USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 601 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 10 GLN : amide:sc= -2.07 K(o=-2.5,f=0.66) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.347 (180deg=-0.448) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 9 MET CE :methyl -143:sc= -0.144 (180deg=-2.09!) USER MOD Single : A 16 ASN : amide:sc= -0.744 K(o=-0.74,f=-2.6) USER MOD Single : A 19 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.4) USER MOD Single : A 21 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.07) USER MOD Single : A 28 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.013) USER MOD Single : A 35 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.00072) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0744) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.068 -5.890 -11.215 1.00 0.00 N ATOM 2 CA MET A 1 9.872 -6.748 -10.351 1.00 0.00 C ATOM 3 C MET A 1 10.731 -5.915 -9.405 1.00 0.00 C ATOM 4 O MET A 1 11.890 -6.244 -9.154 1.00 0.00 O ATOM 5 CB MET A 1 10.761 -7.665 -11.193 1.00 0.00 C ATOM 6 CG MET A 1 10.021 -8.355 -12.328 1.00 0.00 C ATOM 7 SD MET A 1 10.849 -9.856 -12.886 1.00 0.00 S ATOM 8 CE MET A 1 9.659 -10.478 -14.071 1.00 0.00 C ATOM 0 H1 MET A 1 8.418 -6.475 -11.778 1.00 0.00 H new ATOM 0 H2 MET A 1 8.519 -5.227 -10.632 1.00 0.00 H new ATOM 0 H3 MET A 1 9.693 -5.356 -11.852 1.00 0.00 H new ATOM 0 HA MET A 1 9.194 -7.359 -9.754 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.582 -7.080 -11.608 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.204 -8.422 -10.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.011 -8.602 -12.001 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.925 -7.665 -13.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.029 -11.407 -14.505 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.710 -10.665 -13.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.513 -9.741 -14.861 1.00 0.00 H new ATOM 18 N ALA A 2 10.156 -4.836 -8.885 1.00 0.00 N ATOM 19 CA ALA A 2 10.869 -3.958 -7.965 1.00 0.00 C ATOM 20 C ALA A 2 10.057 -3.715 -6.698 1.00 0.00 C ATOM 21 O ALA A 2 8.969 -4.265 -6.530 1.00 0.00 O ATOM 22 CB ALA A 2 11.198 -2.638 -8.645 1.00 0.00 C ATOM 0 H ALA A 2 9.198 -4.549 -9.085 1.00 0.00 H new ATOM 0 HA ALA A 2 11.799 -4.449 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.730 -1.992 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.825 -2.824 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.275 -2.151 -8.959 1.00 0.00 H new ATOM 28 N LYS A 3 10.594 -2.888 -5.807 1.00 0.00 N ATOM 29 CA LYS A 3 9.920 -2.571 -4.553 1.00 0.00 C ATOM 30 C LYS A 3 10.443 -1.262 -3.970 1.00 0.00 C ATOM 31 O LYS A 3 11.422 -0.700 -4.462 1.00 0.00 O ATOM 32 CB LYS A 3 10.114 -3.705 -3.545 1.00 0.00 C ATOM 33 CG LYS A 3 8.979 -3.829 -2.543 1.00 0.00 C ATOM 34 CD LYS A 3 8.819 -5.260 -2.056 1.00 0.00 C ATOM 35 CE LYS A 3 7.374 -5.567 -1.694 1.00 0.00 C ATOM 36 NZ LYS A 3 6.548 -5.849 -2.901 1.00 0.00 N ATOM 0 H LYS A 3 11.494 -2.425 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 3 8.856 -2.456 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.215 -4.646 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.048 -3.545 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.169 -3.174 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.049 -3.494 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.155 -5.949 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.456 -5.423 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.342 -6.426 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.948 -4.723 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.570 -6.053 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.557 -5.020 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.939 -6.670 -3.405 1.00 0.00 H new ATOM 50 N ASP A 4 9.787 -0.784 -2.919 1.00 0.00 N ATOM 51 CA ASP A 4 10.188 0.457 -2.267 1.00 0.00 C ATOM 52 C ASP A 4 10.149 0.311 -0.749 1.00 0.00 C ATOM 53 O ASP A 4 9.079 0.328 -0.141 1.00 0.00 O ATOM 54 CB ASP A 4 9.278 1.606 -2.705 1.00 0.00 C ATOM 55 CG ASP A 4 9.725 2.234 -4.009 1.00 0.00 C ATOM 56 OD1 ASP A 4 10.823 1.884 -4.491 1.00 0.00 O ATOM 57 OD2 ASP A 4 8.978 3.076 -4.549 1.00 0.00 O ATOM 0 H ASP A 4 8.975 -1.237 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 4 11.212 0.681 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.258 1.237 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.259 2.368 -1.926 1.00 0.00 H new ATOM 62 N ASP A 5 11.323 0.166 -0.144 1.00 0.00 N ATOM 63 CA ASP A 5 11.423 0.017 1.304 1.00 0.00 C ATOM 64 C ASP A 5 12.221 1.165 1.914 1.00 0.00 C ATOM 65 O ASP A 5 13.300 0.958 2.469 1.00 0.00 O ATOM 66 CB ASP A 5 12.079 -1.320 1.655 1.00 0.00 C ATOM 67 CG ASP A 5 11.342 -2.501 1.056 1.00 0.00 C ATOM 68 OD1 ASP A 5 10.171 -2.721 1.430 1.00 0.00 O ATOM 69 OD2 ASP A 5 11.936 -3.207 0.214 1.00 0.00 O ATOM 0 H ASP A 5 12.218 0.148 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 5 10.415 0.039 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.109 -1.320 1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.116 -1.430 2.739 1.00 0.00 H new ATOM 74 N VAL A 6 11.682 2.375 1.808 1.00 0.00 N ATOM 75 CA VAL A 6 12.343 3.557 2.349 1.00 0.00 C ATOM 76 C VAL A 6 11.381 4.387 3.191 1.00 0.00 C ATOM 77 O VAL A 6 10.176 4.404 2.939 1.00 0.00 O ATOM 78 CB VAL A 6 12.922 4.440 1.228 1.00 0.00 C ATOM 79 CG1 VAL A 6 14.150 3.786 0.613 1.00 0.00 C ATOM 80 CG2 VAL A 6 11.866 4.714 0.168 1.00 0.00 C ATOM 0 H VAL A 6 10.789 2.563 1.352 1.00 0.00 H new ATOM 0 HA VAL A 6 13.159 3.203 2.979 1.00 0.00 H new ATOM 0 HB VAL A 6 13.226 5.393 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.545 4.425 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.911 3.646 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.875 2.818 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.292 5.339 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.529 3.771 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.019 5.228 0.622 1.00 0.00 H new ATOM 90 N ILE A 7 11.922 5.077 4.190 1.00 0.00 N ATOM 91 CA ILE A 7 11.111 5.912 5.068 1.00 0.00 C ATOM 92 C ILE A 7 11.748 7.283 5.265 1.00 0.00 C ATOM 93 O ILE A 7 12.952 7.390 5.496 1.00 0.00 O ATOM 94 CB ILE A 7 10.907 5.250 6.443 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.257 4.979 7.109 1.00 0.00 C ATOM 96 CG2 ILE A 7 10.113 3.961 6.298 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.579 5.936 8.235 1.00 0.00 C ATOM 0 H ILE A 7 12.918 5.074 4.411 1.00 0.00 H new ATOM 0 HA ILE A 7 10.142 6.031 4.584 1.00 0.00 H new ATOM 0 HB ILE A 7 10.341 5.932 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.264 3.960 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.043 5.039 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.977 3.505 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.138 4.181 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.653 3.272 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.550 5.684 8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.605 6.955 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.814 5.859 9.008 1.00 0.00 H new ATOM 109 N GLN A 8 10.932 8.328 5.173 1.00 0.00 N ATOM 110 CA GLN A 8 11.416 9.692 5.342 1.00 0.00 C ATOM 111 C GLN A 8 11.341 10.119 6.805 1.00 0.00 C ATOM 112 O GLN A 8 10.281 10.055 7.426 1.00 0.00 O ATOM 113 CB GLN A 8 10.604 10.656 4.475 1.00 0.00 C ATOM 114 CG GLN A 8 10.408 10.172 3.048 1.00 0.00 C ATOM 115 CD GLN A 8 9.527 11.098 2.233 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.718 12.315 2.234 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.556 10.527 1.531 1.00 0.00 N ATOM 0 H GLN A 8 9.933 8.256 4.982 1.00 0.00 H new ATOM 0 HA GLN A 8 12.459 9.722 5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.628 10.811 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.105 11.624 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.380 10.081 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.965 9.176 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.434 9.515 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.932 11.100 0.963 1.00 0.00 H new ATOM 126 N MET A 9 12.473 10.554 7.348 1.00 0.00 N ATOM 127 CA MET A 9 12.535 10.992 8.738 1.00 0.00 C ATOM 128 C MET A 9 12.732 12.502 8.823 1.00 0.00 C ATOM 129 O MET A 9 13.238 13.125 7.890 1.00 0.00 O ATOM 130 CB MET A 9 13.670 10.276 9.471 1.00 0.00 C ATOM 131 CG MET A 9 13.489 8.768 9.547 1.00 0.00 C ATOM 132 SD MET A 9 13.675 8.130 11.223 1.00 0.00 S ATOM 133 CE MET A 9 12.095 7.321 11.455 1.00 0.00 C ATOM 0 H MET A 9 13.360 10.613 6.847 1.00 0.00 H new ATOM 0 HA MET A 9 11.588 10.739 9.215 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.612 10.496 8.968 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.748 10.676 10.482 