USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HD1:sc= 0.71 K(o=1.3,f=-1.1) USER MOD Set 1.2: A 49 SER OG : rot -163:sc= 0.631 USER MOD Single : A 1 MET CE :methyl 161:sc= -2.33 (180deg=-3.1!) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.123 (180deg=-0.0481) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.143) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 8 SER OG : rot -150:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.12) USER MOD Single : A 26 THR OG1 : rot -34:sc= 0.696 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -139:sc= -2.16! (180deg=-3.46!) USER MOD Single : A 34 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.14) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc=-0.00198 (180deg=-0.0593) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.240 9.975 13.588 1.00 0.00 N ATOM 2 CA MET A 1 -6.696 9.721 12.233 1.00 0.00 C ATOM 3 C MET A 1 -6.453 8.229 12.043 1.00 0.00 C ATOM 4 O MET A 1 -6.893 7.412 12.855 1.00 0.00 O ATOM 5 CB MET A 1 -5.381 10.481 12.030 1.00 0.00 C ATOM 6 CG MET A 1 -5.520 11.994 12.098 1.00 0.00 C ATOM 7 SD MET A 1 -6.656 12.655 10.860 1.00 0.00 S ATOM 8 CE MET A 1 -5.854 12.156 9.337 1.00 0.00 C ATOM 0 H1 MET A 1 -8.117 10.529 13.512 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.443 9.069 14.056 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.543 10.506 14.148 1.00 0.00 H new ATOM 0 HA MET A 1 -7.423 10.069 11.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.667 10.158 12.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.963 10.209 11.061 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.869 12.277 13.091 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.539 12.450 11.963 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.575 12.185 8.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.031 12.836 9.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.468 11.142 9.444 1.00 0.00 H new ATOM 18 N GLY A 2 -5.763 7.880 10.967 1.00 0.00 N ATOM 19 CA GLY A 2 -5.383 6.504 10.738 1.00 0.00 C ATOM 20 C GLY A 2 -4.024 6.418 10.086 1.00 0.00 C ATOM 21 O GLY A 2 -3.153 7.245 10.358 1.00 0.00 O ATOM 0 H GLY A 2 -5.458 8.532 10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.371 5.964 11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.125 6.019 10.104 1.00 0.00 H new ATOM 25 N LEU A 3 -3.836 5.424 9.231 1.00 0.00 N ATOM 26 CA LEU A 3 -2.596 5.287 8.484 1.00 0.00 C ATOM 27 C LEU A 3 -2.388 6.497 7.583 1.00 0.00 C ATOM 28 O LEU A 3 -3.271 6.858 6.802 1.00 0.00 O ATOM 29 CB LEU A 3 -2.605 4.004 7.647 1.00 0.00 C ATOM 30 CG LEU A 3 -2.653 2.701 8.447 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.687 1.504 7.508 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.458 2.611 9.387 1.00 0.00 C ATOM 0 H LEU A 3 -4.528 4.700 9.037 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.773 5.229 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.465 4.032 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.714 3.993 7.020 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.563 2.694 9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.721 0.584 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.571 1.564 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.793 1.505 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.507 1.678 9.949 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.536 2.637 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.475 3.453 10.079 1.00 0.00 H new ATOM 43 N LYS A 4 -1.234 7.131 7.714 1.00 0.00 N ATOM 44 CA LYS A 4 -0.915 8.308 6.925 1.00 0.00 C ATOM 45 C LYS A 4 -0.155 7.912 5.670 1.00 0.00 C ATOM 46 O LYS A 4 0.396 6.817 5.594 1.00 0.00 O ATOM 47 CB LYS A 4 -0.060 9.280 7.735 1.00 0.00 C ATOM 48 CG LYS A 4 -0.676 9.717 9.053 1.00 0.00 C ATOM 49 CD LYS A 4 -2.029 10.377 8.859 1.00 0.00 C ATOM 50 CE LYS A 4 -2.235 11.516 9.842 1.00 0.00 C ATOM 51 NZ LYS A 4 -1.376 12.691 9.522 1.00 0.00 N ATOM 0 H LYS A 4 -0.500 6.848 8.363 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.852 8.792 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.904 8.814 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.134 10.165 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.786 8.851 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.003 10.412 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.108 10.755 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.819 9.637 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.282 11.819 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.013 11.169 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.748 13.535 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.404 12.509 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.375 12.851 8.494 1.00 0.00 H new ATOM 61 N TRP A 5 -0.098 8.817 4.703 1.00 0.00 N ATOM 62 CA TRP A 5 0.625 8.559 3.466 1.00 0.00 C ATOM 63 C TRP A 5 2.128 8.557 3.713 1.00 0.00 C ATOM 64 O TRP A 5 2.884 7.884 3.013 1.00 0.00 O ATOM 65 CB TRP A 5 0.265 9.598 2.403 1.00 0.00 C ATOM 66 CG TRP A 5 -1.126 9.442 1.868 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.120 10.374 1.885 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.680 8.277 1.242 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.253 9.867 1.300 1.00 0.00 N ATOM 70 CE2 TRP A 5 -3.010 8.580 0.903 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.181 7.008 0.934 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.849 7.665 0.271 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -2.014 6.100 0.309 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.335 6.431 -0.017 1.00 0.00 C ATOM 0 H TRP A 5 -0.542 9.734 4.751 1.00 0.00 H new ATOM 0 HA TRP A 5 0.332 7.575 3.101 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.373 10.596 2.829 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.974 9.525 1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.029 11.367 2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.133 10.368 1.180 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.163 6.742 1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.867 7.921 0.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.639 5.116 0.067 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.960 5.698 -0.505 1.00 0.00 H new ATOM 84 N THR A 6 2.555 9.312 4.716 1.00 0.00 N ATOM 85 CA THR A 6 3.955 9.347 5.099 1.00 0.00 C ATOM 86 C THR A 6 4.330 8.108 5.902 1.00 0.00 C ATOM 87 O THR A 6 5.505 7.756 6.016 1.00 0.00 O ATOM 88 CB THR A 6 4.271 10.612 5.909 1.00 0.00 C ATOM 89 OG1 THR A 6 3.176 10.912 6.789 1.00 0.00 O ATOM 90 CG2 THR A 6 4.528 11.786 4.982 1.00 0.00 C ATOM 0 H THR A 6 1.949 9.909 5.279 1.00 0.00 H new ATOM 0 HA THR A 6 4.547 9.362 4.184 1.00 0.00 H new ATOM 0 HB THR A 6 5.169 10.434 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.383 11.719 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.750 12.674 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.375 11.560 4.334 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.643 11.968 4.372 1.00 0.00 H new ATOM 98 N ASP A 7 3.321 7.432 6.434 1.00 0.00 N ATOM 99 CA ASP A 7 3.527 6.199 7.183 1.00 0.00 C ATOM 100 C ASP A 7 3.456 5.004 6.241 1.00 0.00 C ATOM 101 O ASP A 7 2.840 3.984 6.552 1.00 0.00 O ATOM 102 CB ASP A 7 2.490 6.056 8.304 1.00 0.00 C ATOM 103 CG ASP A 7 2.740 7.006 9.460 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.294 8.170 9.392 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.376 6.587 10.448 1.00 0.00 O ATOM 0 H ASP A 7 2.345 7.719 6.360 1.00 0.00 H new ATOM 0 HA ASP A 7 4.515 6.235 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.495 6.239 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.500 5.031 8.674 1.00 0.00 H new ATOM 109 N SER A 8 4.112 5.146 5.094 1.00 0.00 N ATOM 110 CA SER A 8 4.097 4.130 4.048 1.00 0.00 C ATOM 111 C SER A 8 4.620 2.789 4.556 1.00 0.00 C ATOM 112 O SER A 8 4.177 1.733 