -6.366 3.358 1.00 5.30 C ATOM 59 O PHE A 4 2.685 -5.439 4.080 1.00 5.58 O ATOM 60 CB PHE A 4 3.372 -8.376 4.537 1.00 4.83 C ATOM 61 CG PHE A 4 4.420 -9.387 4.382 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.045 -10.540 3.771 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.710 -9.238 4.913 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.949 -11.555 3.538 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.673 -10.261 4.758 1.00 10.61 C ATOM 66 CZ PHE A 4 6.311 -11.404 4.014 1.00 8.90 C ATOM 0 H PHE A 4 4.894 -6.391 3.341 1.00 4.55 H new ATOM 0 HA PHE A 4 2.828 -8.295 2.502 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.616 -7.704 5.360 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.423 -8.852 4.785 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.018 -10.665 3.461 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.969 -8.334 5.445 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.648 -12.448 3.010 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.656 -10.171 5.196 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.047 -12.165 3.799 1.00 8.90 H new ATOM 76 N VAL A 5 1.099 -6.528 2.845 1.00 4.44 N ATOM 77 CA VAL A 5 0.003 -5.547 3.105 1.00 3.87 C ATOM 78 C VAL A 5 -1.124 -6.121 3.923 1.00 4.93 C ATOM 79 O VAL A 5 -1.733 -7.102 3.461 1.00 6.84 O ATOM 80 CB VAL A 5 -0.545 -4.857 1.811 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.884 -4.129 2.002 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.530 -3.998 1.229 1.00 9.13 C ATOM 0 H VAL A 5 0.828 -7.314 2.255 1.00 4.44 H new ATOM 0 HA VAL A 5 0.478 -4.768 3.702 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.798 -5.636 1.092 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.192 -3.679 1.058 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.642 -4.841 2.329 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.770 -3.349 2.755 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.159 -3.512 0.327 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.823 -3.240 1.955 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.394 -4.615 0.980 1.00 9.13 H new ATOM 92 N LYS A 6 -1.432 -5.631 5.160 1.00 6.04 N ATOM 93 CA LYS A 6 -2.374 -6.223 6.098 1.00 6.12 C ATOM 94 C LYS A 6 -3.772 -5.619 5.914 1.00 6.57 C ATOM 95 O LYS A 6 -3.927 -4.396 6.014 1.00 5.76 O ATOM 96 CB LYS A 6 -1.992 -6.028 7.630 1.00 7.45 C ATOM 97 CG LYS A 6 -0.625 -6.576 8.084 1.00 11.12 C ATOM 98 CD LYS A 6 -0.517 -8.130 7.912 1.00 14.54 C ATOM 99 CE LYS A 6 -1.612 -8.892 8.698 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.453 -8.572 10.154 1.00 20.55 N ATOM 0 H LYS A 6 -1.003 -4.780 5.524 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.346 -7.288 5.869 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.021 -4.962 7.854 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.765 -6.502 8.235 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.166 -6.094 7.509 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.462 -6.317 9.130 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.593 -8.381 6.854 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.465 -8.462 8.249 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.603 -8.599 8.351 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.521 -9.966 8.533 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.064 -9.199 10.716 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.461 -8.713 10.434 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.724 -7.582 10.323 1.00 20.55 H new ATOM 114 N THR A 7 -4.822 -6.411 5.690 1.00 7.41 N ATOM 115 CA THR A 7 -6.218 -6.007 5.658 1.00 7.48 C ATOM 116 C THR A 7 -6.909 -6.063 7.051 1.00 8.75 C ATOM 117 O THR A 7 -6.434 -6.567 8.040 1.00 8.58 O ATOM 118 CB THR A 7 -6.959 -6.783 4.578 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.456 -8.028 5.057 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.090 -7.055 3.318 1.00 9.17 C ATOM 0 H THR A 7 -4.708 -7.410 5.516 1.00 7.41 H new ATOM 0 HA THR A 7 -6.256 -4.951 5.391 1.00 7.48 H new ATOM 0 HB THR A 7 -7.791 -6.138 4.297 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.058 -8.419 4.389 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.675 -7.611 2.586 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.772 -6.107 2.884 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.213 -7.637 3.600 1.00 9.17 H new ATOM 128 N LEU A 8 -8.087 -5.429 7.112 1.00 9.84 N ATOM 129 CA LEU A 8 -8.819 -5.179 8.363 1.00 14.15 C ATOM 130 C LEU A 8 -9.419 -6.421 8.967 1.00 17.37 C ATOM 131 O LEU A 8 -9.582 -6.559 10.170 1.00 17.01 O ATOM 132 CB LEU A 8 -9.910 -4.092 8.210 1.00 16.63 C ATOM 133 CG LEU A 8 -9.460 -2.743 7.593 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.629 -1.973 6.971 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.661 -1.904 8.626 1.00 18.59 C ATOM 0 H LEU A 8 -8.565 -5.071 6.285 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.058 -4.812 9.052 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.712 -4.498 7.594 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.334 -3.893 9.194 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.783 -2.960 6.767 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.265 -1.035 6.552 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.080 -2.573 6.181 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.375 -1.762 7.737 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.355 -0.962 8.171 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.289 -1.701 9.494 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.777 -2.459 8.940 1.00 18.59 H new ATOM 147 N THR A 9 -9.640 -7.395 8.077 1.00 18.33 N ATOM 148 CA THR A 9 -10.112 -8.761 8.349 1.00 19.24 C ATOM 149 C THR A 9 -9.005 -9.704 8.608 1.00 19.48 C ATOM 150 O THR A 9 -9.275 -10.922 8.651 1.00 23.14 O ATOM 151 CB THR A 9 -11.036 -9.275 7.253 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.472 -9.253 5.923 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.284 -8.363 7.185 1.00 19.70 C ATOM 0 H THR A 9 -9.484 -7.242 7.081 1.00 18.33 H new ATOM 0 HA THR A 9 -10.696 -8.702 9.267 1.00 19.24 H new ATOM 0 HB THR A 9 -11.245 -10.310 7.522 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.129 -9.600 5.283 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.954 -8.721 6.403 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.802 -8.383 8.144 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.977 -7.342 6.960 1.00 19.70 H new ATOM 161 N GLY A 10 -7.820 -9.230 8.935 1.00 19.43 N ATOM 162 CA GLY A 10 -6.728 -10.133 9.299 1.00 18.74 C ATOM 163 C GLY A 10 -6.103 -10.830 8.167 1.00 17.62 C ATOM 164 O GLY A 10 -5.305 -11.759 8.373 1.00 19.74 O ATOM 0 H GLY A 10 -7.582 -8.238 8.959 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.962 -9.562 9.824 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.108 -10.876 10.000 1.00 18.74 H new ATOM 168 N LYS A 11 -6.361 -10.523 6.880 1.00 13.56 N ATOM 169 CA LYS A 11 -5.670 -11.114 5.780 1.00 11.91 C ATOM 170 C LYS A 11 -4.377 -10.368 5.455 1.00 10.18 C ATOM 171 O LYS A 11 -4.161 -9.167 5.677 1.00 9.10 O ATOM 172 CB LYS A 11 -6.563 -11.236 4.492 1.00 13.43 C ATOM 173 CG LYS A 11 -5.906 -11.921 3.272 1.00 16.69 C ATOM 174 CD LYS A 11 -6.922 -11.978 2.151 1.00 17.92 C ATOM 175 CE LYS A 11 -6.485 -12.829 0.930 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.536 -13.027 -0.084 1.00 21.93 N ATOM 0 H LYS A 11 -7.070 -9.845 6.601 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.418 -12.125 6.100 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.466 -11.789 4.751 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.877 -10.235 4.196 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.023 -11.366 2.956 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.574 -12.926 3.534 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.855 -12.381 2.544 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.130 -10.962 1.814 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.627 -12.350 0.457 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.151 -13.804 1.284 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.167 -13.619 -0.855 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.355 -13.497 0.352 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.829 -12.105 -0.465 1.00 21.93 H new ATOM 190 N THR A 12 -3.431 -10.997 4.828 1.00 9.63 N ATOM 191 CA THR A 12 -2.165 -10.421 4.414 1.00 9.85 C ATOM 192 C THR A 12 -2.085 -10.571 2.907 1.00 11.66 C ATOM 193 O THR A 12 -2.427 -11.648 2.444 1.00 12.33 O ATOM 194 CB THR A 12 -0.922 -11.187 4.849 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.845 -11.313 6.304 1.00 10.91 O ATOM 196 CG2 THR A 12 0.356 -10.539 4.398 1.00 9.63 C ATOM 0 H THR A 12 -3.515 -11.981 4.572 1.00 9.63 H new ATOM 0 HA THR A 12 -2.161 -9.417 4.839 1.00 9.85 H new ATOM 0 HB THR A 12 -1.023 -12.165 4.377 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.037 -11.811 6.547 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.205 -11.132 4.739 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.369 -10.479 3.310 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.423 -9.535 4.818 1.00 9.63 H new ATOM 204 N ILE A 13 -1.701 -9.551 2.134 1.00 10.42 N ATOM 205 CA ILE A 13 -1.367 -9.578 0.742 1.00 11.84 C ATOM 206 C ILE A 13 0.120 -9.539 0.662 1.00 10.55 C ATOM 207 O ILE A 13 0.803 -8.811 1.370 1.00 11.92 O ATOM 208 CB ILE A 13 -1.993 -8.429 -0.053 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.418 -8.192 0.578 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.170 -8.830 -1.497 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.169 -7.125 -0.153 1.00 16.46 C ATOM 0 H ILE A 13 -1.614 -8.610 2.519 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.772 -10.482 0.288 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.364 -7.540 -0.015 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.987 -9.121 0.554 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.311 -7.911 1.626 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.616 -8.005 -2.052 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.199 -9.075 -1.928 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.823 -9.701 -1.555 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.147 -6.987 0.308 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.611 -6.190 -0.106 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.297 -7.419 -1.195 1.00 16.46 H new ATOM 223 N THR A 14 0.715 -10.357 -0.281 1.00 9.39 N ATOM 224 CA THR A 14 2.218 -10.492 -0.311 1.00 9.63 C ATOM 225 C THR A 14 2.652 -10.009 -1.687 1.00 11.20 C ATOM 226 O THR A 14 2.189 -10.612 -2.628 1.00 11.63 O ATOM 227 CB THR A 14 2.727 -11.922 -0.165 1.00 10.38 C ATOM 228 OG1 THR A 14 2.284 -12.481 1.046 1.00 16.30 O ATOM 229 CG2 THR A 14 4.284 -11.910 -0.040 1.00 11.66 C ATOM 0 H THR A 14 0.214 -10.898 -0.985 1.00 9.39 H new ATOM 0 HA THR A 14 2.620 -9.926 0.530 1.00 9.63 H new ATOM 0 HB THR A 14 2.371 -12.482 -1.030 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.618 -13.399 1.124 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.649 -12.932 0.064 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.717 -11.460 -0.933 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.574 -11.330 0.836 1.00 11.66 H new ATOM 237 N LEU A 15 3.417 -8.914 -1.728 1.00 8.29 N ATOM 238 CA LEU A 15 3.491 -8.174 -2.971 1.00 9.03 C ATOM 239 C LEU A 15 4.994 -8.198 -3.420 1.00 8.59 C ATOM 240 O LEU A 15 5.908 -7.925 -2.649 1.00 7.79 O ATOM 241 CB LEU A 15 2.949 -6.710 -2.960 1.00 11.08 C ATOM 242 CG LEU A 15 1.531 -6.625 -2.474 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.008 -5.297 -2.060 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.591 -7.142 -3.537 1.00 15.27 C ATOM 0 H LEU A 15 3.965 -8.542 -0.952 1.00 8.29 H new ATOM 0 HA LEU A 15 2.816 -8.670 -3.669 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.585 -6.095 -2.323 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.010 -6.296 -3.966 1.00 11.08 H new ATOM 0 HG LEU A 15 1.567 -7.225 -1.565 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.027 -5.399 -1.735 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.610 -4.909 -1.238 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.057 -4.608 -2.903 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.436 -7.077 -3.177 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.698 -6.541 -4.440 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.832 -8.181 -3.762 1.00 15.27 H new ATOM 256 N GLU A 16 5.368 -8.498 -4.672 1.00 11.04 N ATOM 257 CA GLU A 16 6.652 -8.142 -5.175 1.00 11.50 C ATOM 258 C GLU A 16 6.592 -6.686 -5.548 1.00 10.13 C ATOM 259 O GLU A 16 5.596 -6.261 -6.109 1.00 9.83 O ATOM 260 CB GLU A 16 7.091 -9.046 -6.374 1.00 17.22 C ATOM 261 CG GLU A 16 8.402 -8.764 -7.110 1.00 23.33 C ATOM 262 CD GLU A 16 9.573 -9.470 -6.432 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.754 -10.711 -6.583 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.444 -8.815 -5.874 1.00 28.90 O ATOM 0 H GLU A 16 4.776 -8.991 -5.340 1.00 11.04 H new ATOM 0 HA GLU A 16 7.414 -8.304 -4.413 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.141 -10.070 -6.005 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.291 -9.013 -7.114 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.321 -9.098 -8.145 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.585 -7.690 -7.135 1.00 23.33 H new ATOM 271 N VAL A 17 7.626 -5.872 -5.220 1.00 8.99 N ATOM 272 CA VAL A 17 7.669 -4.470 -5.432 1.00 8.85 C ATOM 273 C VAL A 17 9.149 -4.193 -5.532 1.00 8.04 C ATOM 274 O VAL A 17 10.015 -5.076 -5.251 1.00 8.99 O ATOM 275 CB VAL A 17 7.120 -3.629 -4.274 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.658 -3.954 -3.920 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.060 -3.864 -3.043 1.00 10.54 C ATOM 0 H VAL A 17 8.475 -6.228 -4.782 1.00 8.99 H new ATOM 0 HA VAL A 17 7.059 -4.206 -6.296 1.00 8.85 H new ATOM 0 HB VAL A 17 7.111 -2.581 -4.574 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.335 -3.322 -3.093 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.024 -3.769 -4.787 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.578 -5.001 -3.629 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.702 -3.280 -2.195 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.059 -4.922 -2.782 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.074 -3.553 -3.295 1.00 10.54 H new ATOM 287 N GLU A 18 9.499 -2.984 -6.027 1.00 7.29 N ATOM 288 CA GLU A 18 10.824 -2.483 -5.979 1.00 7.08 C ATOM 289 C GLU A 18 10.914 -1.041 -5.437 1.00 6.45 C ATOM 290 O GLU A 18 9.886 -0.370 -5.443 1.00 5.28 O ATOM 291 CB GLU A 18 11.455 -2.460 -7.418 1.00 10.28 C ATOM 292 CG GLU A 18 11.777 -3.917 -7.922 1.00 12.65 C ATOM 293 CD GLU A 18 12.967 -4.539 -7.298 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.080 -4.185 -7.691 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.819 -5.369 -6.304 1.00 18.17 O ATOM 0 H GLU A 18 8.835 -2.348 -6.469 1.00 7.29 H new ATOM 0 HA GLU A 18 11.358 -3.153 -5.306 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.768 -1.976 -8.112 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.369 -1.866 -7.408 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.911 -4.552 -7.733 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.923 -3.889 -9.002 1.00 12.65 H new ATOM 302 N PRO A 19 12.108 -0.512 -5.047 1.00 7.24 N ATOM 303 CA PRO A 19 12.118 0.738 -4.278 1.00 7.07 C ATOM 304 C PRO A 19 11.755 1.979 -5.041 1.00 6.65 C ATOM 305 O PRO A 19 11.214 2.932 -4.407 1.00 6.37 O ATOM 306 CB PRO A 19 13.605 0.835 -3.997 1.00 7.61 C ATOM 307 CG PRO A 19 14.002 -0.563 -3.639 1.00 8.16 C ATOM 308 CD PRO A 19 13.283 -1.307 -4.741 1.00 7.49 C ATOM 0 HA PRO A 19 11.406 0.700 -3.454 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.153 1.194 -4.868 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.812 1.529 -3.182 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.081 -0.713 -3.665 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.664 -0.855 -2.645 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.920 -1.419 -5.618 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.004 -2.310 -4.419 1.00 7.49 H new ATOM 316 N SER A 20 12.022 1.982 -6.386 1.00 6.80 N ATOM 317 CA SER A 20 11.675 3.056 -7.322 1.00 6.28 C ATOM 318 C SER A 20 10.268 2.953 -7.935 1.00 8.45 C ATOM 319 O SER A 20 9.846 3.823 -8.711 1.00 7.26 O ATOM 320 CB SER A 20 12.644 3.125 -8.532 1.00 8.57 C ATOM 321 OG SER A 20 14.022 3.258 -8.144 1.00 11.13 O ATOM 0 H SER A 20 12.499 1.205 -6.843 1.00 6.80 H new ATOM 0 HA SER A 20 11.738 3.941 -6.689 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.528 2.224 -9.135 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.367 3.969 -9.164 1.00 8.57 H new ATOM 0 HG SER A 20 14.585 3.295 -8.945 1.00 11.13 H new ATOM 327 N ASP A 21 9.522 1.885 -7.591 1.00 7.50 N ATOM 328 CA ASP A 21 8.176 1.786 -8.001 1.00 7.70 C ATOM 329 C ASP A 21 7.257 2.677 -7.221 1.00 7.08 C ATOM 330 O ASP A 21 7.628 3.258 -6.182 1.00 8.11 O ATOM 331 CB ASP A 21 7.728 0.360 -7.909 1.00 11.00 C ATOM 332 CG ASP A 21 6.431 0.048 -8.616 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.334 0.502 -9.801 1.00 14.36 O ATOM 334 OD2 ASP A 21 5.570 -0.720 -8.078 1.00 18.03 O ATOM 0 H ASP A 21 9.859 1.101 -7.032 1.00 7.50 H new ATOM 0 HA ASP A 21 8.126 2.127 -9.035 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.510 -0.277 -8.321 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.623 0.096 -6.857 1.00 11.00 H new ATOM 339 N THR A 22 6.005 2.862 -7.684 1.00 5.37 N ATOM 340 CA THR A 22 5.166 3.847 -7.062 1.00 6.01 C ATOM 341 C THR A 22 4.196 3.357 -6.031 1.00 8.01 C ATOM 342 O THR A 22 3.813 2.176 -5.984 1.00 8.11 O ATOM 343 CB THR A 22 4.292 4.748 -8.016 1.00 8.92 C ATOM 344 OG1 THR A 22 3.395 3.993 -8.723 1.00 10.22 O ATOM 345 CG2 THR A 22 5.210 5.442 -9.030 1.00 9.65 C ATOM 0 H THR A 22 5.584 2.351 -8.460 1.00 5.37 H new ATOM 0 HA THR A 22 5.971 4.423 -6.606 1.00 6.01 H new ATOM 0 HB THR A 22 3.756 5.470 -7.400 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.864 4.576 -9.306 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.612 6.067 -9.693 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.933 6.062 -8.501 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.737 4.690 -9.617 1.00 9.65 H new ATOM 353 N ILE A 23 3.616 4.176 -5.216 1.00 8.32 N ATOM 354 CA ILE A 23 2.557 3.838 -4.346 1.00 9.92 C ATOM 355 C ILE A 23 1.252 3.655 -5.117 1.00 10.01 C ATOM 