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.501 8.505 9.170 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.218 8.285 8.896 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.764 7.458 12.485 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.361 7.756 10.777 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.197 6.256 11.245 1.00 0.00 H new ATOM 143 N GLN A 10 12.328 13.084 9.948 1.00 0.00 N ATOM 144 CA GLN A 10 12.460 14.522 10.154 1.00 0.00 C ATOM 145 C GLN A 10 13.600 14.832 11.118 1.00 0.00 C ATOM 146 O GLN A 10 13.510 14.550 12.312 1.00 0.00 O ATOM 147 CB GLN A 10 11.151 15.104 10.689 1.00 0.00 C ATOM 148 CG GLN A 10 9.950 14.819 9.802 1.00 0.00 C ATOM 149 CD GLN A 10 9.637 15.964 8.858 1.00 0.00 C ATOM 150 OE1 GLN A 10 8.808 16.823 9.160 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.300 15.982 7.708 1.00 0.00 N ATOM 0 H GLN A 10 11.907 12.582 10.730 1.00 0.00 H new ATOM 0 HA GLN A 10 12.687 14.982 9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.962 14.698 11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.262 16.183 10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.138 13.916 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.080 14.621 10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.978 15.250 7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.131 16.728 7.034 1.00 0.00 H new ATOM 160 N GLY A 11 14.673 15.414 10.591 1.00 0.00 N ATOM 161 CA GLY A 11 15.816 15.751 11.420 1.00 0.00 C ATOM 162 C GLY A 11 16.267 17.186 11.228 1.00 0.00 C ATOM 163 O GLY A 11 15.675 17.930 10.447 1.00 0.00 O ATOM 0 H GLY A 11 14.771 15.658 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.561 15.590 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.642 15.079 11.186 1.00 0.00 H new ATOM 167 N GLU A 12 17.317 17.575 11.945 1.00 0.00 N ATOM 168 CA GLU A 12 17.845 18.931 11.851 1.00 0.00 C ATOM 169 C GLU A 12 19.361 18.914 11.678 1.00 0.00 C ATOM 170 O GLU A 12 20.060 18.117 12.304 1.00 0.00 O ATOM 171 CB GLU A 12 17.472 19.735 13.098 1.00 0.00 C ATOM 172 CG GLU A 12 18.152 21.091 13.174 1.00 0.00 C ATOM 173 CD GLU A 12 17.802 21.849 14.440 1.00 0.00 C ATOM 174 OE1 GLU A 12 16.755 22.530 14.453 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.575 21.761 15.417 1.00 0.00 O ATOM 0 H GLU A 12 17.818 16.971 12.597 1.00 0.00 H new ATOM 0 HA GLU A 12 17.402 19.406 10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.392 19.878 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.733 19.157 13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.232 20.955 13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.865 21.686 12.307 1.00 0.00 H new ATOM 182 N VAL A 13 19.863 19.799 10.823 1.00 0.00 N ATOM 183 CA VAL A 13 21.296 19.888 10.567 1.00 0.00 C ATOM 184 C VAL A 13 22.043 20.397 11.795 1.00 0.00 C ATOM 185 O VAL A 13 21.639 21.381 12.416 1.00 0.00 O ATOM 186 CB VAL A 13 21.597 20.815 9.375 1.00 0.00 C ATOM 187 CG1 VAL A 13 23.098 20.971 9.186 1.00 0.00 C ATOM 188 CG2 VAL A 13 20.945 20.282 8.108 1.00 0.00 C ATOM 0 H VAL A 13 19.298 20.465 10.296 1.00 0.00 H new ATOM 0 HA VAL A 13 21.638 18.881 10.329 1.00 0.00 H new ATOM 0 HB VAL A 13 21.177 21.798 9.587 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.292 21.629 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.535 21.401 10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.544 19.995 8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.168 20.949 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.333 19.287 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.866 20.227 8.250 1.00 0.00 H new ATOM 198 N ILE A 14 23.134 19.721 12.139 1.00 0.00 N ATOM 199 CA ILE A 14 23.939 20.107 13.292 1.00 0.00 C ATOM 200 C ILE A 14 25.360 20.471 12.874 1.00 0.00 C ATOM 201 O ILE A 14 26.009 21.302 13.507 1.00 0.00 O ATOM 202 CB ILE A 14 23.997 18.980 14.340 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.700 19.469 15.608 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.708 17.762 13.769 1.00 0.00 C ATOM 205 CD1 ILE A 14 23.938 20.549 16.343 1.00 0.00 C ATOM 0 H ILE A 14 23.481 18.904 11.636 1.00 0.00 H new ATOM 0 HA ILE A 14 23.459 20.980 13.734 1.00 0.00 H new ATOM 0 HB ILE A 14 22.978 18.693 14.600 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.853 18.623 16.278 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.687 19.848 15.343 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.741 16.974 14.521 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.169 17.404 12.892 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.724 18.034 13.484 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.495 20.847 17.231 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.808 21.412 15.689 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.961 20.168 16.639 1.00 0.00 H new ATOM 217 N GLU A 15 25.834 19.843 11.802 1.00 0.00 N ATOM 218 CA GLU A 15 27.178 20.102 11.299 1.00 0.00 C ATOM 219 C GLU A 15 27.172 20.247 9.780 1.00 0.00 C ATOM 220 O GLU A 15 26.290 19.724 9.100 1.00 0.00 O ATOM 221 CB GLU A 15 28.127 18.975 11.711 1.00 0.00 C ATOM 222 CG GLU A 15 29.558 19.434 11.932 1.00 0.00 C ATOM 223 CD GLU A 15 30.566 18.318 11.741 1.00 0.00 C ATOM 224 OE1 GLU A 15 30.318 17.432 10.896 1.00 0.00 O ATOM 225 OE2 GLU A 15 31.603 18.330 12.437 1.00 0.00 O ATOM 0 H GLU A 15 25.308 19.153 11.266 1.00 0.00 H new ATOM 0 HA GLU A 15 27.527 21.038 11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.756 18.516 12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.117 18.203 10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.786 20.246 11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.655 19.837 12.940 1.00 0.00 H new ATOM 232 N ASN A 16 28.162 20.961 9.255 1.00 0.00 N ATOM 233 CA ASN A 16 28.271 21.176 7.817 1.00 0.00 C ATOM 234 C ASN A 16 29.710 20.992 7.346 1.00 0.00 C ATOM 235 O ASN A 16 30.618 21.690 7.799 1.00 0.00 O ATOM 236 CB ASN A 16 27.779 22.578 7.451 1.00 0.00 C ATOM 237 CG ASN A 16 26.394 22.866 7.997 1.00 0.00 C ATOM 238 OD1 ASN A 16 26.186 22.894 9.210 1.00 0.00 O ATOM 239 ND2 ASN A 16 25.437 23.080 7.101 1.00 0.00 N ATOM 0 H ASN A 16 28.901 21.401 9.804 1.00 0.00 H new ATOM 0 HA ASN A 16 27.646 20.436 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 16 28.480 23.318 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 16 27.768 22.685 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 16 24.485 23.277 7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 16 25.654 23.047 6.105 1.00 0.00 H new ATOM 246 N LEU A 17 29.912 20.047 6.434 1.00 0.00 N ATOM 247 CA LEU A 17 31.241 19.770 5.900 1.00 0.00 C ATOM 248 C LEU A 17 31.212 19.696 4.377 1.00 0.00 C ATOM 249 O LEU A 17 30.168 19.480 3.762 1.00 0.00 O ATOM 250 CB LEU A 17 31.780 18.459 6.476 1.00 0.00 C ATOM 251 CG LEU A 17 32.433 18.550 7.855 1.00 0.00 C ATOM 252 CD1 LEU A 17 32.748 17.161 8.389 1.00 0.00 C ATOM 253 CD2 LEU A 17 33.696 19.397 7.792 1.00 0.00 C ATOM 0 H LEU A 17 29.172 19.460 6.049 1.00 0.00 H new ATOM 0 HA LEU A 17 31.901 20.587 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.958 17.745 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 17 32.510 18.051 5.777 1.00 0.00 H new ATOM 0 HG LEU A 17 31.731 19.029 8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 17 33.212 17.246 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 31.826 16.585 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 17 33.432 16.655 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 17 34.148 19.451 8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 17 34.402 18.946 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.444 20.402 7.453 1.00 0.00 H new ATOM 265 N PRO A 18 32.385 19.878 3.753 1.00 0.00 N ATOM 266 CA PRO A 18 32.521 19.833 2.294 1.00 0.00 C ATOM 267 C PRO A 18 32.331 18.427 1.737 1.00 0.00 C ATOM 268 O PRO A 18 31.894 17.522 2.446 1.00 0.00 O ATOM 269 CB PRO A 18 33.955 20.313 2.057 1.00 0.00 C ATOM 270 CG PRO A 18 34.677 19.987 3.318 1.00 0.00 C ATOM 271 CD PRO A 18 33.670 20.140 4.424 1.00 0.00 C ATOM 0 HA PRO A 18 31.766 20.440 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 18 34.405 19.809 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 18 33.985 21.382 1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 18 35.074 18.972 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.524 20.656 3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.852 19.434 5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.700 21.139 4.860 1.00 0.00 H new ATOM 279 N ASN A 19 32.662 18.251 0.462 1.00 0.00 N ATOM 280 CA ASN A 19 32.527 16.954 -0.191 1.00 0.00 C ATOM 281 C ASN A 19 31.061 16.539 -0.280 1.00 0.00 C ATOM 282 O ASN A 19 30.740 15.351 -0.274 1.00 0.00 O ATOM 283 CB ASN A 19 33.323 15.892 0.570 1.00 0.00 C ATOM 284 CG ASN A 19 34.630 16.432 1.120 