4.109 1.00 0.00 O ATOM 113 CB SER A 8 4.927 4.608 2.855 1.00 0.00 C ATOM 114 OG SER A 8 6.215 5.038 3.268 1.00 0.00 O ATOM 0 H SER A 8 4.669 5.969 4.864 1.00 0.00 H new ATOM 0 HA SER A 8 3.064 3.979 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.025 3.800 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.411 5.426 2.353 1.00 0.00 H new ATOM 0 HG SER A 8 6.536 5.739 2.663 1.00 0.00 H new ATOM 119 N ARG A 9 5.544 2.843 5.507 1.00 0.00 N ATOM 120 CA ARG A 9 6.137 1.640 6.079 1.00 0.00 C ATOM 121 C ARG A 9 5.067 0.812 6.779 1.00 0.00 C ATOM 122 O ARG A 9 4.954 -0.395 6.566 1.00 0.00 O ATOM 123 CB ARG A 9 7.230 2.016 7.079 1.00 0.00 C ATOM 124 CG ARG A 9 8.008 0.825 7.614 1.00 0.00 C ATOM 125 CD ARG A 9 8.822 1.204 8.840 1.00 0.00 C ATOM 126 NE ARG A 9 7.960 1.533 9.977 1.00 0.00 N ATOM 127 CZ ARG A 9 8.339 2.244 11.036 1.00 0.00 C ATOM 128 NH1 ARG A 9 9.555 2.772 11.099 1.00 0.00 N ATOM 129 NH2 ARG A 9 7.481 2.443 12.029 1.00 0.00 N ATOM 0 H ARG A 9 5.901 3.713 5.901 1.00 0.00 H new ATOM 0 HA ARG A 9 6.577 1.051 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.925 2.707 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.777 2.548 7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.317 0.021 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.671 0.443 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.482 0.379 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.458 2.057 8.606 1.00 0.00 H new ATOM 0 HE ARG A 9 6.999 1.192 9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.211 2.635 10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.833 3.315 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.540 2.052 11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.762 2.987 12.845 1.00 0.00 H new ATOM 140 N GLU A 10 4.270 1.491 7.594 1.00 0.00 N ATOM 141 CA GLU A 10 3.208 0.846 8.352 1.00 0.00 C ATOM 142 C GLU A 10 2.154 0.290 7.406 1.00 0.00 C ATOM 143 O GLU A 10 1.574 -0.772 7.651 1.00 0.00 O ATOM 144 CB GLU A 10 2.564 1.850 9.313 1.00 0.00 C ATOM 145 CG GLU A 10 3.566 2.598 10.179 1.00 0.00 C ATOM 146 CD GLU A 10 4.400 1.679 11.046 1.00 0.00 C ATOM 147 OE1 GLU A 10 5.402 1.132 10.548 1.00 0.00 O ATOM 148 OE2 GLU A 10 4.066 1.509 12.233 1.00 0.00 O ATOM 0 H GLU A 10 4.341 2.497 7.747 1.00 0.00 H new ATOM 0 HA GLU A 10 3.637 0.026 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.986 2.572 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.862 1.322 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.226 3.183 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.032 3.304 10.816 1.00 0.00 H new ATOM 153 N ILE A 11 1.925 1.009 6.315 1.00 0.00 N ATOM 154 CA ILE A 11 0.929 0.610 5.333 1.00 0.00 C ATOM 155 C ILE A 11 1.400 -0.610 4.548 1.00 0.00 C ATOM 156 O ILE A 11 0.611 -1.504 4.235 1.00 0.00 O ATOM 157 CB ILE A 11 0.611 1.756 4.353 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.087 2.978 5.111 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.402 1.295 3.320 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.250 4.150 4.217 1.00 0.00 C ATOM 0 H ILE A 11 2.417 1.873 6.089 1.00 0.00 H new ATOM 0 HA ILE A 11 0.021 0.358 5.881 1.00 0.00 H new ATOM 0 HB ILE A 11 1.529 2.040 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.803 2.692 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.835 3.291 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.619 2.113 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.005 0.451 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.320 0.989 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.615 4.978 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.643 4.463 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.021 3.855 3.506 1.00 0.00 H new ATOM 171 N GLY A 12 2.691 -0.641 4.242 1.00 0.00 N ATOM 172 CA GLY A 12 3.263 -1.764 3.525 1.00 0.00 C ATOM 173 C GLY A 12 3.023 -3.077 4.233 1.00 0.00 C ATOM 174 O GLY A 12 2.594 -4.054 3.619 1.00 0.00 O ATOM 0 H GLY A 12 3.355 0.096 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.834 -1.810 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.335 -1.608 3.406 1.00 0.00 H new ATOM 178 N GLU A 13 3.281 -3.098 5.534 1.00 0.00 N ATOM 179 CA GLU A 13 3.062 -4.296 6.328 1.00 0.00 C ATOM 180 C GLU A 13 1.575 -4.630 6.409 1.00 0.00 C ATOM 181 O GLU A 13 1.200 -5.797 6.498 1.00 0.00 O ATOM 182 CB GLU A 13 3.646 -4.128 7.729 1.00 0.00 C ATOM 183 CG GLU A 13 5.152 -3.926 7.730 1.00 0.00 C ATOM 184 CD GLU A 13 5.742 -3.938 9.123 1.00 0.00 C ATOM 185 OE1 GLU A 13 5.969 -5.039 9.667 1.00 0.00 O ATOM 186 OE2 GLU A 13 5.992 -2.851 9.678 1.00 0.00 O ATOM 0 H GLU A 13 3.641 -2.301 6.059 1.00 0.00 H new ATOM 0 HA GLU A 13 3.573 -5.124 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.171 -3.275 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.404 -5.008 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.620 -4.710 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.387 -2.977 7.248 1.00 0.00 H new ATOM 191 N ALA A 14 0.732 -3.600 6.364 1.00 0.00 N ATOM 192 CA ALA A 14 -0.714 -3.802 6.365 1.00 0.00 C ATOM 193 C ALA A 14 -1.143 -4.562 5.119 1.00 0.00 C ATOM 194 O ALA A 14 -1.867 -5.557 5.198 1.00 0.00 O ATOM 195 CB ALA A 14 -1.451 -2.472 6.439 1.00 0.00 C ATOM 0 H ALA A 14 1.024 -2.623 6.327 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.971 -4.388 7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.526 -2.651 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.171 -1.951 7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.185 -1.860 5.577 1.00 0.00 H new ATOM 201 N LEU A 15 -0.674 -4.090 3.968 1.00 0.00 N ATOM 202 CA LEU A 15 -1.008 -4.705 2.692 1.00 0.00 C ATOM 203 C LEU A 15 -0.399 -6.098 2.590 1.00 0.00 C ATOM 204 O LEU A 15 -1.028 -7.019 2.077 1.00 0.00 O ATOM 205 CB LEU A 15 -0.537 -3.829 1.524 1.00 0.00 C ATOM 206 CG LEU A 15 -1.129 -2.416 1.478 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.802 -1.744 0.158 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.631 -2.451 1.707 1.00 0.00 C ATOM 0 H LEU A 15 -0.059 -3.280 3.895 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.093 -4.797 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.549 -3.748 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.781 -4.337 0.591 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.679 -1.832 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.231 -0.742 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.280 -1.678 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.220 -2.329 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.028 -1.437 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.103 -3.054 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.840 -2.887 2.684 1.00 0.00 H new ATOM 219 N TYR A 16 0.817 -6.250 3.100 1.00 0.00 N ATOM 220 CA TYR A 16 1.493 -7.542 3.093 1.00 0.00 C ATOM 221 C TYR A 16 0.747 -8.557 3.961 1.00 0.00 C ATOM 222 O TYR A 16 0.661 -9.735 3.621 1.00 0.00 O ATOM 223 CB TYR A 16 2.938 -7.387 3.579 1.00 0.00 C ATOM 224 CG TYR A 16 3.672 -8.702 3.728 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.130 -9.397 2.614 1.00 0.00 C ATOM 226 CD2 TYR A 16 3.896 -9.254 4.983 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.788 -10.608 2.749 1.00 0.00 C ATOM 228 CE2 TYR A 16 4.555 -10.460 5.124 1.00 0.00 C ATOM 229 CZ TYR A 16 4.997 -11.133 4.007 1.00 0.00 C ATOM 230 OH TYR A 16 5.643 -12.340 4.152 1.00 0.00 O ATOM 0 H TYR A 16 1.356 -5.495 3.524 1.00 0.00 H new ATOM 0 HA TYR A 16 1.503 -7.915 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.482 -6.754 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.936 -6.871 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.970 -8.986 1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.549 -8.732 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.135 -11.138 1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.723 -10.874 6.107 1.00 0.00 