USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot 180:sc= -0.134 USER MOD Set 1.2: A 41 GLN : amide:sc= -1.01 K(o=-1.1,f=-0.072) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.3 X(o=-0.58,f=-0.6) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.285 K(o=-0.58,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 2.38 (180deg=2.05) USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= 0.912 (180deg=-1.58!) USER MOD Single : A 7 MET CE :methyl 149:sc= -0.108 (180deg=-0.831) USER MOD Single : A 8 LYS NZ :NH3+ -150:sc= -0.077 (180deg=-0.652) USER MOD Single : A 12 MET CE :methyl 163:sc= -0.104 (180deg=-0.781) USER MOD Single : A 15 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.089) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 160:sc= -0.453 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 76:sc= 0.235 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00392) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0618 K(o=-0.062,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-0.12) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -168:sc= -1.14 (180deg=-1.47) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 1.06 K(o=1.1,f=-0.8) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0252) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.053 0.241 15.215 1.00 0.00 N ATOM 2 CA GLY A 1 3.715 0.161 15.833 1.00 0.00 C ATOM 3 C GLY A 1 2.610 0.095 14.777 1.00 0.00 C ATOM 4 O GLY A 1 1.666 -0.681 14.903 1.00 0.00 O ATOM 0 H1 GLY A 1 5.782 0.148 15.951 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.161 -0.526 14.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.160 1.158 14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.661 -0.720 16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.556 1.029 16.473 1.00 0.00 H new ATOM 10 N GLU A 2 2.739 0.927 13.746 1.00 0.00 N ATOM 11 CA GLU A 2 1.994 0.890 12.506 1.00 0.00 C ATOM 12 C GLU A 2 1.935 -0.528 11.918 1.00 0.00 C ATOM 13 O GLU A 2 2.822 -1.348 12.164 1.00 0.00 O ATOM 14 CB GLU A 2 2.657 1.893 11.549 1.00 0.00 C ATOM 15 CG GLU A 2 4.177 1.699 11.348 1.00 0.00 C ATOM 16 CD GLU A 2 5.052 2.538 12.278 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.032 2.245 13.497 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.722 3.452 11.758 1.00 0.00 O ATOM 0 H GLU A 2 3.413 1.692 13.764 1.00 0.00 H new ATOM 0 HA GLU A 2 0.954 1.170 12.676 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.166 1.825 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.481 2.901 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.418 0.646 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.428 1.943 10.316 1.00 0.00 H new ATOM 25 N VAL A 3 0.882 -0.820 11.148 1.00 0.00 N ATOM 26 CA VAL A 3 0.635 -2.126 10.585 1.00 0.00 C ATOM 27 C VAL A 3 0.955 -2.097 9.093 1.00 0.00 C ATOM 28 O VAL A 3 0.560 -1.172 8.381 1.00 0.00 O ATOM 29 CB VAL A 3 -0.782 -2.597 10.912 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.074 -2.523 12.416 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.835 -1.865 10.100 1.00 0.00 C ATOM 0 H VAL A 3 0.170 -0.132 10.901 1.00 0.00 H new ATOM 0 HA VAL A 3 1.294 -2.868 11.036 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.836 -3.646 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.091 -2.866 12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.370 -3.157 12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.969 -1.493 12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.824 -2.235 10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.778 -0.797 10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.660 -2.036 9.038 1.00 0.00 H new ATOM 41 N VAL A 4 1.705 -3.095 8.634 1.00 0.00 N ATOM 42 CA VAL A 4 2.117 -3.274 7.268 1.00 0.00 C ATOM 43 C VAL A 4 1.133 -4.199 6.546 1.00 0.00 C ATOM 44 O VAL A 4 1.006 -5.382 6.876 1.00 0.00 O ATOM 45 CB VAL A 4 3.590 -3.682 7.235 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.957 -4.635 8.347 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.984 -4.269 5.887 1.00 0.00 C ATOM 0 H VAL A 4 2.054 -3.832 9.246 1.00 0.00 H new ATOM 0 HA VAL A 4 2.074 -2.345 6.699 1.00 0.00 H new ATOM 0 HB VAL A 4 4.155 -2.763 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.014 -4.890 8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.764 -4.162 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.358 -5.542 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.038 -4.546 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.380 -5.153 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.817 -3.528 5.105 1.00 0.00 H new ATOM 57 N LEU A 5 0.445 -3.643 5.546 1.00 0.00 N ATOM 58 CA LEU A 5 -0.375 -4.392 4.616 1.00 0.00 C ATOM 59 C LEU A 5 0.557 -4.809 3.497 1.00 0.00 C ATOM 60 O LEU A 5 1.212 -3.963 2.889 1.00 0.00 O ATOM 61 CB LEU A 5 -1.499 -3.528 4.036 1.00 0.00 C ATOM 62 CG LEU A 5 -2.561 -3.116 5.059 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.557 -2.181 4.364 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.309 -4.318 5.649 1.00 0.00 C ATOM 0 H LEU A 5 0.448 -2.639 5.364 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.845 -5.239 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.063 -2.630 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.982 -4.075 3.226 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.061 -2.617 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.324 -1.874 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.032 -1.300 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.024 -2.703 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.050 -3.968 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.809 -4.864 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.600 -4.977 6.150 1.00 0.00 H new ATOM 76 N LYS A 6 0.614 -6.111 3.239 1.00 0.00 N ATOM 77 CA LYS A 6 1.372 -6.676 2.150 1.00 0.00 C ATOM 78 C LYS A 6 0.319 -7.070 1.111 1.00 0.00 C ATOM 79 O LYS A 6 -0.486 -7.977 1.352 1.00 0.00 O ATOM 80 CB LYS A 6 2.171 -7.874 2.681 1.00 0.00 C ATOM 81 CG LYS A 6 3.669 -7.857 2.367 1.00 0.00 C ATOM 82 CD LYS A 6 4.504 -7.121 3.427 1.00 0.00 C ATOM 83 CE LYS A 6 5.856 -7.826 3.622 1.00 0.00 C ATOM 84 NZ LYS A 6 5.781 -8.930 4.606 1.00 0.00 N ATOM 0 H LYS A 6 0.122 -6.809 3.797 1.00 0.00 H new ATOM 0 HA LYS A 6 2.100 -5.997 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.045 -7.922 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.741 -8.787 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.027 -8.883 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.825 -7.383 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.665 -6.088 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.961 -7.092 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.199 -8.219 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.598 -7.099 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.417 -9.700 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.069 -8.581 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.805 -9.286 4.654 1.00 0.00 H new ATOM 98 N MET A 7 0.273 -6.342 -0.006 1.00 0.00 N ATOM 99 CA MET A 7 -0.649 -6.587 -1.099 1.00 0.00 C ATOM 100 C MET A 7 0.143 -6.885 -2.362 1.00 0.00 C ATOM 101 O MET A 7 1.193 -6.289 -2.569 1.00 0.00 O ATOM 102 CB MET A 7 -1.578 -5.382 -1.303 1.00 0.00 C ATOM 103 CG MET A 7 -0.828 -4.070 -1.404 1.00 0.00 C ATOM 104 SD MET A 7 -1.771 -2.614 -1.922 1.00 0.00 S ATOM 105 CE MET A 7 -2.723 -2.272 -0.424 1.00 0.00 C ATOM 0 H MET A 7 0.893 -5.549 -0.173 1.00 0.00 H new ATOM 0 HA MET A 7 -1.275 -7.447 -0.860 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.164 -5.531 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.283 -5.329 -0.474 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.387 -3.858 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.004 -4.205 -2.105 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.904 -1.200 -0.345 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.676 -2.799 -0.471 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.164 -2.611 0.448 1.00 0.00 H new ATOM 115 N LYS A 8 -0.357 -7.777 -3.215 1.00 0.00 N ATOM 116 CA LYS A 8 0.267 -8.025 -4.510 1.00 0.00 C ATOM 117 C LYS A 8 -0.511 -7.328 -5.597 1.00 0.00 C ATOM 118 O LYS A 8 -1.710 -7.552 -5.684 1.00 0.00 O ATOM 119 CB LYS A 8 0.378 -9.509 -4.798 1.00 0.00 C ATOM 120 CG LYS A 8 1.493 -10.034 -3.900 1.00 0.00 C ATOM 121 CD LYS A 8 0.964 -10.818 -2.705 1.00 0.00 C ATOM 122 CE LYS A 8 1.429 -12.280 -2.752 1.00 0.00 C ATOM 123 NZ LYS A 8 1.115 -12.929 -4.046 1.00 0.00 N ATOM 0 H LYS A 8 -1.189 -8.337 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 8 1.279 -7.622 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.563 -10.018 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.609 -9.686 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.155 -10.673 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.092 -9.196 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.308 -10.354 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.125 -10.780 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.504 -12.323 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.953 -12.836 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.959 -13.946 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.256 -12.503 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.909 -12.794 -4.704 1.00 0.00 H new ATOM 137 N VAL A 9 0.158 -6.475 -6.370 1.00 0.00 N ATOM 138 CA VAL A 9 -0.500 -5.541 -7.258 1.00 0.00 C ATOM 139 C VAL A 9 0.165 -5.591 -8.632 1.00 0.00 C ATOM 140 O VAL A 9 1.220 -4.995 -8.847 1.00 0.00 O ATOM 141 CB VAL A 9 -0.550 -4.162 -6.571 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.824 -3.569 -6.251 1.00 0.00 C ATOM 143 CG2 VAL A 9 -1.318 -3.140 -7.402 1.00 0.00 C ATOM 0 H VAL A 9 1.176 -6.418 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.540 -5.803 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.064 -4.358 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.699 -2.599 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.363 -4.240 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.391 -3.445 -7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.329 -2.182 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.833 -3.021 -8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.341 -3.485 -7.548 1.00 0.00 H new ATOM 153 N GLU A 10 -0.409 -6.364 -9.554 1.00 0.00 N ATOM 154 CA GLU A 10 0.228 -6.611 -10.830 1.00 0.00 C ATOM 155 C GLU A 10 0.262 -5.334 -11.673 1.00 0.00 C ATOM 156 O GLU A 10 -0.687 -4.548 -11.671 1.00 0.00 O ATOM 157 CB GLU A 10 -0.459 -7.764 -11.572 1.00 0.00 C ATOM 158 CG GLU A 10 -0.544 -9.060 -10.763 1.00 0.00 C ATOM 159 CD GLU A 10 -1.851 -9.241 -9.993 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.200 -8.314 -9.234 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.473 -10.311 -10.169 1.00 0.00 O ATOM 0 H GLU A 10 -1.311 -6.825 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 10 1.259 -6.913 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.466 -7.455 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.082 -7.960 -12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.415 -9.905 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.286 -9.088 -10.057 1.00 0.00 H new ATOM 168 N GLY A 11 1.361 -5.150 -12.408 1.00 0.00 N ATOM 169 CA GLY A 11 1.535 -4.067 -13.368 1.00 0.00 C ATOM 170 C GLY A 11 2.788 -3.238 -13.094 1.00 0.00 C ATOM 171 O GLY A 11 3.544 -2.941 -14.019 1.00 0.00 O ATOM 0 H GLY A 11 2.171 -5.766 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.591 -4.483 -14.374 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.660 -3.417 -13.340 1.00 0.00 H new ATOM 175 N MET A 12 3.005 -2.827 -11.841 1.00 0.00 N ATOM 176 CA MET A 12 4.075 -1.891 -11.519 1.00 0.00 C ATOM 177 C MET A 12 5.451 -2.561 -11.559 1.00 0.00 C ATOM 178 O MET A 12 6.010 -2.940 -10.532 1.00 0.00 O ATOM 179 CB MET A 12 3.822 -1.216 -10.175 1.00 0.00 C ATOM 180 CG MET A 12 2.559 -0.341 -10.194 1.00 0.00 C ATOM 181 SD MET A 12 1.214 -0.854 -9.102 1.00 0.00 S ATOM 182 CE MET A 12 2.012 -0.588 -7.505 1.00 0.00 C ATOM 0 H MET A 12 2.453 -3.129 -11.038 1.00 0.00 H new ATOM 0 HA MET A 12 4.076 -1.118 -12.288 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.723 -1.977 -9.401 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.683 -0.602 -9.911 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.844 0.677 -9.930 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.179 -0.311 -11.215 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.256 -0.559 -6.721 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.710 -1.402 -7.307 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.553 0.358 -7.522 1.00 0.00 H new ATOM 192 N THR A 13 5.995 -2.666 -12.766 1.00 0.00 N ATOM 193 CA THR A 13 7.280 -3.285 -13.065 1.00 0.00 C ATOM 194 C THR A 13 8.298 -2.225 -13.512 1.00 0.00 C ATOM 195 O THR A 13 9.158 -2.504 -14.346 1.00 0.00 O ATOM 196 CB THR A 13 7.061 -4.375 -14.128 1.00 0.00 C ATOM 197 OG1 THR A 13 5.852 -5.061 -13.862 1.00 0.00 O ATOM 198 CG2 THR A 13 8.182 -5.418 -14.153 1.00 0.00 C ATOM 0 H THR A 13 5.531 -2.306 -13.600 1.00 0.00 H new ATOM 0 HA THR A 13 7.695 -3.752 -12.172 1.00 0.00 H new ATOM 0 HB THR A 13 7.039 -3.865 -15.091 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.713 -5.754 -14.541 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.971 -6.160 -14.923 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.131 -4.928 -14.372 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.243 -5.910 -13.182 1.00 0.00 H new ATOM 206 N CYS A 14 8.221 -1.008 -12.968 1.00 0.00 N ATOM 207 CA CYS A 14 9.224 0.025 -13.162 1.00 0.00 C ATOM 208 C CYS A 14 9.134 0.966 -11.970 1.00 0.00 C ATOM 209 O CYS A 14 8.118 0.980 -11.275 1.00 0.00 O ATOM 210 CB CYS A 14 9.023 0.770 -14.488 1.00 0.00 C ATOM 211 SG CYS A 14 7.631 1.929 -14.556 1.00 0.00 S ATOM 0 H CYS A 14 7.446 -0.715 -12.373 1.00 0.00 H new ATOM 0 HA CYS A 14 10.218 -0.419 -13.222 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.937 1.320 -14.713 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.892 0.031 -15.279 1.00 0.00 H new ATOM 216 N HIS A 15 10.194 1.741 -11.728 1.00 0.00 N ATOM 217 CA HIS A 15 10.266 2.595 -10.555 1.00 0.00 C ATOM 218 C HIS A 15 9.436 3.879 -10.713 1.00 0.00 C ATOM 219 O HIS A 15 9.385 4.690 -9.791 1.00 0.00 O ATOM 220 CB HIS A 15 11.732 2.864 -10.191 1.00 0.00 C ATOM 221 CG HIS A 15 11.914 3.309 -8.760 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.024 4.607 -8.317 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.944 2.493 -7.659 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.129 4.570 -6.977 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.090 3.304 -6.530 1.00 0.00 N ATOM 0 H HIS A 15 11.013 1.790 -12.334 1.00 0.00 H new ATOM 0 HA HIS A 15 9.810 2.068 -9.717 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.314 1.958 -10.361 1.00 0.00 H new ATOM 0 HB3 HIS A 15 12.131 3.629 -10.857 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.868 1.416 -7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.231 5.440 -6.346 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.154 2.996 -5.560 1.00 0.00 H new ATOM 233 N SER A 16 8.789 4.089 -11.865 1.00 0.00 N ATOM 234 CA SER A 16 7.899 5.223 -12.061 1.00 0.00 C ATOM 235 C SER A 16 6.570 4.960 -11.356 1.00 0.00 C ATOM 236 O SER A 16 6.202 5.708 -10.453 1.00 0.00 O ATOM 237 CB SER A 16 7.703 5.518 -13.552 1.00 0.00 C ATOM 238 OG SER A 16 8.956 5.793 -14.144 1.00 0.00 O ATOM 0 H SER A 16 8.871 3.479 -12.678 1.00 0.00 H new ATOM 0 HA SER A 16 8.351 6.112 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.235 4.666 -14.044 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.033 6.368 -13.681 1.00 0.00 H new ATOM 0 HG SER A 16 8.833 5.980 -15.098 1.00 0.00 H new ATOM 244 N CYS A 17 5.851 3.907 -11.760 1.00 0.00 N ATOM 245 CA CYS A 17 4.517 3.621 -11.248 1.00 0.00 C ATOM 246 C CYS A 17 4.534 3.503 -9.724 1.00 0.00 C ATOM 247 O CYS A 17 3.719 4.117 -9.033 1.00 0.00 O ATOM 248 CB CYS A 17 3.969 2.343 -11.893 1.00 0.00 C ATOM 249 SG CYS A 17 4.052 2.268 -13.700 1.00 0.00 S ATOM 0 H CYS A 17 6.182 3.233 -12.450 1.00 0.00 H new ATOM 0 HA CYS A 17 3.858 4.449 -11.508 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.517 1.492 -11.488 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.928 2.225 -11.592 1.00 0.00 H new ATOM 254 N THR A 18 5.486 2.717 -9.211 1.00 0.00 N ATOM 255 CA THR A 18 5.701 2.550 -7.787 1.00 0.00 C ATOM 256 C THR A 18 5.832 3.920 -7.130 1.00 0.00 C ATOM 257 O THR A 18 5.018 4.267 -6.286 1.00 0.00 O ATOM 258 CB THR A 18 6.941 1.682 -7.536 1.00 0.00 C ATOM 259 OG1 THR A 18 8.076 2.303 -8.097 1.00 0.00 O ATOM 260 CG2 THR A 18 6.794 0.290 -8.156 1.00 0.00 C ATOM 0 H THR A 18 6.131 2.177 -9.787 1.00 0.00 H new ATOM 0 HA THR A 18 4.847 2.038 -7.343 1.00 0.00 H new ATOM 0 HB THR A 18 7.052 1.574 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.886 1.942 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.692 -0.294 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.930 -0.213 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.654 0.384 -9.233 1.00 0.00 H new ATOM 268 N SER A 19 6.831 4.704 -7.546 1.00 0.00 N ATOM 269 CA SER A 19 7.100 6.047 -7.043 1.00 0.00 C ATOM 270 C SER A 19 5.841 6.925 -7.068 1.00 0.00 C ATOM 271 O SER A 19 5.517 7.558 -6.066 1.00 0.00 O ATOM 272 CB SER A 19 8.255 6.666 -7.839 1.00 0.00 C ATOM 273 OG SER A 19 8.596 7.945 -7.343 1.00 0.00 O ATOM 0 H SER A 19 7.493 4.409 -8.264 1.00 0.00 H new ATOM 0 HA SER A 19 7.399 5.981 -5.997 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.125 6.011 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.974 6.744 -8.889 1.00 0.00 H new ATOM 0 HG SER A 19 9.336 8.313 -7.869 1.00 0.00 H new ATOM 279 N THR A 20 5.102 6.961 -8.182 1.00 0.00 N ATOM 280 CA THR A 20 3.854 7.710 -8.273 1.00 0.00 C ATOM 281 C THR A 20 2.887 7.301 -7.157 1.00 0.00 C ATOM 282 O THR A 20 2.362 8.154 -6.437 1.00 0.00 O ATOM 283 CB THR A 20 3.235 7.513 -9.665 1.00 0.00 C ATOM 284 OG1 THR A 20 4.131 7.988 -10.648 1.00 0.00 O ATOM 285 CG2 THR A 20 1.903 8.255 -9.819 1.00 0.00 C ATOM 0 H THR A 20 5.355 6.472 -9.041 1.00 0.00 H new ATOM 0 HA THR A 20 4.062 8.771 -8.138 1.00 0.00 H new ATOM 0 HB THR A 20 3.046 6.447 -9.788 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.861 7.345 -10.763 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.505 8.085 -10.820 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.193 7.886 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.062 9.323 -9.668 1.00 0.00 