1.00 0.00 C ATOM 285 OD1 ASN A 19 35.378 17.111 0.417 1.00 0.00 O ATOM 286 ND2 ASN A 19 34.909 16.130 2.382 1.00 0.00 N ATOM 0 H ASN A 19 33.026 18.990 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 19 32.924 17.042 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 19 32.718 15.507 1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 19 33.530 15.053 -0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.774 16.464 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 19 34.259 15.564 2.927 1.00 0.00 H new ATOM 293 N ALA A 20 30.177 17.528 -0.365 1.00 0.00 N ATOM 294 CA ALA A 20 28.746 17.266 -0.458 1.00 0.00 C ATOM 295 C ALA A 20 28.287 16.320 0.646 1.00 0.00 C ATOM 296 O ALA A 20 27.771 15.235 0.375 1.00 0.00 O ATOM 297 CB ALA A 20 28.403 16.691 -1.824 1.00 0.00 C ATOM 0 H ALA A 20 30.426 18.517 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 20 28.220 18.212 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.331 16.500 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.686 17.403 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.946 15.758 -1.973 1.00 0.00 H new ATOM 303 N THR A 21 28.479 16.737 1.894 1.00 0.00 N ATOM 304 CA THR A 21 28.087 15.927 3.040 1.00 0.00 C ATOM 305 C THR A 21 27.593 16.799 4.188 1.00 0.00 C ATOM 306 O THR A 21 28.095 17.903 4.403 1.00 0.00 O ATOM 307 CB THR A 21 29.256 15.056 3.538 1.00 0.00 C ATOM 308 OG1 THR A 21 30.458 15.404 2.842 1.00 0.00 O ATOM 309 CG2 THR A 21 28.956 13.579 3.335 1.00 0.00 C ATOM 0 H THR A 21 28.904 17.632 2.136 1.00 0.00 H new ATOM 0 HA THR A 21 27.277 15.279 2.706 1.00 0.00 H new ATOM 0 HB THR A 21 29.388 15.240 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.685 16.339 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.796 12.984 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.057 13.311 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.799 13.382 2.274 1.00 0.00 H new ATOM 317 N PHE A 22 26.606 16.298 4.923 1.00 0.00 N ATOM 318 CA PHE A 22 26.043 17.033 6.050 1.00 0.00 C ATOM 319 C PHE A 22 25.454 16.077 7.083 1.00 0.00 C ATOM 320 O PHE A 22 24.940 15.013 6.738 1.00 0.00 O ATOM 321 CB PHE A 22 24.966 18.005 5.565 1.00 0.00 C ATOM 322 CG PHE A 22 25.486 19.057 4.627 1.00 0.00 C ATOM 323 CD1 PHE A 22 25.993 20.251 5.116 1.00 0.00 C ATOM 324 CD2 PHE A 22 25.469 18.852 3.257 1.00 0.00 C ATOM 325 CE1 PHE A 22 26.471 21.220 4.255 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.946 19.818 2.391 1.00 0.00 C ATOM 327 CZ PHE A 22 26.449 21.003 2.891 1.00 0.00 C ATOM 0 H PHE A 22 26.179 15.386 4.759 1.00 0.00 H new ATOM 0 HA PHE A 22 26.847 17.598 6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 22 24.178 17.442 5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.512 18.492 6.428 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.015 20.426 6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 22 25.078 17.926 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 22 26.862 22.147 4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.925 19.646 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.824 21.759 2.217 1.00 0.00 H new ATOM 337 N ARG A 23 25.533 16.465 8.352 1.00 0.00 N ATOM 338 CA ARG A 23 25.009 15.642 9.436 1.00 0.00 C ATOM 339 C ARG A 23 23.727 16.243 10.004 1.00 0.00 C ATOM 340 O ARG A 23 23.662 17.439 10.287 1.00 0.00 O ATOM 341 CB ARG A 23 26.053 15.498 10.545 1.00 0.00 C ATOM 342 CG ARG A 23 27.225 14.607 10.168 1.00 0.00 C ATOM 343 CD ARG A 23 27.068 13.208 10.741 1.00 0.00 C ATOM 344 NE ARG A 23 28.340 12.493 10.797 1.00 0.00 N ATOM 345 CZ ARG A 23 28.437 11.171 10.876 1.00 0.00 C ATOM 346 NH1 ARG A 23 27.343 10.423 10.908 1.00 0.00 N ATOM 347 NH2 ARG A 23 29.631 10.594 10.922 1.00 0.00 N ATOM 0 H ARG A 23 25.954 17.343 8.655 1.00 0.00 H new ATOM 0 HA ARG A 23 24.779 14.656 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.429 16.487 10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.571 15.093 11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.305 14.550 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.152 15.049 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.644 13.272 11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.362 12.644 10.132 1.00 0.00 H new ATOM 0 HE ARG A 23 29.201 13.039 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.423 10.863 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.421 9.408 10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 23 30.475 11.166 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 23 29.705 9.578 10.983 1.00 0.00 H new ATOM 361 N VAL A 24 22.708 15.405 10.166 1.00 0.00 N ATOM 362 CA VAL A 24 21.427 15.853 10.700 1.00 0.00 C ATOM 363 C VAL A 24 20.903 14.886 11.756 1.00 0.00 C ATOM 364 O VAL A 24 21.015 13.668 11.608 1.00 0.00 O ATOM 365 CB VAL A 24 20.375 15.999 9.586 1.00 0.00 C ATOM 366 CG1 VAL A 24 20.744 17.138 8.648 1.00 0.00 C ATOM 367 CG2 VAL A 24 20.226 14.693 8.820 1.00 0.00 C ATOM 0 H VAL A 24 22.745 14.412 9.935 1.00 0.00 H new ATOM 0 HA VAL A 24 21.598 16.827 11.157 1.00 0.00 H new ATOM 0 HB VAL A 24 19.415 16.236 10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 24 19.989 17.226 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 24 20.795 18.070 9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 24 21.714 16.935 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 24 19.478 14.814 8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.182 14.423 8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.911 13.904 9.503 1.00 0.00 H new ATOM 377 N LYS A 25 20.331 15.435 12.821 1.00 0.00 N ATOM 378 CA LYS A 25 19.787 14.622 13.903 1.00 0.00 C ATOM 379 C LYS A 25 18.275 14.475 13.765 1.00 0.00 C ATOM 380 O LYS A 25 17.546 15.467 13.717 1.00 0.00 O ATOM 381 CB LYS A 25 20.128 15.244 15.258 1.00 0.00 C ATOM 382 CG LYS A 25 19.571 16.645 15.442 1.00 0.00 C ATOM 383 CD LYS A 25 20.096 17.292 16.712 1.00 0.00 C ATOM 384 CE LYS A 25 19.480 18.665 16.935 1.00 0.00 C ATOM 385 NZ LYS A 25 20.415 19.586 17.637 1.00 0.00 N ATOM 0 H LYS A 25 20.232 16.441 12.959 1.00 0.00 H new ATOM 0 HA LYS A 25 20.238 13.632 13.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.743 14.602 16.050 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.212 15.275 15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.838 17.259 14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.482 16.603 15.477 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.876 16.651 17.566 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.181 17.384 16.653 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.198 19.097 15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.565 18.562 17.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.898 20.116 18.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.176 19.035 18.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.826 20.252 16.952 1.00 0.00 H new ATOM 399 N LEU A 26 17.809 13.232 13.703 1.00 0.00 N ATOM 400 CA LEU A 26 16.382 12.956 13.573 1.00 0.00 C ATOM 401 C LEU A 26 15.626 13.396 14.823 1.00 0.00 C ATOM 402 O LEU A 26 16.021 14.347 15.495 1.00 0.00 O ATOM 403 CB LEU A 26 16.153 11.464 13.323 1.00 0.00 C ATOM 404 CG LEU A 26 17.131 10.786 12.363 1.00 0.00 C ATOM 405 CD1 LEU A 26 16.748 9.330 12.151 1.00 0.00 C ATOM 406 CD2 LEU A 26 17.174 11.527 11.034 1.00 0.00 C ATOM 0 H LEU A 26 18.398 12.400 13.741 1.00 0.00 H new ATOM 0 HA LEU A 26 16.003 13.524 12.723 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.196 10.945 14.280 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.143 11.332 12.934 1.00 0.00 H new ATOM 0 HG LEU A 26 18.126 10.818 12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.455 8.864 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.769 8.805 13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.744 9.275 11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.875 11.031 10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.181 11.527 10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.497 12.555 11.201 1.00 0.00 H new ATOM 418 N GLU A 27 14.538 12.695 15.127 1.00 0.00 N ATOM 419 CA GLU A 27 13.728 13.013 16.297 1.00 0.00 C ATOM 420 C GLU A 27 14.301 12.357 17.550 1.00 0.00 C ATOM 421 O GLU A 27 14.403 12.987 18.602 1.00 0.00 O ATOM 422 CB GLU A 27 12.283 12.557 16.084 1.00 0.00 C ATOM 423 CG GLU A 27 11.480 13.480 15.182 1.00 0.00 C ATOM 424 CD GLU A 27 11.385 14.891 15.729 1.00 0.00 C ATOM 425 OE1 GLU A 27 11.637 15.078 16.937 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.057 15.808 14.947 1.00 0.00 O ATOM 0 H GLU A 27 14.198 11.904 14.580 1.00 0.00 H new ATOM 0 HA GLU A 27 13.743 14.094 16.435 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.287 11.555 15.654 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.787 12.487 17.052 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.940 