USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot 128:sc= 0.777 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.695 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.913 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.0706 (180deg=-0.101) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.31 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.1 (180deg=-0.507!) 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= 0.00335 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 2.16 (180deg=1.65) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= -0.0235 (180deg=-0.036) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.245 K(o=0.24,f=-1.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0236 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.39) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0404) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.272 X(o=-0.27,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.189 2.887 -0.816 1.00 9.67 N ATOM 2 CA MET A 1 -12.836 3.615 0.423 1.00 10.38 C ATOM 3 C MET A 1 -11.541 4.332 0.250 1.00 9.62 C ATOM 4 O MET A 1 -10.773 3.938 -0.626 1.00 9.62 O ATOM 5 CB MET A 1 -12.599 2.616 1.568 1.00 13.77 C ATOM 6 CG MET A 1 -11.414 1.649 1.528 1.00 16.29 C ATOM 7 SD MET A 1 -11.245 0.631 3.025 1.00 17.17 S ATOM 8 CE MET A 1 -9.889 -0.344 2.312 1.00 16.11 C ATOM 0 H1 MET A 1 -13.941 2.198 -0.612 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.523 3.563 -1.532 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.351 2.387 -1.176 1.00 9.67 H new ATOM 0 HA MET A 1 -13.653 4.303 0.641 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.509 3.196 2.486 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.502 2.013 1.660 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.522 0.993 0.664 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.497 2.219 1.383 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.641 -1.167 2.982 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.197 -0.743 1.346 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.014 0.292 2.180 1.00 16.11 H new ATOM 20 N GLN A 2 -11.236 5.349 1.075 1.00 9.27 N ATOM 21 CA GLN A 2 -9.888 5.824 1.110 1.00 9.07 C ATOM 22 C GLN A 2 -9.109 5.338 2.283 1.00 8.72 C ATOM 23 O GLN A 2 -9.618 4.919 3.322 1.00 8.22 O ATOM 24 CB GLN A 2 -9.835 7.361 1.081 1.00 14.46 C ATOM 25 CG GLN A 2 -10.496 8.057 2.272 1.00 17.01 C ATOM 26 CD GLN A 2 -10.692 9.547 2.030 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.796 10.376 1.877 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.973 9.998 1.966 1.00 19.49 N ATOM 0 H GLN A 2 -11.891 5.826 1.694 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.424 5.413 0.213 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -8.791 7.672 1.032 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.314 7.708 0.166 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.462 7.593 2.472 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.883 7.913 3.161 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.749 9.348 2.087 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.158 10.987 1.797 1.00 19.49 H new ATOM 37 N ILE A 3 -7.778 5.401 2.100 1.00 5.87 N ATOM 38 CA ILE A 3 -6.776 5.002 3.039 1.00 5.07 C ATOM 39 C ILE A 3 -5.740 6.074 3.032 1.00 4.01 C ATOM 40 O ILE A 3 -5.454 6.677 1.999 1.00 4.61 O ATOM 41 CB ILE A 3 -6.189 3.634 2.857 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.649 3.262 1.465 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.254 2.658 3.385 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.752 2.027 1.399 1.00 10.83 C ATOM 0 H ILE A 3 -7.374 5.756 1.233 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.255 4.895 4.012 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.255 3.588 3.418 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.497 3.106 0.799 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.090 4.113 1.075 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.892 1.635 3.283 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.453 2.870 4.436 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.173 2.777 2.811 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.433 1.864 0.370 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.877 2.179 2.031 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.306 1.156 1.750 1.00 10.83 H new ATOM 56 N PHE A 4 -4.931 6.229 4.095 1.00 4.55 N ATOM 57 CA PHE A 4 -3.864 7.180 4.099 1.00 4.68 C ATOM 58 C PHE A 4 -2.519 6.539 4.109 1.00 5.30 C ATOM 59 O PHE A 4 -2.132 5.843 5.047 1.00 5.58 O ATOM 60 CB PHE A 4 -3.840 8.144 5.297 1.00 4.83 C ATOM 61 CG PHE A 4 -5.041 9.025 5.266 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.476 9.500 4.051 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.549 9.606 6.403 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.415 10.501 3.975 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.477 10.618 6.326 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.918 11.088 5.112 1.00 8.90 C ATOM 0 H PHE A 4 -5.017 5.691 4.957 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.066 7.730 3.180 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.817 7.579 6.229 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.934 8.749 5.269 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.073 9.080 3.141 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -5.215 9.263 7.371 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.763 10.831 3.007 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.866 11.051 7.236 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.636 11.892 5.053 1.00 8.90 H new ATOM 76 N VAL A 5 -1.732 6.779 3.045 1.00 4.44 N ATOM 77 CA VAL A 5 -0.455 6.161 2.864 1.00 3.87 C ATOM 78 C VAL A 5 0.493 7.213 3.328 1.00 4.93 C ATOM 79 O VAL A 5 0.622 8.321 2.810 1.00 6.84 O ATOM 80 CB VAL A 5 -0.194 5.650 1.478 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.236 5.095 1.368 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.333 4.667 1.156 1.00 9.13 C ATOM 0 H VAL A 5 -1.989 7.418 2.293 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.359 5.234 3.429 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.212 6.430 0.717 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.407 4.729 0.356 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.952 5.886 1.594 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.364 4.277 2.076 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.192 4.263 0.154 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.326 3.852 1.880 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.289 5.189 1.206 1.00 9.13 H new ATOM 92 N LYS A 6 1.306 6.838 4.331 1.00 6.04 N ATOM 93 CA LYS A 6 2.141 7.773 5.020 1.00 6.12 C ATOM 94 C LYS A 6 3.580 7.389 4.960 1.00 6.57 C ATOM 95 O LYS A 6 3.974 6.280 5.316 1.00 5.76 O ATOM 96 CB LYS A 6 1.858 7.895 6.527 1.00 7.45 C ATOM 97 CG LYS A 6 0.559 8.655 6.805 1.00 11.12 C ATOM 98 CD LYS A 6 0.341 9.081 8.258 1.00 14.54 C ATOM 99 CE LYS A 6 -0.900 9.963 8.411 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.955 10.565 9.762 1.00 20.55 N ATOM 0 H LYS A 6 1.386 5.878 4.668 1.00 6.04 H new ATOM 0 HA LYS A 6 1.919 8.708 4.506 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.797 6.899 6.967 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.689 8.407 7.012 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.539 9.546 6.177 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.280 8.030 6.499 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.237 8.195 8.885 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.218 9.622 8.614 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.887 10.751 7.658 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.797 9.369 8.236 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.805 11.159 9.843 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.990 9.811 10.477 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.108 11.149 9.917 1.00 20.55 H new ATOM 114 N THR A 7 4.409 8.285 4.394 1.00 7.41 N ATOM 115 CA THR A 7 5.775 8.056 4.040 1.00 7.48 C ATOM 116 C THR A 7 6.660 8.473 5.164 1.00 8.75 C ATOM 117 O THR A 7 6.214 8.902 6.228 1.00 8.58 O ATOM 118 CB THR A 7 6.254 8.724 2.785 1.00 9.61 C ATOM 119 OG1 THR A 7 6.385 10.138 2.827 1.00 11.78 O ATOM 120 CG2 THR A 7 5.273 8.550 1.613 1.00 9.17 C ATOM 0 H THR A 7 4.103 9.232 4.169 1.00 7.41 H new ATOM 0 HA THR A 7 5.826 6.986 3.840 1.00 7.48 H new ATOM 0 HB THR A 7 7.221 8.235 2.668 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.704 10.463 1.959 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.668 9.052 0.730 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.145 7.489 1.400 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.309 8.985 1.877 1.00 9.17 H new ATOM 128 N LEU A 8 7.960 8.223 4.926 1.00 9.84 N ATOM 129 CA LEU A 8 8.882 8.407 6.004 1.00 14.15 C ATOM 130 C LEU A 8 9.250 9.835 6.219 1.00 17.37 C ATOM 131 O LEU A 8 9.499 10.192 7.369 1.00 17.01 O ATOM 132 CB LEU A 8 10.170 7.617 5.721 1.00 16.63 C ATOM 133 CG LEU A 8 11.118 7.430 6.917 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.542 6.836 8.214 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.328 6.621 6.419 1.00 19.31 C ATOM 0 H LEU A 8 8.358 7.911 4.040 1.00 9.84 H new ATOM 0 HA LEU A 8 8.383 8.049 6.904 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.894 6.633 5.343 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.716 8.123 4.925 1.00 16.63 H new ATOM 0 HG LEU A 8 11.378 8.436 7.246 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.330 