H new ATOM 293 N ILE A 21 2.640 5.998 -7.014 1.00 0.00 N ATOM 294 CA ILE A 21 1.767 5.470 -5.988 1.00 0.00 C ATOM 295 C ILE A 21 2.328 5.802 -4.601 1.00 0.00 C ATOM 296 O ILE A 21 1.574 6.195 -3.716 1.00 0.00 O ATOM 297 CB ILE A 21 1.578 3.977 -6.304 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.439 3.834 -7.315 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.268 3.153 -5.075 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.469 2.521 -8.095 1.00 0.00 C ATOM 0 H ILE A 21 3.047 5.282 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 21 0.777 5.925 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 21 2.517 3.600 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.513 3.912 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.484 4.665 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.145 2.108 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.088 3.241 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.348 3.515 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.369 2.492 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.405 2.448 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.393 1.684 -7.401 1.00 0.00 H new ATOM 312 N GLU A 22 3.642 5.701 -4.422 1.00 0.00 N ATOM 313 CA GLU A 22 4.338 6.054 -3.198 1.00 0.00 C ATOM 314 C GLU A 22 4.059 7.510 -2.821 1.00 0.00 C ATOM 315 O GLU A 22 3.656 7.786 -1.693 1.00 0.00 O ATOM 316 CB GLU A 22 5.835 5.682 -3.308 1.00 0.00 C ATOM 317 CG GLU A 22 6.053 4.402 -2.493 1.00 0.00 C ATOM 318 CD GLU A 22 7.460 3.821 -2.494 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.416 4.623 -2.553 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.551 2.578 -2.367 1.00 0.00 O ATOM 0 H GLU A 22 4.268 5.360 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 22 3.955 5.468 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.116 5.526 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.460 6.490 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.769 4.604 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.370 3.640 -2.868 1.00 0.00 H new ATOM 327 N GLY A 23 4.195 8.431 -3.773 1.00 0.00 N ATOM 328 CA GLY A 23 3.813 9.819 -3.599 1.00 0.00 C ATOM 329 C GLY A 23 2.346 9.937 -3.179 1.00 0.00 C ATOM 330 O GLY A 23 2.031 10.544 -2.154 1.00 0.00 O ATOM 0 H GLY A 23 4.579 8.226 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.449 10.283 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.973 10.363 -4.530 1.00 0.00 H new ATOM 334 N LYS A 24 1.441 9.368 -3.986 1.00 0.00 N ATOM 335 CA LYS A 24 0.006 9.502 -3.770 1.00 0.00 C ATOM 336 C LYS A 24 -0.388 9.025 -2.372 1.00 0.00 C ATOM 337 O LYS A 24 -1.070 9.729 -1.631 1.00 0.00 O ATOM 338 CB LYS A 24 -0.764 8.734 -4.858 1.00 0.00 C ATOM 339 CG LYS A 24 -2.145 9.351 -5.131 1.00 0.00 C ATOM 340 CD LYS A 24 -2.036 10.453 -6.198 1.00 0.00 C ATOM 341 CE LYS A 24 -3.425 10.998 -6.568 1.00 0.00 C ATOM 342 NZ LYS A 24 -3.385 11.836 -7.785 1.00 0.00 N ATOM 0 H LYS A 24 1.687 8.806 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.259 10.557 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.181 8.728 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.885 7.695 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.836 8.578 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.554 9.766 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.410 11.264 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.548 10.056 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.111 10.166 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.818 11.584 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.342 12.183 -7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.750 12.645 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.035 11.270 -8.585 1.00 0.00 H new ATOM 356 N ILE A 25 0.025 7.806 -2.040 1.00 0.00 N ATOM 357 CA ILE A 25 -0.323 7.135 -0.801 1.00 0.00 C ATOM 358 C ILE A 25 0.394 7.793 0.378 1.00 0.00 C ATOM 359 O ILE A 25 -0.238 8.091 1.389 1.00 0.00 O ATOM 360 CB ILE A 25 -0.102 5.619 -0.927 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.920 4.986 -2.061 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.350 4.901 0.403 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.392 4.870 -1.702 1.00 0.00 C ATOM 0 H ILE A 25 0.627 7.246 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.387 7.252 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 25 0.947 5.488 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.813 5.586 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.522 3.997 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.184 3.831 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.335 5.287 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.378 5.073 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.934 4.417 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.502 4.248 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.797 5.862 -1.502 1.00 0.00 H new ATOM 375 N GLY A 26 1.693 8.071 0.245 1.00 0.00 N ATOM 376 CA GLY A 26 2.469 8.781 1.254 1.00 0.00 C ATOM 377 C GLY A 26 1.776 10.066 1.711 1.00 0.00 C ATOM 378 O GLY A 26 1.820 10.415 2.888 1.00 0.00 O ATOM 0 H GLY A 26 2.237 7.805 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.628 8.130 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.452 9.023 0.851 1.00 0.00 H new ATOM 382 N LYS A 27 1.129 10.770 0.779 1.00 0.00 N ATOM 383 CA LYS A 27 0.442 12.018 1.035 1.00 0.00 C ATOM 384 C LYS A 27 -0.878 11.845 1.817 1.00 0.00 C ATOM 385 O LYS A 27 -1.453 12.847 2.240 1.00 0.00 O ATOM 386 CB LYS A 27 0.295 12.702 -0.333 1.00 0.00 C ATOM 387 CG LYS A 27 -0.540 13.978 -0.333 1.00 0.00 C ATOM 388 CD LYS A 27 -0.325 14.734 -1.654 1.00 0.00 C ATOM 389 CE LYS A 27 -1.632 15.364 -2.149 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.430 16.160 -3.378 1.00 0.00 N ATOM 0 H LYS A 27 1.073 10.473 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 27 1.015 12.655 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.289 12.937 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.153 11.993 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.595 13.734 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.258 14.610 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.426 15.511 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.061 14.050 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.363 14.579 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.046 16.001 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.337 16.569 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.752 16.925 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.059 15.547 -4.132 1.00 0.00 H new ATOM 404 N LEU A 28 -1.384 10.625 2.031 1.00 0.00 N ATOM 405 CA LEU A 28 -2.607 10.415 2.789 1.00 0.00 C ATOM 406 C LEU A 28 -2.342 10.439 4.292 1.00 0.00 C ATOM 407 O LEU A 28 -1.506 9.692 4.807 1.00 0.00 O ATOM 408 CB LEU A 28 -3.228 9.085 2.432 1.00 0.00 C ATOM 409 CG LEU A 28 -3.566 8.941 0.941 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.631 7.858 0.848 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.126 10.202 0.264 1.00 0.00 C ATOM 0 H LEU A 28 -0.956 9.767 1.684 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.288 11.227 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.544 8.286 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.138 8.951 3.016 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.634 8.717 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.911 7.712 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.238 6.925 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.508 8.160 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.330 9.991 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.049 10.502 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.396 11.008 0.337 1.00 0.00 H new ATOM 423 N GLN A 29 -3.113 11.252 5.013 1.00 0.00 N ATOM 424 CA GLN A 29 -3.031 11.296 6.459 1.00 0.00 C ATOM 425 C GLN A 29 -3.515 9.976 7.052 1.00 0.00 C ATOM 426 O GLN A 29 -4.707 9.680 7.043 1.00 0.00 O ATOM 427 CB GLN A 29 -3.815 12.492 7.003 1.00 0.00 C ATOM 428 CG GLN A 29 -3.871 12.494 8.536 1.00 0.00 C ATOM 429 CD GLN A 29 -4.302 13.855 9.075 1.00 0.00 C ATOM 430 OE1 GLN A 29 -3.504 14.576 9.663 1.00 0.00 O ATOM 431 NE2 GLN A 29 -5.562 14.228 8.873 1.00 0.00 N ATOM 0 H GLN A 29 -3.801 11.888 4.611 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.991 11.430 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.353 13.416 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.829 12.473 6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.568 11.728 8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.891 12.235 8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.205 13.608 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.886 15.134 9.211 1.00 0.00 H new ATOM 440 N GLY A 30 -2.570 9.207 7.584 1.00 0.00 N ATOM 441 CA GLY A 30 -2.807 7.897 8.169 1.00 0.00 C ATOM 442 C GLY A 30 -1.747 6.881 7.776 1.00 0.00 C ATOM 443 O GLY A 30 -1.629 5.836 8.420 1.00 0.00 O ATOM 0 H GLY A 30 -1.590 9.489 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.833 7.987 9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.786 7.535 7.855 1.00 0.00 H new ATOM 447 N VAL A 31 -0.972 7.185 6.733 1.00 0.00 N ATOM 