356 O ILE A 23 0.467 2.760 -4.839 1.00 8.71 O ATOM 357 CB ILE A 23 2.372 4.956 -3.243 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.704 5.247 -2.533 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.171 4.611 -2.363 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.189 4.009 -1.723 1.00 12.30 C ATOM 0 H ILE A 23 3.891 5.155 -5.142 1.00 8.32 H new ATOM 0 HA ILE A 23 2.810 2.895 -3.862 1.00 9.92 H new ATOM 0 HB ILE A 23 2.116 5.919 -3.684 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.459 5.523 -3.269 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.585 6.099 -1.864 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.044 5.382 -1.603 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.273 4.556 -2.978 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.339 3.649 -1.879 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.133 4.243 -1.231 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.443 3.751 -0.972 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.331 3.165 -2.398 1.00 12.30 H new ATOM 372 N GLU A 24 0.936 4.423 -6.187 1.00 9.54 N ATOM 373 CA GLU A 24 -0.256 4.148 -7.037 1.00 11.81 C ATOM 374 C GLU A 24 -0.179 2.762 -7.676 1.00 11.14 C ATOM 375 O GLU A 24 -1.156 2.090 -7.855 1.00 10.62 O ATOM 376 CB GLU A 24 -0.385 5.289 -8.080 1.00 19.24 C ATOM 377 CG GLU A 24 -1.662 5.290 -8.950 1.00 27.76 C ATOM 378 CD GLU A 24 -1.503 6.289 -10.034 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.649 6.109 -10.924 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.344 7.239 -9.904 1.00 36.51 O ATOM 0 H GLU A 24 1.482 5.232 -6.483 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.158 4.133 -6.426 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.332 6.241 -7.552 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.479 5.244 -8.743 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.832 4.299 -9.372 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.533 5.530 -8.341 1.00 27.76 H new ATOM 387 N ASN A 25 1.030 2.307 -8.169 1.00 9.43 N ATOM 388 CA ASN A 25 1.280 1.013 -8.801 1.00 10.96 C ATOM 389 C ASN A 25 1.085 -0.020 -7.837 1.00 9.68 C ATOM 390 O ASN A 25 0.543 -1.103 -7.985 1.00 9.33 O ATOM 391 CB ASN A 25 2.725 0.917 -9.375 1.00 16.78 C ATOM 392 CG ASN A 25 2.752 -0.271 -10.312 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.893 -0.363 -11.192 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.696 -1.200 -10.048 1.00 24.70 N ATOM 0 H ASN A 25 1.873 2.879 -8.120 1.00 9.43 H new ATOM 0 HA ASN A 25 0.584 0.901 -9.632 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.991 1.832 -9.905 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.451 0.791 -8.572 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.734 -2.059 -10.597 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.371 -1.043 -9.299 1.00 24.70 H new ATOM 401 N VAL A 26 1.528 0.215 -6.547 1.00 6.52 N ATOM 402 CA VAL A 26 1.284 -0.701 -5.452 1.00 5.53 C ATOM 403 C VAL A 26 -0.234 -0.756 -5.121 1.00 4.42 C ATOM 404 O VAL A 26 -0.671 -1.830 -4.908 1.00 3.40 O ATOM 405 CB VAL A 26 2.068 -0.321 -4.219 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.579 -1.028 -2.921 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.507 -0.661 -4.428 1.00 8.12 C ATOM 0 H VAL A 26 2.055 1.046 -6.279 1.00 6.52 H new ATOM 0 HA VAL A 26 1.620 -1.688 -5.770 1.00 5.53 H new ATOM 0 HB VAL A 26 1.919 0.749 -4.078 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.190 -0.705 -2.078 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.537 -0.767 -2.735 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.667 -2.108 -3.040 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.078 -0.389 -3.540 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.605 -1.731 -4.608 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.889 -0.111 -5.288 1.00 8.12 H new ATOM 417 N LYS A 27 -1.031 0.377 -5.029 1.00 2.64 N ATOM 418 CA LYS A 27 -2.455 0.250 -4.931 1.00 4.14 C ATOM 419 C LYS A 27 -3.051 -0.491 -6.120 1.00 5.58 C ATOM 420 O LYS A 27 -3.878 -1.356 -5.872 1.00 4.11 O ATOM 421 CB LYS A 27 -3.143 1.608 -4.840 1.00 3.97 C ATOM 422 CG LYS A 27 -2.642 2.438 -3.637 1.00 7.45 C ATOM 423 CD LYS A 27 -3.343 3.822 -3.614 1.00 9.02 C ATOM 424 CE LYS A 27 -3.050 4.569 -2.292 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.006 5.603 -2.076 1.00 15.47 N ATOM 0 H LYS A 27 -0.680 1.335 -5.025 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.630 -0.319 -4.018 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.968 2.164 -5.761 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.220 1.463 -4.755 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.843 1.904 -2.708 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.562 2.570 -3.701 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.001 4.421 -4.458 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.419 3.691 -3.731 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.072 3.867 -1.459 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.047 4.995 -2.323 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.604 6.320 -1.440 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.251 6.045 -2.985 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.862 5.200 -1.645 1.00 15.47 H new ATOM 439 N ALA A 28 -2.553 -0.284 -7.343 1.00 6.61 N ATOM 440 CA ALA A 28 -3.026 -1.024 -8.492 1.00 7.74 C ATOM 441 C ALA A 28 -2.836 -2.523 -8.400 1.00 9.17 C ATOM 442 O ALA A 28 -3.664 -3.347 -8.821 1.00 11.45 O ATOM 443 CB ALA A 28 -2.231 -0.500 -9.721 1.00 7.68 C ATOM 0 H ALA A 28 -1.820 0.394 -7.552 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.102 -0.866 -8.564 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.554 -1.031 -10.617 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.415 0.567 -9.845 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.166 -0.669 -9.564 1.00 7.68 H new ATOM 449 N LYS A 29 -1.611 -2.968 -7.841 1.00 8.96 N ATOM 450 CA LYS A 29 -1.249 -4.342 -7.517 1.00 7.90 C ATOM 451 C LYS A 29 -2.113 -5.008 -6.484 1.00 6.92 C ATOM 452 O LYS A 29 -2.509 -6.163 -6.554 1.00 6.87 O ATOM 453 CB LYS A 29 0.268 -4.405 -7.306 1.00 10.28 C ATOM 454 CG LYS A 29 0.932 -5.764 -7.281 1.00 14.94 C ATOM 455 CD LYS A 29 2.432 -5.507 -7.163 1.00 19.69 C ATOM 456 CE LYS A 29 3.089 -5.360 -8.517 1.00 22.63 C ATOM 457 NZ LYS A 29 4.442 -4.957 -8.248 1.00 24.98 N ATOM 0 H LYS A 29 -0.862 -2.313 -7.618 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.483 -4.986 -8.365 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.738 -3.820 -8.096 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.494 -3.907 -6.363 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.572 -6.357 -6.440 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.704 -6.325 -8.187 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.600 -4.603 -6.578 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.899 -6.329 -6.620 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.062 -6.299 -9.070 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.572 -4.617 -9.125 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.063 -5.296 -9.010 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.492 -3.919 -8.197 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.752 -5.363 -7.342 1.00 24.98 H new ATOM 471 N ILE A 30 -2.513 -4.244 -5.396 1.00 4.57 N ATOM 472 CA ILE A 30 -3.574 -4.633 -4.494 1.00 5.58 C ATOM 473 C ILE A 30 -4.921 -4.715 -5.143 1.00 7.26 C ATOM 474 O ILE A 30 -5.727 -5.631 -4.880 1.00 9.46 O ATOM 475 CB ILE A 30 -3.609 -3.639 -3.283 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.339 -3.788 -2.410 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.802 -4.015 -2.320 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.133 -2.723 -1.367 1.00 2.00 C ATOM 0 H ILE A 30 -2.083 -3.350 -5.157 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.350 -5.644 -4.155 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.699 -2.635 -3.699 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.375 -4.756 -1.911 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.469 -3.800 -3.067 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.823 -3.322 -1.479 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.744 -3.953 -2.866 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.664 -5.031 -1.949 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.215 -2.927 -0.815 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.057 -1.749 -1.851 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.977 -2.721 -0.678 1.00 2.00 H new ATOM 490 N GLN A 31 -5.186 -3.838 -6.127 1.00 7.06 N ATOM 491 CA GLN A 31 -6.458 -3.769 -6.806 1.00 8.67 C ATOM 492 C GLN A 31 -6.593 -5.080 -7.667 1.00 10.90 C ATOM 493 O GLN A 31 -7.605 -5.792 -7.648 1.00 9.63 O ATOM 494 CB GLN A 31 -6.509 -2.554 -7.688 1.00 9.12 C ATOM 495 CG GLN A 31 -7.792 -2.364 -8.545 1.00 10.76 C ATOM 496 CD GLN A 31 -7.563 -1.104 -9.340 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.482 -0.530 -9.425 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.734 -0.609 -9.883 1.00 14.76 N ATOM 0 H GLN A 31 -4.505 -3.157 -6.464 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.278 -3.692 -6.092 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.387 -1.672 -7.059 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.652 -2.587 -8.361 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.955 -3.218 -9.202 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.676 -2.274 -7.914 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.604 -1.131 -9.781 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.728 0.278 -10.386 1.00 14.76 H new ATOM 507 N ASP A 32 -5.548 -5.411 -8.411 1.00 10.93 N ATOM 508 CA ASP A 32 -5.378 -6.629 -9.312 1.00 14.01 C ATOM 509 C ASP A 32 -5.638 -7.926 -8.615 1.00 14.04 C ATOM 510 O ASP A 32 -6.114 -8.880 -9.143 1.00 13.39 O ATOM 511 CB ASP A 32 -3.926 -6.600 -9.839 1.00 18.01 C ATOM 512 CG ASP A 32 -3.648 -7.695 -10.927 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.367 -7.570 -11.929 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.744 -8.542 -10.761 1.00 25.17 O ATOM 0 H ASP A 32 -4.717 -4.819 -8.430 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.112 -6.573 -10.116 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.717 -5.616 -10.260 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.239 -6.742 -9.004 1.00 18.01 H new ATOM 519 N LYS A 33 -5.294 -7.960 -7.332 1.00 14.22 N ATOM 520 CA LYS A 33 -5.494 -9.102 -6.461 1.00 14.00 C ATOM 521 C LYS A 33 -6.795 -9.065 -5.721 1.00 12.37 C ATOM 522 O LYS A 33 -7.530 -10.026 -5.859 1.00 12.17 O ATOM 523 CB LYS A 33 -4.279 -9.180 -5.484 1.00 18.62 C ATOM 524 CG LYS A 33 -3.059 -9.630 -6.236 1.00 24.00 C ATOM 525 CD LYS A 33 -1.883 -9.854 -5.301 1.00 27.61 C ATOM 526 CE LYS A 33 -0.563 -10.281 -5.882 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.633 -11.446 -6.784 1.00 30.06 N ATOM 0 H LYS A 33 -4.856 -7.169 -6.860 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.550 -10.002 -7.074 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.100 -8.205 -5.030 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.496 -9.874 -4.672 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.280 -10.553 -6.772 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.794 -8.882 -6.984 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.717 -8.927 -4.752 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.181 -10.607 -4.571 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.134 -9.441 -6.428 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.120 -10.512 -5.065 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.319 -11.670 -7.137 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.011 -12.264 -6.265 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.257 -11.227 -7.587 1.00 30.06 H new ATOM 541 N GLU A 34 -7.170 -7.953 -5.053 1.00 10.11 N ATOM 542 CA GLU A 34 -8.285 -8.066 -4.123 1.00 10.07 C ATOM 543 C GLU A 34 -9.537 -7.247 -4.585 1.00 9.32 C ATOM 544 O GLU A 34 -10.564 -7.423 -3.921 1.00 11.61 O ATOM 545 CB GLU A 34 -7.773 -7.529 -2.766 1.00 14.77 C ATOM 546 CG GLU A 34 -7.148 -8.610 -1.899 1.00 18.75 C ATOM 547 CD GLU A 34 -8.110 -9.687 -1.332 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.051 -9.376 -0.522 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.875 -10.880 -1.646 1.00 25.19 O ATOM 0 H GLU A 34 -6.743 -7.030 -5.137 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.610 -9.104 -4.061 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.038 -6.744 -2.946 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.602 -7.072 -2.226 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.379 -9.114 -2.484 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.645 -8.127 -1.061 1.00 18.75 H new ATOM 556 N GLY A 35 -9.459 -6.469 -5.661 1.00 7.22 N ATOM 557 CA GLY A 35 -10.598 -5.765 -6.262 1.00 6.29 C ATOM 558 C GLY A 35 -11.007 -4.499 -5.488 1.00 6.93 C ATOM 559 O GLY A 35 -12.194 -4.152 -5.256 1.00 7.41 O ATOM 0 H GLY A 35 -8.582 -6.304 -6.155 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.347 -5.491 -7.287 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.450 -6.443 -6.312 1.00 6.29 H new ATOM 563 N ILE A 36 -10.019 -3.695 -5.042 1.00 5.86 N ATOM 564 CA ILE A 36 -10.179 -2.533 -4.158 1.00 6.07 C ATOM 565 C ILE A 36 -9.845 -1.309 -4.985 1.00 6.36 C ATOM 566 O ILE A 36 -8.673 -1.202 -5.369 1.00 6.18 O ATOM 567 CB ILE A 36 -9.316 -2.678 -2.956 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.530 -3.994 -2.222 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.672 -1.444 -2.109 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.712 -4.251 -0.938 1.00 9.49 C ATOM 0 H ILE A 36 -9.045 -3.850 -5.303 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.197 -2.443 -3.778 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.256 -2.717 -3.206 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.587 -4.064 -1.964 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.318 -4.804 -2.920 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.086 -1.452 -1.190 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.449 -0.539 -2.673 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.734 -1.466 -1.863 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.973 -5.227 -0.529 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.648 -4.229 -1.174 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.936 -3.478 -0.203 1.00 9.49 H new ATOM 582 N PRO A 37 -10.675 -0.274 -5.280 1.00 8.65 N ATOM 583 CA PRO A 37 -10.333 0.949 -5.875 1.00 9.18 C ATOM 584 C PRO A 37 -9.222 1.723 -5.163 1.00 9.85 C ATOM 585 O PRO A 37 -9.196 1.764 -3.935 1.00 8.51 O ATOM 586 CB PRO A 37 -11.674 1.736 -5.952 1.00 11.42 C ATOM 587 CG PRO A 37 -12.751 0.610 -6.002 1.00 9.27 C ATOM 588 CD PRO A 37 -12.122 -0.355 -5.008 1.00 8.33 C ATOM 0 HA PRO A 37 -9.890 0.786 -6.857 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.810 2.384 -5.086 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.716 2.372 -6.836 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.737 0.955 -5.690 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.864 0.178 -6.996 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.349 -0.071 -3.981 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.496 -1.369 -5.148 1.00 8.33 H new ATOM 596 N PRO A 38 -8.206 2.230 -5.890 1.00 8.71 N ATOM 597 CA PRO A 38 -7.107 2.911 -5.217 1.00 9.08 C ATOM 598 C PRO A 38 -7.498 4.194 -4.557 1.00 9.28 C ATOM 599 O PRO A 38 -6.844 4.565 -3.599 1.00 6.50 O ATOM 600 CB PRO A 38 -6.143 3.252 -6.355 1.00 10.31 C ATOM 601 CG PRO A 38 -6.125 1.891 -7.070 1.00 10.81 C ATOM 602 CD PRO A 38 -7.620 1.441 -7.005 1.00 12.00 C ATOM 0 HA PRO A 38 -6.708 2.276 -4.426 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.510 4.057 -6.991 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.158 3.553 -5.997 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.774 1.980 -8.098 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.467 1.180 -6.569 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.135 1.642 -7.945 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.703 0.370 -6.818 1.00 12.00 H new ATOM 610 N ASP A 39 -8.633 4.861 -5.021 1.00 11.20 N ATOM 611 CA ASP A 39 -9.281 5.802 -4.221 1.00 14.96 C ATOM 612 C ASP A 39 -9.523 5.425 -2.728 1.00 13.99 C ATOM 613 O ASP A 39 -9.270 6.236 -1.832 1.00 13.75 O ATOM 614 CB ASP A 39 -10.738 6.096 -4.713 1.00 24.16 C ATOM 615 CG ASP A 39 -10.657 6.705 -6.098 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.096 7.787 -6.306 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.258 6.043 -7.015 1.00 34.22 O ATOM 0 H ASP A 39 -9.053 4.716 -5.939 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.576 6.629 -4.300 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.324 5.177 -4.736 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.240 6.778 -4.027 1.00 24.16 H new ATOM 622 N GLN A 40 -10.043 4.232 -2.451 1.00 11.60 N ATOM 623 CA GLN A 40 -10.489 3.827 -1.158 1.00 10.76 C ATOM 624 C GLN A 40 -9.327 3.464 -0.237 1.00 8.01 C ATOM 625 O GLN A 40 -9.256 3.766 0.944 1.00 8.96 O ATOM 626 CB GLN A 40 -11.394 2.524 -1.264 1.00 11.14 C ATOM 627 CG GLN A 40 -12.852 2.825 -1.691 1.00 14.85 C ATOM 628 CD GLN A 40 -13.805 1.570 -1.484 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.283 1.042 -2.532 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.045 1.164 -0.256 1.00 18.16 N ATOM 0 H GLN A 40 -10.162 3.508 -3.160 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.042 4.674 -0.753 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.947 1.837 -1.982 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.402 2.016 -0.300 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.232 3.668 -1.114 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.868 3.123 -2.739 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.618 1.648 0.534 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.658 0.365 -0.094 1.00 18.16 H new ATOM 639 N GLN A 41 -8.352 2.761 -0.847 1.00 6.52 N ATOM 640 CA GLN A 41 -7.111 2.348 -0.216 1.00 3.87 C ATOM 641 C GLN A 41 -6.253 3.458 0.383 1.00 4.79 C ATOM 642 O GLN A 41 -5.651 4.327 -0.259 1.00 6.34 O ATOM 643 CB GLN A 41 -6.162 1.617 -1.224 1.00 4.20 C ATOM 644 CG GLN A 41 -6.849 0.424 -1.887 1.00 3.20 C ATOM 645 CD GLN A 41 -5.841 -0.241 -2.827 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.712 -0.498 -2.409 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.159 -0.484 -4.117 1.00 7.13 N ATOM 0 H GLN A 41 -8.421 2.463 -1.820 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.479 1.709 0.587 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.835 2.320 -1.990 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.268 1.277 -0.701 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.192 -0.285 -1.134 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.729 0.751 -2.441 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.095 -0.270 -4.460 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.463 -0.882 -4.748 1.00 7.13 H new ATOM 656 N ARG A 42 -6.036 3.338 1.704 1.00 5.73 N ATOM 657 CA ARG A 42 -5.076 4.164 2.469 1.00 6.97 C ATOM 658 C ARG A 42 -3.929 3.210 3.017 1.00 7.15 C ATOM 659 O ARG A 42 -4.244 2.307 3.798 1.00 7.33 O ATOM 660 CB ARG A 42 -5.802 4.759 3.651 1.00 13.23 C ATOM 661 CG ARG A 42 -7.028 5.694 3.314 1.00 21.27 C ATOM 662 CD ARG A 42 -7.650 6.342 4.468 1.00 26.14 C ATOM 663 NE ARG A 42 -8.399 7.550 4.022 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.693 7.815 4.182 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.461 6.989 4.918 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.322 8.886 3.705 1.00 36.39 N ATOM 0 H ARG A 42 -6.528 2.656 2.282 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.656 4.950 1.841 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.156 3.944 4.282 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.086 5.331 4.241 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.696 6.465 2.619 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.784 5.103 2.797 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.325 5.647 4.967 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.887 6.623 5.194 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.853 8.261 3.535 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.050 6.162 5.352 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.453 7.190 5.042 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.806 9.583 3.168 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.320 9.010 3.876 1.00 36.39 H new ATOM 680 N LEU A 43 -2.659 3.415 2.647 1.00 4.65 N ATOM 681 CA LEU A 43 -1.676 2.467 2.952 1.00 3.51 C ATOM 682 C LEU A 43 -0.974 3.059 4.062 1.00 5.56 C ATOM 683 O LEU A 43 -0.625 4.211 3.937 1.00 4.19 O ATOM 684 CB LEU A 43 -0.812 2.188 1.650 1.00 3.74 C ATOM 685 CG LEU A 43 -1.598 1.578 0.499 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.684 1.641 -0.784 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.224 0.210 0.776 1.00 6.41 C ATOM 0 H LEU A 43 -2.327 4.236 2.140 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.032 1.479 3.242 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.367 3.125 1.315 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.009 1.520 1.909 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.498 2.172 0.337 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.217 1.211 -1.632 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.434 2.679 -1.002 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.231 1.077 -0.607 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.760 -0.131 -0.110 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.440 -0.506 1.024 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.919 0.290 1.612 1.00 6.41 H new ATOM 699 N ILE A 44 -0.760 2.363 5.217 1.00 4.58 N ATOM 700 CA ILE A 44 -0.230 2.937 6.416 1.00 5.55 C ATOM 701 C ILE A 44 1.049 2.199 6.649 1.00 5.46 C ATOM 702 O ILE A 44 1.051 0.941 6.739 1.00 6.04 O ATOM 703 CB ILE A 44 -1.136 2.803 7.691 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.562 3.131 7.291 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.705 3.674 8.898 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.890 4.565 6.728 1.00 13.90 C ATOM 0 H ILE A 44 -0.967 1.368 5.306 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.129 4.013 6.273 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.035 1.777 8.044 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.867 2.405 6.538 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.194 2.969 8.164 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.392 3.511 9.728 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.304 3.399 9.203 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.723 4.726 8.613 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.952 4.629 6.492 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.638 5.316 7.477 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.307 4.743 5.825 1.00 13.90 H new ATOM 718 N PHE A 45 2.163 2.978 6.809 1.00 6.75 N ATOM 719 CA PHE A 45 3.420 2.402 7.172 1.00 4.70 C ATOM 720 C PHE A 45 3.948 3.039 8.442 1.00 6.34 C ATOM 721 O PHE A 45 4.246 4.223 8.361 1.00 5.45 O ATOM 722 CB PHE A 45 4.429 2.655 6.005 1.00 5.51 C ATOM 723 CG PHE A 45 5.790 2.069 6.183 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.061 0.693 6.376 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.845 2.954 5.969 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.345 0.213 6.326 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.215 2.490 6.023 1.00 6.64 C ATOM 728 CZ PHE A 45 8.407 1.120 6.252 1.00 6.84 C ATOM 0 H PHE A 45 2.178 3.990 6.686 1.00 6.75 H new ATOM 0 HA PHE A 45 3.296 1.334 7.348 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.000 2.256 5.086 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.533 3.731 5.867 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.245 0.011 6.565 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.639 3.994 5.761 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.533 -0.850 6.344 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.048 3.165 5.893 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.414 0.751 6.376 1.00 6.84 H new ATOM 738 N ALA A 46 4.036 2.246 9.539 1.00 6.53 N ATOM 739 CA ALA A 46 4.467 2.628 10.856 1.00 7.15 C ATOM 740 C ALA A 46 3.573 3.838 11.322 1.00 9.00 C ATOM 741 O ALA A 46 4.072 4.793 11.854 1.00 11.15 O ATOM 742 CB ALA A 46 6.038 2.902 10.964 1.00 8.99 C ATOM 0 H ALA A 46 3.784 1.259 9.496 1.00 6.53 H new ATOM 0 HA ALA A 46 4.324 1.793 11.541 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.288 3.185 11.986 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.584 1.998 10.694 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.314 3.709 10.286 1.00 8.99 H new ATOM 748 N GLY A 47 2.288 3.852 10.966 1.00 9.35 N ATOM 749 CA GLY A 47 1.331 4.944 11.319 1.00 11.68 C ATOM 750 C GLY A 47 1.557 6.189 10.498 1.00 11.14 C ATOM 751 O GLY A 47 1.061 7.227 10.966 1.00 13.93 O ATOM 0 H GLY A 47 1.861 3.105 10.418 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.310 4.592 11.169 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.433 5.185 12.377 1.00 11.68 H new ATOM 755 N LYS A 48 2.133 6.087 9.297 1.00 10.47 N ATOM 756 CA LYS A 48 2.126 7.168 8.361 1.00 8.82 C ATOM 757 C LYS A 48 1.420 6.760 7.136 1.00 7.68 C ATOM 758 O LYS A 48 1.521 5.605 6.668 1.00 6.47 O ATOM 759 CB LYS A 48 3.583 7.584 7.956 1.00 9.74 C ATOM 760 CG LYS A 48 3.699 8.800 7.086 1.00 14.14 C ATOM 761 CD LYS A 48 5.109 9.444 7.314 1.00 16.32 C ATOM 762 CE LYS A 48 5.263 10.726 6.447 1.00 20.04 C ATOM 763 NZ LYS A 48 6.552 11.259 6.827 1.00 23.92 N ATOM 0 H LYS A 48 2.610 5.249 8.966 1.00 10.47 H new ATOM 0 HA LYS A 48 1.628 8.011 8.840 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.157 7.756 8.866 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.049 6.745 7.439 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.572 8.529 6.038 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.913 9.515 7.328 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.237 9.692 8.368 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.889 8.727 7.058 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.226 10.494 5.383 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.463 11.439 6.645 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.740 12.129 6.289 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.552 11.474 7.845 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.292 10.558 6.621 1.00 23.92 H new ATOM 777 N GLN A 49 0.522 7.596 6.604 1.00 8.89 N ATOM 778 CA GLN A 49 -0.214 7.259 5.438 1.00 7.18 C ATOM 779 C GLN A 49 0.591 7.532 4.205 1.00 8.23 C ATOM 780 O GLN A 49 1.204 8.634 4.123 1.00 9.70 O ATOM 781 CB GLN A 49 -1.499 8.094 5.395 1.00 11.67 C ATOM 782 CG GLN A 49 -2.532 7.586 4.368 1.00 15.82 C ATOM 783 CD GLN A 49 -3.833 8.332 4.434 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.121 9.144 3.574 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.623 7.997 5.484 1.00 20.67 N ATOM 0 H GLN A 49 0.304 8.516 6.987 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.454 6.196 5.471 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.954 8.096 6.385 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.243 9.127 5.160 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.116 7.678 3.365 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.717 6.526 4.540 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.304 7.304 6.162 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.536 8.438 5.596 1.00 20.67 H new ATOM 794 N LEU A 50 0.663 6.590 3.229 1.00 6.51 N ATOM 795 