6.766 8.964 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.744 7.479 8.585 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.143 5.842 8.013 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.026 6.467 7.242 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.990 5.655 6.044 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.826 7.167 5.618 1.00 19.31 H new ATOM 147 N THR A 9 9.295 10.680 5.173 1.00 18.33 N ATOM 148 CA THR A 9 9.530 12.089 5.239 1.00 19.24 C ATOM 149 C THR A 9 8.302 12.751 5.763 1.00 19.48 C ATOM 150 O THR A 9 8.341 13.280 6.873 1.00 23.14 O ATOM 151 CB THR A 9 9.951 12.632 3.906 1.00 18.97 C ATOM 152 OG1 THR A 9 9.348 11.978 2.798 1.00 20.24 O ATOM 153 CG2 THR A 9 11.463 12.481 3.670 1.00 19.70 C ATOM 0 H THR A 9 9.158 10.355 4.216 1.00 18.33 H new ATOM 0 HA THR A 9 10.355 12.298 5.920 1.00 19.24 H new ATOM 0 HB THR A 9 9.636 13.674 3.956 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.667 12.384 1.965 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.721 12.888 2.692 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.008 13.022 4.444 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.733 11.426 3.707 1.00 19.70 H new ATOM 161 N GLY A 10 7.182 12.648 5.025 1.00 19.43 N ATOM 162 CA GLY A 10 5.983 12.825 5.786 1.00 18.74 C ATOM 163 C GLY A 10 4.890 13.054 4.800 1.00 17.62 C ATOM 164 O GLY A 10 4.005 13.874 5.041 1.00 19.74 O ATOM 0 H GLY A 10 7.099 12.465 4.025 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.777 11.946 6.397 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.076 13.671 6.466 1.00 18.74 H new ATOM 168 N LYS A 11 4.866 12.390 3.630 1.00 13.56 N ATOM 169 CA LYS A 11 3.810 12.740 2.732 1.00 11.91 C ATOM 170 C LYS A 11 2.614 11.898 3.013 1.00 10.18 C ATOM 171 O LYS A 11 2.732 10.693 3.234 1.00 9.10 O ATOM 172 CB LYS A 11 4.261 12.557 1.274 1.00 13.43 C ATOM 173 CG LYS A 11 3.433 13.257 0.194 1.00 16.69 C ATOM 174 CD LYS A 11 3.921 13.096 -1.247 1.00 17.92 C ATOM 175 CE LYS A 11 3.192 14.065 -2.180 1.00 20.81 C ATOM 176 NZ LYS A 11 3.463 13.824 -3.615 1.00 21.93 N ATOM 0 H LYS A 11 5.519 11.669 3.322 1.00 13.56 H new ATOM 0 HA LYS A 11 3.552 13.788 2.881 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.290 12.908 1.192 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.270 11.489 1.054 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.410 12.884 0.252 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.398 14.321 0.426 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.995 13.277 -1.294 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.756 12.071 -1.579 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.119 13.988 -2.004 1.00 20.81 H new ATOM 0 HE3 LYS A 11 3.484 15.085 -1.930 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.349 14.712 -4.144 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.436 13.475 -3.731 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.795 13.115 -3.980 1.00 21.93 H new ATOM 190 N THR A 12 1.451 12.560 3.150 1.00 9.63 N ATOM 191 CA THR A 12 0.236 11.873 3.461 1.00 9.85 C ATOM 192 C THR A 12 -0.544 11.786 2.195 1.00 11.66 C ATOM 193 O THR A 12 -1.148 12.771 1.774 1.00 12.33 O ATOM 194 CB THR A 12 -0.606 12.464 4.552 1.00 10.85 C ATOM 195 OG1 THR A 12 0.161 12.542 5.744 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.830 11.611 4.925 1.00 9.63 C ATOM 0 H THR A 12 1.352 13.570 3.046 1.00 9.63 H new ATOM 0 HA THR A 12 0.517 10.901 3.866 1.00 9.85 H new ATOM 0 HB THR A 12 -0.936 13.429 4.169 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.385 12.929 6.460 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.389 12.104 5.720 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.471 11.493 4.051 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.499 10.631 5.268 1.00 9.63 H new ATOM 204 N ILE A 13 -0.509 10.596 1.568 1.00 10.42 N ATOM 205 CA ILE A 13 -1.145 10.469 0.293 1.00 11.84 C ATOM 206 C ILE A 13 -2.524 9.980 0.572 1.00 10.55 C ATOM 207 O ILE A 13 -2.747 9.018 1.306 1.00 11.92 O ATOM 208 CB ILE A 13 -0.534 9.426 -0.595 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.969 9.651 -0.826 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.304 9.145 -1.897 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.725 8.367 -1.165 1.00 16.46 C ATOM 0 H ILE A 13 -0.060 9.753 1.925 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.069 11.434 -0.209 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.632 8.501 -0.027 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.102 10.368 -1.636 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.405 10.096 0.068 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -0.783 8.377 -2.469 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.310 8.799 -1.658 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.366 10.059 -2.488 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.780 8.595 -1.316 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.621 7.656 -0.345 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.314 7.932 -2.076 1.00 16.46 H new ATOM 223 N THR A 14 -3.530 10.629 -0.041 1.00 9.39 N ATOM 224 CA THR A 14 -4.869 10.134 -0.122 1.00 9.63 C ATOM 225 C THR A 14 -4.879 9.148 -1.240 1.00 11.20 C ATOM 226 O THR A 14 -4.574 9.510 -2.375 1.00 11.63 O ATOM 227 CB THR A 14 -5.873 11.204 -0.434 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.078 12.026 0.705 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.261 10.590 -0.681 1.00 11.66 C ATOM 0 H THR A 14 -3.406 11.533 -0.497 1.00 9.39 H new ATOM 0 HA THR A 14 -5.148 9.708 0.842 1.00 9.63 H new ATOM 0 HB THR A 14 -5.489 11.746 -1.298 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.734 12.723 0.492 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.975 11.383 -0.906 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.209 9.899 -1.523 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.585 10.052 0.210 1.00 11.66 H new ATOM 237 N LEU A 15 -5.115 7.854 -0.962 1.00 8.29 N ATOM 238 CA LEU A 15 -5.124 6.764 -1.887 1.00 9.03 C ATOM 239 C LEU A 15 -6.415 6.046 -1.691 1.00 8.59 C ATOM 240 O LEU A 15 -6.854 5.716 -0.591 1.00 7.79 O ATOM 241 CB LEU A 15 -3.941 5.797 -1.708 1.00 11.08 C ATOM 242 CG LEU A 15 -3.571 4.968 -2.950 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.833 5.798 -4.014 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.702 3.798 -2.458 1.00 15.88 C ATOM 0 H LEU A 15 -5.316 7.546 -0.011 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.021 7.157 -2.898 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.067 6.372 -1.403 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.173 5.113 -0.892 1.00 11.08 H new ATOM 0 HG LEU A 15 -4.476 4.610 -3.440 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -2.595 5.165 -4.869 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.469 6.622 -4.338 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.911 6.196 -3.590 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.413 3.178 -3.306 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.808 4.188 -1.972 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.269 3.198 -1.746 1.00 15.88 H new ATOM 256 N GLU A 16 -7.204 5.864 -2.765 1.00 11.04 N ATOM 257 CA GLU A 16 -8.506 5.276 -2.827 1.00 11.50 C ATOM 258 C GLU A 16 -8.439 3.890 -3.370 1.00 10.13 C ATOM 259 O GLU A 16 -7.668 3.625 -4.291 1.00 9.83 O ATOM 260 CB GLU A 16 -9.474 6.153 -3.641 1.00 17.22 C ATOM 261 CG GLU A 16 -10.866 5.541 -3.809 1.00 23.33 C ATOM 262 CD GLU A 16 -11.957 6.484 -4.296 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.270 7.462 -3.566 1.00 28.86 O ATOM 264 OE2 GLU A 16 -12.463 6.262 -5.428 1.00 28.90 O ATOM 0 H GLU A 16 -6.892 6.163 -3.689 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.896 5.215 -1.811 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.570 7.123 -3.152 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.045 6.334 -4.627 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.793 4.709 -4.510 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.175 5.124 -2.851 1.00 23.33 H new ATOM 271 N VAL A 17 -9.120 2.921 -2.733 1.00 8.99 N ATOM 272 CA VAL A 17 -8.890 1.513 -2.832 1.00 8.85 C ATOM 273 C VAL A 17 -10.140 0.884 -2.320 1.00 8.04 C ATOM 274 O VAL A 17 -10.886 1.526 -1.582 1.00 8.99 O ATOM 275 CB VAL A 17 -7.808 1.030 -1.911 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.391 1.395 -2.384 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.066 1.453 -0.455 1.00 10.54 C ATOM 0 H VAL A 17 -9.890 3.140 -2.101 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.611 1.273 -3.858 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.851 -0.059 -1.944 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.660 1.015 -1.671 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.208 0.951 -3.362 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.299 2.479 -2.455 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.260 1.084 0.179 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.107 2.541 -0.394 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.014 1.035 -0.117 1.00 10.54 H new ATOM 287 N GLU A 18 -10.352 -0.418 -2.582 1.00 7.29 N ATOM 288 CA GLU A 18 -11.501 -1.115 -2.095 1.00 7.08 C ATOM 289 C GLU A 18 -11.111 -2.349 -1.356 1.00 6.45 C ATOM 290 O GLU A 18 -10.084 -2.925 -1.711 1.00 5.28 O ATOM 291 CB GLU A 18 -12.448 -1.427 -3.266 1.00 10.28 C ATOM 292 CG GLU A 18 -11.880 -2.413 -4.289 1.00 12.65 C ATOM 293 CD GLU A 18 -12.879 -2.937 -5.310 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.735 -3.781 -4.931 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.727 -2.562 -6.503 1.00 14.33 O ATOM 0 H GLU A 18 -9.719 -0.993 -3.138 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.028 -0.478 -1.385 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -13.379 -1.831 -2.868 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.696 -0.496 -3.775 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.062 -1.928 -4.821 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.453 -3.261 -3.754 1.00 12.65 H new ATOM 302 N PRO A 19 -11.646 -2.835 -0.275 1.00 7.24 N ATOM 303 CA PRO A 19 -11.108 -3.863 0.569 1.00 7.07 C ATOM 304 C PRO A 19 -11.056 -5.200 -0.087 1.00 6.65 C ATOM 305 O PRO A 19 -10.304 -6.010 0.452 1.00 6.37 O ATOM 306 CB PRO A 19 -12.022 -3.862 1.791 1.00 7.61 C ATOM 307 CG PRO A 19 -13.392 -3.443 1.232 1.00 8.16 C ATOM 308 CD PRO A 19 -12.974 -2.427 0.157 1.00 7.49 C ATOM 0 HA PRO A 19 -10.067 -3.663 0.821 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.066 -4.846 2.257 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.671 -3.164 2.551 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.941 -4.286 0.811 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.029 -2.997 1.995 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.675 -2.429 -0.678 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.961 -1.414 0.560 1.00 7.49 H new ATOM 316 N SER A 20 -11.732 -5.496 -1.212 1.00 6.80 N ATOM 317 CA SER A 20 -11.778 -6.830 -1.726 1.00 6.28 C ATOM 318 C SER A 20 -10.657 -7.112 -2.665 1.00 8.45 C ATOM 319 O SER A 20 -10.330 -8.277 -2.888 1.00 7.26 O ATOM 320 CB SER A 20 -13.013 -7.182 -2.573 1.00 8.57 C ATOM 321 OG SER A 20 -14.260 -6.877 -1.968 1.00 11.13 O ATOM 0 H SER A 20 -12.247 -4.811 -1.766 1.00 6.80 H new ATOM 0 HA SER A 20 -11.758 -7.408 -0.802 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.947 -6.651 -3.523 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.987 -8.248 -2.801 1.00 8.57 H new ATOM 0 HG SER A 20 -14.988 -7.130 -2.573 1.00 11.13 H new ATOM 327 N ASP A 21 -9.912 -6.106 -3.156 1.00 7.50 N ATOM 328 CA ASP A 21 -8.859 -6.292 -4.105 1.00 7.70 C ATOM 329 C ASP A 21 -7.571 -6.355 -3.358 1.00 7.08 C ATOM 330 O ASP A 21 -7.441 -6.266 -2.138 1.00 8.11 O ATOM 331 CB ASP A 21 -8.889 -5.134 -5.116 1.00 11.00 C ATOM 332 CG ASP A 21 -8.803 -5.647 -6.547 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.846 -6.421 -6.818 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.614 -5.226 -7.414 1.00 18.03 O ATOM 0 H ASP A 21 -10.047 -5.132 -2.884 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.978 -7.220 -4.665 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.807 -4.560 -4.988 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -8.059 -4.456 -4.920 1.00 11.00 H new ATOM 339 N THR A 22 -6.500 -6.728 -4.079 1.00 5.37 N ATOM 340 CA THR A 22 -5.255 -7.157 -3.520 1.00 6.01 C ATOM 341 C THR A 22 -4.347 -5.995 -3.308 1.00 8.01 C ATOM 342 O THR A 22 -4.567 -4.849 -3.696 1.00 8.11 O ATOM 343 CB THR A 22 -4.635 -8.263 -4.322 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.527 -7.849 -5.676 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.613 -9.448 -4.381 1.00 9.65 C ATOM 0 H THR A 22 -6.501 -6.731 -5.099 1.00 5.37 H new ATOM 0 HA THR A 22 -5.446 -7.587 -2.537 1.00 6.01 H new ATOM 0 HB THR A 22 -3.676 -8.517 -3.871 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.121 -8.566 -6.206 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.170 -10.257 -4.962 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.821 -9.799 -3.370 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.543 -9.129 -4.852 1.00 9.65 H new ATOM 353 N ILE A 23 -3.211 -6.252 -2.635 1.00 8.32 N ATOM 354 CA ILE A 23 -2.214 -5.244 -2.450 1.00 9.92 C ATOM 355 C ILE A 23 -1.542 -4.965 -3.751 1.00 10.01 C ATOM 356 O ILE A 23 -1.123 -3.847 -4.046 1.00 8.71 O ATOM 357 CB ILE A 23 -1.237 -5.651 -1.387 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.841 -6.160 -0.067 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.120 -4.647 -1.057 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.637 -5.081 0.665 1.00 12.30 C ATOM 0 H ILE A 23 -2.983 -7.155 -2.220 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.686 -4.323 -2.108 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.785 -6.496 -1.906 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.491 -7.010 -0.272 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.041 -6.519 0.580 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.519 -5.057 -0.275 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.475 -4.459 -1.950 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.561 -3.712 -0.711 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.042 -5.492 1.590 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.983 -4.241 0.897 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.455 -4.739 0.031 1.00 12.30 H new ATOM 372 N GLU A 24 -1.423 -5.936 -4.673 1.00 9.54 N ATOM 373 CA GLU A 24 -1.150 -5.712 -6.059 1.00 11.81 C ATOM 374 C GLU A 24 -2.001 -4.688 -6.728 1.00 11.14 C ATOM 375 O GLU A 24 -1.456 -3.823 -7.411 1.00 10.62 O ATOM 376 CB GLU A 24 -1.209 -7.015 -6.874 1.00 19.24 C ATOM 377 CG GLU A 24 -0.562 -6.952 -8.259 1.00 27.76 C ATOM 378 CD GLU A 24 0.920 -6.617 -8.342 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.664 -7.218 -7.522 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.422 -5.834 -9.193 1.00 34.80 O ATOM 0 H GLU A 24 -1.522 -6.924 -4.441 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.136 -5.311 -6.047 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.724 -7.805 -6.300 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.254 -7.303 -6.992 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.713 -7.917 -8.742 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.105 -6.212 -8.847 1.00 27.76 H new ATOM 387 N ASN A 25 -3.313 -4.585 -6.449 1.00 9.43 N ATOM 388 CA ASN A 25 -4.160 -3.528 -6.908 1.00 10.96 C ATOM 389 C ASN A 25 -3.752 -2.214 -6.337 1.00 9.68 C ATOM 390 O ASN A 25 -3.626 -1.238 -7.075 1.00 9.33 O ATOM 391 CB ASN A 25 -5.642 -3.852 -6.654 1.00 16.78 C ATOM 392 CG ASN A 25 -6.646 -2.913 -7.308 1.00 22.31 C ATOM 393 OD1 ASN A 25 -7.464 -2.234 -6.689 1.00 25.66 O ATOM 394 ND2 ASN A 25 -6.597 -2.812 -8.663 1.00 24.70 N ATOM 0 H ASN A 25 -3.806 -5.271 -5.877 1.00 9.43 H new ATOM 0 HA ASN A 25 -4.039 -3.444 -7.988 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.838 -4.865 -7.005 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.816 -3.848 -5.578 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -7.232 -2.180 -9.151 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.925 -3.368 -9.192 1.00 24.70 H new ATOM 401 N VAL A 26 -3.539 -2.140 -5.011 1.00 6.52 N ATOM 402 CA VAL A 26 -3.016 -1.004 -4.318 1.00 5.53 C ATOM 403 C VAL A 26 -1.692 -0.474 -4.748 1.00 4.42 C ATOM 404 O VAL A 26 -1.534 0.704 -5.067 1.00 3.40 O ATOM 405 CB VAL A 26 -2.836 -1.290 -2.856 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.313 -0.048 -2.116 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.131 -1.778 -2.186 1.00 8.12 C ATOM 0 H VAL A 26 -3.744 -2.920 -4.386 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.776 -0.260 -4.556 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.102 -2.093 -2.788 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.190 -0.280 -1.058 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.352 0.248 -2.536 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.025 0.769 -2.228 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.944 -1.970 -1.129 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.902 -1.014 -2.285 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.466 -2.696 -2.668 1.00 8.12 H new ATOM 417 N LYS A 27 -0.690 -1.339 -4.987 1.00 2.64 N ATOM 418 CA LYS A 27 0.565 -1.064 -5.616 1.00 4.14 C ATOM 419 C LYS A 27 0.520 -0.413 -6.955 1.00 5.58 C ATOM 420 O LYS A 27 1.312 0.491 -7.213 1.00 4.11 O ATOM 421 CB LYS A 27 1.312 -2.407 -5.675 1.00 3.97 C ATOM 422 CG LYS A 27 2.689 -2.479 -6.338 1.00 7.45 C ATOM 423 CD LYS A 27 3.049 -3.884 -6.823 1.00 9.02 C ATOM 424 CE LYS A 27 2.893 -4.895 -5.684 1.00 12.90 C ATOM 425 NZ LYS A 27 3.590 -6.145 -6.061 1.00 15.47 N ATOM 0 H LYS A 27 -0.767 -2.319 -4.715 1.00 2.64 H new ATOM 0 HA LYS A 27 1.073 -0.308 -5.017 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.425 -2.762 -4.651 1.00 3.97 H new ATOM 0 HB3 LYS A 27 0.665 -3.117 -6.190 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.715 -1.792 -7.184 1.00 7.45 H new ATOM 0 HG3 LYS A 27 3.445 -2.141 -5.629 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.406 -4.164 -7.658 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.074 -3.897 -7.192 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.311 -4.493 -4.761 1.00 12.90 H new ATOM 0 HE3 LYS A 27 1.838 -5.093 -5.496 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.998 -6.585 -5.211 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 2.913 -6.801 -6.500 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.350 -5.928 -6.737 1.00 15.47 H new ATOM 439 N ALA A 28 -0.462 -0.725 -7.820 1.00 6.61 N ATOM 440 CA ALA A 28 -0.530 -0.163 -9.133 1.00 7.74 C ATOM 441 C ALA A 28 -0.904 1.274 -9.261 1.00 9.17 C ATOM 442 O ALA A 28 -0.582 1.976 -10.218 1.00 11.45 O ATOM 443 CB ALA A 28 -1.545 -0.958 -9.971 1.00 7.68 C ATOM 0 H ALA A 28 -1.218 -1.375 -7.606 1.00 6.61 H new ATOM 0 HA ALA A 28 0.502 -0.228 -9.477 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.601 -0.534 -10.973 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.228 -1.999 -10.035 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -2.526 -0.906 -9.500 1.00 7.68 H new ATOM 449 N LYS A 29 -1.570 1.775 -8.206 1.00 8.96 N ATOM 450 CA LYS A 29 -2.150 3.065 -7.999 1.00 7.90 C ATOM 451 C LYS A 29 -1.099 3.973 -7.459 1.00 6.92 C ATOM 452 O LYS A 29 -1.084 5.147 -7.826 1.00 6.87 O ATOM 453 CB LYS A 29 -3.301 3.072 -6.978 1.00 10.28 C ATOM 454 CG LYS A 29 -4.343 2.013 -7.340 1.00 14.94 C ATOM 455 CD LYS A 29 -5.462 2.050 -6.296 1.00 19.69 C ATOM 456 CE LYS A 29 -6.595 1.053 -6.544 1.00 22.63 C ATOM 457 NZ LYS A 29 -7.089 1.015 -7.939 1.00 24.98 N ATOM 0 H LYS A 29 -1.720 1.188 -7.386 1.00 8.96 H new ATOM 0 HA LYS A 29 -2.547 3.381 -8.964 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.910 2.880 -5.979 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -3.768 4.057 -6.954 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -4.747 2.204 -8.334 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.884 1.025 -7.367 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -5.032 1.854 -5.314 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -5.881 3.056 -6.266 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.251 0.056 -6.267 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -7.427 1.298 -5.884 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.887 0.352 -8.007 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -7.403 1.965 -8.222 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.324 0.701 -8.570 1.00 24.98 H new ATOM 471 N ILE A 30 -0.135 3.479 -6.662 1.00 4.57 N ATOM 472 CA ILE A 30 0.946 4.300 -6.213 1.00 5.58 C ATOM 473 C ILE A 30 1.925 4.475 -7.323 1.00 7.26 C ATOM 474 O ILE A 30 2.581 5.510 -7.434 1.00 9.46 O ATOM 475 CB ILE A 30 1.600 3.707 -5.000 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.572 3.494 -3.876 1.00 2.94 C ATOM 477 CG2 ILE A 30 2.690 4.648 -4.459 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.046 2.502 -2.815 1.00 2.00 C ATOM 0 H ILE A 30 -0.104 2.515 -6.330 1.00 4.57 H new ATOM 0 HA ILE A 30 0.560 5.278 -5.926 1.00 5.58 H new ATOM 0 HB ILE A 30 2.034 2.754 -5.301 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.358 4.451 -3.401 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -0.362 3.136 -4.308 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.153 4.201 -3.579 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.447 4.807 -5.227 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.243 5.604 -4.187 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.278 2.394 -2.049 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.234 1.534 -3.280 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.965 2.869 -2.358 1.00 2.00 H new ATOM 490 N GLN A 31 2.040 3.419 -8.147 1.00 7.06 N ATOM 491 CA GLN A 31 2.715 3.448 -9.407 1.00 8.67 C ATOM 492 C GLN A 31 2.278 4.497 -10.372 1.00 10.90 C ATOM 493 O GLN A 31 3.066 4.915 -11.219 1.00 9.63 O ATOM 494 CB GLN A 31 2.740 2.019 -9.975 1.00 9.12 C ATOM 495 CG GLN A 31 3.173 1.717 -11.411 1.00 10.76 C ATOM 496 CD GLN A 31 2.959 0.223 -11.614 1.00 13.78 C ATOM 497 OE1 GLN A 31 2.802 -0.568 -10.687 1.00 14.48 O ATOM 498 NE2 GLN A 31 2.685 -0.187 -12.882 1.00 14.76 N ATOM 0 H GLN A 31 1.645 2.505 -7.925 1.00 7.06 H new ATOM 0 HA GLN A 31 3.736 3.783 -9.223 1.00 8.67 H new ATOM 0 HB2 GLN A 31 3.389 1.435 -9.323 1.00 9.12 H new ATOM 0 HB3 GLN A 31 1.732 1.620 -9.862 1.00 9.12 H new ATOM 0 HG2 GLN A 31 2.585 2.295 -12.124 1.00 10.76 H new ATOM 0 HG3 GLN A 31 4.218 1.985 -11.567 1.00 10.76 H new ATOM 0 HE21 GLN A 31 2.809 0.456 -13.664 1.00 14.76 H new ATOM 0 HE22 GLN A 31 2.355 -1.137 -13.051 1.00 14.76 H new ATOM 507 N ASP A 32 0.966 4.792 -10.398 1.00 10.93 N ATOM 508 CA ASP A 32 0.404 5.756 -11.292 1.00 14.01 C ATOM 509 C ASP A 32 0.478 7.164 -10.808 1.00 14.04 C ATOM 510 O ASP A 32 1.072 8.023 -11.458 1.00 13.39 O ATOM 511 CB ASP A 32 -1.062 5.376 -11.557 1.00 18.01 C ATOM 512 CG ASP A 32 -1.355 4.516 -12.779 1.00 24.33 C ATOM 513 OD1 ASP A 32 -1.049 5.035 -13.885 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.975 3.426 -12.652 1.00 25.17 O ATOM 0 H ASP A 32 0.281 4.351 -9.784 1.00 10.93 H new ATOM 0 HA ASP A 32 1.002 5.729 -12.203 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -1.438 4.851 -10.678 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -1.637 6.297 -11.648 1.00 18.01 H new ATOM 519 N LYS A 33 -0.072 7.337 -9.593 1.00 14.22 N ATOM 520 CA LYS A 33 -0.176 8.651 -9.039 1.00 14.00 C ATOM 521 C LYS A 33 1.151 9.196 -8.635 1.00 12.37 C ATOM 522 O LYS A 33 1.672 10.038 -9.366 1.00 12.17 O ATOM 523 CB LYS A 33 -1.134 8.646 -7.835 1.00 18.62 C ATOM 524 CG LYS A 33 -2.527 8.164 -8.245 1.00 24.00 C ATOM 525 CD LYS A 33 -3.129 9.039 -9.346 1.00 27.61 C ATOM 526 CE LYS A 33 -4.657 8.979 -9.355 1.00 27.64 C ATOM 527 NZ LYS A 33 -5.276 9.782 -10.433 1.00 30.06 N ATOM 0 H LYS A 33 -0.437 6.587 -9.006 1.00 14.22 H new ATOM 0 HA LYS A 33 -0.574 9.302 -9.818 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.737 7.999 -7.053 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -1.201 9.650 -7.415 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.467 7.133 -8.592 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.184 8.170 -7.376 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.808 10.071 -9.205 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.748 8.716 -10.315 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -4.971 7.941 -9.461 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -5.031 9.328 -8.393 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -6.311 9.696 -10.380 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -5.006 10.780 -10.321 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.947 9.435 -11.357 1.00 30.06 H new ATOM 541 N GLU A 34 1.779 8.742 -7.536 1.00 10.11 N ATOM 542 CA GLU A 34 3.108 9.132 -7.180 1.00 10.07 C ATOM 543 C GLU A 34 4.194 8.790 -8.141 1.00 9.32 C ATOM 544 O GLU A 34 5.084 9.600 -8.392 1.00 11.61 O ATOM 545 CB GLU A 34 3.626 8.621 -5.824 1.00 14.77 C ATOM 546 CG GLU A 34 2.992 9.333 -4.628 1.00 18.75 C ATOM 547 CD GLU A 34 3.422 10.793 -4.638 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.610 11.147 -4.410 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.504 11.607 -4.926 1.00 21.95 O ATOM 0 H GLU A 34 1.353 8.088 -6.879 1.00 10.11 H new ATOM 0 HA GLU A 34 2.932 10.208 -7.164 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.430 7.552 -5.747 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.708 8.750 -5.784 1.00 14.77 H new ATOM 0 HG2 GLU A 34 1.906 9.260 -4.678 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.301 8.856 -3.698 1.00 18.75 H new ATOM 556 N GLY A 35 4.229 7.648 -8.852 1.00 7.22 N ATOM 557 CA GLY A 35 5.294 7.264 -9.726 1.00 6.29 C ATOM 558 C GLY A 35 6.378 6.454 -9.103 1.00 6.93 C ATOM 559 O GLY A 35 7.540 6.452 -9.507 1.00 7.41 O ATOM 0 H GLY A 35 3.478 6.959 -8.815 1.00 7.22 H new ATOM 0 HA2 GLY A 35 4.872 6.697 -10.556 1.00 6.29 H new ATOM 0 HA3 GLY A 35 5.736 8.166 -10.149 1.00 6.29 H new ATOM 563 N ILE A 36 5.974 5.676 -8.083 1.00 5.86 N ATOM 564 CA ILE A 36 6.865 4.693 -7.550 1.00 6.07 C ATOM 565 C ILE A 36 6.853 3.362 -8.219 1.00 6.36 C ATOM 566 O ILE A 36 5.744 2.864 -8.405 1.00 6.18 O ATOM 567 CB ILE A 36 6.620 4.490 -6.084 1.00 7.47 C ATOM 568 CG1 ILE A 36 6.417 5.797 -5.299 1.00 8.52 C ATOM 569 CG2 ILE A 36 7.772 3.700 -5.441 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.666 6.668 -5.173 1.00 9.49 C ATOM 0 H ILE A 36 5.058 5.723 -7.638 1.00 5.86 H new ATOM 0 HA ILE A 36 7.851 5.116 -7.743 1.00 6.07 H new ATOM 0 HB ILE A 36 5.688 3.927 -6.026 1.00 7.47 H new ATOM 0 HG12 ILE A 36 5.633 6.378 -5.785 1.00 8.52 H new ATOM 0 HG13 ILE A 36 6.059 5.552 -4.299 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.572 3.565 -4.378 1.00 7.36 H new ATOM 0 HG22 ILE A 36 7.857 2.725 -5.921 1.00 7.36 H new ATOM 0 HG23 ILE A 36 8.705 4.249 -5.568 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.427 7.567 -4.605 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.448 6.110 -4.658 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.015 6.949 -6.167 1.00 9.49 H new ATOM 582 N PRO A 37 7.840 2.687 -8.729 1.00 8.65 N ATOM 583 CA PRO A 37 7.697 1.475 -9.483 1.00 9.18 C ATOM 584 C PRO A 37 7.587 0.236 -8.664 1.00 9.85 C ATOM 585 O PRO A 37 7.819 0.378 -7.464 1.00 8.51 O ATOM 586 CB PRO A 37 8.947 1.474 -10.360 1.00 11.42 C ATOM 587 CG PRO A 37 9.984 2.435 -9.756 1.00 9.27 C ATOM 588 CD PRO A 37 9.116 3.366 -8.895 1.00 8.33 C ATOM 0 HA PRO A 37 6.760 1.461 -10.039 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.360 0.467 -10.425 1.00 11.42 H new ATOM 0 HB3 PRO A 37 8.695 1.782 -11.375 1.00 11.42 H new ATOM 0 HG2 PRO A 37 10.727 1.906 -9.159 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.526 2.983 -10.527 1.00 9.27 H new ATOM 0 HD2 PRO A 37 9.586 3.555 -7.930 1.00 8.33 H new ATOM 0 HD3 PRO A 37 8.983 4.333 -9.379 1.00 8.33 H new ATOM 596 N PRO A 38 7.121 -0.888 -9.123 1.00 8.71 N ATOM 597 CA PRO A 38 6.320 -1.701 -8.255 1.00 9.08 C ATOM 598 C PRO A 38 7.101 -2.623 -7.384 1.00 9.28 C ATOM 599 O PRO A 38 6.504 -3.101 -6.421 1.00 6.50 O ATOM 600 CB PRO A 38 5.422 -2.450 -9.237 1.00 10.31 C ATOM 601 CG PRO A 38 6.091 -2.401 -10.620 1.00 10.81 C ATOM 602 CD PRO A 38 6.841 -1.062 -10.540 1.00 12.00 C ATOM 0 HA PRO A 38 5.775 -1.104 -7.524 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.284 -3.483 -8.916 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.433 -1.993 -9.275 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.766 -3.242 -10.781 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.362 -2.417 -11.431 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.759 -1.085 -11.127 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.235 -0.243 -10.929 1.00 12.00 H new ATOM 610 N ASP A 39 8.413 -2.828 -7.602 1.00 11.20 N ATOM 611 CA ASP A 39 9.407 -3.466 -6.796 1.00 14.96 C ATOM 612 C ASP A 39 10.070 -2.581 -5.797 1.00 13.99 C ATOM 613 O ASP A 39 10.880 -3.055 -5.003 1.00 13.75 O ATOM 614 CB ASP A 39 10.484 -4.031 -7.737 1.00 24.16 C ATOM 615 CG ASP A 39 11.344 -2.950 -8.377 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.961 -2.231 -9.338 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.551 -2.936 -8.016 1.00 35.55 O ATOM 0 H ASP A 39 8.830 -2.495 -8.471 1.00 11.20 H new ATOM 0 HA ASP A 39 8.893 -4.234 -6.219 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.125 -4.713 -7.178 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.003 -4.616 -8.521 1.00 24.16 H new ATOM 622 N GLN A 40 9.781 -1.268 -5.770 1.00 11.60 N ATOM 623 CA GLN A 40 10.365 -0.442 -4.759 1.00 10.76 C ATOM 624 C GLN A 40 9.355 -0.064 -3.730 1.00 8.01 C ATOM 625 O GLN A 40 9.714 0.715 -2.849 1.00 8.96 O ATOM 626 CB GLN A 40 10.753 0.941 -5.310 1.00 11.14 C ATOM 627 CG GLN A 40 11.725 0.877 -6.490 1.00 14.85 C ATOM 628 CD GLN A 40 12.356 2.228 -6.796 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.192 3.234 -6.108 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.007 2.239 -7.990 1.00 18.16 N ATOM 0 H GLN A 40 9.163 -0.789 -6.425 1.00 11.60 H new ATOM 0 HA GLN A 40 11.207 -1.022 -4.381 1.00 10.76 H new ATOM 0 HB2 GLN A 40 9.850 1.466 -5.622 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.203 1.529 -4.510 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.510 0.153 -6.271 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.197 0.517 -7.373 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.115 1.374 -8.520 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.388 3.112 -8.355 1.00 18.16 H new ATOM 639 N GLN A 41 8.111 -0.574 -3.737 1.00 6.52 N ATOM 640 CA GLN A 41 7.114 -0.173 -2.794 1.00 3.87 C ATOM 641 C GLN A 41 6.955 -1.134 -1.666 1.00 4.79 C ATOM 642 O GLN A 41 6.126 -2.036 -1.775 1.00 6.34 O ATOM 643 CB GLN A 41 5.704 -0.064 -3.399 1.00 4.20 C ATOM 644 CG GLN A 41 5.755 0.879 -4.602 1.00 3.20 C ATOM 645 CD GLN A 41 4.385 0.960 -5.260 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.343 0.859 -4.615 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.399 1.052 -6.617 1.00 7.13 N ATOM 0 H GLN A 41 7.792 -1.275 -4.406 1.00 6.52 H new ATOM 0 HA GLN A 41 7.484 0.796 -2.458 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.348 -1.048 -3.705 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.002 0.312 -2.655 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.073 1.871 -4.283 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.493 0.524 -5.322 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.286 1.134 -7.113 1.00 7.13 H new ATOM 0 HE22 GLN A 41 3.522 1.039 -7.138 1.00 7.13 H new ATOM 656 N ARG A 42 7.531 -0.830 -0.489 1.00 5.73 N ATOM 657 CA ARG A 42 7.358 -1.607 0.699 1.00 6.97 C ATOM 658 C ARG A 42 6.337 -1.021 1.612 1.00 7.15 C ATOM 659 O ARG A 42 6.532 0.021 2.235 1.00 7.33 O ATOM 660 CB ARG A 42 8.665 -1.686 1.505 1.00 13.23 C ATOM 661 CG ARG A 42 8.742 -2.368 2.872 1.00 21.27 C ATOM 662 CD ARG A 42 10.191 -2.573 3.320 1.00 26.14 C ATOM 663 NE ARG A 42 10.253 -3.281 4.629 1.00 32.26 N ATOM 664 CZ ARG A 42 10.798 -2.637 5.703 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.691 -1.606 5.683 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.692 -3.217 6.934 1.00 36.39 N ATOM 0 H ARG A 42 8.136 -0.019 -0.360 1.00 5.73 H new ATOM 0 HA ARG A 42 7.040 -2.592 0.358 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.397 -2.181 0.867 1.00 13.23 H new ATOM 0 HB3 ARG A 42 9.008 -0.661 1.647 1.00 13.23 H new ATOM 0 HG2 ARG A 42 8.214 -1.764 3.610 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.235 -3.332 2.827 1.00 21.27 H new ATOM 0 HD2 ARG A 42 10.730 -3.147 2.567 1.00 26.14 H new ATOM 0 HD3 ARG A 42 10.690 -1.607 3.402 1.00 26.14 H new ATOM 0 HE ARG A 42 9.894 -4.231 4.722 1.00 32.26 H new ATOM 0 HH11 ARG A 42 12.022 -1.235 4.792 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.027 -1.206 6.559 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.214 -4.112 7.037 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.091 -2.755 7.751 1.00 36.39 H new ATOM 680 N LEU A 43 5.194 -1.726 1.702 1.00 4.65 N ATOM 681 CA LEU A 43 4.163 -1.278 2.585 1.00 3.51 C ATOM 682 C LEU A 43 4.067 -2.068 3.844 1.00 5.56 C ATOM 683 O LEU A 43 4.134 -3.296 3.802 1.00 4.19 O ATOM 684 CB LEU A 43 2.788 -1.383 1.903 1.00 3.74 C ATOM 685 CG LEU A 43 2.579 -0.573 0.613 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.486 -1.309 -0.180 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.247 0.900 0.906 1.00 9.55 C ATOM 0 H LEU A 43 4.987 -2.579 1.182 1.00 4.65 H new ATOM 0 HA LEU A 43 4.430 -0.250 2.828 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.603 -2.433 1.676 1.00 3.74 H new ATOM 0 HB3 LEU A 43 2.030 -1.074 2.622 1.00 3.74 H new ATOM 0 HG LEU A 43 3.492 -0.518 0.020 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.293 -0.778 -1.112 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.818 -2.323 -0.402 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.571 -1.348 0.412 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.107 1.435 -0.033 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.332 0.956 1.495 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.066 1.354 1.464 1.00 9.55 H new ATOM 699 N ILE A 44 3.908 -1.323 4.953 1.00 4.58 N ATOM 700 CA ILE A 44 3.793 -1.850 6.277 1.00 5.55 C ATOM 701 C ILE A 44 2.440 -1.461 6.765 1.00 5.46 C ATOM 702 O ILE A 44 1.974 -0.354 6.499 1.00 6.04 O ATOM 703 CB ILE A 44 4.777 -1.320 7.277 1.00 6.80 C ATOM 704 CG1 ILE A 44 6.199 -1.434 6.702 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.667 -1.999 8.653 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.770 -2.822 6.411 1.00 13.90 C ATOM 0 H ILE A 44 3.857 -0.305 4.924 1.00 4.58 H new ATOM 0 HA ILE A 44 3.980 -2.921 6.203 1.00 5.55 H new ATOM 0 HB ILE A 44 4.539 -0.271 7.453 1.00 6.80 H new ATOM 0 HG12 ILE A 44 6.225 -0.866 5.772 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.876 -0.938 7.398 1.00 10.31 H new ATOM 0 HG21 ILE A 44 5.406 -1.571 9.330 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.668 -1.840 9.058 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.849 -3.068 8.547 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.779 -2.724 6.011 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.800 -3.404 7.332 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.139 -3.330 5.682 1.00 13.90 H new ATOM 718 N PHE A 45 1.674 -2.408 7.334 1.00 6.75 N ATOM 719 CA PHE A 45 0.523 -2.110 8.129 1.00 4.70 C ATOM 720 C PHE A 45 0.801 -2.606 9.506 1.00 6.34 C ATOM 721 O PHE A 45 1.165 -3.764 9.704 1.00 5.45 O ATOM 722 CB PHE A 45 -0.687 -2.881 7.575 1.00 5.51 C ATOM 723 CG PHE A 45 -1.931 -2.742 8.384 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.598 -1.541 8.328 1.00 6.86 C ATOM 725 CD2 PHE A 45 -2.513 -3.800 9.041 1.00 5.87 C ATOM 726 CE1 PHE A 45 -3.833 -1.380 8.910 1.00 6.68 C ATOM 727 CE2 PHE A 45 -3.661 -3.563 9.760 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.365 -2.384 9.685 1.00 6.84 C ATOM 0 H PHE A 45 1.859 -3.407 7.239 1.00 6.75 H new ATOM 0 HA PHE A 45 0.313 -1.040 8.121 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -0.888 -2.537 6.561 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -0.429 -3.938 7.507 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.142 -0.707 7.816 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -2.081 -4.789 8.994 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.386 -0.465 8.759 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -4.027 -4.340 10.415 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.298 -2.252 10.213 1.00 6.84 H new ATOM 738 N ALA A 46 0.668 -1.713 10.503 1.00 6.53 N ATOM 739 CA ALA A 46 1.064 -1.949 11.857 1.00 7.15 C ATOM 740 C ALA A 46 2.503 -2.270 12.073 1.00 9.00 C ATOM 741 O ALA A 46 3.415 -1.446 12.040 1.00 11.15 O ATOM 742 CB ALA A 46 0.037 -2.827 12.592 1.00 8.99 C ATOM 0 H ALA A 46 0.267 -0.786 10.359 1.00 6.53 H new ATOM 0 HA ALA A 46 1.031 -0.983 12.361 1.00 7.15 H new ATOM 0 HB1 ALA A 46 0.365 -2.989 13.619 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -0.932 -2.328 12.595 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.051 -3.787 12.083 1.00 8.99 H new ATOM 748 N GLY A 47 2.768 -3.558 12.358 1.00 9.35 N ATOM 749 CA GLY A 47 4.078 -4.102 12.174 1.00 11.68 C ATOM 750 C GLY A 47 4.121 -5.338 11.343 1.00 11.14 C ATOM 751 O GLY A 47 4.540 -6.382 11.842 1.00 13.93 O ATOM 0 H GLY A 47 2.079 -4.220 12.714 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.710 -3.345 11.710 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.508 -4.321 13.152 1.00 11.68 H new ATOM 755 N LYS A 48 3.632 -5.348 10.090 1.00 10.47 N ATOM 756 CA LYS A 48 3.609 -6.423 9.148 1.00 8.82 C ATOM 757 C LYS A 48 3.788 -5.865 7.778 1.00 7.68 C ATOM 758 O LYS A 48 3.236 -4.813 7.460 1.00 6.47 O ATOM 759 CB LYS A 48 2.275 -7.178 9.279 1.00 9.74 C ATOM 760 CG LYS A 48 2.103 -8.400 8.375 1.00 14.14 C ATOM 761 CD LYS A 48 0.738 -9.088 8.442 1.00 16.32 C ATOM 762 CE LYS A 48 0.281 -9.571 9.820 1.00 20.04 C ATOM 763 NZ LYS A 48 0.837 -10.907 10.131 1.00 23.92 N ATOM 0 H LYS A 48 3.207 -4.508 9.697 1.00 10.47 H new ATOM 0 HA LYS A 48 4.418 -7.127 9.342 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.162 -7.499 10.315 