448 CA VAL A 31 0.166 6.368 6.356 1.00 0.00 C ATOM 449 C VAL A 31 1.373 6.711 7.224 1.00 0.00 C ATOM 450 O VAL A 31 1.492 7.826 7.727 1.00 0.00 O ATOM 451 CB VAL A 31 0.444 6.573 4.855 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.786 5.997 4.379 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.667 5.899 4.051 1.00 0.00 C ATOM 0 H VAL A 31 -1.120 7.998 6.135 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.048 5.312 6.523 1.00 0.00 H new ATOM 0 HB VAL A 31 0.482 7.651 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.904 6.184 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.601 6.475 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.807 4.923 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.481 6.038 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.687 4.834 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.627 6.344 4.312 1.00 0.00 H new ATOM 463 N GLN A 32 2.248 5.720 7.403 1.00 0.00 N ATOM 464 CA GLN A 32 3.456 5.796 8.208 1.00 0.00 C ATOM 465 C GLN A 32 4.686 5.474 7.353 1.00 0.00 C ATOM 466 O GLN A 32 5.686 6.190 7.409 1.00 0.00 O ATOM 467 CB GLN A 32 3.301 4.827 9.383 1.00 0.00 C ATOM 468 CG GLN A 32 2.389 5.418 10.464 1.00 0.00 C ATOM 469 CD GLN A 32 3.189 6.106 11.567 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.113 6.866 11.292 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.843 5.863 12.828 1.00 0.00 N ATOM 0 H GLN A 32 2.123 4.805 6.970 1.00 0.00 H new ATOM 0 HA GLN A 32 3.602 6.804 8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.887 3.883 9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.280 4.606 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.705 6.135 10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.779 4.626 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.072 5.228 13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.349 6.312 13.591 1.00 0.00 H new ATOM 480 N ARG A 33 4.621 4.409 6.550 1.00 0.00 N ATOM 481 CA ARG A 33 5.685 3.983 5.655 1.00 0.00 C ATOM 482 C ARG A 33 5.016 3.340 4.454 1.00 0.00 C ATOM 483 O ARG A 33 3.829 3.017 4.481 1.00 0.00 O ATOM 484 CB ARG A 33 6.626 2.988 6.361 1.00 0.00 C ATOM 485 CG ARG A 33 8.109 3.362 6.253 1.00 0.00 C ATOM 486 CD ARG A 33 8.401 4.666 7.006 1.00 0.00 C ATOM 487 NE ARG A 33 9.711 4.639 7.672 1.00 0.00 N ATOM 488 CZ ARG A 33 10.147 5.604 8.498 1.00 0.00 C ATOM 489 NH1 ARG A 33 9.447 6.738 8.614 1.00 0.00 N ATOM 490 NH2 ARG A 33 11.269 5.424 9.203 1.00 0.00 N ATOM 0 H ARG A 33 3.800 3.806 6.508 1.00 0.00 H new ATOM 0 HA ARG A 33 6.298 4.830 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.351 2.926 7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.478 1.996 5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.722 2.557 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.385 3.473 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.367 5.502 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.621 4.838 7.748 1.00 0.00 H new ATOM 0 HE ARG A 33 10.324 3.842 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.589 6.865 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.771 7.476 9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.794 4.554 9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.600 6.157 9.830 1.00 0.00 H new ATOM 504 N ILE A 34 5.777 3.148 3.388 1.00 0.00 N ATOM 505 CA ILE A 34 5.295 2.540 2.190 1.00 0.00 C ATOM 506 C ILE A 34 6.520 1.976 1.486 1.00 0.00 C ATOM 507 O ILE A 34 7.587 2.595 1.527 1.00 0.00 O ATOM 508 CB ILE A 34 4.487 3.565 1.390 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.065 2.903 0.079 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.198 4.913 1.187 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.831 3.574 -0.520 1.00 0.00 C ATOM 0 H ILE A 34 6.759 3.419 3.345 1.00 0.00 H new ATOM 0 HA ILE A 34 4.598 1.719 2.355 1.00 0.00 H new ATOM 0 HB ILE A 34 3.605 3.844 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.888 2.951 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.856 1.848 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.556 5.580 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.410 5.362 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.132 4.754 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.562 3.075 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.001 3.503 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.048 4.623 -0.720 1.00 0.00 H new ATOM 523 N LYS A 35 6.383 0.765 0.946 1.00 0.00 N ATOM 524 CA LYS A 35 7.425 0.075 0.223 1.00 0.00 C ATOM 525 C LYS A 35 6.861 -0.692 -0.981 1.00 0.00 C ATOM 526 O LYS A 35 6.447 -1.842 -0.857 1.00 0.00 O ATOM 527 CB LYS A 35 8.334 -0.729 1.172 1.00 0.00 C ATOM 528 CG LYS A 35 9.527 0.048 1.745 1.00 0.00 C ATOM 529 CD LYS A 35 10.521 0.490 0.662 1.00 0.00 C ATOM 530 CE LYS A 35 11.685 1.293 1.248 1.00 0.00 C ATOM 531 NZ LYS A 35 11.259 2.664 1.599 1.00 0.00 N ATOM 0 H LYS A 35 5.516 0.231 1.007 1.00 0.00 H new ATOM 0 HA LYS A 35 8.097 0.807 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.730 -1.100 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.711 -1.601 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.162 0.926 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.044 -0.575 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.909 -0.388 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.002 1.094 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.069 0.789 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.502 1.335 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.074 3.198 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.883 3.138 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.519 2.622 2.329 1.00 0.00 H new ATOM 545 N VAL A 36 6.808 -0.054 -2.152 1.00 0.00 N ATOM 546 CA VAL A 36 6.236 -0.663 -3.346 1.00 0.00 C ATOM 547 C VAL A 36 7.332 -1.357 -4.163 1.00 0.00 C ATOM 548 O VAL A 36 7.968 -0.750 -5.023 1.00 0.00 O ATOM 549 CB VAL A 36 5.396 0.363 -4.117 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.655 -0.325 -5.267 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.334 0.977 -3.193 1.00 0.00 C ATOM 0 H VAL A 36 7.159 0.893 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 36 5.537 -1.455 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 36 6.069 1.133 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.061 0.411 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.377 -0.779 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.998 -1.097 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.743 1.704 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.680 0.190 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.824 1.473 -2.355 1.00 0.00 H new ATOM 561 N SER A 37 7.551 -2.645 -3.881 1.00 0.00 N ATOM 562 CA SER A 37 8.627 -3.443 -4.448 1.00 0.00 C ATOM 563 C SER A 37 8.233 -4.017 -5.810 1.00 0.00 C ATOM 564 O SER A 37 7.402 -4.923 -5.879 1.00 0.00 O ATOM 565 CB SER A 37 8.984 -4.561 -3.476 1.00 0.00 C ATOM 566 OG SER A 37 9.288 -4.021 -2.203 1.00 0.00 O ATOM 0 H SER A 37 6.964 -3.170 -3.233 1.00 0.00 H new ATOM 0 HA SER A 37 9.496 -2.804 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.152 -5.261 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.838 -5.123 -3.854 1.00 0.00 H new ATOM 0 HG SER A 37 9.514 -4.747 -1.585 1.00 0.00 H new ATOM 572 N LEU A 38 8.857 -3.514 -6.880 1.00 0.00 N ATOM 573 CA LEU A 38 8.625 -3.986 -8.237 1.00 0.00 C ATOM 574 C LEU A 38 9.035 -5.450 -8.423 1.00 0.00 C ATOM 575 O LEU A 38 8.255 -6.238 -8.953 1.00 0.00 O ATOM 576 CB LEU A 38 9.229 -3.071 -9.315 1.00 0.00 C ATOM 577 CG LEU A 38 10.712 -2.692 -9.209 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.169 -2.191 -10.582 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.956 -1.590 -8.169 1.00 0.00 C ATOM 0 H LEU A 38 9.543 -2.761 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 38 7.546 -3.938 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.079 -3.553 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.651 -2.147 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 38 11.273 -3.571 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.222 -1.914 -10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.033 -2.981 -11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.577 -1.321 -10.868 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.020 -1.356 -8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.398 -0.696 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.624 -1.934 -7.189 1.00 0.00 H new ATOM 591 N ASP A 39 10.248 -5.820 -7.998 1.00 0.00 N ATOM 592 CA ASP A 39 10.871 -7.114 -8.262 1.00 0.00 C ATOM 593 C ASP A 39 9.918 -8.254 -7.947 1.00 0.00 C ATOM 594 O ASP A 39 9.585 -9.069 -8.805 1.00 0.00 O ATOM 595 CB ASP A 39 12.123 -7.306 -7.393 1.00 0.00 C ATOM 596 CG ASP A 39 13.085 -6.129 -7.456 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.615 -5.012 -7.135 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.257 -6.364 -7.812 1.00 0.00 O ATOM 0 H ASP A 39 10.840 -5.203 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 39 11.136 -7.126 -9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.818 -7.462 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.643 -8.209 -7.712 1.00 0.00 H new ATOM 603 N ASN A 40 9.496 -8.296 -6.681 1.00 0.00 N ATOM 604 CA