H new ATOM 0 HH TYR A 16 5.708 -12.564 5.104 1.00 0.00 H new ATOM 239 N ASP A 17 0.211 -8.095 5.082 1.00 0.00 N ATOM 240 CA ASP A 17 -0.554 -8.958 5.978 1.00 0.00 C ATOM 241 C ASP A 17 -1.897 -9.327 5.360 1.00 0.00 C ATOM 242 O ASP A 17 -2.381 -10.447 5.520 1.00 0.00 O ATOM 243 CB ASP A 17 -0.772 -8.270 7.327 1.00 0.00 C ATOM 244 CG ASP A 17 -1.613 -9.098 8.280 1.00 0.00 C ATOM 245 OD1 ASP A 17 -1.084 -10.076 8.851 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.807 -8.775 8.461 1.00 0.00 O ATOM 0 H ASP A 17 0.291 -7.127 5.395 1.00 0.00 H new ATOM 0 HA ASP A 17 0.018 -9.872 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.195 -8.066 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.257 -7.307 7.165 1.00 0.00 H new ATOM 250 N ALA A 18 -2.486 -8.380 4.640 1.00 0.00 N ATOM 251 CA ALA A 18 -3.779 -8.596 4.007 1.00 0.00 C ATOM 252 C ALA A 18 -3.646 -9.493 2.782 1.00 0.00 C ATOM 253 O ALA A 18 -4.421 -10.430 2.602 1.00 0.00 O ATOM 254 CB ALA A 18 -4.408 -7.265 3.624 1.00 0.00 C ATOM 0 H ALA A 18 -2.088 -7.455 4.480 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.428 -9.098 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.374 -7.442 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.547 -6.657 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.754 -6.741 2.927 1.00 0.00 H new ATOM 260 N TYR A 19 -2.651 -9.208 1.951 1.00 0.00 N ATOM 261 CA TYR A 19 -2.437 -9.964 0.724 1.00 0.00 C ATOM 262 C TYR A 19 -1.009 -10.513 0.668 1.00 0.00 C ATOM 263 O TYR A 19 -0.186 -10.031 -0.107 1.00 0.00 O ATOM 264 CB TYR A 19 -2.692 -9.073 -0.498 1.00 0.00 C ATOM 265 CG TYR A 19 -4.058 -8.423 -0.518 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.186 -9.143 -0.887 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.216 -7.086 -0.172 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.432 -8.551 -0.913 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.460 -6.486 -0.193 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.566 -7.223 -0.564 1.00 0.00 C ATOM 271 OH TYR A 19 -7.810 -6.632 -0.594 1.00 0.00 O ATOM 0 H TYR A 19 -1.978 -8.457 2.105 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.136 -10.800 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.931 -8.294 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.574 -9.672 -1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.087 -10.184 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.352 -6.507 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.299 -9.125 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.566 -5.446 0.079 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.733 -5.694 -0.320 1.00 0.00 H new ATOM 280 N PRO A 20 -0.695 -11.536 1.484 1.00 0.00 N ATOM 281 CA PRO A 20 0.658 -12.089 1.559 1.00 0.00 C ATOM 282 C PRO A 20 0.998 -12.980 0.364 1.00 0.00 C ATOM 283 O PRO A 20 2.145 -13.030 -0.078 1.00 0.00 O ATOM 284 CB PRO A 20 0.633 -12.906 2.852 1.00 0.00 C ATOM 285 CG PRO A 20 -0.790 -13.314 3.020 1.00 0.00 C ATOM 286 CD PRO A 20 -1.628 -12.227 2.398 1.00 0.00 C ATOM 0 HA PRO A 20 1.418 -11.307 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.288 -13.775 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.977 -12.314 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.978 -14.272 2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.036 -13.436 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.482 -12.639 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.025 -11.548 3.152 1.00 0.00 H new ATOM 291 N ASP A 21 -0.006 -13.669 -0.163 1.00 0.00 N ATOM 292 CA ASP A 21 0.194 -14.590 -1.280 1.00 0.00 C ATOM 293 C ASP A 21 0.008 -13.878 -2.614 1.00 0.00 C ATOM 294 O ASP A 21 0.134 -14.489 -3.676 1.00 0.00 O ATOM 295 CB ASP A 21 -0.776 -15.773 -1.189 1.00 0.00 C ATOM 296 CG ASP A 21 -2.225 -15.354 -1.334 1.00 0.00 C ATOM 297 OD1 ASP A 21 -2.823 -14.920 -0.328 1.00 0.00 O ATOM 298 OD2 ASP A 21 -2.770 -15.453 -2.452 1.00 0.00 O ATOM 0 H ASP A 21 -0.970 -13.609 0.164 1.00 0.00 H new ATOM 0 HA ASP A 21 1.216 -14.963 -1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.532 -16.498 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.641 -16.275 -0.231 1.00 0.00 H new ATOM 302 N LEU A 22 -0.277 -12.588 -2.557 1.00 0.00 N ATOM 303 CA LEU A 22 -0.508 -11.807 -3.762 1.00 0.00 C ATOM 304 C LEU A 22 0.820 -11.240 -4.254 1.00 0.00 C ATOM 305 O LEU A 22 1.596 -10.698 -3.468 1.00 0.00 O ATOM 306 CB LEU A 22 -1.517 -10.683 -3.469 1.00 0.00 C ATOM 307 CG LEU A 22 -2.307 -10.152 -4.674 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.482 -9.315 -4.200 1.00 0.00 C ATOM 309 CD2 LEU A 22 -1.424 -9.325 -5.597 1.00 0.00 C ATOM 0 H LEU A 22 -0.354 -12.058 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.927 -12.441 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.227 -11.045 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.980 -9.849 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.675 -11.010 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.035 -8.943 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.140 -9.927 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.115 -8.472 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.015 -8.965 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.019 -8.475 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.605 -9.942 -5.966 1.00 0.00 H new ATOM 320 N ASP A 23 1.086 -11.406 -5.546 1.00 0.00 N ATOM 321 CA ASP A 23 2.315 -10.907 -6.159 1.00 0.00 C ATOM 322 C ASP A 23 2.332 -9.380 -6.153 1.00 0.00 C ATOM 323 O ASP A 23 1.559 -8.743 -6.865 1.00 0.00 O ATOM 324 CB ASP A 23 2.433 -11.424 -7.596 1.00 0.00 C ATOM 325 CG ASP A 23 3.738 -11.029 -8.258 1.00 0.00 C ATOM 326 OD1 ASP A 23 3.865 -9.866 -8.690 1.00 0.00 O ATOM 327 OD2 ASP A 23 4.639 -11.887 -8.361 1.00 0.00 O ATOM 0 H ASP A 23 0.462 -11.886 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 23 3.164 -11.269 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.346 -12.511 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.601 -11.039 -8.185 1.00 0.00 H new ATOM 331 N PRO A 24 3.221 -8.771 -5.356 1.00 0.00 N ATOM 332 CA PRO A 24 3.268 -7.315 -5.199 1.00 0.00 C ATOM 333 C PRO A 24 3.916 -6.612 -6.391 1.00 0.00 C ATOM 334 O PRO A 24 3.911 -5.384 -6.479 1.00 0.00 O ATOM 335 CB PRO A 24 4.114 -7.131 -3.937 1.00 0.00 C ATOM 336 CG PRO A 24 5.014 -8.318 -3.908 1.00 0.00 C ATOM 337 CD PRO A 24 4.243 -9.451 -4.535 1.00 0.00 C ATOM 0 HA PRO A 24 2.271 -6.879 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.684 -6.203 -3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.489 -7.086 -3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.934 -8.122 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.301 -8.563 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.888 -10.085 -5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.788 -10.091 -3.779 1.00 0.00 H new ATOM 342 N LYS A 25 4.458 -7.394 -7.314 1.00 0.00 N ATOM 343 CA LYS A 25 5.152 -6.843 -8.470 1.00 0.00 C ATOM 344 C LYS A 25 4.166 -6.495 -9.577 1.00 0.00 C ATOM 345 O LYS A 25 4.423 -5.605 -10.386 1.00 0.00 O ATOM 346 CB LYS A 25 6.200 -7.834 -8.977 1.00 0.00 C ATOM 347 CG LYS A 25 7.309 -8.094 -7.973 1.00 0.00 C ATOM 348 CD LYS A 25 8.240 -9.209 -8.420 1.00 0.00 C ATOM 349 CE LYS A 25 7.525 -10.549 -8.488 1.00 0.00 C ATOM 350 NZ LYS A 25 8.481 -11.682 -8.602 1.00 0.00 N ATOM 0 H LYS A 25 4.431 -8.413 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 25 5.656 -5.926 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.711 -8.777 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.636 -7.452 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.884 -7.180 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.871 -8.354 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.653 -8.967 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.080 -9.280 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.912 -10.679 