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.464 -6.480 9.071 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.286 -8.095 7.345 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.870 -9.130 8.632 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.011 -8.396 8.058 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.755 -9.945 7.769 1.00 16.32 H new ATOM 0 HE2 LYS A 48 0.596 -8.857 10.581 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.808 -9.611 9.851 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 0.510 -11.209 11.071 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 0.516 -11.591 9.417 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 1.876 -10.861 10.124 1.00 23.92 H new ATOM 777 N GLN A 49 4.475 -6.692 6.970 1.00 8.89 N ATOM 778 CA GLN A 49 4.669 -6.383 5.587 1.00 7.18 C ATOM 779 C GLN A 49 3.606 -7.012 4.755 1.00 8.23 C ATOM 780 O GLN A 49 3.105 -8.103 5.023 1.00 9.70 O ATOM 781 CB GLN A 49 6.088 -6.663 5.065 1.00 11.67 C ATOM 782 CG GLN A 49 6.504 -5.757 3.904 1.00 15.82 C ATOM 783 CD GLN A 49 7.881 -6.089 3.347 1.00 20.21 C ATOM 784 OE1 GLN A 49 8.781 -5.942 4.172 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.081 -6.472 2.057 1.00 20.67 N ATOM 0 H GLN A 49 4.895 -7.571 7.272 1.00 8.89 H new ATOM 0 HA GLN A 49 4.572 -5.301 5.496 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.798 -6.540 5.883 1.00 11.67 H new ATOM 0 HB3 GLN A 49 6.149 -7.703 4.743 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.767 -5.839 3.105 1.00 15.82 H new ATOM 0 HG3 GLN A 49 6.496 -4.720 4.240 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.286 -6.574 1.426 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.026 -6.657 1.721 1.00 20.67 H new ATOM 794 N LEU A 50 2.968 -6.237 3.860 1.00 6.51 N ATOM 795 CA LEU A 50 1.808 -6.617 3.116 1.00 7.41 C ATOM 796 C LEU A 50 2.194 -7.317 1.858 1.00 8.27 C ATOM 797 O LEU A 50 2.777 -6.686 0.978 1.00 8.34 O ATOM 798 CB LEU A 50 0.965 -5.393 2.719 1.00 7.13 C ATOM 799 CG LEU A 50 0.577 -4.478 3.893 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.367 -3.375 3.386 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.209 -5.314 4.917 1.00 8.14 C ATOM 0 H LEU A 50 3.281 -5.290 3.644 1.00 6.51 H new ATOM 0 HA LEU A 50 1.227 -7.275 3.763 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.520 -4.807 1.986 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.055 -5.738 2.228 1.00 7.13 H new ATOM 0 HG LEU A 50 1.475 -4.044 4.333 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.645 -2.724 4.215 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.138 -2.789 2.618 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.264 -3.829 2.965 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.494 -4.684 5.759 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.105 -5.718 4.446 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.415 -6.134 5.273 1.00 8.14 H new ATOM 813 N GLU A 51 1.898 -8.612 1.648 1.00 9.43 N ATOM 814 CA GLU A 51 2.432 -9.360 0.553 1.00 11.90 C ATOM 815 C GLU A 51 1.482 -9.303 -0.593 1.00 11.49 C ATOM 816 O GLU A 51 0.282 -9.044 -0.510 1.00 9.88 O ATOM 817 CB GLU A 51 2.638 -10.820 0.990 1.00 16.56 C ATOM 818 CG GLU A 51 3.651 -10.926 2.132 1.00 26.06 C ATOM 819 CD GLU A 51 3.848 -12.374 2.557 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.717 -12.973 1.869 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.252 -12.955 3.503 1.00 33.44 O ATOM 0 H GLU A 51 1.275 -9.150 2.251 1.00 9.43 H new ATOM 0 HA GLU A 51 3.389 -8.937 0.247 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.685 -11.244 1.307 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.983 -11.410 0.141 1.00 16.56 H new ATOM 0 HG2 GLU A 51 4.605 -10.503 1.816 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.307 -10.338 2.983 1.00 26.06 H new ATOM 828 N ASP A 52 1.992 -9.445 -1.829 1.00 12.71 N ATOM 829 CA ASP A 52 1.431 -9.043 -3.082 1.00 16.56 C ATOM 830 C ASP A 52 0.044 -9.502 -3.374 1.00 15.83 C ATOM 831 O ASP A 52 -0.846 -8.726 -3.718 1.00 17.21 O ATOM 832 CB ASP A 52 2.460 -9.339 -4.185 1.00 21.05 C ATOM 833 CG ASP A 52 3.784 -8.666 -3.852 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.806 -7.409 -3.930 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.799 -9.326 -3.503 1.00 28.37 O ATOM 0 H ASP A 52 2.899 -9.892 -1.962 1.00 12.71 H new ATOM 0 HA ASP A 52 1.252 -7.969 -3.030 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.603 -10.415 -4.282 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.091 -8.979 -5.145 1.00 21.05 H new ATOM 840 N GLY A 53 -0.238 -10.805 -3.199 1.00 15.00 N ATOM 841 CA GLY A 53 -1.467 -11.413 -3.607 1.00 11.77 C ATOM 842 C GLY A 53 -2.525 -11.444 -2.558 1.00 11.10 C ATOM 843 O GLY A 53 -3.561 -12.091 -2.702 1.00 11.25 O ATOM 0 H GLY A 53 0.411 -11.458 -2.759 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.851 -10.877 -4.475 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.262 -12.434 -3.928 1.00 11.77 H new ATOM 847 N ARG A 54 -2.308 -10.842 -1.374 1.00 8.53 N ATOM 848 CA ARG A 54 -3.186 -10.796 -0.246 1.00 9.05 C ATOM 849 C ARG A 54 -4.137 -9.674 -0.483 1.00 8.96 C ATOM 850 O ARG A 54 -3.869 -8.736 -1.232 1.00 11.60 O ATOM 851 CB ARG A 54 -2.296 -10.559 0.986 1.00 7.97 C ATOM 852 CG ARG A 54 -1.487 -11.807 1.344 1.00 9.62 C ATOM 853 CD ARG A 54 -2.298 -12.791 2.189 1.00 12.20 C ATOM 854 NE ARG A 54 -1.545 -13.976 2.689 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.105 -14.991 3.410 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.382 -15.000 3.891 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.297 -15.954 3.942 1.00 25.50 N ATOM 0 H ARG A 54 -1.437 -10.342 -1.192 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.763 -11.708 -0.093 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.618 -9.728 0.791 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -2.917 -10.271 1.834 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.157 -12.300 0.430 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -0.590 -11.514 1.890 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.709 -12.256 3.045 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.143 -13.142 1.596 1.00 12.20 H new ATOM 0 HE ARG A 54 -0.548 -14.032 2.479 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.997 -14.205 3.719 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.721 -15.802 4.422 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -0.288 -15.910 3.799 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.702 -16.718 4.483 1.00 25.50 H new ATOM 871 N THR A 55 -5.252 -9.643 0.268 1.00 9.05 N ATOM 872 CA THR A 55 -6.117 -8.504 0.240 1.00 9.03 C ATOM 873 C THR A 55 -6.022 -7.571 1.397 1.00 8.15 C ATOM 874 O THR A 55 -5.244 -7.832 2.314 1.00 5.91 O ATOM 875 CB THR A 55 -7.547 -8.847 -0.056 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.030 -9.645 1.015 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.664 -9.723 -1.315 1.00 11.71 C ATOM 0 H THR A 55 -5.553 -10.396 0.887 1.00 9.05 H new ATOM 0 HA THR A 55 -5.716 -7.943 -0.604 1.00 9.03 H new ATOM 0 HB THR A 55 -8.100 -7.918 -0.193 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.867 -9.265 1.355 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.713 -9.954 -1.502 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.252 -9.187 -2.170 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.110 -10.650 -1.166 1.00 11.71 H new ATOM 885 N LEU A 56 -6.703 -6.411 1.390 1.00 6.91 N ATOM 886 CA LEU A 56 -6.722 -5.474 2.470 1.00 8.29 C ATOM 887 C LEU A 56 -7.676 -5.968 3.502 1.00 8.05 C ATOM 888 O LEU A 56 -7.519 -5.662 4.682 1.00 10.17 O ATOM 889 CB LEU A 56 -7.321 -4.154 1.956 1.00 6.60 C ATOM 890 CG LEU A 56 -6.443 -3.319 1.008 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.232 -2.041 0.675 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.106 -2.869 1.622 1.00 9.85 C ATOM 0 H LEU A 56 -7.267 -6.113 0.594 1.00 6.91 H new ATOM 0 HA LEU A 56 -5.714 -5.346 2.864 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.255 -4.382 1.442 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.573 -3.537 2.818 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.212 -3.945 0.146 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.645 -1.416 0.002 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.172 -2.309 0.193 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.439 -1.491 1.593 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.547 -2.286 0.890 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.298 -2.257 2.503 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.524 -3.745 1.909 1.00 9.85 H new ATOM 904 N SER A 57 -8.702 -6.708 3.046 1.00 8.92 N ATOM 905 CA SER A 57 -9.677 -7.296 3.911 1.00 9.00 C ATOM 906 C SER A 57 -9.082 -8.338 4.794 1.00 9.44 C ATOM 907 O SER A 57 -9.547 -8.454 5.926 1.00 10.91 O ATOM 908 CB SER A 57 -10.869 -8.000 3.238 1.00 10.32 C ATOM 909 OG SER A 57 -10.469 -9.059 2.381 1.00 13.59 O ATOM 0 H SER A 57 -8.858 -6.902 2.057 1.00 8.92 H new ATOM 0 HA SER A 57 -10.039 -6.416 4.442 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.535 -8.392 4.007 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.440 -7.270 2.664 1.00 10.32 H new ATOM 0 HG SER A 57 -11.262 -9.473 1.981 1.00 13.59 H new ATOM 915 N ASP A 58 -7.995 -9.028 4.402 1.00 9.11 N ATOM 916 CA ASP A 58 -7.290 -10.017 5.156 1.00 7.91 C ATOM 917 C ASP A 58 -6.827 -9.442 6.450 1.00 9.12 C ATOM 918 O ASP A 58 -7.079 -9.973 7.530 1.00 8.61 O ATOM 919 CB ASP A 58 -6.165 -10.655 4.324 1.00 8.41 C ATOM 920 CG ASP A 58 -5.786 -12.070 4.738 1.00 11.50 C ATOM 921 OD1 ASP A 58 -6.216 -12.537 