13.507 14.194 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.476 13.075 15.055 1.00 0.00 H new ATOM 433 N ASN A 28 14.672 11.087 17.429 1.00 0.00 N ATOM 434 CA ASN A 28 15.233 10.344 18.552 1.00 0.00 C ATOM 435 C ASN A 28 16.589 10.913 18.957 1.00 0.00 C ATOM 436 O ASN A 28 17.088 10.639 20.048 1.00 0.00 O ATOM 437 CB ASN A 28 15.375 8.864 18.191 1.00 0.00 C ATOM 438 CG ASN A 28 14.140 8.060 18.548 1.00 0.00 C ATOM 439 OD1 ASN A 28 14.206 7.118 19.338 1.00 0.00 O ATOM 440 ND2 ASN A 28 13.005 8.429 17.966 1.00 0.00 N ATOM 0 H ASN A 28 14.594 10.551 16.565 1.00 0.00 H new ATOM 0 HA ASN A 28 14.551 10.441 19.397 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.569 8.771 17.123 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.239 8.448 18.710 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.141 7.925 18.168 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.997 9.216 17.317 1.00 0.00 H new ATOM 447 N GLY A 29 17.180 11.708 18.070 1.00 0.00 N ATOM 448 CA GLY A 29 18.473 12.303 18.354 1.00 0.00 C ATOM 449 C GLY A 29 19.605 11.607 17.625 1.00 0.00 C ATOM 450 O GLY A 29 20.770 11.975 17.777 1.00 0.00 O ATOM 0 H GLY A 29 16.787 11.950 17.161 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.455 13.355 18.070 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.659 12.265 19.427 1.00 0.00 H new ATOM 454 N HIS A 30 19.263 10.596 16.833 1.00 0.00 N ATOM 455 CA HIS A 30 20.260 9.844 16.078 1.00 0.00 C ATOM 456 C HIS A 30 20.849 10.697 14.958 1.00 0.00 C ATOM 457 O HIS A 30 20.128 11.411 14.262 1.00 0.00 O ATOM 458 CB HIS A 30 19.639 8.574 15.496 1.00 0.00 C ATOM 459 CG HIS A 30 19.024 7.681 16.528 1.00 0.00 C ATOM 460 ND1 HIS A 30 18.141 6.668 16.217 1.00 0.00 N ATOM 461 CD2 HIS A 30 19.169 7.651 17.874 1.00 0.00 C ATOM 462 CE1 HIS A 30 17.769 6.055 17.327 1.00 0.00 C ATOM 463 NE2 HIS A 30 18.379 6.632 18.346 1.00 0.00 N ATOM 0 H HIS A 30 18.303 10.278 16.697 1.00 0.00 H new ATOM 0 HA HIS A 30 21.063 9.566 16.760 1.00 0.00 H new ATOM 0 HB2 HIS A 30 18.877 8.853 14.768 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.406 8.018 14.957 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.790 8.307 18.466 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.083 5.223 17.390 1.00 0.00 H new ATOM 0 HE2 HIS A 30 18.279 6.364 19.325 1.00 0.00 H new ATOM 471 N VAL A 31 22.166 10.617 14.791 1.00 0.00 N ATOM 472 CA VAL A 31 22.852 11.380 13.755 1.00 0.00 C ATOM 473 C VAL A 31 22.994 10.566 12.475 1.00 0.00 C ATOM 474 O VAL A 31 23.138 9.344 12.516 1.00 0.00 O ATOM 475 CB VAL A 31 24.249 11.829 14.223 1.00 0.00 C ATOM 476 CG1 VAL A 31 24.152 12.614 15.522 1.00 0.00 C ATOM 477 CG2 VAL A 31 25.169 10.628 14.383 1.00 0.00 C ATOM 0 H VAL A 31 22.778 10.032 15.360 1.00 0.00 H new ATOM 0 HA VAL A 31 22.243 12.261 13.555 1.00 0.00 H new ATOM 0 HB VAL A 31 24.674 12.484 13.463 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.149 12.922 15.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 23.531 13.496 15.368 1.00 0.00 H new ATOM 0 HG13 VAL A 31 23.706 11.987 16.294 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.152 10.964 14.714 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.751 9.945 15.123 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.265 10.113 13.427 1.00 0.00 H new ATOM 487 N VAL A 32 22.952 11.251 11.336 1.00 0.00 N ATOM 488 CA VAL A 32 23.078 10.591 10.042 1.00 0.00 C ATOM 489 C VAL A 32 23.816 11.476 9.044 1.00 0.00 C ATOM 490 O VAL A 32 23.610 12.690 9.003 1.00 0.00 O ATOM 491 CB VAL A 32 21.699 10.223 9.464 1.00 0.00 C ATOM 492 CG1 VAL A 32 20.900 9.406 10.467 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.939 11.477 9.059 1.00 0.00 C ATOM 0 H VAL A 32 22.832 12.263 11.284 1.00 0.00 H new ATOM 0 HA VAL A 32 23.650 9.678 10.206 1.00 0.00 H new ATOM 0 HB VAL A 32 21.849 9.613 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.929 9.155 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 32 21.440 8.489 10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.757 9.987 11.378 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.967 11.198 8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.798 12.115 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.507 12.018 8.302 1.00 0.00 H new ATOM 503 N LEU A 33 24.675 10.861 8.239 1.00 0.00 N ATOM 504 CA LEU A 33 25.444 11.593 7.238 1.00 0.00 C ATOM 505 C LEU A 33 24.883 11.357 5.840 1.00 0.00 C ATOM 506 O LEU A 33 24.571 10.226 5.468 1.00 0.00 O ATOM 507 CB LEU A 33 26.914 11.171 7.288 1.00 0.00 C ATOM 508 CG LEU A 33 27.936 12.307 7.350 1.00 0.00 C ATOM 509 CD1 LEU A 33 29.351 11.758 7.244 1.00 0.00 C ATOM 510 CD2 LEU A 33 27.672 13.323 6.248 1.00 0.00 C ATOM 0 H LEU A 33 24.857 9.858 8.260 1.00 0.00 H new ATOM 0 HA LEU A 33 25.369 12.657 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 27.058 10.531 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 27.127 10.565 6.408 1.00 0.00 H new ATOM 0 HG LEU A 33 27.834 12.810 8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 33 30.065 12.581 7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 33 29.537 11.070 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 29.466 11.230 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 33 28.409 14.124 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 33 27.746 12.834 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 33 26.672 13.740 6.369 1.00 0.00 H new ATOM 522 N GLY A 34 24.758 12.432 5.068 1.00 0.00 N ATOM 523 CA GLY A 34 24.236 12.321 3.719 1.00 0.00 C ATOM 524 C GLY A 34 24.545 13.542 2.875 1.00 0.00 C ATOM 525 O GLY A 34 25.224 14.464 3.329 1.00 0.00 O ATOM 0 H GLY A 34 25.009 13.379 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 34 24.658 11.437 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.156 12.176 3.761 1.00 0.00 H new ATOM 529 N HIS A 35 24.047 13.549 1.642 1.00 0.00 N ATOM 530 CA HIS A 35 24.275 14.665 0.732 1.00 0.00 C ATOM 531 C HIS A 35 22.952 15.229 0.223 1.00 0.00 C ATOM 532 O HIS A 35 21.981 14.494 0.042 1.00 0.00 O ATOM 533 CB HIS A 35 25.141 14.222 -0.447 1.00 0.00 C ATOM 534 CG HIS A 35 24.430 13.316 -1.405 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.504 11.941 -1.337 1.00 0.00 N ATOM 536 CD2 HIS A 35 23.626 13.596 -2.457 1.00 0.00 C ATOM 537 CE1 HIS A 35 23.778 11.414 -2.307 1.00 0.00 C ATOM 538 NE2 HIS A 35 23.235 12.398 -3.001 1.00 0.00 N ATOM 0 H HIS A 35 23.483 12.794 1.251 1.00 0.00 H new ATOM 0 HA HIS A 35 24.797 15.448 1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.488 15.105 -0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.026 13.712 -0.066 1.00 0.00 H new ATOM 0 HD2 HIS A 35 23.344 14.579 -2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 35 23.650 10.359 -2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 35 22.624 12.286 -3.810 1.00 0.00 H new ATOM 546 N ILE A 36 22.921 16.538 -0.005 1.00 0.00 N ATOM 547 CA ILE A 36 21.717 17.199 -0.494 1.00 0.00 C ATOM 548 C ILE A 36 21.816 17.486 -1.989 1.00 0.00 C ATOM 549 O ILE A 36 22.890 17.799 -2.502 1.00 0.00 O ATOM 550 CB ILE A 36 21.457 18.520 0.254 1.00 0.00 C ATOM 551 CG1 ILE A 36 20.095 19.095 -0.139 1.00 0.00 C ATOM 552 CG2 ILE A 36 22.566 19.521 -0.037 1.00 0.00 C ATOM 553 CD1 ILE A 36 20.163 20.076 -1.289 1.00 0.00 C ATOM 0 H ILE A 36 23.715 17.161 0.141 1.00 0.00 H new ATOM 0 HA ILE A 36 20.886 16.517 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 36 21.449 18.318 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.428 18.276 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.656 19.592 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.368 20.449 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.522 19.110 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.604 19.721 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.162 20.443 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 36 20.804 20.914 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 36 20.573 19.578 -2.168 1.00 0.00 H new ATOM 565 N SER A 37 20.687 17.378 -2.682 1.00 0.00 N ATOM 566 CA SER A 37 20.645 17.624 -4.119 1.00 0.00 C ATOM 567 C SER A 37 19.265 18.112 -4.547 1.00 0.00 C ATOM 568 O SER A 37 18.254 17.765 -3.937 1.00 0.00 O ATOM 569 CB SER A 37 21.009 16.351 -4.885 1.00 0.00 C ATOM 570 OG SER A 37 20.348 15.222 -4.342 1.00 0.00 O ATOM 0 H SER A 37 19.789 17.122 -2.272 1.00 0.00 H new ATOM 0 HA SER A 37 21.373 18.401 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.738 16.465 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.087 16.197 -4.849 1.00 0.00 H new ATOM 0 HG SER A 37 20.596 14.422 -4.850 1.00 0.00 H new ATOM 576 N GLY A 38 19.231 18.922 -5.601 1.00 0.00 N ATOM 577 CA GLY A 38 17.971 19.446 -6.094 1.00 0.00 C ATOM 578 C GLY A 38 18.155 20.667 -6.974 1.00 0.00 C ATOM 579 O GLY A 38 19.264 20.956 -7.424 1.00 0.00 O ATOM 0 H GLY A 38 20.054 19.225 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.454 18.670 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.333 19.704 -5.249 1.00 0.00 H new ATOM 583 N LYS A 39 17.065 21.385 -7.222 1.00 0.00 N ATOM 584 CA LYS A 39 17.109 22.581 -8.054 1.00 0.00 C ATOM 585 C LYS A 39 17.387 23.821 -7.211 1.00 0.00 C ATOM 586 O LYS A 39 17.859 24.837 -7.721 1.00 0.00 O ATOM 587 CB LYS A 39 15.789 22.751 -8.810 1.00 0.00 C ATOM 588 CG LYS A 39 14.585 22.923 -7.900 1.00 0.00 C ATOM 589 CD LYS A 39 13.485 23.722 -8.577 1.00 0.00 C ATOM 590 CE LYS A 39 12.479 22.813 -9.266 1.00 0.00 C ATOM 591 NZ LYS A 39 11.593 22.123 -8.287 1.00 0.00 N ATOM 0 H LYS A 39 16.139 21.159 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 39 17.920 22.463 -8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.865 23.618 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.631 21.881 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.201 21.944 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.890 23.427 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.973 24.338 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.924 24.401 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.871 23.400 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.009 22.070 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.773 21.721 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.122 21.360 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.265 22.806 -7.574 1.00 0.00 H new ATOM 605 N MET A 40 17.093 23.730 -5.918 1.00 0.00 N ATOM 606 CA MET A 40 17.315 24.844 -5.004 1.00 0.00 C ATOM 607 C MET A 40 18.756 24.860 -4.505 1.00 0.00 C ATOM 608 O MET A 40 19.249 25.886 -4.036 1.00 0.00 O ATOM 609 CB MET A 40 16.353 24.757 -3.817 1.00 0.00 C ATOM 610 CG MET A 40 14.968 25.308 -4.115 1.00 0.00 C ATOM 611 SD MET A 40 14.159 25.981 -2.652 1.00 0.00 S ATOM 612 CE MET A 40 14.878 27.620 -2.590 1.00 0.00 C ATOM 0 H MET A 40 16.701 22.897 -5.480 1.00 0.00 H new ATOM 0 HA MET A 40 17.128 25.770 -5.548 1.00 0.00 H new ATOM 0 HB2 MET A 40 16.262 23.715 -3.509 1.00 0.00 H new ATOM 0 HB3 MET A 40 16.778 25.302 -2.974 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.047 26.087 -4.873 1.00 0.00 H new ATOM 0 HG3 MET A 40 14.349 24.516 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 40 14.475 28.162 -1.735 1.00 0.00 H new ATOM 0 HE2 MET A 40 15.960 27.539 -2.491 1.00 0.00 H new ATOM 0 HE3 MET A 40 14.637 28.158 -3.507 1.00 0.00 H new ATOM 622 N ARG A 41 19.427 23.717 -4.609 1.00 0.00 N ATOM 623 CA ARG A 41 20.811 23.601 -4.167 1.00 0.00 C ATOM 624 C ARG A 41 21.765 24.172 -5.212 1.00 0.00 C ATOM 625 O ARG A 41 22.905 24.519 -4.902 1.00 0.00 O ATOM 626 CB ARG A 41 21.159 22.137 -3.891 1.00 0.00 C ATOM 627 CG ARG A 41 22.453 21.954 -3.114 1.00 0.00 C ATOM 628 CD ARG A 41 23.149 20.656 -3.490 1.00 0.00 C ATOM 629 NE ARG A 41 23.706 20.704 -4.840 1.00 0.00 N ATOM 630 CZ ARG A 41 24.818 21.359 -5.153 1.00 0.00 C ATOM 631 NH1 ARG A 41 25.489 22.017 -4.218 1.00 0.00 N ATOM 632 NH2 ARG A 41 25.261 21.356 -6.404 1.00 0.00 N ATOM 0 H ARG A 41 19.034 22.859 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 41 20.921 24.174 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.343 21.677 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.237 21.606 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.118 22.795 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.240 21.958 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.947 20.453 -2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.440 19.831 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 41 23.214 20.207 -5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.151 22.021 -3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.343 22.519 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.747 20.850 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.115 21.859 -6.644 1.00 0.00 H new ATOM 646 N MET A 42 21.291 24.268 -6.450 1.00 0.00 N ATOM 647 CA MET A 42 22.102 24.798 -7.539 1.00 0.00 C ATOM 648 C MET A 42 22.123 26.323 -7.509 1.00 0.00 C ATOM 649 O MET A 42 22.843 26.959 -8.279 1.00 0.00 O ATOM 650 CB MET A 42 21.566 24.311 -8.887 1.00 0.00 C ATOM 651 CG MET A 42 21.658 22.804 -9.068 1.00 0.00 C ATOM 652 SD MET A 42 20.344 22.150 -10.116 1.00 0.00 S ATOM 653 CE MET A 42 21.053 22.399 -11.742 1.00 0.00 C ATOM 0 H MET A 42 20.350 23.986 -6.724 1.00 0.00 H new ATOM 0 HA MET A 42 23.122 24.435 -7.409 1.00 0.00 H new ATOM 0 HB2 MET A 42 20.525 24.618 -8.987 1.00 0.00 H new ATOM 0 HB3 MET A 42 22.121 24.800 -9.688 1.00 0.00 H new ATOM 0 HG2 MET A 42 22.625 22.553 -9.504 1.00 0.00 H new ATOM 0 HG3 MET A 42 21.613 22.321 -8.092 1.00 0.00 H new ATOM 0 HE1 MET A 42 20.357 22.043 -12.501 1.00 0.00 H new ATOM 0 HE2 MET A 42 21.246 23.461 -11.896 1.00 0.00 H new ATOM 0 HE3 MET A 42 21.989 21.845 -11.820 1.00 0.00 H new ATOM 663 N HIS A 43 21.330 26.904 -6.615 1.00 0.00 N ATOM 664 CA HIS A 43 21.258 28.355 -6.484 1.00 0.00 C ATOM 665 C HIS A 43 22.226 28.852 -5.415 1.00 0.00 C ATOM 666 O HIS A 43 22.101 29.975 -4.924 1.00 0.00 O ATOM 667 CB HIS A 43 19.833 28.787 -6.139 1.00 0.00 C ATOM 668 CG HIS A 43 18.877 28.669 -7.286 1.00 0.00 C ATOM 669 ND1 HIS A 43 17.564 29.084 -7.217 1.00 0.00 N ATOM 670 CD2 HIS A 43 19.050 28.181 -8.537 1.00 0.00 C ATOM 671 CE1 HIS A 43 16.970 28.855 -8.375 1.00 0.00 C ATOM 672 NE2 HIS A 43 17.851 28.308 -9.193 1.00 0.00 N ATOM 0 H HIS A 43 20.728 26.392 -5.970 1.00 0.00 H new ATOM 0 HA HIS A 43 21.542 28.796 -7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.469 28.181 -5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.849 29.821 -5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.962 27.769 -8.943 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.940 29.077 -8.612 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.670 28.026 -10.156 1.00 0.00 H new ATOM 680 N TYR A 44 23.190 28.011 -5.059 1.00 0.00 N ATOM 681 CA TYR A 44 24.177 28.364 -4.045 1.00 0.00 C ATOM 682 C TYR A 44 23.498 28.862 -2.773 1.00 0.00 C ATOM 683 O TYR A 44 23.797 29.950 -2.282 1.00 0.00 O ATOM 684 CB TYR A 44 25.128 29.435 -4.582 1.00 0.00 C ATOM 685 CG TYR A 44 25.632 29.153 -5.979 1.00 0.00 C ATOM 686 CD1 TYR A 44 26.510 28.104 -6.223 1.00 0.00 C ATOM 687 CD2 TYR A 44 25.230 29.934 -7.055 1.00 0.00 C ATOM 688 CE1 TYR A 44 26.974 27.843 -7.498 1.00 0.00 C ATOM 689 CE2 TYR A 44 25.687 29.680 -8.333 1.00 0.00 C ATOM 690 CZ TYR A 44 26.559 28.634 -8.550 1.00 0.00 C ATOM 691 OH TYR A 44 27.018 28.376 -9.821 1.00 0.00 O ATOM 0 H TYR A 44 23.309 27.080 -5.457 1.00 0.00 H new ATOM 0 HA TYR A 44 24.748 27.468 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 44 24.617 30.398 -4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 44 25.980 29.523 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 44 26.835 27.482 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 44 24.548 30.755 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 44 27.657 27.025 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 44 25.363 30.297 -9.158 1.00 0.00 H new ATOM 0 HH TYR A 44 26.630 29.023 -10.447 1.00 0.00 H new ATOM 701 N ILE A 45 22.583 28.056 -2.245 1.00 0.00 N ATOM 702 CA ILE A 45 21.862 28.413 -1.029 1.00 0.00 C ATOM 703 C ILE A 45 22.825 28.675 0.124 1.00 0.00 C ATOM 704 O ILE A 45 24.042 28.591 -0.040 1.00 0.00 O ATOM 705 CB ILE A 45 20.873 27.307 -0.616 1.00 0.00 C ATOM 706 CG1 ILE A 45 21.566 25.943 -0.626 1.00 0.00 C ATOM 707 CG2 ILE A 45 19.667 27.301 -1.544 1.00 0.00 C ATOM 708 CD1 ILE A 45 20.785 24.862 0.089 1.00 0.00 C ATOM 0 H ILE A 45 22.323 27.152 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 45 21.305 29.324 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 45 20.526 27.510 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 45 21.732 25.637 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 45 22.547 26.040 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.977 26.514 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 45 19.163 28.266 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.996 27.119 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.336 23.923 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 45 20.641 25.146 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 45 19.814 24.737 -0.390 1.00 0.00 H new ATOM 720 N ARG A 46 22.271 28.990 1.290 1.00 0.00 N ATOM 721 CA ARG A 46 23.080 29.264 2.471 1.00 0.00 C ATOM 722 C ARG A 46 22.620 28.416 3.654 1.00 0.00 C ATOM 723 O ARG A 46 21.959 28.913 4.566 1.00 0.00 O ATOM 724 CB ARG A 46 23.005 30.748 2.834 1.00 0.00 C ATOM 725 CG ARG A 46 23.794 31.646 1.894 1.00 0.00 C ATOM 726 CD ARG A 46 24.338 32.868 2.617 1.00 0.00 C ATOM 727 NE ARG A 46 25.478 32.537 3.469 1.00 0.00 N ATOM 728 CZ ARG A 46 26.102 