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.849 -10.557 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.956 -12.565 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.127 -11.512 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.030 -11.763 -7.722 1.00 0.00 H new ATOM 360 N THR A 26 3.042 -7.198 -9.611 1.00 0.00 N ATOM 361 CA THR A 26 2.003 -6.908 -10.589 1.00 0.00 C ATOM 362 C THR A 26 1.008 -5.880 -10.044 1.00 0.00 C ATOM 363 O THR A 26 0.082 -5.469 -10.745 1.00 0.00 O ATOM 364 CB THR A 26 1.250 -8.187 -11.032 1.00 0.00 C ATOM 365 OG1 THR A 26 0.304 -7.873 -12.067 1.00 0.00 O ATOM 366 CG2 THR A 26 0.521 -8.835 -9.864 1.00 0.00 C ATOM 0 H THR A 26 2.827 -7.968 -8.977 1.00 0.00 H new ATOM 0 HA THR A 26 2.501 -6.491 -11.464 1.00 0.00 H new ATOM 0 HB THR A 26 1.991 -8.891 -11.411 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.062 -6.977 -11.915 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.003 -9.730 -10.210 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.241 -9.108 -9.092 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.204 -8.132 -9.453 1.00 0.00 H new ATOM 374 N VAL A 27 1.204 -5.462 -8.797 1.00 0.00 N ATOM 375 CA VAL A 27 0.345 -4.449 -8.198 1.00 0.00 C ATOM 376 C VAL A 27 0.830 -3.064 -8.591 1.00 0.00 C ATOM 377 O VAL A 27 1.933 -2.657 -8.227 1.00 0.00 O ATOM 378 CB VAL A 27 0.304 -4.549 -6.655 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.684 -3.546 -6.082 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.048 -5.960 -6.214 1.00 0.00 C ATOM 0 H VAL A 27 1.945 -5.807 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.664 -4.623 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 27 1.296 -4.312 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.700 -3.631 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.382 -2.537 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.680 -3.750 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.071 -6.006 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.027 -6.231 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.701 -6.656 -6.591 1.00 0.00 H new ATOM 390 N ARG A 28 0.020 -2.351 -9.350 1.00 0.00 N ATOM 391 CA ARG A 28 0.378 -1.008 -9.764 1.00 0.00 C ATOM 392 C ARG A 28 -0.095 -0.008 -8.722 1.00 0.00 C ATOM 393 O ARG A 28 -0.829 -0.374 -7.799 1.00 0.00 O ATOM 394 CB ARG A 28 -0.239 -0.682 -11.120 1.00 0.00 C ATOM 395 CG ARG A 28 0.078 -1.707 -12.194 1.00 0.00 C ATOM 396 CD ARG A 28 -0.822 -1.522 -13.401 1.00 0.00 C ATOM 397 NE ARG A 28 -2.235 -1.583 -13.033 1.00 0.00 N ATOM 398 CZ ARG A 28 -3.231 -1.208 -13.830 1.00 0.00 C ATOM 399 NH1 ARG A 28 -2.976 -0.795 -15.069 1.00 0.00 N ATOM 400 NH2 ARG A 28 -4.485 -1.269 -13.392 1.00 0.00 N ATOM 0 H ARG A 28 -0.885 -2.676 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 28 1.462 -0.947 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.321 -0.607 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.117 0.295 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.121 -1.613 -12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.048 -2.712 -11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.609 -0.562 -13.871 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.604 -2.293 -14.140 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.472 -1.936 -12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.015 -0.766 -15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.742 -0.508 -15.679 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.680 -1.602 -12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.252 -0.982 -14.000 1.00 0.00 H new ATOM 411 N PHE A 29 0.294 1.245 -8.872 1.00 0.00 N ATOM 412 CA PHE A 29 -0.067 2.268 -7.903 1.00 0.00 C ATOM 413 C PHE A 29 -1.579 2.443 -7.851 1.00 0.00 C ATOM 414 O PHE A 29 -2.167 2.543 -6.771 1.00 0.00 O ATOM 415 CB PHE A 29 0.613 3.593 -8.247 1.00 0.00 C ATOM 416 CG PHE A 29 2.108 3.481 -8.350 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.839 2.879 -7.340 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.780 3.971 -9.458 1.00 0.00 C ATOM 419 CE1 PHE A 29 4.211 2.763 -7.434 1.00 0.00 C ATOM 420 CE2 PHE A 29 4.154 3.861 -9.556 1.00 0.00 C ATOM 421 CZ PHE A 29 4.870 3.256 -8.542 1.00 0.00 C ATOM 0 H PHE A 29 0.858 1.580 -9.653 1.00 0.00 H new ATOM 0 HA PHE A 29 0.277 1.948 -6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.217 3.963 -9.193 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.362 4.331 -7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.330 2.496 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.224 4.444 -10.254 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.769 2.287 -6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.667 4.248 -10.424 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.944 3.169 -8.616 1.00 0.00 H new ATOM 430 N THR A 30 -2.203 2.450 -9.023 1.00 0.00 N ATOM 431 CA THR A 30 -3.650 2.580 -9.126 1.00 0.00 C ATOM 432 C THR A 30 -4.361 1.448 -8.380 1.00 0.00 C ATOM 433 O THR A 30 -5.266 1.696 -7.579 1.00 0.00 O ATOM 434 CB THR A 30 -4.096 2.580 -10.601 1.00 0.00 C ATOM 435 OG1 THR A 30 -3.329 3.539 -11.339 1.00 0.00 O ATOM 436 CG2 THR A 30 -5.580 2.908 -10.726 1.00 0.00 C ATOM 0 H THR A 30 -1.725 2.367 -9.920 1.00 0.00 H new ATOM 0 HA THR A 30 -3.925 3.530 -8.668 1.00 0.00 H new ATOM 0 HB THR A 30 -3.929 1.582 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.614 3.535 -12.276 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.867 2.901 -11.778 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.164 2.163 -10.186 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.771 3.895 -10.304 1.00 0.00 H new ATOM 444 N ASP A 31 -3.927 0.212 -8.626 1.00 0.00 N ATOM 445 CA ASP A 31 -4.555 -0.961 -8.020 1.00 0.00 C ATOM 446 C ASP A 31 -4.369 -0.933 -6.511 1.00 0.00 C ATOM 447 O ASP A 31 -5.314 -1.136 -5.748 1.00 0.00 O ATOM 448 CB ASP A 31 -3.956 -2.260 -8.571 1.00 0.00 C ATOM 449 CG ASP A 31 -3.823 -2.271 -10.081 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.834 -2.079 -10.787 1.00 0.00 O ATOM 451 OD2 ASP A 31 -2.694 -2.476 -10.571 1.00 0.00 O ATOM 0 H ASP A 31 -3.142 -0.003 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.616 -0.931 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.973 -2.415 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.581 -3.098 -8.263 1.00 0.00 H new ATOM 455 N MET A 32 -3.140 -0.663 -6.091 1.00 0.00 N ATOM 456 CA MET A 32 -2.799 -0.600 -4.676 1.00 0.00 C ATOM 457 C MET A 32 -3.632 0.470 -3.977 1.00 0.00 C ATOM 458 O MET A 32 -4.085 0.278 -2.850 1.00 0.00 O ATOM 459 CB MET A 32 -1.314 -0.285 -4.515 1.00 0.00 C ATOM 460 CG MET A 32 -0.742 -0.722 -3.179 1.00 0.00 C ATOM 461 SD MET A 32 0.827 0.076 -2.797 1.00 0.00 S ATOM 462 CE MET A 32 0.303 1.780 -2.667 1.00 0.00 C ATOM 0 H MET A 32 -2.356 -0.482 -6.717 1.00 0.00 H new ATOM 0 HA MET A 32 -3.014 -1.566 -4.220 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.759 -0.773 -5.316 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.164 0.788 -4.631 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.460 -0.497 -2.390 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.603 -1.803 -3.185 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.042 2.425 -3.142 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.659 1.904 -3.164 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.206 2.052 -1.616 1.00 0.00 H new ATOM 470 N HIS A 33 -3.851 1.589 -4.667 1.00 0.00 N ATOM 471 CA HIS A 33 -4.617 2.698 -4.105 1.00 0.00 C ATOM 472 C HIS A 33 -6.058 2.282 -3.826 1.00 0.00 C ATOM 473 O HIS A 33 -6.688 2.798 -2.907 1.00 0.00 O ATOM 474 CB HIS A 33 -4.595 3.919 -5.038 1.00 0.00 C ATOM 475 CG HIS A 33 -5.313 5.117 -4.476 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.255 5.837 -5.178 1.00 0.00 N ATOM 477 CD2 HIS A 33 -5.222 5.713 -3.261 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.712 6.818 -4.420 1.00 0.00 C ATOM 479 