5.826 1.00 10.05 O ATOM 922 OD2 ASP A 58 -5.187 -12.719 3.839 1.00 11.70 O ATOM 0 H ASP A 58 -7.577 -8.880 3.483 1.00 9.11 H new ATOM 0 HA ASP A 58 -7.967 -10.835 5.403 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.469 -10.667 3.277 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.280 -10.023 4.391 1.00 8.41 H new ATOM 927 N TYR A 59 -6.057 -8.345 6.329 1.00 7.97 N ATOM 928 CA TYR A 59 -5.397 -7.715 7.430 1.00 8.45 C ATOM 929 C TYR A 59 -6.275 -6.782 8.188 1.00 10.98 C ATOM 930 O TYR A 59 -5.857 -6.136 9.148 1.00 12.95 O ATOM 931 CB TYR A 59 -4.232 -6.864 6.896 1.00 7.94 C ATOM 932 CG TYR A 59 -3.394 -7.702 5.993 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.551 -8.652 6.521 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.361 -7.461 4.640 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.603 -9.290 5.755 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.453 -8.107 3.835 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.526 -8.930 4.431 1.00 6.76 C ATOM 938 OH TYR A 59 -0.590 -9.533 3.565 1.00 7.63 O ATOM 0 H TYR A 59 -5.889 -7.882 5.436 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.077 -8.520 8.092 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.615 -5.997 6.358 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -3.632 -6.486 7.723 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -2.636 -8.904 7.568 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.055 -6.757 4.205 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -0.949 -10.040 6.175 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.467 -7.972 2.764 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.683 -9.153 2.667 1.00 7.63 H new ATOM 948 N ASN A 60 -7.568 -6.673 7.834 1.00 12.38 N ATOM 949 CA ASN A 60 -8.628 -5.777 8.181 1.00 13.94 C ATOM 950 C ASN A 60 -8.219 -4.348 8.076 1.00 14.16 C ATOM 951 O ASN A 60 -8.438 -3.547 8.983 1.00 14.26 O ATOM 952 CB ASN A 60 -9.171 -5.947 9.610 1.00 19.23 C ATOM 953 CG ASN A 60 -9.410 -7.432 9.842 1.00 22.65 C ATOM 954 OD1 ASN A 60 -8.663 -8.205 10.441 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.558 -7.969 9.349 1.00 24.09 N ATOM 0 H ASN A 60 -7.931 -7.357 7.170 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.403 -6.037 7.460 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.460 -5.556 10.338 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.097 -5.387 9.736 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -10.757 -8.960 9.486 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.220 -7.381 8.842 1.00 24.09 H new ATOM 962 N ILE A 61 -7.847 -3.918 6.857 1.00 11.08 N ATOM 963 CA ILE A 61 -7.387 -2.581 6.647 1.00 11.78 C ATOM 964 C ILE A 61 -8.638 -1.834 6.335 1.00 13.74 C ATOM 965 O ILE A 61 -9.344 -2.033 5.348 1.00 14.60 O ATOM 966 CB ILE A 61 -6.308 -2.472 5.610 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.092 -3.321 6.019 1.00 11.56 C ATOM 968 CG2 ILE A 61 -5.883 -1.029 5.294 1.00 13.29 C ATOM 969 CD1 ILE A 61 -3.849 -3.509 5.152 1.00 11.42 C ATOM 0 H ILE A 61 -7.865 -4.496 6.017 1.00 11.08 H new ATOM 0 HA ILE A 61 -6.877 -2.164 7.516 1.00 11.78 H new ATOM 0 HB ILE A 61 -6.736 -2.859 4.685 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -4.742 -2.914 6.968 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.474 -4.321 6.223 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.100 -1.038 4.536 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -6.742 -0.470 4.922 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -5.505 -0.554 6.200 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.138 -4.153 5.670 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.132 -3.969 4.205 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -3.388 -2.540 4.961 1.00 11.42 H new ATOM 981 N GLN A 62 -8.937 -0.889 7.244 1.00 13.97 N ATOM 982 CA GLN A 62 -10.208 -0.240 7.149 1.00 15.52 C ATOM 983 C GLN A 62 -10.078 1.083 6.476 1.00 13.94 C ATOM 984 O GLN A 62 -9.095 1.548 5.903 1.00 12.15 O ATOM 985 CB GLN A 62 -10.851 -0.041 8.532 1.00 19.53 C ATOM 986 CG GLN A 62 -10.923 -1.287 9.416 1.00 26.38 C ATOM 987 CD GLN A 62 -12.032 -1.280 10.458 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.169 -0.995 10.086 1.00 33.23 O ATOM 989 NE2 GLN A 62 -11.870 -1.638 11.760 1.00 32.71 N ATOM 0 H GLN A 62 -8.334 -0.585 8.008 1.00 13.97 H new ATOM 0 HA GLN A 62 -10.851 -0.890 6.556 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.292 0.728 9.065 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -11.862 0.340 8.391 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.053 -2.160 8.776 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -9.967 -1.406 9.927 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -10.944 -1.882 12.110 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.675 -1.662 12.386 1.00 32.71 H new ATOM 998 N LYS A 63 -11.124 1.927 6.527 1.00 11.73 N ATOM 999 CA LYS A 63 -11.144 3.201 5.877 1.00 11.97 C ATOM 1000 C LYS A 63 -10.316 4.179 6.636 1.00 10.41 C ATOM 1001 O LYS A 63 -10.260 4.124 7.864 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.542 3.807 5.667 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.533 3.725 6.830 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.764 4.561 6.473 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.835 4.698 7.556 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.332 3.345 7.889 1.00 25.97 N ATOM 0 H LYS A 63 -11.982 1.717 7.036 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.737 3.009 4.884 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.417 4.858 5.406 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.994 3.317 4.805 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.818 2.689 7.014 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.074 4.097 7.746 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.429 5.561 6.197 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.228 4.125 5.588 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.420 5.179 8.442 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.653 5.327 7.205 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.132 3.422 8.549 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.645 2.867 7.020 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.569 2.794 8.332 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.634 5.193 6.073 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.695 6.162 6.546 1.00 10.94 C ATOM 1022 C GLU A 64 -7.760 5.685 7.603 1.00 9.74 C ATOM 1023 O GLU A 64 -7.760 6.160 8.737 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.502 7.348 7.100 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.542 7.910 6.128 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.294 9.089 6.727 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.520 9.172 7.964 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.870 9.931 5.987 1.00 31.72 O ATOM 0 H GLU A 64 -9.782 5.356 5.077 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.060 6.422 5.699 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.008 7.034 8.013 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.812 8.145 7.376 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.048 8.223 5.208 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.250 7.126 5.859 1.00 24.16 H new ATOM 1035 N SER A 65 -6.905 4.700 7.272 1.00 6.85 N ATOM 1036 CA SER A 65 -6.009 3.958 8.102 1.00 6.90 C ATOM 1037 C SER A 65 -4.619 4.166 7.606 1.00 4.72 C ATOM 1038 O SER A 65 -4.515 4.299 6.388 1.00 3.91 O ATOM 1039 CB SER A 65 -6.437 2.481 8.144 1.00 7.28 C ATOM 1040 OG SER A 65 -5.713 1.804 9.161 1.00 10.56 O ATOM 0 H SER A 65 -6.838 4.390 6.303 1.00 6.85 H new ATOM 0 HA SER A 65 -6.041 4.309 9.134 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.508 2.407 8.335 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.253 2.011 7.178 1.00 7.28 H new ATOM 0 HG SER A 65 -5.988 0.864 9.188 1.00 10.56 H new ATOM 1046 N THR A 66 -3.618 4.186 8.504 1.00 4.48 N ATOM 1047 CA THR A 66 -2.241 4.465 8.236 1.00 3.80 C ATOM 1048 C THR A 66 -1.642 3.238 7.639 1.00 4.60 C ATOM 1049 O THR A 66 -1.503 2.212 8.303 1.00 5.33 O ATOM 1050 CB THR A 66 -1.479 4.842 9.472 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.066 5.956 10.128 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.076 5.361 9.114 1.00 3.40 C ATOM 0 H THR A 66 -3.785 3.992 9.491 1.00 4.48 H new ATOM 0 HA THR A 66 -2.182 5.317 7.558 1.00 3.80 H new ATOM 0 HB THR A 66 -1.469 3.942 10.087 1.00 2.85 H new ATOM 0 HG1 THR A 66 -1.547 6.175 10.930 1.00 2.15 H new ATOM 0 HG21 THR A 66 0.457 5.628 10.027 1.00 3.40 H new ATOM 0 HG22 THR A 66 0.476 4.583 8.586 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.165 6.240 8.476 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.135 3.334 6.397 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.159 2.398 5.931 1.00 3.85 C ATOM 1062 C LEU A 67 1.161 3.088 5.881 1.00 3.80 C ATOM 1063 O LEU A 67 1.275 4.173 5.313 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.426 1.765 4.555 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.411 0.604 4.340 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.863 1.052 4.580 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.285 0.256 2.847 1.00 8.12 C ATOM 0 H LEU A 67 -1.397 4.052 5.721 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.194 1.569 6.638 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.755 2.573 3.902 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.539 1.424 4.180 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.189 -0.220 5.018 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.535 