CA LEU A 50 1.483 6.719 2.045 1.00 7.41 C ATOM 796 C LEU A 50 0.758 7.304 0.830 1.00 8.27 C ATOM 797 O LEU A 50 -0.139 6.748 0.297 1.00 8.34 O ATOM 798 CB LEU A 50 1.894 5.257 1.593 1.00 7.13 C ATOM 799 CG LEU A 50 2.559 4.438 2.638 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.855 3.037 2.082 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.854 5.058 3.102 1.00 9.11 C ATOM 0 H LEU A 50 0.138 5.716 3.264 1.00 6.51 H new ATOM 0 HA LEU A 50 2.304 7.381 2.318 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.000 4.733 1.257 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.561 5.333 0.734 1.00 7.13 H new ATOM 0 HG LEU A 50 1.881 4.381 3.490 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.343 2.437 2.850 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.922 2.558 1.786 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.511 3.121 1.215 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.307 4.426 3.866 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.536 5.151 2.257 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.656 6.046 3.519 1.00 9.11 H new ATOM 813 N GLU A 51 1.204 8.505 0.318 1.00 9.43 N ATOM 814 CA GLU A 51 0.556 9.204 -0.737 1.00 11.90 C ATOM 815 C GLU A 51 0.822 8.602 -2.138 1.00 11.49 C ATOM 816 O GLU A 51 1.921 8.127 -2.392 1.00 9.88 O ATOM 817 CB GLU A 51 0.842 10.665 -0.749 1.00 16.56 C ATOM 818 CG GLU A 51 0.377 11.350 0.568 1.00 26.06 C ATOM 819 CD GLU A 51 0.559 12.820 0.694 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.011 13.560 -0.160 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.281 13.350 1.610 1.00 33.44 O ATOM 0 H GLU A 51 2.038 8.979 0.665 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.503 9.074 -0.516 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.911 10.826 -0.886 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.339 11.128 -1.598 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.683 11.133 0.701 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.906 10.876 1.395 1.00 26.06 H new ATOM 828 N ASP A 52 -0.216 8.557 -3.005 1.00 12.71 N ATOM 829 CA ASP A 52 -0.292 7.813 -4.273 1.00 16.56 C ATOM 830 C ASP A 52 0.754 8.193 -5.307 1.00 15.83 C ATOM 831 O ASP A 52 1.290 7.334 -6.019 1.00 17.21 O ATOM 832 CB ASP A 52 -1.685 8.159 -4.965 1.00 21.05 C ATOM 833 CG ASP A 52 -2.869 7.902 -4.027 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.908 8.558 -2.911 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.720 7.065 -4.353 1.00 25.82 O ATOM 0 H ASP A 52 -1.076 9.074 -2.821 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.148 6.768 -4.000 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.687 9.204 -5.274 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.801 7.559 -5.868 1.00 21.05 H new ATOM 840 N GLY A 53 1.172 9.461 -5.594 1.00 15.00 N ATOM 841 CA GLY A 53 2.121 9.760 -6.688 1.00 11.77 C ATOM 842 C GLY A 53 3.631 9.708 -6.306 1.00 11.10 C ATOM 843 O GLY A 53 4.433 10.081 -7.089 1.00 11.25 O ATOM 0 H GLY A 53 0.862 10.285 -5.079 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.946 9.053 -7.499 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.897 10.754 -7.077 1.00 11.77 H new ATOM 847 N ARG A 54 3.927 9.298 -5.057 1.00 8.53 N ATOM 848 CA ARG A 54 5.349 9.199 -4.601 1.00 9.05 C ATOM 849 C ARG A 54 5.887 7.774 -4.740 1.00 8.96 C ATOM 850 O ARG A 54 5.182 6.856 -5.128 1.00 11.60 O ATOM 851 CB ARG A 54 5.495 9.835 -3.228 1.00 7.97 C ATOM 852 CG ARG A 54 4.678 11.139 -3.044 1.00 9.62 C ATOM 853 CD ARG A 54 5.211 11.941 -1.899 1.00 12.20 C ATOM 854 NE ARG A 54 4.388 13.162 -1.704 1.00 18.23 N ATOM 855 CZ ARG A 54 4.826 14.396 -1.404 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.133 14.661 -1.124 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.010 15.401 -1.544 1.00 23.38 N ATOM 0 H ARG A 54 3.233 9.035 -4.357 1.00 8.53 H new ATOM 0 HA ARG A 54 5.999 9.777 -5.258 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.185 9.115 -2.471 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.548 10.051 -3.050 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.718 11.731 -3.958 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.630 10.896 -2.867 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.205 11.340 -0.990 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.248 12.218 -2.091 1.00 12.20 H new ATOM 0 HE ARG A 54 3.380 13.051 -1.809 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.820 13.908 -1.138 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.424 15.613 -0.901 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.059 15.243 -1.876 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.322 16.346 -1.322 1.00 23.38 H new ATOM 871 N THR A 55 7.185 7.618 -4.433 1.00 9.05 N ATOM 872 CA THR A 55 7.839 6.237 -4.543 1.00 9.03 C ATOM 873 C THR A 55 7.931 5.522 -3.208 1.00 8.15 C ATOM 874 O THR A 55 7.935 6.197 -2.163 1.00 5.91 O ATOM 875 CB THR A 55 9.201 6.246 -5.174 1.00 11.15 C ATOM 876 OG1 THR A 55 10.209 6.987 -4.427 1.00 11.95 O ATOM 877 CG2 THR A 55 9.168 6.822 -6.555 1.00 11.71 C ATOM 0 H THR A 55 7.803 8.367 -4.120 1.00 9.05 H new ATOM 0 HA THR A 55 7.165 5.694 -5.205 1.00 9.03 H new ATOM 0 HB THR A 55 9.483 5.193 -5.186 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.003 7.945 -4.461 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.173 6.811 -6.978 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.504 6.227 -7.182 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.803 7.848 -6.513 1.00 11.71 H new ATOM 885 N LEU A 56 8.216 4.201 -3.238 1.00 6.91 N ATOM 886 CA LEU A 56 8.501 3.452 -2.021 1.00 8.29 C ATOM 887 C LEU A 56 9.743 3.978 -1.287 1.00 8.05 C ATOM 888 O LEU A 56 9.748 4.129 -0.090 1.00 10.17 O ATOM 889 CB LEU A 56 8.699 1.925 -2.392 1.00 6.60 C ATOM 890 CG LEU A 56 7.388 1.175 -2.472 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.567 1.291 -3.709 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.625 -0.320 -2.280 1.00 8.64 C ATOM 0 H LEU A 56 8.252 3.645 -4.093 1.00 6.91 H new ATOM 0 HA LEU A 56 7.656 3.575 -1.344 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.216 1.851 -3.349 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.339 1.453 -1.647 1.00 6.60 H new ATOM 0 HG LEU A 56 6.818 1.666 -1.683 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.662 0.693 -3.602 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.296 2.335 -3.869 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.142 0.930 -4.562 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.674 -0.850 -2.340 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.293 -0.685 -3.060 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.077 -0.494 -1.304 1.00 8.64 H new ATOM 904 N SER A 57 10.761 4.394 -2.079 1.00 8.92 N ATOM 905 CA SER A 57 11.970 5.098 -1.493 1.00 9.00 C ATOM 906 C SER A 57 11.725 6.402 -0.816 1.00 9.44 C ATOM 907 O SER A 57 12.634 6.859 -0.098 1.00 10.91 O ATOM 908 CB SER A 57 13.090 5.296 -2.540 1.00 10.32 C ATOM 909 OG SER A 57 13.778 4.138 -2.867 1.00 13.59 O ATOM 0 H SER A 57 10.789 4.269 -3.091 1.00 8.92 H new ATOM 0 HA SER A 57 12.275 4.404 -0.710 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.653 5.713 -3.447 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.800 6.031 -2.161 1.00 10.32 H new ATOM 0 HG SER A 57 13.231 3.592 -3.470 1.00 13.59 H new ATOM 915 N ASP A 58 10.582 7.040 -1.016 1.00 9.11 N ATOM 916 CA ASP A 58 10.329 8.329 -0.322 1.00 7.91 C ATOM 917 C ASP A 58 9.746 8.072 1.067 1.00 9.12 C ATOM 918 O ASP A 58 9.723 8.940 1.922 1.00 8.61 O ATOM 919 CB ASP A 58 9.302 9.100 -1.134 1.00 8.41 C ATOM 920 CG ASP A 58 9.848 9.482 -2.510 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.003 10.014 -2.457 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.288 9.246 -3.619 1.00 11.70 O ATOM 0 H ASP A 58 9.831 6.717 -1.625 1.00 9.11 H new ATOM 0 HA ASP A 58 11.262 8.885 -0.225 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.403 8.496 -1.253 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.011 10.001 -0.594 1.00 8.41 H new ATOM 927 N TYR A 59 9.306 6.878 1.326 1.00 7.97 N ATOM 928 CA TYR A 59 8.746 6.514 2.665 1.00 8.45 C ATOM 929 C TYR A 59 9.669 5.525 3.428 1.00 10.98 C ATOM 930 O TYR A 59 9.325 5.104 4.509 1.00 12.95 O ATOM 931 CB TYR A 59 7.348 5.925 2.442 1.00 7.94 C ATOM 932 CG TYR A 59 6.499 7.152 1.953 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.207 8.182 2.821 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.820 7.075 0.701 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.296 9.221 2.439 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.819 7.986 0.391 1.00 6.52 C ATOM 937 CZ TYR A 59 4.615 9.110 1.190 1.00 6.76 C ATOM 938 OH TYR A 59 3.584 10.018 0.840 1.00 7.63 O ATOM 0 H TYR A 59 9.309 6.114 0.651 1.00 7.97 H new ATOM 0 HA TYR A 59 8.681 7.403 3.293 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.364 5.128 1.699 1.00 7.94 H new ATOM 0 HB3 TYR A 59 6.943 5.498 3.359 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.668 8.207 3.797 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.085 6.305 -0.009 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.128 10.071 3.084 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.194 7.823 -0.475 1.00 6.52 H new ATOM 0 