ASN A 40 8.618 -9.335 -6.179 1.00 0.00 C ATOM 605 C ASN A 40 7.148 -8.896 -6.290 1.00 0.00 C ATOM 606 O ASN A 40 6.290 -9.421 -5.586 1.00 0.00 O ATOM 607 CB ASN A 40 9.019 -9.712 -4.754 1.00 0.00 C ATOM 608 CG ASN A 40 8.483 -11.075 -4.310 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.910 -11.834 -5.085 1.00 0.00 O ATOM 610 ND2 ASN A 40 8.715 -11.429 -3.048 1.00 0.00 N ATOM 0 H ASN A 40 9.759 -7.604 -5.979 1.00 0.00 H new ATOM 0 HA ASN A 40 8.722 -10.232 -6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.106 -9.716 -4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.656 -8.947 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.415 -12.344 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.193 -10.785 -2.417 1.00 0.00 H new ATOM 617 N GLN A 41 6.886 -7.892 -7.139 1.00 0.00 N ATOM 618 CA GLN A 41 5.625 -7.208 -7.389 1.00 0.00 C ATOM 619 C GLN A 41 4.685 -7.187 -6.174 1.00 0.00 C ATOM 620 O GLN A 41 3.565 -7.701 -6.224 1.00 0.00 O ATOM 621 CB GLN A 41 5.020 -7.752 -8.694 1.00 0.00 C ATOM 622 CG GLN A 41 4.334 -6.659 -9.522 1.00 0.00 C ATOM 623 CD GLN A 41 3.957 -7.187 -10.903 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.354 -8.247 -11.025 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.300 -6.477 -11.975 1.00 0.00 N ATOM 0 H GLN A 41 7.630 -7.507 -7.721 1.00 0.00 H new ATOM 0 HA GLN A 41 5.808 -6.144 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.806 -8.215 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.297 -8.533 -8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.441 -6.310 -9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.999 -5.801 -9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.802 -5.596 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.061 -6.814 -12.908 1.00 0.00 H new ATOM 634 N GLU A 42 5.151 -6.569 -5.081 1.00 0.00 N ATOM 635 CA GLU A 42 4.447 -6.533 -3.803 1.00 0.00 C ATOM 636 C GLU A 42 4.543 -5.136 -3.184 1.00 0.00 C ATOM 637 O GLU A 42 5.616 -4.535 -3.126 1.00 0.00 O ATOM 638 CB GLU A 42 4.966 -7.644 -2.870 1.00 0.00 C ATOM 639 CG GLU A 42 4.133 -7.759 -1.581 1.00 0.00 C ATOM 640 CD GLU A 42 4.424 -9.037 -0.800 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.335 -8.992 0.056 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.693 -10.026 -1.033 1.00 0.00 O ATOM 0 H GLU A 42 6.042 -6.074 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 42 3.388 -6.733 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.948 -8.597 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.006 -7.443 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.335 -6.897 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.073 -7.727 -1.835 1.00 0.00 H new ATOM 649 N ALA A 43 3.398 -4.625 -2.732 1.00 0.00 N ATOM 650 CA ALA A 43 3.223 -3.336 -2.095 1.00 0.00 C ATOM 651 C ALA A 43 3.096 -3.527 -0.582 1.00 0.00 C ATOM 652 O ALA A 43 2.122 -4.098 -0.094 1.00 0.00 O ATOM 653 CB ALA A 43 2.028 -2.595 -2.711 1.00 0.00 C ATOM 0 H ALA A 43 2.519 -5.137 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 43 4.097 -2.708 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.908 -1.628 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.203 -2.444 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.123 -3.186 -2.572 1.00 0.00 H new ATOM 659 N THR A 44 4.109 -3.043 0.135 1.00 0.00 N ATOM 660 CA THR A 44 4.217 -2.958 1.583 1.00 0.00 C ATOM 661 C THR A 44 3.656 -1.605 2.008 1.00 0.00 C ATOM 662 O THR A 44 4.407 -0.647 2.149 1.00 0.00 O ATOM 663 CB THR A 44 5.719 -3.055 1.902 1.00 0.00 C ATOM 664 OG1 THR A 44 6.205 -4.290 1.409 1.00 0.00 O ATOM 665 CG2 THR A 44 6.034 -3.041 3.397 1.00 0.00 C ATOM 0 H THR A 44 4.941 -2.671 -0.323 1.00 0.00 H new ATOM 0 HA THR A 44 3.670 -3.743 2.105 1.00 0.00 H new ATOM 0 HB THR A 44 6.184 -2.183 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.163 -4.366 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.112 -3.113 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.669 -2.113 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.546 -3.888 3.880 1.00 0.00 H new ATOM 673 N ILE A 45 2.344 -1.492 2.185 1.00 0.00 N ATOM 674 CA ILE A 45 1.713 -0.226 2.532 1.00 0.00 C ATOM 675 C ILE A 45 1.588 -0.194 4.057 1.00 0.00 C ATOM 676 O ILE A 45 0.869 -1.023 4.612 1.00 0.00 O ATOM 677 CB ILE A 45 0.355 -0.121 1.821 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.421 -0.406 0.307 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.265 1.248 2.097 1.00 0.00 C ATOM 680 CD1 ILE A 45 1.102 0.657 -0.549 1.00 0.00 C ATOM 0 H ILE A 45 1.692 -2.271 2.092 1.00 0.00 H new ATOM 0 HA ILE A 45 2.299 0.633 2.207 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.280 -0.905 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.943 -1.351 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.596 -0.542 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.228 1.320 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.408 1.373 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.398 2.029 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.088 0.347 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.571 1.603 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.134 0.782 -0.221 1.00 0.00 H new ATOM 692 N VAL A 46 2.309 0.698 4.748 1.00 0.00 N ATOM 693 CA VAL A 46 2.394 0.685 6.206 1.00 0.00 C ATOM 694 C VAL A 46 1.596 1.848 6.789 1.00 0.00 C ATOM 695 O VAL A 46 1.968 3.012 6.612 1.00 0.00 O ATOM 696 CB VAL A 46 3.855 0.680 6.681 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.920 0.249 8.147 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.720 -0.265 5.839 1.00 0.00 C ATOM 0 H VAL A 46 2.847 1.445 4.309 1.00 0.00 H new ATOM 0 HA VAL A 46 1.949 -0.239 6.576 1.00 0.00 H new ATOM 0 HB VAL A 46 4.244 1.692 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.958 0.247 8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.345 0.946 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.504 -0.753 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.747 -0.242 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.330 -1.280 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.699 0.054 4.797 1.00 0.00 H new ATOM 708 N TYR A 47 0.493 1.531 7.473 1.00 0.00 N ATOM 709 CA TYR A 47 -0.488 2.514 7.901 1.00 0.00 C ATOM 710 C TYR A 47 -0.830 2.384 9.376 1.00 0.00 C ATOM 711 O TYR A 47 -0.438 1.431 10.051 1.00 0.00 O ATOM 712 CB TYR A 47 -1.744 2.417 7.024 1.00 0.00 C ATOM 713 CG TYR A 47 -2.784 1.398 7.470 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.629 0.032 7.173 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.924 1.823 8.179 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.634 -0.883 7.546 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.960 0.923 8.463 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.814 -0.433 8.153 1.00 0.00 C ATOM 719 OH TYR A 47 -5.803 -1.319 8.461 1.00 0.00 O ATOM 0 H TYR A 47 0.260 0.576 7.744 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.047 3.503 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.216 3.399 6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.437 2.174 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.743 -0.314 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.000 2.849 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.494 -1.938 7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.872 1.277 8.921 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.551 -0.842 8.878 1.00 0.00 H new ATOM 729 N GLN A 48 -1.576 3.375 9.863 1.00 0.00 N ATOM 730 CA GLN A 48 -1.977 3.496 11.245 1.00 0.00 C ATOM 731 C GLN A 48 -3.469 3.154 11.389 1.00 0.00 C ATOM 732 O GLN A 48 -4.310 3.936 10.931 1.00 0.00 O ATOM 733 CB GLN A 48 -1.668 4.932 11.662 1.00 0.00 C ATOM 734 CG GLN A 48 -1.787 5.073 13.189 1.00 0.00 C ATOM 735 CD GLN A 48 -0.770 6.058 13.755 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.879 7.260 13.547 1.00 0.00 O ATOM 737 NE2 GLN A 48 0.230 5.561 14.479 1.00 0.00 N ATOM 0 H GLN A 48 -1.924 4.135 9.279 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.440 2.802 11.891 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.663 5.205 11.341 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.357 5.619 11.170 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.793 5.405 13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.645 4.098 13.655 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.295 4.555 14.636 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.931 6.186 14.877 1.00 0.00 H new ATOM 746 N PRO A 49 -3.821 2.008 12.001 1.00 0.00 N ATOM 747 CA PRO A 49 -5.191 1.517 12.046 1.00 0.00 C ATOM 748 C PRO A 49 -6.028 2.328 13.031 1.00 0.00 C ATOM 749 O PRO A 49 -6.307 1.888 14.141 1.00 0.00 O ATOM 750 CB PRO A 49 -5.084 0.034 12.416 1.00 0.00 C ATOM 751 CG PRO A 49 -3.833 0.002 13.291 1.00 0.00 C ATOM 752 CD PRO A 49 -2.928 1.045 12.630 1.00 0.00 C ATOM 0 HA PRO A 49 -5.706 1.628 11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.965 -0.315 12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.979 -0.598 11.534 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.057 0.259 14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.372 -0.985 13.301 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.288 1.530 13.367 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.272 