0.209 4.420 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.968 1.411 5.604 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.116 1.854 3.886 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -1.958 -0.567 2.607 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.549 1.127 2.247 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.259 -0.038 2.627 1.00 8.12 H new ATOM 1079 N HIS A 68 2.291 2.569 6.392 1.00 2.94 N ATOM 1080 CA HIS A 68 3.566 3.198 6.238 1.00 4.17 C ATOM 1081 C HIS A 68 4.197 2.801 4.948 1.00 5.32 C ATOM 1082 O HIS A 68 4.124 1.646 4.531 1.00 7.70 O ATOM 1083 CB HIS A 68 4.520 2.927 7.414 1.00 5.57 C ATOM 1084 CG HIS A 68 5.823 3.669 7.412 1.00 9.95 C ATOM 1085 ND1 HIS A 68 5.878 5.048 7.372 1.00 13.74 N ATOM 1086 CD2 HIS A 68 7.091 3.178 7.454 1.00 12.79 C ATOM 1087 CE1 HIS A 68 7.203 5.334 7.479 1.00 14.75 C ATOM 1088 NE2 HIS A 68 7.955 4.251 7.529 1.00 16.30 N ATOM 0 H HIS A 68 2.320 1.698 6.921 1.00 2.94 H new ATOM 0 HA HIS A 68 3.381 4.272 6.230 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.995 3.165 8.339 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.737 1.859 7.436 1.00 5.57 H new ATOM 0 HD1 HIS A 68 5.101 5.703 7.283 1.00 13.74 H new ATOM 0 HD2 HIS A 68 7.371 2.135 7.432 1.00 12.79 H new ATOM 0 HE1 HIS A 68 7.597 6.339 7.519 1.00 14.75 H new ATOM 1096 N LEU A 69 4.873 3.739 4.261 1.00 5.29 N ATOM 1097 CA LEU A 69 5.594 3.418 3.069 1.00 3.97 C ATOM 1098 C LEU A 69 7.064 3.656 3.048 1.00 5.07 C ATOM 1099 O LEU A 69 7.536 4.746 3.367 1.00 4.34 O ATOM 1100 CB LEU A 69 5.129 4.267 1.874 1.00 6.08 C ATOM 1101 CG LEU A 69 5.793 4.017 0.510 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.302 2.758 -0.226 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.468 5.207 -0.408 1.00 6.87 C ATOM 0 H LEU A 69 4.920 4.721 4.532 1.00 5.29 H new ATOM 0 HA LEU A 69 5.388 2.349 3.020 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.056 4.118 1.756 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.278 5.316 2.131 1.00 6.08 H new ATOM 0 HG LEU A 69 6.855 3.886 0.718 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.826 2.665 -1.177 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.501 1.878 0.386 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.230 2.838 -0.409 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.930 5.051 -1.383 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.388 5.290 -0.527 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.856 6.124 0.035 1.00 6.87 H new ATOM 1115 N VAL A 70 7.815 2.604 2.676 1.00 4.29 N ATOM 1116 CA VAL A 70 9.244 2.615 2.618 1.00 6.26 C ATOM 1117 C VAL A 70 9.671 1.990 1.335 1.00 9.22 C ATOM 1118 O VAL A 70 8.934 1.878 0.357 1.00 9.36 O ATOM 1119 CB VAL A 70 9.754 1.992 3.884 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.025 3.124 4.890 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.692 1.029 4.440 1.00 8.54 C ATOM 0 H VAL A 70 7.410 1.708 2.404 1.00 4.29 H new ATOM 0 HA VAL A 70 9.685 3.612 2.591 1.00 6.26 H new ATOM 0 HB VAL A 70 10.669 1.430 3.700 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.398 2.700 5.823 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.769 3.806 4.478 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.101 3.669 5.083 1.00 9.76 H new ATOM 0 HG21 VAL A 70 9.059 0.574 5.360 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.775 1.580 4.648 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.488 0.249 3.706 1.00 8.54 H new ATOM 1131 N LEU A 71 10.953 1.581 1.362 1.00 12.71 N ATOM 1132 CA LEU A 71 11.626 1.056 0.216 1.00 16.06 C ATOM 1133 C LEU A 71 11.673 -0.433 0.165 1.00 18.09 C ATOM 1134 O LEU A 71 12.081 -1.087 1.123 1.00 19.26 O ATOM 1135 CB LEU A 71 13.082 1.540 0.105 1.00 17.10 C ATOM 1136 CG LEU A 71 13.803 1.333 -1.238 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.142 2.100 -2.395 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.252 1.843 -1.174 1.00 17.51 C ATOM 0 H LEU A 71 11.534 1.616 2.200 1.00 12.71 H new ATOM 0 HA LEU A 71 11.024 1.433 -0.611 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.100 2.605 0.335 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.663 1.037 0.879 1.00 17.10 H new ATOM 0 HG LEU A 71 13.754 0.259 -1.418 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.694 1.915 -3.316 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.113 1.762 -2.515 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.150 3.168 -2.175 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.737 1.684 -2.137 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.253 2.907 -0.939 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.795 1.300 -0.400 1.00 17.51 H new ATOM 1150 N ARG A 72 11.240 -1.077 -0.934 1.00 21.47 N ATOM 1151 CA ARG A 72 11.291 -2.492 -1.133 1.00 25.83 C ATOM 1152 C ARG A 72 12.487 -2.751 -1.983 1.00 27.74 C ATOM 1153 O ARG A 72 12.707 -2.088 -2.995 1.00 30.65 O ATOM 1154 CB ARG A 72 10.038 -3.043 -1.835 1.00 28.49 C ATOM 1155 CG ARG A 72 9.689 -4.461 -1.377 1.00 31.79 C ATOM 1156 CD ARG A 72 8.647 -5.150 -2.259 1.00 34.05 C ATOM 1157 NE ARG A 72 8.260 -6.517 -1.811 1.00 35.08 N ATOM 1158 CZ ARG A 72 7.073 -7.091 -2.164 1.00 34.67 C ATOM 1159 NH1 ARG A 72 5.949 -6.415 -2.543 1.00 35.02 N ATOM 1160 NH2 ARG A 72 6.969 -8.448 -2.269 1.00 34.97 N ATOM 0 H ARG A 72 10.832 -0.582 -1.727 1.00 21.47 H new ATOM 0 HA ARG A 72 11.343 -2.991 -0.165 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.194 -2.382 -1.637 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.199 -3.041 -2.913 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.597 -5.063 -1.364 1.00 31.79 H new ATOM 0 HG3 ARG A 72 9.318 -4.422 -0.353 1.00 31.79 H new ATOM 0 HD2 ARG A 72 7.753 -4.528 -2.296 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.035 -5.212 -3.276 1.00 34.05 H new ATOM 0 HE ARG A 72 8.904 -7.042 -1.220 1.00 35.08 H new ATOM 0 HH11 ARG A 72 5.955 -5.396 -2.579 1.00 35.02 H new ATOM 0 HH12 ARG A 72 5.104 -6.929 -2.791 1.00 35.02 H new ATOM 0 HH21 ARG A 72 7.780 -9.038 -2.083 1.00 34.97 H new ATOM 0 HH22 ARG A 72 6.080 -8.872 -2.533 1.00 34.97 H new ATOM 1174 N LEU A 73 13.228 -3.847 -1.743 1.00 28.93 N ATOM 1175 CA LEU A 73 14.270 -4.326 -2.596 1.00 30.76 C ATOM 1176 C LEU A 73 13.669 -5.457 -3.358 1.00 32.18 C ATOM 1177 O LEU A 73 12.712 -6.097 -2.925 1.00 32.31 O ATOM 1178 CB LEU A 73 15.535 -4.808 -1.865 1.00 30.53 C ATOM 1179 CG LEU A 73 16.496 -3.770 -1.261 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.944 -2.814 -0.190 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.719 -4.526 -0.714 1.00 29.57 C ATOM 0 H LEU A 73 13.094 -4.427 -0.914 1.00 28.93 H new ATOM 0 HA LEU A 73 14.616 -3.503 -3.222 1.00 30.76 H new ATOM 0 HB2 LEU A 73 15.216 -5.468 -1.058 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.107 -5.416 -2.566 1.00 30.53 H new ATOM 0 HG LEU A 73 16.731 -3.092 -2.082 1.00 30.16 H new ATOM 0 HD11 LEU A 73 16.736 -2.142 0.141 1.00 29.11 H new ATOM 0 HD12 LEU A 73 15.125 -2.231 -0.610 1.00 29.11 H new ATOM 0 HD13 LEU A 73 15.580 -3.391 0.660 1.00 29.11 H new ATOM 0 HD21 LEU A 73 18.421 -3.815 -0.278 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.397 -5.234 0.050 1.00 29.57 H new ATOM 0 HD23 LEU A 73 18.206 -5.065 -1.526 1.00 29.57 H new ATOM 1193 N ARG A 74 14.180 -5.741 -4.569 1.00 33.82 N ATOM 1194 CA ARG A 74 13.505 -6.763 -5.306 1.00 35.33 C ATOM 1195 C ARG A 74 14.012 -8.133 -5.011 1.00 36.22 C ATOM 1196 O ARG A 74 15.118 -8.253 -4.487 1.00 36.70 O ATOM 1197 CB ARG A 74 13.474 -6.322 -6.779 1.00 36.91 C ATOM 1198 CG ARG A 74 14.728 -6.283 -7.656 1.00 38.62 C ATOM 1199 CD ARG A 74 14.682 -6.083 -9.172 1.00 39.75 C ATOM 1200 NE ARG A 74 13.882 -4.897 -9.588 1.00 41.13 N ATOM 1201 CZ ARG A 74 13.740 -4.276 -10.795 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.371 -4.795 -11.889 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.043 -3.105 -10.871 1.00 41.93 N ATOM 0 H ARG A 74 14.991 -5.306 -5.010 1.00 33.82 H new ATOM 0 HA ARG A 74 12.468 -6.871 -4.986 1.00 35.33 H new ATOM 0 HB2 ARG A 74 12.761 -6.974 -7.284 1.00 36.91 H new ATOM 0 HB3 ARG A 74 13.052 -5.317 -6.794 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.358 -5.487 -7.259 1.00 38.62 H new ATOM 0 HG3 ARG A 74 15.254 -7.222 -7.484 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.699 -5.976 -9.548 1.00 39.75 H new ATOM 0 HD3 ARG A 74 14.263 -6.976 -9.636 1.00 39.75 H new ATOM 0 HE ARG A 74 13.343 -4.472 -8.834 1.00 41.13 H new ATOM 0 HH11 ARG A 74 14.940 -5.637 -11.798 1.00 42.75 H new ATOM 0 HH12 ARG A 74 14.273 -4.341 -12.797 1.00 42.75 H new ATOM 0 HH21 ARG A 74 12.633 -2.700 -10.029 1.00 41.93 H new ATOM 0 HH22 ARG A 74 12.932 -2.635 -11.769 1.00 41.93 H new ATOM 1217 N GLY A 75 13.194 -9.178 -5.232 1.00 36.31 N ATOM 1218 CA GLY A 75 13.588 -10.516 -4.920 1.00 36.07 C ATOM 1219 C GLY A 75 12.995 -11.013 -3.646 1.00 36.16 C ATOM 1220 O GLY A 75 13.676 -11.408 -2.702 1.00 36.26 O ATOM 0 H GLY A 75 12.258 -9.095 -5.628 1.00 36.31 H new ATOM 0 HA2 GLY A 75 13.291 -11.176 -5.735 1.00 36.07 H new ATOM 0 HA3 GLY A 75 14.675 -10.563 -4.852 1.00 36.07 H new ATOM 1224 N GLY A 76 11.663 -10.830 -3.589 1.00 36.05 N ATOM 1225 CA GLY A 76 10.848 -10.988 -2.425 1.00 36.19 C ATOM 1226 C GLY A 76 9.688 -10.018 -2.600 1.00 36.20 C ATOM 1227 O GLY A 76 9.508 -9.219 -1.643 1.00 36.13 O ATOM 1228 OXT GLY A 76 8.942 -10.005 -3.615 1.00 36.27 O ATOM 0 H GLY A 76 11.122 -10.554 -4.409 1.00 36.05 H new ATOM 0 HA2 GLY A 76 10.490 -12.014 -2.334 1.00 36.19 H new ATOM 0 HA3 GLY A 76 11.412 -10.765 -1.519 1.00 36.19 H new TER 1232 GLY A 76