NE2 HIS A 33 -6.102 6.767 -3.252 1.00 0.00 N ATOM 0 H HIS A 33 -3.509 1.750 -5.614 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.144 2.975 -3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.560 4.190 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.050 3.647 -5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.576 5.413 -2.449 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.460 7.541 -4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.258 7.405 -2.471 1.00 0.00 H new ATOM 487 N GLN A 34 -6.563 1.336 -4.604 1.00 0.00 N ATOM 488 CA GLN A 34 -7.946 0.901 -4.472 1.00 0.00 C ATOM 489 C GLN A 34 -8.151 0.150 -3.168 1.00 0.00 C ATOM 490 O GLN A 34 -9.171 0.308 -2.503 1.00 0.00 O ATOM 491 CB GLN A 34 -8.355 0.019 -5.654 1.00 0.00 C ATOM 492 CG GLN A 34 -8.441 0.775 -6.970 1.00 0.00 C ATOM 493 CD GLN A 34 -9.538 1.827 -6.971 1.00 0.00 C ATOM 494 OE1 GLN A 34 -9.407 2.875 -7.602 1.00 0.00 O ATOM 495 NE2 GLN A 34 -10.636 1.548 -6.281 1.00 0.00 N ATOM 0 H GLN A 34 -6.036 0.855 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.577 1.790 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.636 -0.794 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.322 -0.436 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.483 1.254 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.621 0.068 -7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.707 0.668 -5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.409 2.213 -6.261 1.00 0.00 H new ATOM 502 N TRP A 35 -7.168 -0.652 -2.800 1.00 0.00 N ATOM 503 CA TRP A 35 -7.254 -1.439 -1.580 1.00 0.00 C ATOM 504 C TRP A 35 -6.836 -0.605 -0.376 1.00 0.00 C ATOM 505 O TRP A 35 -7.492 -0.630 0.664 1.00 0.00 O ATOM 506 CB TRP A 35 -6.377 -2.689 -1.685 1.00 0.00 C ATOM 507 CG TRP A 35 -6.638 -3.489 -2.925 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.855 -3.761 -3.483 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.664 -4.132 -3.752 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.693 -4.516 -4.618 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.358 -4.764 -4.801 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.270 -4.234 -3.710 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.706 -5.483 -5.798 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.625 -4.950 -4.698 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.342 -5.568 -5.730 1.00 0.00 C ATOM 0 H TRP A 35 -6.303 -0.776 -3.326 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.290 -1.750 -1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.328 -2.392 -1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.546 -3.319 -0.811 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.805 -3.431 -3.089 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.445 -4.840 -5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.708 -3.761 -2.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.257 -5.957 -6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.549 -5.035 -4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.808 -6.123 -6.487 1.00 0.00 H new ATOM 525 N ILE A 36 -5.757 0.158 -0.536 1.00 0.00 N ATOM 526 CA ILE A 36 -5.199 0.943 0.561 1.00 0.00 C ATOM 527 C ILE A 36 -6.168 2.051 0.992 1.00 0.00 C ATOM 528 O ILE A 36 -6.260 2.380 2.172 1.00 0.00 O ATOM 529 CB ILE A 36 -3.807 1.528 0.175 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.992 1.916 1.417 1.00 0.00 C ATOM 531 CG2 ILE A 36 -3.943 2.725 -0.756 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.368 3.243 2.046 1.00 0.00 C ATOM 0 H ILE A 36 -5.251 0.249 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.056 0.279 1.413 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.271 0.740 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.105 1.132 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.937 1.947 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.953 3.107 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.454 2.419 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.520 3.507 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.736 3.426 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.226 4.043 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.413 3.216 2.356 1.00 0.00 H new ATOM 543 N CYS A 37 -6.925 2.592 0.046 1.00 0.00 N ATOM 544 CA CYS A 37 -7.835 3.689 0.347 1.00 0.00 C ATOM 545 C CYS A 37 -9.085 3.172 1.054 1.00 0.00 C ATOM 546 O CYS A 37 -9.830 3.940 1.662 1.00 0.00 O ATOM 547 CB CYS A 37 -8.223 4.425 -0.938 1.00 0.00 C ATOM 548 SG CYS A 37 -9.006 6.032 -0.676 1.00 0.00 S ATOM 0 H CYS A 37 -6.927 2.292 -0.929 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.324 4.386 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.329 4.566 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.902 3.794 -1.512 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.291 6.568 -1.825 1.00 0.00 H new ATOM 553 N ASP A 38 -9.301 1.866 0.991 1.00 0.00 N ATOM 554 CA ASP A 38 -10.495 1.268 1.572 1.00 0.00 C ATOM 555 C ASP A 38 -10.147 0.508 2.849 1.00 0.00 C ATOM 556 O ASP A 38 -10.976 -0.208 3.410 1.00 0.00 O ATOM 557 CB ASP A 38 -11.162 0.336 0.559 1.00 0.00 C ATOM 558 CG ASP A 38 -12.604 0.032 0.914 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.374 0.989 1.147 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.981 -1.156 0.928 1.00 0.00 O ATOM 0 H ASP A 38 -8.668 1.202 0.545 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.194 2.064 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.123 0.792 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.600 -0.596 0.503 1.00 0.00 H new ATOM 564 N LEU A 39 -8.910 0.678 3.307 1.00 0.00 N ATOM 565 CA LEU A 39 -8.444 0.028 4.529 1.00 0.00 C ATOM 566 C LEU A 39 -9.176 0.576 5.746 1.00 0.00 C ATOM 567 O LEU A 39 -9.482 1.768 5.821 1.00 0.00 O ATOM 568 CB LEU A 39 -6.937 0.233 4.718 1.00 0.00 C ATOM 569 CG LEU A 39 -6.044 -0.405 3.656 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.580 -0.153 3.975 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.313 -1.893 3.554 1.00 0.00 C ATOM 0 H LEU A 39 -8.210 1.262 2.849 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.652 -1.037 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.735 1.304 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.654 -0.166 5.692 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.275 0.052 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.956 -0.614 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.392 0.920 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.340 -0.585 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.667 -2.328 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.111 -2.366 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.356 -2.056 3.282 1.00 0.00 H new ATOM 582 N GLU A 40 -9.434 -0.306 6.701 1.00 0.00 N ATOM 583 CA GLU A 40 -10.137 0.060 7.920 1.00 0.00 C ATOM 584 C GLU A 40 -9.213 0.831 8.856 1.00 0.00 C ATOM 585 O GLU A 40 -9.666 1.564 9.735 1.00 0.00 O ATOM 586 CB GLU A 40 -10.663 -1.193 8.623 1.00 0.00 C ATOM 587 CG GLU A 40 -11.506 -2.088 7.726 1.00 0.00 C ATOM 588 CD GLU A 40 -12.148 -3.239 8.474 1.00 0.00 C ATOM 589 OE1 GLU A 40 -13.269 -3.062 8.989 1.00 0.00 O ATOM 590 OE2 GLU A 40 -11.533 -4.328 8.551 1.00 0.00 O ATOM 0 H GLU A 40 -9.164 -1.288 6.653 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.980 0.698 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.818 -1.767 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.259 -0.893 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.285 -1.489 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.880 -2.485 6.927 1.00 0.00 H new ATOM 595 N ASP A 41 -7.912 0.651 8.667 1.00 0.00 N ATOM 596 CA ASP A 41 -6.917 1.332 9.486 1.00 0.00 C ATOM 597 C ASP A 41 -6.421 2.601 8.807 1.00 0.00 C ATOM 598 O ASP A 41 -5.797 3.450 9.444 1.00 0.00 O ATOM 599 CB ASP A 41 -5.735 0.406 9.779 1.00 0.00 C ATOM 600 CG ASP