0.582 11.893 1.00 0.00 H new ATOM 760 N HIS A 50 -6.430 3.514 12.578 1.00 0.00 N ATOM 761 CA HIS A 50 -7.325 4.462 13.226 1.00 0.00 C ATOM 762 C HIS A 50 -7.533 5.640 12.273 1.00 0.00 C ATOM 763 O HIS A 50 -8.651 6.131 12.148 1.00 0.00 O ATOM 764 CB HIS A 50 -6.774 4.951 14.581 1.00 0.00 C ATOM 765 CG HIS A 50 -7.241 4.223 15.828 1.00 0.00 C ATOM 766 ND1 HIS A 50 -6.843 4.535 17.110 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.190 3.236 15.932 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.527 3.747 17.958 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.362 2.940 17.288 1.00 0.00 N ATOM 0 H HIS A 50 -6.110 3.862 11.674 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.272 3.968 13.441 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.686 4.892 14.544 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.032 6.004 14.689 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.713 2.770 15.110 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.419 3.762 19.032 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.996 2.248 17.688 1.00 0.00 H new ATOM 777 N LEU A 51 -6.469 6.100 11.601 1.00 0.00 N ATOM 778 CA LEU A 51 -6.583 7.250 10.709 1.00 0.00 C ATOM 779 C LEU A 51 -7.217 6.849 9.378 1.00 0.00 C ATOM 780 O LEU A 51 -8.187 7.465 8.947 1.00 0.00 O ATOM 781 CB LEU A 51 -5.217 7.899 10.506 1.00 0.00 C ATOM 782 CG LEU A 51 -4.696 8.557 11.803 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.178 8.755 11.776 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.343 9.932 12.021 1.00 0.00 C ATOM 0 H LEU A 51 -5.534 5.697 11.660 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.240 7.986 11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.504 7.147 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.285 8.650 9.719 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.960 7.878 12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.855 9.220 12.707 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.687 7.788 11.664 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.910 9.397 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.959 10.373 12.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.106 10.583 11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.424 9.817 12.098 1.00 0.00 H new ATOM 796 N ILE A 52 -6.648 5.835 8.719 1.00 0.00 N ATOM 797 CA ILE A 52 -7.061 5.359 7.412 1.00 0.00 C ATOM 798 C ILE A 52 -7.379 3.859 7.508 1.00 0.00 C ATOM 799 O ILE A 52 -7.272 3.284 8.591 1.00 0.00 O ATOM 800 CB ILE A 52 -5.949 5.742 6.412 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.548 6.262 5.116 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.934 4.637 6.107 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.836 7.763 5.174 1.00 0.00 C ATOM 0 H ILE A 52 -5.861 5.311 9.101 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.980 5.820 7.049 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.385 6.526 6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.863 6.057 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.472 5.724 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.196 5.007 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.432 4.340 7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.450 3.777 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.263 8.088 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.542 7.967 5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.908 8.305 5.359 1.00 0.00 H new ATOM 815 N SER A 53 -7.798 3.221 6.409 1.00 0.00 N ATOM 816 CA SER A 53 -8.275 1.843 6.409 1.00 0.00 C ATOM 817 C SER A 53 -7.906 1.135 5.103 1.00 0.00 C ATOM 818 O SER A 53 -7.667 1.793 4.088 1.00 0.00 O ATOM 819 CB SER A 53 -9.796 1.858 6.599 1.00 0.00 C ATOM 820 OG SER A 53 -10.397 2.576 5.536 1.00 0.00 O ATOM 0 H SER A 53 -7.814 3.656 5.487 1.00 0.00 H new ATOM 0 HA SER A 53 -7.802 1.294 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.180 0.838 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.050 2.320 7.553 1.00 0.00 H new ATOM 0 HG SER A 53 -11.370 2.585 5.656 1.00 0.00 H new ATOM 826 N VAL A 54 -7.901 -0.208 5.139 1.00 0.00 N ATOM 827 CA VAL A 54 -7.718 -1.095 3.989 1.00 0.00 C ATOM 828 C VAL A 54 -8.446 -0.559 2.758 1.00 0.00 C ATOM 829 O VAL A 54 -7.872 -0.524 1.674 1.00 0.00 O ATOM 830 CB VAL A 54 -8.189 -2.522 4.336 1.00 0.00 C ATOM 831 CG1 VAL A 54 -8.462 -3.385 3.093 1.00 0.00 C ATOM 832 CG2 VAL A 54 -7.133 -3.248 5.180 1.00 0.00 C ATOM 0 H VAL A 54 -8.030 -0.723 6.010 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.655 -1.132 3.749 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.121 -2.397 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.790 -4.377 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.240 -2.918 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.549 -3.473 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.483 -4.253 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.200 -3.310 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.965 -2.697 6.105 1.00 0.00 H new ATOM 842 N GLU A 55 -9.714 -0.175 2.919 1.00 0.00 N ATOM 843 CA GLU A 55 -10.515 0.274 1.798 1.00 0.00 C ATOM 844 C GLU A 55 -9.900 1.508 1.145 1.00 0.00 C ATOM 845 O GLU A 55 -9.718 1.488 -0.060 1.00 0.00 O ATOM 846 CB GLU A 55 -11.971 0.473 2.206 1.00 0.00 C ATOM 847 CG GLU A 55 -12.839 0.931 1.032 1.00 0.00 C ATOM 848 CD GLU A 55 -14.055 0.050 0.786 1.00 0.00 C ATOM 849 OE1 GLU A 55 -14.854 -0.092 1.733 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.173 -0.427 -0.362 1.00 0.00 O ATOM 0 H GLU A 55 -10.200 -0.169 3.816 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.517 -0.507 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.366 -0.461 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.025 1.211 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.173 1.952 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.229 0.953 0.129 1.00 0.00 H new ATOM 857 N GLU A 56 -9.549 2.561 1.887 1.00 0.00 N ATOM 858 CA GLU A 56 -8.893 3.726 1.322 1.00 0.00 C ATOM 859 C GLU A 56 -7.655 3.264 0.572 1.00 0.00 C ATOM 860 O GLU A 56 -7.477 3.606 -0.591 1.00 0.00 O ATOM 861 CB GLU A 56 -8.524 4.742 2.419 1.00 0.00 C ATOM 862 CG GLU A 56 -9.470 5.948 2.416 1.00 0.00 C ATOM 863 CD GLU A 56 -9.342 6.757 1.128 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.240 7.304 0.901 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.333 6.788 0.369 1.00 0.00 O ATOM 0 H GLU A 56 -9.714 2.623 2.892 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.573 4.231 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.559 4.254 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.499 5.083 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.498 5.605 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.250 6.587 3.271 1.00 0.00 H new ATOM 872 N MET A 57 -6.814 2.455 1.224 1.00 0.00 N ATOM 873 CA MET A 57 -5.610 1.955 0.605 1.00 0.00 C ATOM 874 C MET A 57 -5.917 1.311 -0.758 1.00 0.00 C ATOM 875 O MET A 57 -5.374 1.725 -1.780 1.00 0.00 O ATOM 876 CB MET A 57 -4.870 1.032 1.563 1.00 0.00 C ATOM 877 CG MET A 57 -4.887 1.486 3.031 1.00 0.00 C ATOM 878 SD MET A 57 -3.312 1.521 3.889 1.00 0.00 S ATOM 879 CE MET A 57 -2.704 3.077 3.220 1.00 0.00 C ATOM 0 H MET A 57 -6.957 2.139 2.183 1.00 0.00 H new ATOM 0 HA MET A 57 -4.938 2.787 0.394 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.309 0.036 1.499 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.834 0.945 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.317 2.487 3.071 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.559 0.828 3.582 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.646 3.187 3.459 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.834 3.083 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.263 3.904 3.658 1.00 0.00 H new ATOM 889 N LYS A 58 -6.817 0.324 -0.793 1.00 0.00 N ATOM 890 CA LYS A 58 -7.209 -0.304 -2.045 1.00 0.00 C ATOM 891 C LYS A 58 -7.854 0.689 -2.988 1.00 0.00 C ATOM 892 O LYS A 58 -7.333 0.871 -4.073 1.00 0.00 O ATOM 893 CB LYS A 58 -8.069 -1.551 -1.829 1.00 0.00 C ATOM 894 CG LYS A 58 -8.925 -1.951 -3.042 1.00 0.00 C ATOM 895 CD LYS A 58 -9.762 -3.210 -2.806 1.00 0.00 C ATOM 896 CE LYS A 58 -8.881 -4.445 -2.576 1.00 0.00 C ATOM 897 NZ LYS A 58 -9.654 -5.685 -2.757 1.00 0.00 N ATOM 0 H LYS A 58 -7.283 -0.052 0.032 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.295 -0.651 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.418 -2.385 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.726 -1.381 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.589 -1.125 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.273 -2.113 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.409 -3.059 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.411 -3.381 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.041 -4.431 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.463 -4.416 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.036 -6.506 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.441 -5.706 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.032 -5.720 -3.725 1.00 0.00 H new ATOM 911 N LYS A 59 -8.988 1.291 -2.633 1.00 0.00 N ATOM 912 CA LYS A 59 -9.715 2.221 -3.466 1.00 0.00 C ATOM 913 C LYS A 59 -8.734 3.172 -4.143 1.00 0.00 C ATOM 914 O LYS A 59 -8.749 3.291 -5.362 1.00 0.00 O ATOM 915 CB LYS A 59 -10.754 2.962 -2.612 1.00 0.00 C ATOM 916 CG LYS A 59 -11.972 3.384 -3.436 1.00 0.00 C ATOM 917 CD LYS A 59 -13.121 2.366 -3.314 1.00 0.00 C ATOM 918 CE LYS A 59 -13.869 2.443 -1.970 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.789 3.593 -1.878 1.00 0.00 N ATOM 0 H LYS A 59 -9.432 1.134 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.252 1.692 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.075 2.320 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.295 3.844 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.316 4.363 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.686 3.486 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.830 2.531 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.720 1.360 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.434 1.522 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.142 2.503 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.260 3.587 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.252 4.477 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.504 3.527 -2.630 1.00 0.00 H new ATOM 933 N GLN A 60 -7.834 3.781 -3.368 1.00 0.00 N ATOM 934 CA GLN A 60 -6.814 4.662 -3.929 1.00 0.00 C ATOM 935 C GLN A 60 -5.909 3.925 -4.929 1.00 0.00 C ATOM 936 O GLN A 60 -5.669 4.422 -6.027 1.00 0.00 O ATOM 937 CB GLN A 60 -5.986 5.255 -2.793 1.00 0.00 C ATOM 938 CG GLN A 60 -6.836 6.144 -1.870 1.00 0.00 C ATOM 939 CD GLN A 60 -6.904 7.610 -2.285 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.477 7.995 -3.371 1.00 0.00 O ATOM 941 NE2 GLN A 60 -7.436 8.449 -1.405 1.00 0.00 N ATOM 0 H GLN A 60 -7.793 3.679 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.312 5.461 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.539 4.450 -2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.166 5.841 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.849 5.743 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.433 6.085 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.782 8.099 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.499 9.444 -1.622 1.00 0.00 H new ATOM 950 N ILE A 61 -5.371 2.760 -4.551 1.00 0.00 N ATOM 951 CA ILE A 61 -4.468 1.996 -5.406 1.00 0.00 C ATOM 952 C ILE A 61 -5.212 1.389 -6.599 1.00 0.00 C ATOM 953 O ILE A 61 -4.919 1.755 -7.734 1.00 0.00 O ATOM 954 CB ILE A 61 -3.666 0.978 -4.581 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.773 1.793 -3.625 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.814 0.083 -5.497 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.853 0.935 -2.765 1.00 0.00 C ATOM 0 H ILE A 61 -5.551 2.325 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.732 2.673 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.330 0.316 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.168 2.486 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.407 2.395 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.255 -0.630 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.464 -0.457 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.118 0.701 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.256 1.578 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.452 0.260 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.193 0.353 -3.408 1.00 0.00 H new ATOM 969 N GLU A 62 -6.168 0.478 -6.378 1.00 0.00 N ATOM 970 CA GLU A 62 -7.008 -0.064 -7.426 1.00 0.00 C ATOM 971 C GLU A 62 -7.556 1.023 -8.363 1.00 0.00 C ATOM 972 O GLU A 62 -7.598 0.791 -9.569 1.00 0.00 O ATOM 973 CB GLU A 62 -8.120 -0.902 -6.772 1.00 0.00 C ATOM 974 CG GLU A 62 -8.012 -2.391 -7.120 1.00 0.00 C ATOM 975 CD GLU A 62 -9.025 -3.236 -6.350 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.214 -2.855 -6.357 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.592 -4.224 -5.717 1.00 0.00 O ATOM 0 H GLU A 62 -6.373 0.100 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.410 -0.707 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.074 -0.780 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.091 -0.526 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.168 -2.525 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.004 -2.742 -6.898 1.00 0.00 H new ATOM 984 N ALA A 63 -7.927 2.213 -7.860 1.00 0.00 N ATOM 985 CA ALA A 63 -8.391 3.298 -8.730 1.00 0.00 C ATOM 986 C ALA A 63 -7.400 3.637 -9.846 1.00 0.00 C ATOM 987 O ALA A 63 -7.823 4.033 -10.931 1.00 0.00 O ATOM 988 CB ALA A 63 -8.691 4.564 -7.928 1.00 0.00 C ATOM 0 H ALA A 63 -7.914 2.443 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.306 2.929 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.033 5.349 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.468 4.353 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.787 4.893 -7.416 1.00 0.00 H new ATOM 994 N MET A 64 -6.092 3.502 -9.601 1.00 0.00 N ATOM 995 CA MET A 64 -5.089 3.679 -10.635 1.00 0.00 C ATOM 996 C MET A 64 -5.351 2.729 -11.810 1.00 0.00 C ATOM 997 O MET A 64 -5.180 3.114 -12.965 1.00 0.00 O ATOM 998 CB MET A 64 -3.697 3.424 -10.057 1.00 0.00 C ATOM 999 CG MET A 64 -3.307 4.364 -8.912 1.00 0.00 C ATOM 1000 SD MET A 64 -3.287 6.133 -9.296 1.00 0.00 S ATOM 1001 CE MET A 64 -2.484 6.757 -7.803 1.00 0.00 C ATOM 0 H MET A 64 -5.710 3.269 -8.685 1.00 0.00 H new ATOM 0 HA MET A 64 -5.144 4.704 -11.001 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.648 2.395 -9.700 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.962 3.519 -10.856 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.999 4.201 -8.086 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.316 4.080 -8.559 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.388 7.841 -7.867 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.084 6.497 -6.931 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.494 6.310 -7.708 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.752 1.490 -11.505 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.123 0.475 -12.483 1.00 0.00 C ATOM 1013 C GLY A 65 -5.565 -0.891 -12.090 1.00 0.00 C ATOM 1014 O GLY A 65 -6.021 -1.920 -12.585 1.00 0.00 O ATOM 0 H GLY A 65 -5.828 1.162 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.209 0.420 -12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.746 0.757 -13.466 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.559 -0.903 -11.216 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.805 -2.091 -10.860 1.00 0.00 C ATOM 1020 C PHE A 66 -4.589 -2.902 -9.819 1.00 0.00 C ATOM 1021 O PHE A 66 -4.758 -2.405 -8.707 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.464 -1.624 -10.283 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.704 -0.661 -11.176 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.293 -1.062 -12.461 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.494 0.665 -10.757 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.733 -0.123 -13.344 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.920 1.600 -11.634 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.568 1.212 -12.937 1.00 0.00 C ATOM 0 H PHE A 66 -4.243 -0.065 -10.728 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.638 -2.729 -11.728 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.643 -1.145 -9.320 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.839 -2.497 -10.094 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.408 -2.091 -12.768 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.775 0.965 -9.758 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.430 -0.427 -14.335 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.750 2.615 -11.307 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.170 1.941 -13.627 1.00 0.00 H new ATOM 1038 N PRO A 67 -5.069 -4.119 -10.125 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.768 -4.936 -9.140 1.00 0.00 C ATOM 1040 C PRO A 67 -4.799 -5.266 -8.009 1.00 0.00 C ATOM 1041 O PRO A 67 -3.629 -5.490 -8.301 1.00 0.00 O ATOM 1042 CB PRO A 67 -6.184 -6.203 -9.890 1.00 0.00 C ATOM 1043 CG PRO A 67 -5.136 -6.332 -10.995 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.805 -4.879 -11.338 1.00 0.00 C ATOM 0 HA PRO A 67 -6.634 -4.438 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.184 -7.074 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.190 -6.113 -10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.255 -6.875 -10.652 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.526 -6.870 -11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.764 -4.776 -11.646 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.419 -4.522 -12.165 1.00 0.00 H new ATOM 1052 N ALA A 68 -5.246 -5.283 -6.745 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.352 -5.534 -5.615 1.00 0.00 C ATOM 1054 C ALA A 68 -4.893 -6.586 -4.650 1.00 0.00 C ATOM 1055 O ALA A 68 -6.050 -6.523 -4.232 1.00 0.00 O ATOM 1056 CB ALA A 68 -4.044 -4.248 -4.859 1.00 0.00 C ATOM 0 H ALA A 68 -6.219 -5.126 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.431 -5.928 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.377 -4.467 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.563 -3.537 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.971 -3.818 -4.479 1.00 0.00 H new ATOM 1062 N PHE A 69 -4.030 -7.521 -4.238 