33.423 4.237 1.00 0.00 C ATOM 729 NH1 ARG A 46 25.700 34.686 4.260 1.00 0.00 N ATOM 730 NH2 ARG A 46 27.132 33.046 4.984 1.00 0.00 N ATOM 0 H ARG A 46 21.265 29.062 1.442 1.00 0.00 H new ATOM 0 HA ARG A 46 24.113 29.005 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 46 21.961 31.062 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.376 30.884 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.619 31.083 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.155 31.964 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.638 33.618 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.549 33.312 3.224 1.00 0.00 H new ATOM 0 HE ARG A 46 25.813 31.573 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.909 34.980 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.181 35.364 4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.445 32.075 4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 46 27.611 33.727 5.574 1.00 0.00 H new ATOM 744 N ILE A 47 22.975 27.136 3.630 1.00 0.00 N ATOM 745 CA ILE A 47 22.600 26.220 4.700 1.00 0.00 C ATOM 746 C ILE A 47 23.349 26.543 5.989 1.00 0.00 C ATOM 747 O ILE A 47 24.483 27.021 5.957 1.00 0.00 O ATOM 748 CB ILE A 47 22.877 24.756 4.312 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.285 24.450 2.934 1.00 0.00 C ATOM 750 CG2 ILE A 47 22.308 23.813 5.360 1.00 0.00 C ATOM 751 CD1 ILE A 47 22.601 23.057 2.437 1.00 0.00 C ATOM 0 H ILE A 47 23.522 26.710 2.882 1.00 0.00 H new ATOM 0 HA ILE A 47 21.530 26.348 4.863 1.00 0.00 H new ATOM 0 HB ILE A 47 23.956 24.606 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.203 24.575 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.662 25.178 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.512 22.782 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 47 22.772 24.018 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.231 23.962 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.150 22.910 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.681 22.934 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.199 22.322 3.135 1.00 0.00 H new ATOM 763 N LEU A 48 22.707 26.278 7.122 1.00 0.00 N ATOM 764 CA LEU A 48 23.313 26.538 8.423 1.00 0.00 C ATOM 765 C LEU A 48 22.836 25.525 9.458 1.00 0.00 C ATOM 766 O LEU A 48 21.797 24.883 9.302 1.00 0.00 O ATOM 767 CB LEU A 48 22.979 27.956 8.888 1.00 0.00 C ATOM 768 CG LEU A 48 21.599 28.485 8.495 1.00 0.00 C ATOM 769 CD1 LEU A 48 20.505 27.672 9.169 1.00 0.00 C ATOM 770 CD2 LEU A 48 21.470 29.958 8.852 1.00 0.00 C ATOM 0 H LEU A 48 21.767 25.883 7.166 1.00 0.00 H new ATOM 0 HA LEU A 48 24.394 26.441 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.063 27.990 9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.733 28.635 8.489 1.00 0.00 H new ATOM 0 HG LEU A 48 21.486 28.384 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.530 28.062 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.585 26.629 8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.615 27.741 10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.482 30.317 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.604 30.085 9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 48 22.232 30.529 8.321 1.00 0.00 H new ATOM 782 N PRO A 49 23.611 25.378 10.543 1.00 0.00 N ATOM 783 CA PRO A 49 23.285 24.446 11.628 1.00 0.00 C ATOM 784 C PRO A 49 22.072 24.896 12.434 1.00 0.00 C ATOM 785 O PRO A 49 22.078 25.969 13.037 1.00 0.00 O ATOM 786 CB PRO A 49 24.544 24.464 12.499 1.00 0.00 C ATOM 787 CG PRO A 49 25.172 25.788 12.232 1.00 0.00 C ATOM 788 CD PRO A 49 24.863 26.110 10.796 1.00 0.00 C ATOM 0 HA PRO A 49 23.024 23.457 11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.297 24.349 13.554 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.217 23.647 12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.771 26.552 12.898 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.248 25.751 12.401 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.740 27.182 10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.661 25.782 10.130 1.00 0.00 H new ATOM 796 N GLY A 50 21.032 24.069 12.441 1.00 0.00 N ATOM 797 CA GLY A 50 19.826 24.399 13.177 1.00 0.00 C ATOM 798 C GLY A 50 18.599 24.451 12.288 1.00 0.00 C ATOM 799 O GLY A 50 17.534 24.899 12.714 1.00 0.00 O ATOM 0 H GLY A 50 21.003 23.176 11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.670 23.660 13.963 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.956 25.364 13.668 1.00 0.00 H new ATOM 803 N ASP A 51 18.749 23.995 11.050 1.00 0.00 N ATOM 804 CA ASP A 51 17.645 23.992 10.097 1.00 0.00 C ATOM 805 C ASP A 51 16.981 22.620 10.039 1.00 0.00 C ATOM 806 O ASP A 51 17.657 21.593 9.978 1.00 0.00 O ATOM 807 CB ASP A 51 18.141 24.392 8.707 1.00 0.00 C ATOM 808 CG ASP A 51 17.031 24.937 7.830 1.00 0.00 C ATOM 809 OD1 ASP A 51 15.857 24.877 8.253 1.00 0.00 O ATOM 810 OD2 ASP A 51 17.336 25.423 6.721 1.00 0.00 O ATOM 0 H ASP A 51 19.624 23.622 10.682 1.00 0.00 H new ATOM 0 HA ASP A 51 16.906 24.719 10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.924 25.144 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.591 23.526 8.222 1.00 0.00 H new ATOM 815 N LYS A 52 15.652 22.609 10.059 1.00 0.00 N ATOM 816 CA LYS A 52 14.896 21.364 10.008 1.00 0.00 C ATOM 817 C LYS A 52 14.794 20.847 8.577 1.00 0.00 C ATOM 818 O LYS A 52 14.274 21.530 7.695 1.00 0.00 O ATOM 819 CB LYS A 52 13.494 21.571 10.587 1.00 0.00 C ATOM 820 CG LYS A 52 13.495 22.008 12.042 1.00 0.00 C ATOM 821 CD LYS A 52 12.083 22.125 12.591 1.00 0.00 C ATOM 822 CE LYS A 52 11.518 23.521 12.380 1.00 0.00 C ATOM 823 NZ LYS A 52 10.160 23.665 12.975 1.00 0.00 N ATOM 0 H LYS A 52 15.076 23.450 10.110 1.00 0.00 H new ATOM 0 HA LYS A 52 15.425 20.622 10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.971 22.320 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.932 20.642 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.059 21.291 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.003 22.968 12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.440 21.393 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.084 21.889 13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.189 24.256 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.472 23.737 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.809 24.630 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.513 22.981 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.208 23.484 13.998 1.00 0.00 H new ATOM 837 N VAL A 53 15.294 19.635 8.354 1.00 0.00 N ATOM 838 CA VAL A 53 15.257 19.025 7.030 1.00 0.00 C ATOM 839 C VAL A 53 14.923 17.540 7.118 1.00 0.00 C ATOM 840 O VAL A 53 15.183 16.892 8.133 1.00 0.00 O ATOM 841 CB VAL A 53 16.601 19.195 6.297 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.007 20.660 6.258 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.679 18.351 6.959 1.00 0.00 C ATOM 0 H VAL A 53 15.729 19.057 9.073 1.00 0.00 H new ATOM 0 HA VAL A 53 14.477 19.537 6.467 1.00 0.00 H new ATOM 0 HB VAL A 53 16.481 18.849 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.959 20.760 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.244 21.235 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.110 21.036 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.622 18.483 6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.800 18.663 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.389 17.301 6.928 1.00 0.00 H new ATOM 853 N THR A 54 14.345 17.004 6.048 1.00 0.00 N ATOM 854 CA THR A 54 13.974 15.596 6.004 1.00 0.00 C ATOM 855 C THR A 54 15.121 14.742 5.475 1.00 0.00 C ATOM 856 O THR A 54 15.888 15.177 4.616 1.00 0.00 O ATOM 857 CB THR A 54 12.732 15.369 5.122 1.00 0.00 C ATOM 858 OG1 THR A 54 11.742 16.365 5.405 1.00 0.00 O ATOM 859 CG2 THR A 54 12.147 13.985 5.357 1.00 0.00 C ATOM 0 H THR A 54 14.124 17.525 5.199 1.00 0.00 H new ATOM 0 HA THR A 54 13.743 15.298 7.027 1.00 0.00 H new ATOM 0 HB THR A 54 13.036 15.445 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.956 16.215 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.271 13.848 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.893 13.229 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.857 13.885 6.403 1.00 0.00 H new ATOM 867 N VAL A 55 15.233 13.523 5.993 1.00 0.00 N ATOM 868 CA VAL A 55 16.285 12.606 5.571 1.00 0.00 C ATOM 869 C VAL A 55 15.751 11.186 5.425 1.00 0.00 C ATOM 870 O VAL A 55 14.996 10.706 6.270 1.00 0.00 O ATOM 871 CB VAL A 55 17.458 12.601 6.569 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.366 13.799 6.332 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.940 12.589 7.999 1.00 0.00 C ATOM 0 H VAL A 55 14.608 13.148 6.706 1.00 0.00 H new ATOM 0 HA VAL A 55 16.642 12.958 4.603 1.00 0.00 H new ATOM 0 HB VAL A 55 18.043 11.695 