A 41 -6.126 -0.764 10.655 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.125 -0.607 11.895 1.00 0.00 O ATOM 602 OD2 ASP A 41 -6.459 -1.836 10.109 1.00 0.00 O ATOM 0 H ASP A 41 -7.520 0.038 7.952 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.396 1.607 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.327 0.033 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.943 0.974 10.267 1.00 0.00 H new ATOM 606 N PHE A 42 -6.688 2.724 7.514 1.00 0.00 N ATOM 607 CA PHE A 42 -6.274 3.901 6.764 1.00 0.00 C ATOM 608 C PHE A 42 -7.209 5.077 7.022 1.00 0.00 C ATOM 609 O PHE A 42 -8.430 4.916 7.039 1.00 0.00 O ATOM 610 CB PHE A 42 -6.222 3.606 5.261 1.00 0.00 C ATOM 611 CG PHE A 42 -6.060 4.838 4.417 1.00 0.00 C ATOM 612 CD1 PHE A 42 -4.856 5.522 4.386 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.122 5.323 3.670 1.00 0.00 C ATOM 614 CE1 PHE A 42 -4.711 6.663 3.624 1.00 0.00 C ATOM 615 CE2 PHE A 42 -6.985 6.466 2.908 1.00 0.00 C ATOM 616 CZ PHE A 42 -5.778 7.136 2.884 1.00 0.00 C ATOM 0 H PHE A 42 -7.188 2.025 6.964 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.274 4.167 7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.395 2.926 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.137 3.091 4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.021 5.158 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.067 4.801 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.766 7.185 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.820 6.835 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.668 8.029 2.287 1.00 0.00 H new ATOM 625 N ASP A 43 -6.618 6.250 7.216 1.00 0.00 N ATOM 626 CA ASP A 43 -7.370 7.489 7.351 1.00 0.00 C ATOM 627 C ASP A 43 -6.439 8.687 7.260 1.00 0.00 C ATOM 628 O ASP A 43 -5.724 9.004 8.214 1.00 0.00 O ATOM 629 CB ASP A 43 -8.141 7.549 8.671 1.00 0.00 C ATOM 630 CG ASP A 43 -8.900 8.854 8.818 1.00 0.00 C ATOM 631 OD1 ASP A 43 -9.840 9.085 8.034 1.00 0.00 O ATOM 632 OD2 ASP A 43 -8.560 9.653 9.717 1.00 0.00 O ATOM 0 H ASP A 43 -5.607 6.368 7.284 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.090 7.516 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.840 6.714 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.447 7.436 9.504 1.00 0.00 H new ATOM 636 N ASP A 44 -6.435 9.328 6.102 1.00 0.00 N ATOM 637 CA ASP A 44 -5.656 10.541 5.893 1.00 0.00 C ATOM 638 C ASP A 44 -6.333 11.417 4.845 1.00 0.00 C ATOM 639 O ASP A 44 -7.137 12.289 5.182 1.00 0.00 O ATOM 640 CB ASP A 44 -4.220 10.207 5.472 1.00 0.00 C ATOM 641 CG ASP A 44 -3.348 11.439 5.331 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.330 12.046 4.243 1.00 0.00 O ATOM 643 OD2 ASP A 44 -2.670 11.806 6.310 1.00 0.00 O ATOM 0 H ASP A 44 -6.967 9.026 5.286 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.607 11.088 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.777 9.536 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.240 9.671 4.523 1.00 0.00 H new ATOM 647 N ASP A 45 -6.023 11.180 3.579 1.00 0.00 N ATOM 648 CA ASP A 45 -6.692 11.880 2.493 1.00 0.00 C ATOM 649 C ASP A 45 -6.814 10.971 1.277 1.00 0.00 C ATOM 650 O ASP A 45 -5.808 10.566 0.695 1.00 0.00 O ATOM 651 CB ASP A 45 -5.934 13.148 2.108 1.00 0.00 C ATOM 652 CG ASP A 45 -6.845 14.190 1.493 1.00 0.00 C ATOM 653 OD1 ASP A 45 -7.601 13.857 0.555 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.822 15.352 1.958 1.00 0.00 O ATOM 0 H ASP A 45 -5.315 10.510 3.279 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.687 12.161 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.452 13.565 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.142 12.897 1.402 1.00 0.00 H new ATOM 658 N PRO A 46 -8.044 10.631 0.882 1.00 0.00 N ATOM 659 CA PRO A 46 -8.289 9.786 -0.284 1.00 0.00 C ATOM 660 C PRO A 46 -8.028 10.529 -1.588 1.00 0.00 C ATOM 661 O PRO A 46 -7.661 9.925 -2.598 1.00 0.00 O ATOM 662 CB PRO A 46 -9.775 9.421 -0.185 1.00 0.00 C ATOM 663 CG PRO A 46 -10.278 10.011 1.095 1.00 0.00 C ATOM 664 CD PRO A 46 -9.288 11.049 1.532 1.00 0.00 C ATOM 0 HA PRO A 46 -7.629 8.919 -0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.328 9.816 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.909 8.339 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.262 10.456 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.386 9.239 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.589 12.048 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.185 11.074 2.617 1.00 0.00 H new ATOM 669 N GLN A 47 -8.188 11.844 -1.546 1.00 0.00 N ATOM 670 CA GLN A 47 -8.118 12.669 -2.744 1.00 0.00 C ATOM 671 C GLN A 47 -6.720 13.250 -2.953 1.00 0.00 C ATOM 672 O GLN A 47 -6.569 14.376 -3.426 1.00 0.00 O ATOM 673 CB GLN A 47 -9.155 13.791 -2.663 1.00 0.00 C ATOM 674 CG GLN A 47 -10.584 13.291 -2.657 1.00 0.00 C ATOM 675 CD GLN A 47 -11.605 14.413 -2.642 1.00 0.00 C ATOM 676 OE1 GLN A 47 -11.361 15.492 -2.098 1.00 0.00 O ATOM 677 NE2 GLN A 47 -12.755 14.169 -3.244 1.00 0.00 N ATOM 0 H GLN A 47 -8.369 12.366 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.337 12.034 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.978 14.374 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.017 14.464 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.749 12.669 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.737 12.656 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.919 13.263 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.479 14.887 -3.270 1.00 0.00 H new ATOM 684 N ALA A 48 -5.704 12.480 -2.594 1.00 0.00 N ATOM 685 CA ALA A 48 -4.323 12.865 -2.853 1.00 0.00 C ATOM 686 C ALA A 48 -3.538 11.669 -3.372 1.00 0.00 C ATOM 687 O ALA A 48 -3.702 11.268 -4.523 1.00 0.00 O ATOM 688 CB ALA A 48 -3.662 13.437 -1.605 1.00 0.00 C ATOM 0 H ALA A 48 -5.809 11.582 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.325 13.647 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.633 13.714 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.211 14.319 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.669 12.688 -0.813 1.00 0.00 H new ATOM 694 N SER A 49 -2.718 11.085 -2.496 1.00 0.00 N ATOM 695 CA SER A 49 -1.925 9.894 -2.808 1.00 0.00 C ATOM 696 C SER A 49 -1.244 9.974 -4.175 1.00 0.00 C ATOM 697 O SER A 49 -1.565 9.206 -5.084 1.00 0.00 O ATOM 698 CB SER A 49 -2.792 8.630 -2.715 1.00 0.00 C ATOM 699 OG SER A 49 -4.026 8.781 -3.399 1.00 0.00 O ATOM 0 H SER A 49 -2.585 11.427 -1.544 1.00 0.00 H new ATOM 0 HA SER A 49 -1.131 9.843 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.246 7.784 -3.134 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.984 8.398 -1.667 1.00 0.00 H new ATOM 0 HG SER A 49 -4.650 8.085 -3.105 1.00 0.00 H new ATOM 704 N ASN A 50 -0.324 10.920 -4.323 1.00 0.00 N ATOM 705 CA ASN A 50 0.536 10.962 -5.507 1.00 0.00 C ATOM 706 C ASN A 50 1.263 9.628 -5.662 1.00 0.00 C ATOM 707 O ASN A 50 1.529 8.939 -4.675 1.00 0.00 O ATOM 708 CB ASN A 50 1.560 12.102 -5.409 1.00 0.00 C ATOM 709 CG ASN A 50 0.936 13.477 -5.569 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.768 13.965 -6.685 1.00 0.00 O ATOM 711 ND2 ASN A 50 0.607 14.122 -4.463 1.00 0.00 N ATOM 0 H ASN A 50 -0.152 11.664 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.092 11.143 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.064 12.048 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.323 11.964 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.200 15.055 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.761 13.686 -3.554 1.00 0.00 H new ATOM 717 N GLU A 51 1.579 9.266 -6.902 1.00 0.00 N ATOM 718 CA GLU A 51 2.133 7.945 -7.194 1.00 0.00 C ATOM 719 C GLU A 51 3.520 7.769 -6.575 1.00 0.00 C ATOM 720 O GLU A 51 3.971 6.645 -6.381 1.00 0.00 O ATOM 721 CB GLU A 51 2.171 7.672 -8.706 1.00 0.00 C ATOM 722 CG GLU A 51 3.295 8.366 -9.460 1.00 0.00 C ATOM 723 CD GLU A 51 3.214 9.875 -9.405 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.343 