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.395 -8.617 -3.358 1.00 0.00 C ATOM 1064 C PHE A 69 -3.817 -8.348 -1.977 1.00 0.00 C ATOM 1065 O PHE A 69 -2.863 -9.010 -1.571 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.913 -9.942 -3.943 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.798 -10.491 -5.042 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.637 -10.054 -6.371 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.805 -11.425 -4.727 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.462 -10.573 -7.384 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.626 -11.944 -5.741 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.455 -11.520 -7.071 1.00 0.00 C ATOM 0 H PHE A 69 -3.048 -7.531 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.479 -8.690 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.905 -9.808 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.848 -10.678 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.881 -9.321 -6.612 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.946 -11.742 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.334 -10.244 -8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.389 -12.669 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.085 -11.921 -7.851 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.395 -7.373 -1.275 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.124 -7.102 0.133 1.00 0.00 C ATOM 1084 C VAL A 70 -4.503 -8.321 0.978 1.00 0.00 C ATOM 1085 O VAL A 70 -5.687 -8.597 1.153 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.809 -5.801 0.582 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.262 -5.711 0.134 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.647 -5.561 2.088 1.00 0.00 C ATOM 0 H VAL A 70 -5.080 -6.736 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.057 -6.937 0.280 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.290 -4.989 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.692 -4.771 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.311 -5.753 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.825 -6.544 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.145 -4.632 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.093 -6.389 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.587 -5.491 2.333 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.523 -9.071 1.497 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.835 -10.190 2.375 1.00 0.00 C ATOM 1100 C LYS A 71 -2.730 -10.472 3.392 1.00 0.00 C ATOM 1101 O LYS A 71 -2.260 -11.601 3.531 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.245 -11.406 1.552 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.148 -11.793 0.576 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.576 -13.062 -0.170 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.415 -13.684 -0.953 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.818 -14.955 -1.596 1.00 0.00 N ATOM 0 H LYS A 71 -2.529 -8.923 1.325 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.694 -9.916 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.460 -12.244 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.163 -11.188 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.968 -10.983 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.213 -11.965 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.963 -13.789 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.389 -12.823 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.070 -12.983 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.576 -13.864 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.011 -15.351 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.124 -15.631 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.603 -14.777 -2.255 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.370 -9.447 4.157 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.447 -9.524 5.270 1.00 0.00 C ATOM 1122 C LYS A 72 -1.811 -8.381 6.208 1.00 0.00 C ATOM 1123 O LYS A 72 -2.449 -7.419 5.781 1.00 0.00 O ATOM 1124 CB LYS A 72 0.004 -9.370 4.785 1.00 0.00 C ATOM 1125 CG LYS A 72 0.759 -10.693 4.591 1.00 0.00 C ATOM 1126 CD LYS A 72 0.748 -11.226 3.149 1.00 0.00 C ATOM 1127 CE LYS A 72 0.833 -12.756 3.142 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.124 -13.223 3.689 1.00 0.00 N ATOM 0 H LYS A 72 -2.731 -8.505 4.008 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.519 -10.490 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.001 -8.827 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.550 -8.758 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.793 -10.557 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.322 -11.446 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.162 -10.904 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.587 -10.807 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.015 -13.171 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.712 -13.125 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.188 -14.257 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.904 -12.778 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.190 -12.963 4.694 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.395 -8.504 7.465 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.578 -7.507 8.506 1.00 0.00 C ATOM 1144 C ILE A 73 -0.393 -7.683 9.460 1.00 0.00 C ATOM 1145 O ILE A 73 -0.545 -7.998 10.636 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.984 -7.670 9.134 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.318 -6.599 10.189 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.241 -9.075 9.707 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.639 -5.241 9.556 1.00 0.00 C ATOM 0 H ILE A 73 -0.903 -9.334 7.795 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.569 -6.476 8.151 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.661 -7.525 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.169 -6.931 10.784 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.475 -6.489 10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.244 -9.117 10.131 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.152 -9.814 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.509 -9.290 10.486 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.868 -4.519 10.340 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.779 -4.894 8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.499 -5.342 8.894 1.00 0.00 H new ATOM 1161 N GLU A 74 0.818 -7.533 8.915 1.00 0.00 N ATOM 1162 CA GLU A 74 2.032 -7.667 9.707 1.00 0.00 C ATOM 1163 C GLU A 74 2.233 -6.366 10.504 1.00 0.00 C ATOM 1164 O GLU A 74 1.539 -5.374 10.276 1.00 0.00 O ATOM 1165 CB GLU A 74 3.209 -7.994 8.768 1.00 0.00 C ATOM 1166 CG GLU A 74 3.184 -9.404 8.160 1.00 0.00 C ATOM 1167 CD GLU A 74 4.180 -9.488 7.007 1.00 0.00 C ATOM 1168 OE1 GLU A 74 5.272 -8.890 7.125 1.00 0.00 O ATOM 1169 OE2 GLU A 74 3.854 -10.058 5.939 1.00 0.00 O ATOM 0 H GLU A 74 0.978 -7.319 7.931 1.00 0.00 H new ATOM 0 HA GLU A 74 1.964 -8.485 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.220 -7.266 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.140 -7.870 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.433 -10.143 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.181 -9.639 7.804 1.00 0.00 H new ATOM 1176 N GLY A 75 3.206 -6.352 11.416 1.00 0.00 N ATOM 1177 CA GLY A 75 3.597 -5.169 12.171 1.00 0.00 C ATOM 1178 C GLY A 75 5.084 -4.902 11.964 1.00 0.00 C ATOM 1179 O GLY A 75 5.805 -5.761 11.454 1.00 0.00 O ATOM 0 H GLY A 75 3.752 -7.180 11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.013 -4.308 11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.387 -5.315 13.231 1.00 0.00 H new ATOM 1183 N ARG A 76 5.538 -3.716 12.359 1.00 0.00 N ATOM 1184 CA ARG A 76 6.932 -3.325 12.414 1.00 0.00 C ATOM 1185 C ARG A 76 6.991 -2.244 13.494 1.00 0.00 C ATOM 1186 O ARG A 76 8.106 -1.812 13.850 1.00 0.00 O ATOM 1187 CB ARG A 76 7.381 -2.804 11.038 1.00 0.00 C ATOM 1188 CG ARG A 76 8.907 -2.765 10.873 1.00 0.00 C ATOM 1189 CD ARG A 76 9.487 -4.163 10.618 1.00 0.00 C ATOM 1190 NE ARG A 76 10.953 -4.112 10.512 1.00 0.00 N ATOM 1191 CZ ARG A 76 11.729 -5.106 10.049 1.00 0.00 C ATOM 1192 NH1 ARG A 76 11.174 -6.258 9.658 1.00 0.00 N ATOM 1193 NH2 ARG A 76 13.055 -4.942 9.978 1.00 0.00 N ATOM 1194 OXT ARG A 76 5.888 -1.865 13.957 1.00 0.00 O ATOM 0 H ARG A 76 4.910 -2.971 12.662 1.00 0.00 H new ATOM 0 HA ARG A 76 7.603 -4.149 12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.954 -3.437 10.260 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.980 -1.801 10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.167 -2.107 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.359 -2.342 11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.200 -4.833 11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.066 -4.574 9.700 1.00 0.00 H new ATOM 0 HE ARG A 76 11.417 -3.255 10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.163 -6.381 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.762 -7.014 9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.477 -4.062 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.644 -5.697 9.626 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.705 0.964 -14.290 1.00 0.00 CU