HH TYR A 59 3.942 10.930 0.825 1.00 7.63 H new ATOM 948 N ASN A 60 10.910 5.267 2.931 1.00 12.38 N ATOM 949 CA ASN A 60 11.874 4.323 3.466 1.00 13.94 C ATOM 950 C ASN A 60 11.384 2.921 3.603 1.00 14.16 C ATOM 951 O ASN A 60 11.689 2.181 4.557 1.00 14.26 O ATOM 952 CB ASN A 60 12.596 4.889 4.715 1.00 19.23 C ATOM 953 CG ASN A 60 12.781 6.461 4.796 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.150 7.094 5.612 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.542 7.003 3.853 1.00 24.09 N ATOM 0 H ASN A 60 11.262 5.748 2.103 1.00 12.38 H new ATOM 0 HA ASN A 60 12.639 4.213 2.697 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.044 4.568 5.598 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.583 4.430 4.772 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.623 8.017 3.783 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.046 6.405 3.198 1.00 24.09 H new ATOM 962 N ILE A 61 10.715 2.399 2.526 1.00 11.08 N ATOM 963 CA ILE A 61 10.152 1.048 2.547 1.00 11.78 C ATOM 964 C ILE A 61 11.232 0.107 2.072 1.00 13.74 C ATOM 965 O ILE A 61 12.014 0.568 1.226 1.00 14.60 O ATOM 966 CB ILE A 61 8.837 0.952 1.800 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.794 1.886 2.556 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.397 -0.487 1.786 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.559 2.183 1.739 1.00 11.42 C ATOM 0 H ILE A 61 10.565 2.903 1.652 1.00 11.08 H new ATOM 0 HA ILE A 61 9.866 0.758 3.558 1.00 11.78 H new ATOM 0 HB ILE A 61 8.924 1.282 0.765 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.498 1.407 3.489 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.281 2.825 2.820 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.451 -0.573 1.251 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.152 -1.094 1.287 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.268 -0.838 2.810 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.889 2.824 2.312 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.846 2.689 0.817 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.050 1.250 1.497 1.00 11.42 H new ATOM 981 N GLN A 62 11.357 -1.131 2.565 1.00 13.97 N ATOM 982 CA GLN A 62 12.580 -1.907 2.353 1.00 15.52 C ATOM 983 C GLN A 62 12.144 -3.367 2.371 1.00 13.94 C ATOM 984 O GLN A 62 10.991 -3.634 2.599 1.00 12.15 O ATOM 985 CB GLN A 62 13.621 -1.715 3.520 1.00 19.53 C ATOM 986 CG GLN A 62 14.215 -0.284 3.566 1.00 26.38 C ATOM 987 CD GLN A 62 14.980 -0.031 4.899 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.249 -0.112 4.978 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.231 0.308 5.928 1.00 32.71 N ATOM 0 H GLN A 62 10.636 -1.610 3.106 1.00 13.97 H new ATOM 0 HA GLN A 62 13.057 -1.590 1.425 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.137 -1.933 4.472 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.430 -2.436 3.401 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.892 -0.142 2.723 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.414 0.448 3.459 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.218 0.362 5.825 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.664 0.517 6.828 1.00 32.71 H new ATOM 998 N LYS A 63 13.136 -4.240 2.029 1.00 11.73 N ATOM 999 CA LYS A 63 13.001 -5.709 2.179 1.00 11.97 C ATOM 1000 C LYS A 63 12.219 -6.217 3.381 1.00 10.41 C ATOM 1001 O LYS A 63 12.379 -5.768 4.512 1.00 9.59 O ATOM 1002 CB LYS A 63 14.382 -6.417 2.094 1.00 13.73 C ATOM 1003 CG LYS A 63 15.315 -6.101 3.248 1.00 16.98 C ATOM 1004 CD LYS A 63 16.671 -6.781 3.043 1.00 20.19 C ATOM 1005 CE LYS A 63 17.538 -6.765 4.265 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.906 -7.529 5.325 1.00 25.97 N ATOM 0 H LYS A 63 14.035 -3.945 1.648 1.00 11.73 H new ATOM 0 HA LYS A 63 12.376 -5.979 1.328 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.223 -7.495 2.054 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.867 -6.132 1.161 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.451 -5.023 3.329 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.871 -6.437 4.185 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.508 -7.814 2.736 1.00 20.19 H new ATOM 0 HD3 LYS A 63 17.197 -6.286 2.227 1.00 20.19 H new ATOM 0 HE2 LYS A 63 18.516 -7.186 4.034 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.702 -5.738 4.592 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.584 -8.218 5.709 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.601 -6.885 6.082 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.079 -8.033 4.945 1.00 25.97 H new ATOM 1020 N GLU A 64 11.250 -7.156 3.110 1.00 10.04 N ATOM 1021 CA GLU A 64 10.352 -7.716 4.121 1.00 10.94 C ATOM 1022 C GLU A 64 9.608 -6.722 5.023 1.00 9.74 C ATOM 1023 O GLU A 64 9.523 -6.895 6.244 1.00 9.42 O ATOM 1024 CB GLU A 64 10.993 -8.816 4.940 1.00 18.31 C ATOM 1025 CG GLU A 64 11.831 -9.801 4.018 1.00 24.16 C ATOM 1026 CD GLU A 64 12.134 -11.129 4.734 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.142 -11.742 5.304 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.246 -11.690 4.639 1.00 32.61 O ATOM 0 H GLU A 64 11.090 -7.530 2.175 1.00 10.04 H new ATOM 0 HA GLU A 64 9.568 -8.147 3.499 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.645 -8.378 5.696 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.222 -9.376 5.469 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.278 -10.000 3.100 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.766 -9.322 3.729 1.00 24.16 H new ATOM 1035 N SER A 65 9.079 -5.642 4.464 1.00 6.85 N ATOM 1036 CA SER A 65 8.289 -4.653 5.216 1.00 6.90 C ATOM 1037 C SER A 65 6.889 -5.160 5.399 1.00 4.72 C ATOM 1038 O SER A 65 6.325 -5.896 4.601 1.00 3.91 O ATOM 1039 CB SER A 65 8.237 -3.254 4.567 1.00 7.28 C ATOM 1040 OG SER A 65 9.511 -2.595 4.540 1.00 10.56 O ATOM 0 H SER A 65 9.181 -5.419 3.474 1.00 6.85 H new ATOM 0 HA SER A 65 8.798 -4.531 6.172 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.862 -3.347 3.548 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.526 -2.634 5.113 1.00 7.28 H new ATOM 0 HG SER A 65 10.161 -3.159 4.071 1.00 10.56 H new ATOM 1046 N THR A 66 6.227 -4.761 6.557 1.00 4.48 N ATOM 1047 CA THR A 66 4.812 -4.889 6.793 1.00 3.80 C ATOM 1048 C THR A 66 4.160 -3.473 6.713 1.00 4.60 C ATOM 1049 O THR A 66 4.651 -2.478 7.309 1.00 5.33 O ATOM 1050 CB THR A 66 4.496 -5.534 8.188 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.559 -6.933 8.108 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.050 -5.219 8.637 1.00 3.40 C ATOM 0 H THR A 66 6.719 -4.336 7.343 1.00 4.48 H new ATOM 0 HA THR A 66 4.401 -5.551 6.031 1.00 3.80 H new ATOM 0 HB THR A 66 5.228 -5.127 8.885 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.361 -7.320 8.986 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.862 -5.680 9.607 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.921 -4.140 8.717 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.347 -5.615 7.904 1.00 3.40 H new ATOM 1060 N LEU A 67 3.078 -3.387 5.983 1.00 4.17 N ATOM 1061 CA LEU A 67 2.347 -2.176 5.707 1.00 3.85 C ATOM 1062 C LEU A 67 0.907 -2.612 6.137 1.00 3.80 C ATOM 1063 O LEU A 67 0.563 -3.755 6.195 1.00 5.54 O ATOM 1064 CB LEU A 67 2.365 -1.815 4.193 1.00 7.18 C ATOM 1065 CG LEU A 67 3.471 -0.983 3.587 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.843 -1.670 3.757 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.197 -0.638 2.159 1.00 11.66 C ATOM 0 H LEU A 67 2.660 -4.205 5.540 1.00 4.17 H new ATOM 0 HA LEU A 67 2.746 -1.295 6.210 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.341 -2.756 3.644 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.429 -1.298 3.981 1.00 7.18 H new ATOM 0 HG LEU A 67 3.504 -0.041 4.134 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.619 -1.048 3.311 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.052 -1.807 4.818 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.828 -2.641 3.262 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.019 -0.040 1.765 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.103 -1.554 1.575 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.270 -0.069 2.094 1.00 11.66 H new ATOM 1079 N HIS A 68 0.084 -1.648 6.421 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.318 -1.903 6.812 1.00 4.17 C ATOM 1081 C HIS A 68 -2.238 -1.181 5.844 1.00 5.32 C ATOM 1082 O HIS A 68 -1.932 -0.075 5.336 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.534 -1.399 8.296 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.097 -2.382 9.262 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.212 -2.630 9.592 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.768 -3.198 10.102 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.278 -3.658 10.525 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.922 -3.992 10.887 1.00 16.30 N ATOM 0 H HIS A 68 0.338 -0.661 6.396 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.545 -2.968 6.773 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.985 -0.470 8.448 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.589 -1.176 8.455 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.846 -3.235 10.163 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.188 -4.109 10.892 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.191 -4.681 11.589 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.424 -1.715 5.462 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.433 -1.194 4.586 1.00 3.97 C ATOM 1098 C LEU A 69 -5.662 -0.710 5.395 1.00 5.07 C ATOM 1099 O LEU A 69 -6.249 -1.592 6.036 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.775 -2.364 3.610 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.924 -2.139 2.581 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.648 -1.152 1.486 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.414 -3.473 2.016 1.00 9.96 C ATOM 0 H LEU A 69 -3.702 -2.629 5.818 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.095 -0.319 4.030 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.871 -2.611 3.054 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.029 -3.238 4.210 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.717 -1.666 3.161 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.518 -1.080 0.833 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.439 -0.175 1.921 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.786 -1.483 0.906 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.216 -3.292 1.300 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.589 -3.982 1.517 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.787 -4.097 2.828 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.036 0.573 5.479 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.346 1.002 5.903 1.00 6.26 C ATOM 1117 C VAL A 70 -8.043 1.417 4.742 1.00 9.22 C ATOM 1118 O VAL A 70 -7.474 1.909 3.767 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.023 2.189 6.865 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.343 2.747 7.391 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.099 1.806 8.038 1.00 8.54 C ATOM 0 H VAL A 70 -5.413 1.346 5.246 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.964 0.252 6.397 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.473 2.938 6.295 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.143 3.579 8.066 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.949 3.096 6.555 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.881 1.965 7.928 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.920 2.682 8.662 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.573 1.026 8.635 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.150 1.438 7.648 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.393 1.263 4.777 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.186 1.697 3.670 1.00 16.06 C ATOM 1133 C LEU A 71 -11.044 2.930 3.982 1.00 18.09 C ATOM 1134 O LEU A 71 -11.661 3.008 5.066 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.147 0.612 3.263 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.512 -0.754 2.933 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.607 -1.802 2.641 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.560 -0.537 1.705 1.00 19.57 C ATOM 0 H LEU A 71 -9.914 0.850 5.551 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.472 1.942 2.884 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.869 0.471 4.067 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.704 0.954 2.390 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.939 -1.138 3.777 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.141 -2.760 2.410 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.248 -1.912 3.516 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.206 -1.475 1.791 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.089 -1.483 1.438 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.138 -0.168 0.858 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.791 0.191 1.965 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.235 3.815 2.981 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.409 4.663 2.904 1.00 25.83 C ATOM 1152 C ARG A 72 -13.652 3.880 2.462 1.00 27.74 C ATOM 1153 O ARG A 72 -13.503 2.958 1.657 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.160 5.781 1.818 1.00 28.49 C ATOM 1155 CG ARG A 72 -13.005 7.041 2.068 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.722 8.123 0.974 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.103 9.510 1.504 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.234 10.631 0.793 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.864 10.700 -0.444 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.673 11.779 1.342 1.00 35.02 N ATOM 0 H ARG A 72 -10.575 3.950 2.215 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.578 5.079 3.897 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.104 6.050 1.814 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.391 5.382 0.830 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -14.064 6.781 2.065 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.779 7.446 3.054 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.668 8.106 0.697 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.292 7.899 0.072 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.275 9.584 2.507 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -12.459 9.883 -0.902 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.977 11.571 -0.962 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.918 11.810 2.332 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.761 12.618 0.768 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.846 4.185 2.910 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.139 3.569 2.510 1.00 30.76 C ATOM 1176 C LEU A 73 -17.074 4.752 2.189 1.00 32.18 C ATOM 1177 O LEU A 73 -16.815 5.926 2.503 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.705 2.681 3.640 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.964 1.382 4.112 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.760 0.587 5.151 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.625 0.468 2.874 1.00 29.11 C ATOM 0 H LEU A 73 -14.975 4.915 3.611 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.027 2.910 1.649 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.817 3.318 4.517 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.707 2.380 3.334 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.042 1.703 4.596 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.197 -0.301 5.439 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.933 1.208 6.030 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.717 0.287 4.724 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.111 -0.431 3.215 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.547 0.187 2.366 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.982 1.014 2.184 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.186 4.414 1.468 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.180 5.437 1.325 1.00 35.33 C ATOM 1195 C ARG A 74 -19.927 5.819 2.613 1.00 36.22 C ATOM 1196 O ARG A 74 -20.440 4.958 3.352 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.246 5.015 0.295 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.772 4.637 -1.170 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.145 5.703 -2.012 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.848 5.166 -3.440 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.495 5.899 -4.488 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.210 7.190 -4.431 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.302 5.241 -5.614 1.00 41.93 N ATOM 0 H ARG A 74 -18.378 3.515 1.026 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.609 6.309 1.007 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.780 4.157 0.703 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.967 5.828 0.211 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.059 3.817 -1.087 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.637 4.253 -1.710 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.810 6.565 -2.072 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.221 6.045 -1.547 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.932 4.160 -3.584 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.255 7.683 -3.539 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.945 7.692 -5.279 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.426 4.229 -5.641 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.029 5.744 -6.458 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.960 7.089 2.990 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.255 7.586 4.328 1.00 36.07 C ATOM 1219 C GLY A 75 -19.119 7.481 5.300 1.00 36.16 C ATOM 1220 O GLY A 75 -19.333 7.814 6.449 1.00 36.26 O ATOM 0 H GLY A 75 -19.771 7.845 2.332 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.557 8.631 4.254 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.107 7.035 4.726 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.890 6.997 4.855 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.793 6.757 5.788 1.00 36.19 C ATOM 1226 C GLY A 76 -15.442 7.146 5.263 1.00 36.20 C ATOM 1227 O GLY A 76 -14.657 6.253 4.916 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.110 8.354 5.123 1.00 0.00 O ATOM 0 H GLY A 76 -17.676 6.783 3.881 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.986 7.309 6.708 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.778 5.699 6.049 1.00 36.19 H new TER 1232 GLY A 76