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.189 13.779 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.764 13.759 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.796 14.719 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.782 12.586 8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.331 13.476 8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.335 11.697 8.159 1.00 0.00 H new ATOM 883 N GLU A 56 16.150 10.518 4.347 1.00 0.00 N ATOM 884 CA GLU A 56 15.710 9.151 4.090 1.00 0.00 C ATOM 885 C GLU A 56 16.792 8.149 4.482 1.00 0.00 C ATOM 886 O GLU A 56 17.907 8.186 3.961 1.00 0.00 O ATOM 887 CB GLU A 56 15.349 8.977 2.613 1.00 0.00 C ATOM 888 CG GLU A 56 13.871 8.718 2.374 1.00 0.00 C ATOM 889 CD GLU A 56 13.552 8.468 0.913 1.00 0.00 C ATOM 890 OE1 GLU A 56 13.879 9.336 0.077 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.975 7.404 0.605 1.00 0.00 O ATOM 0 H GLU A 56 16.776 10.900 3.638 1.00 0.00 H new ATOM 0 HA GLU A 56 14.825 8.961 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.645 9.873 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.926 8.148 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.557 7.856 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.294 9.573 2.727 1.00 0.00 H new ATOM 898 N LEU A 57 16.455 7.255 5.405 1.00 0.00 N ATOM 899 CA LEU A 57 17.396 6.242 5.869 1.00 0.00 C ATOM 900 C LEU A 57 16.988 4.855 5.382 1.00 0.00 C ATOM 901 O LEU A 57 15.801 4.532 5.317 1.00 0.00 O ATOM 902 CB LEU A 57 17.478 6.255 7.397 1.00 0.00 C ATOM 903 CG LEU A 57 18.506 5.311 8.022 1.00 0.00 C ATOM 904 CD1 LEU A 57 19.713 6.090 8.520 1.00 0.00 C ATOM 905 CD2 LEU A 57 17.878 4.515 9.156 1.00 0.00 C ATOM 0 H LEU A 57 15.537 7.211 5.847 1.00 0.00 H new ATOM 0 HA LEU A 57 18.377 6.477 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.704 7.271 7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.495 6.005 7.796 1.00 0.00 H new ATOM 0 HG LEU A 57 18.842 4.612 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.434 5.401 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 57 20.177 6.615 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 19.395 6.813 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.624 3.848 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.514 5.199 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.046 3.926 8.770 1.00 0.00 H new ATOM 917 N THR A 58 17.979 4.037 5.044 1.00 0.00 N ATOM 918 CA THR A 58 17.723 2.684 4.564 1.00 0.00 C ATOM 919 C THR A 58 18.003 1.653 5.652 1.00 0.00 C ATOM 920 O THR A 58 18.722 1.913 6.617 1.00 0.00 O ATOM 921 CB THR A 58 18.581 2.355 3.328 1.00 0.00 C ATOM 922 OG1 THR A 58 19.691 3.257 3.247 1.00 0.00 O ATOM 923 CG2 THR A 58 17.754 2.446 2.055 1.00 0.00 C ATOM 0 H THR A 58 18.967 4.287 5.094 1.00 0.00 H new ATOM 0 HA THR A 58 16.669 2.640 4.288 1.00 0.00 H new ATOM 0 HB THR A 58 18.949 1.334 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.232 3.040 2.459 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.382 2.209 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.927 1.737 2.107 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.359 3.457 1.949 1.00 0.00 H new ATOM 931 N PRO A 59 17.423 0.454 5.495 1.00 0.00 N ATOM 932 CA PRO A 59 17.596 -0.641 6.454 1.00 0.00 C ATOM 933 C PRO A 59 19.010 -1.213 6.431 1.00 0.00 C ATOM 934 O PRO A 59 19.399 -1.967 7.323 1.00 0.00 O ATOM 935 CB PRO A 59 16.587 -1.690 5.981 1.00 0.00 C ATOM 936 CG PRO A 59 16.406 -1.413 4.529 1.00 0.00 C ATOM 937 CD PRO A 59 16.553 0.075 4.369 1.00 0.00 C ATOM 0 HA PRO A 59 17.439 -0.312 7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.959 -2.701 6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.644 -1.604 6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.149 -1.945 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.426 -1.747 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.001 0.334 3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.589 0.582 4.417 1.00 0.00 H new ATOM 945 N TYR A 60 19.774 -0.849 5.407 1.00 0.00 N ATOM 946 CA TYR A 60 21.144 -1.328 5.267 1.00 0.00 C ATOM 947 C TYR A 60 21.985 -0.932 6.477 1.00 0.00 C ATOM 948 O TYR A 60 22.766 -1.733 6.993 1.00 0.00 O ATOM 949 CB TYR A 60 21.773 -0.770 3.990 1.00 0.00 C ATOM 950 CG TYR A 60 21.056 -1.191 2.727 1.00 0.00 C ATOM 951 CD1 TYR A 60 20.653 -2.508 2.540 1.00 0.00 C ATOM 952 CD2 TYR A 60 20.780 -0.272 1.722 1.00 0.00 C ATOM 953 CE1 TYR A 60 19.998 -2.897 1.387 1.00 0.00 C ATOM 954 CE2 TYR A 60 20.124 -0.653 0.567 1.00 0.00 C ATOM 955 CZ TYR A 60 19.736 -1.966 0.404 1.00 0.00 C ATOM 956 OH TYR A 60 19.082 -2.350 -0.744 1.00 0.00 O ATOM 0 H TYR A 60 19.468 -0.224 4.662 1.00 0.00 H new ATOM 0 HA TYR A 60 21.118 -2.416 5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 60 21.784 0.319 4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.811 -1.096 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 60 20.855 -3.239 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 60 21.083 0.757 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 60 19.693 -3.925 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.916 0.074 -0.204 1.00 0.00 H new ATOM 0 HH TYR A 60 18.975 -1.575 -1.334 1.00 0.00 H new ATOM 966 N ASP A 61 21.819 0.307 6.925 1.00 0.00 N ATOM 967 CA ASP A 61 22.561 0.810 8.075 1.00 0.00 C ATOM 968 C ASP A 61 21.900 2.062 8.643 1.00 0.00 C ATOM 969 O ASP A 61 21.135 2.740 7.955 1.00 0.00 O ATOM 970 CB ASP A 61 24.007 1.116 7.682 1.00 0.00 C ATOM 971 CG ASP A 61 24.918 -0.085 7.846 1.00 0.00 C ATOM 972 OD1 ASP A 61 25.152 -0.497 9.001 1.00 0.00 O ATOM 973 OD2 ASP A 61 25.398 -0.611 6.820 1.00 0.00 O ATOM 0 H ASP A 61 21.177 0.982 6.509 1.00 0.00 H new ATOM 0 HA ASP A 61 22.557 0.038 8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 61 24.036 1.451 6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 61 24.380 1.938 8.293 1.00 0.00 H new ATOM 978 N LEU A 62 22.199 2.364 9.902 1.00 0.00 N ATOM 979 CA LEU A 62 21.633 3.534 10.563 1.00 0.00 C ATOM 980 C LEU A 62 22.671 4.644 10.690 1.00 0.00 C ATOM 981 O LEU A 62 22.493 5.590 11.456 1.00 0.00 O ATOM 982 CB LEU A 62 21.103 3.155 11.947 1.00 0.00 C ATOM 983 CG LEU A 62 20.218 1.910 12.010 1.00 0.00 C ATOM 984 CD1 LEU A 62 20.240 1.309 13.406 1.00 0.00 C ATOM 985 CD2 LEU A 62 18.793 2.247 11.595 1.00 0.00 C ATOM 0 H LEU A 62 22.830 1.815 10.485 1.00 0.00 H new ATOM 0 HA LEU A 62 20.808 3.902 9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.954 3.005 12.611 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.537 3.999 12.341 1.00 0.00 H new ATOM 0 HG LEU A 62 20.614 1.171 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.604 0.424 13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 62 21.261 1.030 13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.870 2.042 14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.177 1.349 11.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.388 3.003 12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.792 2.630 10.575 1.00 0.00 H new ATOM 997 N SER A 63 23.756 4.521 9.931 1.00 0.00 N ATOM 998 CA SER A 63 24.825 5.513 9.960 1.00 0.00 C ATOM 999 C SER A 63 25.012 6.150 8.586 1.00 0.00 C ATOM 1000 O SER A 63 26.121 6.531 8.212 1.00 0.00 O ATOM 1001 CB SER A 63 26.134 4.869 10.419 1.00 0.00 C ATOM 1002 OG SER A 63 26.004 4.319 11.718 1.00 0.00 O ATOM 0 H SER A 63 23.918 3.745 9.289 1.00 0.00 H new ATOM 0 HA SER A 63 24.545 6.293 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.424 4.087 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.930 5.613 10.414 1.00 0.00 H new ATOM 0 HG SER A 63 26.854 3.912 11.987 1.00 0.00 H new ATOM 1008 N ARG A 64 23.919 6.261 7.838 1.00 0.00 N ATOM 1009 CA ARG A 64 23.961 6.850 6.505 1.00 0.00 C ATOM 1010 C ARG A 64 22.552 7.071 5.964 1.00 0.00 C ATOM 1011 O ARG A 64 21.645 6.282 6.225 1.00 0.00 O ATOM 1012 CB ARG A 64 24.750 5.950 5.552 1.00 0.00 C ATOM 1013 CG ARG A 64 24.392 4.477 5.668 1.00 0.00 C ATOM 1014 CD ARG A 64 25.306 3.612 4.815 1.00 0.00 C ATOM 1015 NE ARG A 64 26.717 3.892 5.068 1.00 0.00 N ATOM 1016 CZ ARG A 64 27.704 3.449 4.297 1.00 0.00 C ATOM 1017 NH1 ARG A 64 27.435 2.709 3.230 1.00 0.00 N ATOM 1018 NH2 ARG A 64 28.963 3.745 4.593 1.00 0.00 N ATOM 0 H ARG A 64 22.993 5.951 8.133 1.00 0.00 H new ATOM 0 HA ARG A 64 24.459 7.817 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.575 6.278 4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.815 6.073 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.463 4.165 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.357 4.328 5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.103 2.560 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.086 3.782 3.761 1.00 0.00 H new ATOM 0 HE ARG A 64 26.958 4.459 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.468 2.479 