10.451 -10.084 1.00 0.00 O ATOM 725 OE2 GLU A 51 4.026 10.485 -8.683 1.00 0.00 O ATOM 0 H GLU A 51 1.462 9.865 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 51 1.469 7.211 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.259 6.597 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.220 7.981 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.251 8.046 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.275 8.046 -10.502 1.00 0.00 H new ATOM 730 N LYS A 52 4.191 8.877 -6.276 1.00 0.00 N ATOM 731 CA LYS A 52 5.444 8.832 -5.526 1.00 0.00 C ATOM 732 C LYS A 52 5.206 8.341 -4.102 1.00 0.00 C ATOM 733 O LYS A 52 6.042 7.646 -3.525 1.00 0.00 O ATOM 734 CB LYS A 52 6.111 10.206 -5.495 1.00 0.00 C ATOM 735 CG LYS A 52 6.864 10.541 -6.771 1.00 0.00 C ATOM 736 CD LYS A 52 7.557 11.892 -6.679 1.00 0.00 C ATOM 737 CE LYS A 52 8.497 11.972 -5.482 1.00 0.00 C ATOM 738 NZ LYS A 52 9.538 10.910 -5.505 1.00 0.00 N ATOM 0 H LYS A 52 3.890 9.815 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 52 6.108 8.132 -6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.350 10.967 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.802 10.247 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.604 9.766 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.171 10.544 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.120 12.074 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.807 12.680 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.979 12.949 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.918 11.889 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.231 11.086 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.091 9.983 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.021 10.917 -6.426 1.00 0.00 H new ATOM 748 N ILE A 53 4.057 8.706 -3.549 1.00 0.00 N ATOM 749 CA ILE A 53 3.652 8.250 -2.226 1.00 0.00 C ATOM 750 C ILE A 53 3.342 6.763 -2.276 1.00 0.00 C ATOM 751 O ILE A 53 3.810 5.979 -1.451 1.00 0.00 O ATOM 752 CB ILE A 53 2.393 9.002 -1.738 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.641 10.514 -1.705 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.968 8.495 -0.369 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.674 10.943 -0.689 1.00 0.00 C ATOM 0 H ILE A 53 3.383 9.323 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 53 4.471 8.448 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 53 1.584 8.809 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.961 10.841 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.701 11.022 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.080 9.035 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.743 7.430 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.775 8.656 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.793 12.026 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.348 10.648 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.627 10.465 -0.915 1.00 0.00 H new ATOM 766 N LEU A 54 2.558 6.392 -3.279 1.00 0.00 N ATOM 767 CA LEU A 54 2.179 5.006 -3.497 1.00 0.00 C ATOM 768 C LEU A 54 3.414 4.150 -3.765 1.00 0.00 C ATOM 769 O LEU A 54 3.459 2.976 -3.404 1.00 0.00 O ATOM 770 CB LEU A 54 1.205 4.923 -4.674 1.00 0.00 C ATOM 771 CG LEU A 54 -0.055 5.782 -4.530 1.00 0.00 C ATOM 772 CD1 LEU A 54 -0.871 5.757 -5.810 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.893 5.307 -3.354 1.00 0.00 C ATOM 0 H LEU A 54 2.169 7.042 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 54 1.690 4.624 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.729 5.222 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.905 3.883 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 54 0.253 6.810 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.761 6.373 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.271 6.148 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.167 4.732 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.784 5.929 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.189 4.270 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.308 5.381 -2.437 1.00 0.00 H new ATOM 784 N GLU A 55 4.413 4.761 -4.389 1.00 0.00 N ATOM 785 CA GLU A 55 5.676 4.096 -4.674 1.00 0.00 C ATOM 786 C GLU A 55 6.329 3.600 -3.389 1.00 0.00 C ATOM 787 O GLU A 55 6.737 2.445 -3.302 1.00 0.00 O ATOM 788 CB GLU A 55 6.614 5.054 -5.406 1.00 0.00 C ATOM 789 CG GLU A 55 7.945 4.441 -5.797 1.00 0.00 C ATOM 790 CD GLU A 55 8.831 5.424 -6.530 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.734 5.499 -7.772 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.615 6.136 -5.869 1.00 0.00 O ATOM 0 H GLU A 55 4.370 5.728 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 55 5.477 3.234 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.116 5.417 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.798 5.921 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.458 4.089 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.771 3.570 -6.429 1.00 0.00 H new ATOM 797 N ALA A 56 6.402 4.471 -2.390 1.00 0.00 N ATOM 798 CA ALA A 56 7.019 4.125 -1.115 1.00 0.00 C ATOM 799 C ALA A 56 6.299 2.953 -0.455 1.00 0.00 C ATOM 800 O ALA A 56 6.926 2.091 0.161 1.00 0.00 O ATOM 801 CB ALA A 56 7.024 5.327 -0.188 1.00 0.00 C ATOM 0 H ALA A 56 6.041 5.424 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 56 8.048 3.824 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.488 5.054 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.589 6.138 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.999 5.653 -0.010 1.00 0.00 H new ATOM 807 N ILE A 57 4.980 2.923 -0.602 1.00 0.00 N ATOM 808 CA ILE A 57 4.165 1.854 -0.033 1.00 0.00 C ATOM 809 C ILE A 57 4.382 0.556 -0.803 1.00 0.00 C ATOM 810 O ILE A 57 4.464 -0.526 -0.222 1.00 0.00 O ATOM 811 CB ILE A 57 2.665 2.220 -0.066 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.432 3.570 0.616 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.834 1.132 0.601 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.001 4.053 0.539 1.00 0.00 C ATOM 0 H ILE A 57 4.449 3.629 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 57 4.471 1.720 1.004 1.00 0.00 H new ATOM 0 HB ILE A 57 2.351 2.300 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.724 3.493 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.082 4.315 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.780 1.408 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.979 0.189 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.147 1.020 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.914 5.015 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.710 4.164 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.346 3.329 1.023 1.00 0.00 H new ATOM 825 N LEU A 58 4.483 0.676 -2.115 1.00 0.00 N ATOM 826 CA LEU A 58 4.693 -0.475 -2.977 1.00 0.00 C ATOM 827 C LEU A 58 6.089 -1.055 -2.736 1.00 0.00 C ATOM 828 O LEU A 58 6.272 -2.272 -2.712 1.00 0.00 O ATOM 829 CB LEU A 58 4.508 -0.049 -4.444 1.00 0.00 C ATOM 830 CG LEU A 58 4.090 -1.149 -5.432 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.248 -2.076 -5.754 1.00 0.00 C ATOM 832 CD2 LEU A 58 2.916 -1.942 -4.882 1.00 0.00 C ATOM 0 H LEU A 58 4.422 1.566 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 58 3.964 -1.252 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.758 0.742 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.445 0.385 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 58 3.783 -0.662 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.917 -2.842 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.060 -1.502 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.600 -2.551 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.634 -2.716 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.200 -2.405 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.070 -1.274 -4.718 1.00 