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.195 2.370 2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 64 29.174 4.313 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.720 3.404 4.000 1.00 0.00 H new ATOM 1032 N ALA A 65 22.377 8.151 5.208 1.00 0.00 N ATOM 1033 CA ALA A 65 21.080 8.476 4.629 1.00 0.00 C ATOM 1034 C ALA A 65 21.205 9.586 3.591 1.00 0.00 C ATOM 1035 O ALA A 65 22.268 10.186 3.435 1.00 0.00 O ATOM 1036 CB ALA A 65 20.100 8.878 5.721 1.00 0.00 C ATOM 0 H ALA A 65 23.118 8.815 4.983 1.00 0.00 H new ATOM 0 HA ALA A 65 20.701 7.586 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.135 9.118 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.979 8.053 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.482 9.751 6.249 1.00 0.00 H new ATOM 1042 N ARG A 66 20.112 9.855 2.885 1.00 0.00 N ATOM 1043 CA ARG A 66 20.100 10.893 1.861 1.00 0.00 C ATOM 1044 C ARG A 66 19.437 12.164 2.383 1.00 0.00 C ATOM 1045 O ARG A 66 18.367 12.114 2.990 1.00 0.00 O ATOM 1046 CB ARG A 66 19.367 10.399 0.612 1.00 0.00 C ATOM 1047 CG ARG A 66 17.861 10.290 0.793 1.00 0.00 C ATOM 1048 CD ARG A 66 17.182 9.805 -0.478 1.00 0.00 C ATOM 1049 NE ARG A 66 17.472 10.671 -1.618 1.00 0.00 N ATOM 1050 CZ ARG A 66 17.096 10.398 -2.862 1.00 0.00 C ATOM 1051 NH1 ARG A 66 16.418 9.289 -3.126 1.00 0.00 N ATOM 1052 NH2 ARG A 66 17.397 11.235 -3.846 1.00 0.00 N ATOM 0 H ARG A 66 19.223 9.369 3.003 1.00 0.00 H new ATOM 0 HA ARG A 66 21.133 11.123 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.577 11.078 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.762 9.423 0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.640 9.603 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.456 11.262 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.512 8.790 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.104 9.763 -0.320 1.00 0.00 H new ATOM 0 HE ARG A 66 17.992 11.532 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.184 8.643 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.131 9.082 -4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.918 12.089 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.108 11.024 -4.801 1.00 0.00 H new ATOM 1066 N ILE A 67 20.080 13.302 2.143 1.00 0.00 N ATOM 1067 CA ILE A 67 19.553 14.586 2.589 1.00 0.00 C ATOM 1068 C ILE A 67 18.400 15.044 1.703 1.00 0.00 C ATOM 1069 O ILE A 67 18.455 14.920 0.479 1.00 0.00 O ATOM 1070 CB ILE A 67 20.645 15.672 2.593 1.00 0.00 C ATOM 1071 CG1 ILE A 67 21.850 15.211 3.415 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.091 16.978 3.141 1.00 0.00 C ATOM 1073 CD1 ILE A 67 21.556 15.076 4.893 1.00 0.00 C ATOM 0 H ILE A 67 20.967 13.361 1.642 1.00 0.00 H new ATOM 0 HA ILE A 67 19.191 14.442 3.607 1.00 0.00 H new ATOM 0 HB ILE A 67 20.972 15.841 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.195 14.251 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.666 15.921 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 67 20.875 17.736 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.261 17.311 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.739 16.824 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 67 22.455 14.746 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 67 21.240 16.040 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.762 14.344 5.041 1.00 0.00 H new ATOM 1085 N VAL A 68 17.355 15.575 2.329 1.00 0.00 N ATOM 1086 CA VAL A 68 16.188 16.055 1.597 1.00 0.00 C ATOM 1087 C VAL A 68 15.878 17.506 1.948 1.00 0.00 C ATOM 1088 O VAL A 68 16.349 18.026 2.960 1.00 0.00 O ATOM 1089 CB VAL A 68 14.947 15.191 1.891 1.00 0.00 C ATOM 1090 CG1 VAL A 68 13.901 15.372 0.802 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.338 13.728 2.028 1.00 0.00 C ATOM 0 H VAL A 68 17.292 15.684 3.341 1.00 0.00 H new ATOM 0 HA VAL A 68 16.428 15.984 0.536 1.00 0.00 H new ATOM 0 HB VAL A 68 14.513 15.518 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.032 14.754 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.600 16.419 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.320 15.073 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.449 13.132 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.796 13.385 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.049 13.617 2.847 1.00 0.00 H new ATOM 1101 N PHE A 69 15.083 18.156 1.105 1.00 0.00 N ATOM 1102 CA PHE A 69 14.709 19.548 1.325 1.00 0.00 C ATOM 1103 C PHE A 69 14.195 19.755 2.747 1.00 0.00 C ATOM 1104 O PHE A 69 13.886 18.795 3.452 1.00 0.00 O ATOM 1105 CB PHE A 69 13.641 19.978 0.317 1.00 0.00 C ATOM 1106 CG PHE A 69 14.205 20.408 -1.007 1.00 0.00 C ATOM 1107 CD1 PHE A 69 15.035 19.564 -1.728 1.00 0.00 C ATOM 1108 CD2 PHE A 69 13.904 21.655 -1.530 1.00 0.00 C ATOM 1109 CE1 PHE A 69 15.556 19.958 -2.946 1.00 0.00 C ATOM 1110 CE2 PHE A 69 14.422 22.054 -2.749 1.00 0.00 C ATOM 1111 CZ PHE A 69 15.248 21.204 -3.458 1.00 0.00 C ATOM 0 H PHE A 69 14.685 17.741 0.263 1.00 0.00 H new ATOM 0 HA PHE A 69 15.598 20.163 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.950 19.151 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.063 20.799 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 69 15.277 18.588 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.258 22.323 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.204 19.292 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.181 23.029 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.652 21.513 -4.411 1.00 0.00 H new ATOM 1121 N ARG A 70 14.108 21.015 3.161 1.00 0.00 N ATOM 1122 CA ARG A 70 13.634 21.349 4.499 1.00 0.00 C ATOM 1123 C ARG A 70 12.324 20.628 4.807 1.00 0.00 C ATOM 1124 O ARG A 70 11.571 20.275 3.900 1.00 0.00 O ATOM 1125 CB ARG A 70 13.440 22.860 4.632 1.00 0.00 C ATOM 1126 CG ARG A 70 14.668 23.668 4.245 1.00 0.00 C ATOM 1127 CD ARG A 70 14.450 25.156 4.473 1.00 0.00 C ATOM 1128 NE ARG A 70 13.269 25.650 3.771 1.00 0.00 N ATOM 1129 CZ ARG A 70 12.927 26.933 3.720 1.00 0.00 C ATOM 1130 NH1 ARG A 70 13.674 27.846 4.325 1.00 0.00 N ATOM 1131 NH2 ARG A 70 11.837 27.304 3.061 1.00 0.00 N ATOM 0 H ARG A 70 14.360 21.821 2.589 1.00 0.00 H new ATOM 0 HA ARG A 70 14.387 21.022 5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.602 23.167 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.171 23.094 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 70 15.525 23.331 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.906 23.490 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.343 25.347 5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.328 25.707 4.137 1.00 0.00 H new ATOM 0 HE ARG A 70 12.674 24.973 3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.514 27.564 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.409 28.830 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.261 26.604 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.575 28.289 3.022 1.00 0.00 H new ATOM 1145 N ALA A 71 12.061 20.413 6.091 1.00 0.00 N ATOM 1146 CA ALA A 71 10.843 19.736 6.519 1.00 0.00 C ATOM 1147 C ALA A 71 9.700 20.728 6.704 1.00 0.00 C ATOM 1148 O ALA A 71 9.086 20.793 7.769 1.00 0.00 O ATOM 1149 CB ALA A 71 11.092 18.968 7.809 1.00 0.00 C ATOM 0 H ALA A 71 12.675 20.698 6.854 1.00 0.00 H new ATOM 0 HA ALA A 71 10.555 19.031 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.174 18.467 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.873 18.226 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.407 19.660 8.590 1.00 0.00 H new ATOM 1155 N LYS A 72 9.419 21.501 5.660 1.00 0.00 N ATOM 1156 CA LYS A 72 8.349 22.490 5.706 1.00 0.00 C ATOM 1157 C LYS A 72 7.019 21.837 6.068 1.00 0.00 C ATOM 1158 O LYS A 72 6.786 20.668 5.757 1.00 0.00 O ATOM 1159 CB LYS A 72 8.229 23.205 4.358 1.00 0.00 C ATOM 1160 CG LYS A 72 7.678 24.616 4.465 1.00 0.00 C ATOM 1161 CD LYS A 72 6.875 24.996 3.232 1.00 0.00 C ATOM 1162 CE LYS A 72 7.783 25.338 2.060 1.00 0.00 C ATOM 1163 NZ LYS A 72 7.133 25.046 0.752 1.00 0.00 N ATOM 0 H LYS A 72 9.918 21.461 4.771 1.00 0.00 H new ATOM 0 HA LYS A 72 8.596 23.220 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.211 23.242 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.583 22.621 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.047 24.695 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.500 25.320 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.218 24.171 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.237 25.850 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.052 26.393 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.710 24.769 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.783 25.292 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.899 24.034 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.262 25.608 0.664 1.00 0.00 H new TER 1177 LYS A 72