0.00 H new ATOM 843 N LEU A 59 7.062 -0.174 -2.520 1.00 0.00 N ATOM 844 CA LEU A 59 8.442 -0.586 -2.275 1.00 0.00 C ATOM 845 C LEU A 59 8.560 -1.408 -0.998 1.00 0.00 C ATOM 846 O LEU A 59 9.188 -2.464 -0.996 1.00 0.00 O ATOM 847 CB LEU A 59 9.367 0.631 -2.190 1.00 0.00 C ATOM 848 CG LEU A 59 9.581 1.383 -3.505 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.476 2.596 -3.286 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.177 0.461 -4.559 1.00 0.00 C ATOM 0 H LEU A 59 6.919 0.836 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 59 8.747 -1.208 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.960 1.326 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.337 0.304 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 59 8.612 1.731 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.618 3.119 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.009 3.268 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.443 2.270 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.322 1.015 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.137 0.082 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.500 -0.374 -4.737 1.00 0.00 H new ATOM 861 N VAL A 60 7.959 -0.930 0.087 1.00 0.00 N ATOM 862 CA VAL A 60 8.023 -1.648 1.358 1.00 0.00 C ATOM 863 C VAL A 60 7.270 -2.979 1.268 1.00 0.00 C ATOM 864 O VAL A 60 7.659 -3.965 1.896 1.00 0.00 O ATOM 865 CB VAL A 60 7.501 -0.791 2.544 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.069 -0.347 2.320 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.633 -1.538 3.866 1.00 0.00 C ATOM 0 H VAL A 60 7.428 -0.060 0.114 1.00 0.00 H new ATOM 0 HA VAL A 60 9.074 -1.858 1.557 1.00 0.00 H new ATOM 0 HB VAL A 60 8.124 0.102 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.736 0.250 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.012 0.251 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.428 -1.223 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.259 -0.912 4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.053 -2.460 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.681 -1.777 4.046 1.00 0.00 H new ATOM 877 N TRP A 61 6.218 -3.015 0.453 1.00 0.00 N ATOM 878 CA TRP A 61 5.497 -4.257 0.192 1.00 0.00 C ATOM 879 C TRP A 61 6.424 -5.231 -0.539 1.00 0.00 C ATOM 880 O TRP A 61 6.559 -6.394 -0.148 1.00 0.00 O ATOM 881 CB TRP A 61 4.244 -3.978 -0.647 1.00 0.00 C ATOM 882 CG TRP A 61 3.258 -5.116 -0.696 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.441 -6.396 -0.248 1.00 0.00 C ATOM 884 CD2 TRP A 61 1.929 -5.069 -1.230 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.309 -7.141 -0.470 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.367 -6.349 -1.069 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.159 -4.066 -1.826 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.071 -6.650 -1.482 1.00 0.00 C ATOM 889 CZ3 TRP A 61 -0.126 -4.367 -2.235 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.660 -5.649 -2.061 1.00 0.00 C ATOM 0 H TRP A 61 5.847 -2.200 -0.036 1.00 0.00 H new ATOM 0 HA TRP A 61 5.181 -4.700 1.137 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.743 -3.097 -0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.550 -3.735 -1.665 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.345 -6.767 0.213 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.190 -8.125 -0.228 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.561 -3.073 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.342 -7.639 -1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.729 -3.599 -2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.668 -5.852 -2.390 1.00 0.00 H new ATOM 900 N LEU A 62 7.082 -4.731 -1.584 1.00 0.00 N ATOM 901 CA LEU A 62 8.047 -5.520 -2.348 1.00 0.00 C ATOM 902 C LEU A 62 9.155 -6.047 -1.454 1.00 0.00 C ATOM 903 O LEU A 62 9.474 -7.224 -1.488 1.00 0.00 O ATOM 904 CB LEU A 62 8.676 -4.682 -3.467 1.00 0.00 C ATOM 905 CG LEU A 62 7.748 -4.321 -4.620 1.00 0.00 C ATOM 906 CD1 LEU A 62 8.464 -3.405 -5.602 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.258 -5.577 -5.323 1.00 0.00 C ATOM 0 H LEU A 62 6.963 -3.776 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 62 7.502 -6.359 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.062 -3.760 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.530 -5.227 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 62 6.882 -3.794 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.791 -3.154 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.770 -2.492 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.344 -3.912 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.596 -5.300 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.111 -6.131 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.715 -6.202 -4.614 1.00 0.00 H new ATOM 918 N ASP A 63 9.719 -5.165 -0.646 1.00 0.00 N ATOM 919 CA ASP A 63 10.888 -5.483 0.170 1.00 0.00 C ATOM 920 C ASP A 63 10.632 -6.681 1.088 1.00 0.00 C ATOM 921 O ASP A 63 11.502 -7.536 1.263 1.00 0.00 O ATOM 922 CB ASP A 63 11.286 -4.261 0.999 1.00 0.00 C ATOM 923 CG ASP A 63 12.712 -4.340 1.498 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.636 -4.130 0.685 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.919 -4.584 2.703 1.00 0.00 O ATOM 0 H ASP A 63 9.383 -4.208 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 63 11.703 -5.753 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.165 -3.361 0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.611 -4.168 1.850 1.00 0.00 H new ATOM 929 N GLU A 64 9.431 -6.748 1.648 1.00 0.00 N ATOM 930 CA GLU A 64 9.069 -7.817 2.574 1.00 0.00 C ATOM 931 C GLU A 64 8.832 -9.144 1.845 1.00 0.00 C ATOM 932 O GLU A 64 9.244 -10.204 2.316 1.00 0.00 O ATOM 933 CB GLU A 64 7.809 -7.430 3.354 1.00 0.00 C ATOM 934 CG GLU A 64 7.999 -6.255 4.303 1.00 0.00 C ATOM 935 CD GLU A 64 8.899 -6.586 5.476 1.00 0.00 C ATOM 936 OE1 GLU A 64 8.419 -7.227 6.435 1.00 0.00 O ATOM 937 OE2 GLU A 64 10.088 -6.201 5.453 1.00 0.00 O ATOM 0 H GLU A 64 8.687 -6.072 1.477 1.00 0.00 H new ATOM 0 HA GLU A 64 9.904 -7.953 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.017 -7.186 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.470 -8.294 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.422 -5.414 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.026 -5.935 4.676 1.00 0.00 H new ATOM 942 N ALA A 65 8.160 -9.082 0.703 1.00 0.00 N ATOM 943 CA ALA A 65 7.781 -10.293 -0.025 1.00 0.00 C ATOM 944 C ALA A 65 8.844 -10.722 -1.038 1.00 0.00 C ATOM 945 O ALA A 65 9.252 -11.883 -1.075 1.00 0.00 O ATOM 946 CB ALA A 65 6.445 -10.085 -0.723 1.00 0.00 C ATOM 0 H ALA A 65 7.866 -8.212 0.260 1.00 0.00 H new ATOM 0 HA ALA A 65 7.692 -11.096 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.171 -10.992 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.679 -9.858 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.527 -9.256 -1.426 1.00 0.00 H new ATOM 952 N GLU A 66 9.285 -9.774 -1.849 1.00 0.00 N ATOM 953 CA GLU A 66 10.205 -10.038 -2.946 1.00 0.00 C ATOM 954 C GLU A 66 11.650 -9.889 -2.476 1.00 0.00 C ATOM 955 O GLU A 66 12.295 -10.924 -2.202 1.00 0.00 O ATOM 956 CB GLU A 66 9.909 -9.071 -4.103 1.00 0.00 C ATOM 957 CG GLU A 66 10.811 -9.235 -5.315 1.00 0.00 C ATOM 958 CD GLU A 66 10.720 -10.609 -5.939 1.00 0.00 C ATOM 959 OE1 GLU A 66 9.594 -11.100 -6.153 1.00 0.00 O ATOM 960 OE2 GLU A 66 11.778 -11.194 -6.252 1.00 0.00 O ATOM 961 OXT GLU A 66 12.134 -8.745 -2.373 1.00 0.00 O ATOM 0 H GLU A 66 9.014 -8.794 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 66 10.068 -11.062 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.874 -9.207 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.999 -8.049 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.547 -8.485 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.843 -9.043 -5.021 1.00 0.00 H new TER 966 GLU A 66