USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.0762 K(o=0.076,f=-0.51) USER MOD Single : A 19 CYS SG : rot 35:sc= 0.3 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 2.16 (180deg=2.11) USER MOD Single : A 31 CYS SG : rot -26:sc=0.000161 USER MOD Single : A 33 GLN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0496 K(o=-0.05,f=-1.8!) USER MOD Single : A 37 ASN : amide:sc=-0.00285 K(o=-0.0028,f=-1.8) USER MOD Single : A 41 MET CE :methyl 141:sc= -0.0237 (180deg=-0.317) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.934 USER MOD Single : A 51 SER OG : rot 76:sc= 0.664 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.432 K(o=0.43,f=-1.8!) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0.918 (180deg=0.506) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00731 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -78:sc= 0.953 USER MOD Single : A 67 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 0.752 (180deg=0.568) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= 1.18 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.915 -4.037 1.338 1.00 0.00 N ATOM 2 CA MET A 1 2.160 -2.587 1.131 1.00 0.00 C ATOM 3 C MET A 1 3.495 -2.213 1.776 1.00 0.00 C ATOM 4 O MET A 1 3.566 -1.939 2.974 1.00 0.00 O ATOM 5 CB MET A 1 1.013 -1.706 1.678 1.00 0.00 C ATOM 6 CG MET A 1 -0.311 -1.876 0.909 1.00 0.00 C ATOM 7 SD MET A 1 -0.248 -1.521 -0.869 1.00 0.00 S ATOM 8 CE MET A 1 -0.063 0.284 -0.844 1.00 0.00 C ATOM 0 H1 MET A 1 1.008 -4.302 0.902 1.00 0.00 H new ATOM 0 H2 MET A 1 2.683 -4.585 0.900 1.00 0.00 H new ATOM 0 H3 MET A 1 1.882 -4.241 2.357 1.00 0.00 H new ATOM 0 HA MET A 1 2.199 -2.397 0.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.848 -1.948 2.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.317 -0.660 1.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.657 -2.901 1.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.058 -1.225 1.363 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.009 0.658 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.919 0.731 -0.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.851 0.549 -0.312 1.00 0.00 H new ATOM 18 N SER A 2 4.583 -2.268 1.006 1.00 0.00 N ATOM 19 CA SER A 2 5.944 -2.082 1.540 1.00 0.00 C ATOM 20 C SER A 2 6.347 -0.597 1.652 1.00 0.00 C ATOM 21 O SER A 2 5.956 0.227 0.818 1.00 0.00 O ATOM 22 CB SER A 2 6.961 -2.829 0.664 1.00 0.00 C ATOM 23 OG SER A 2 6.636 -4.207 0.573 1.00 0.00 O ATOM 0 H SER A 2 4.553 -2.441 0.001 1.00 0.00 H new ATOM 0 HA SER A 2 5.944 -2.493 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.980 -2.389 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.961 -2.714 1.082 1.00 0.00 H new ATOM 0 HG SER A 2 7.296 -4.662 0.009 1.00 0.00 H new ATOM 29 N ALA A 3 7.154 -0.244 2.665 1.00 0.00 N ATOM 30 CA ALA A 3 7.600 1.138 2.898 1.00 0.00 C ATOM 31 C ALA A 3 8.662 1.609 1.887 1.00 0.00 C ATOM 32 O ALA A 3 8.571 2.725 1.382 1.00 0.00 O ATOM 33 CB ALA A 3 8.134 1.225 4.336 1.00 0.00 C ATOM 0 H ALA A 3 7.516 -0.911 3.347 1.00 0.00 H new ATOM 0 HA ALA A 3 6.750 1.806 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.473 2.241 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.341 0.962 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.968 0.534 4.457 1.00 0.00 H new ATOM 39 N SER A 4 9.655 0.753 1.608 1.00 0.00 N ATOM 40 CA SER A 4 10.829 0.954 0.728 1.00 0.00 C ATOM 41 C SER A 4 11.989 1.703 1.424 1.00 0.00 C ATOM 42 O SER A 4 11.793 2.626 2.226 1.00 0.00 O ATOM 43 CB SER A 4 10.484 1.647 -0.601 1.00 0.00 C ATOM 44 OG SER A 4 11.591 1.594 -1.494 1.00 0.00 O ATOM 0 H SER A 4 9.664 -0.178 2.024 1.00 0.00 H new ATOM 0 HA SER A 4 11.167 -0.057 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.619 1.164 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.208 2.685 -0.416 1.00 0.00 H new ATOM 0 HG SER A 4 11.354 2.038 -2.335 1.00 0.00 H new ATOM 50 N ALA A 5 13.227 1.352 1.050 1.00 0.00 N ATOM 51 CA ALA A 5 14.449 2.038 1.481 1.00 0.00 C ATOM 52 C ALA A 5 14.444 3.527 1.090 1.00 0.00 C ATOM 53 O ALA A 5 15.010 4.355 1.808 1.00 0.00 O ATOM 54 CB ALA A 5 15.650 1.299 0.872 1.00 0.00 C ATOM 0 H ALA A 5 13.409 0.566 0.426 1.00 0.00 H new ATOM 0 HA ALA A 5 14.512 2.017 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.573 1.791 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.656 0.266 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.574 1.315 -0.215 1.00 0.00 H new ATOM 60 N GLN A 6 13.770 3.881 -0.012 1.00 0.00 N ATOM 61 CA GLN A 6 13.617 5.260 -0.490 1.00 0.00 C ATOM 62 C GLN A 6 12.795 6.137 0.474 1.00 0.00 C ATOM 63 O GLN A 6 12.980 7.358 0.497 1.00 0.00 O ATOM 64 CB GLN A 6 12.947 5.237 -1.879 1.00 0.00 C ATOM 65 CG GLN A 6 13.797 4.519 -2.946 1.00 0.00 C ATOM 66 CD GLN A 6 13.131 4.566 -4.322 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.499 3.617 -4.774 1.00 0.00 O ATOM 68 NE2 GLN A 6 13.230 5.670 -5.038 1.00 0.00 N ATOM 0 H GLN A 6 13.305 3.199 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 6 14.611 5.704 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.979 4.743 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.757 6.261 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.781 4.984 -3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.951 3.481 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.752 6.468 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.784 5.726 -5.954 1.00 0.00 H new ATOM 77 N GLN A 7 11.905 5.543 1.278 1.00 0.00 N ATOM 78 CA GLN A 7 11.144 6.245 2.316 1.00 0.00 C ATOM 79 C GLN A 7 11.880 6.218 3.664 1.00 0.00 C ATOM 80 O GLN A 7 11.943 7.237 4.354 1.00 0.00 O ATOM 81 CB GLN A 7 9.749 5.604 2.418 1.00 0.00 C ATOM 82 CG GLN A 7 8.769 6.403 3.286 1.00 0.00 C ATOM 83 CD GLN A 7 7.328 5.931 3.073 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.668 6.289 2.102 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.762 5.119 3.944 1.00 0.00 N ATOM 0 H GLN A 7 11.691 4.547 1.224 1.00 0.00 H new ATOM 0 HA GLN A 7 11.039 7.295 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.332 5.499 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.849 4.599 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.038 6.295 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.847 7.463 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.284 4.804 4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.802 4.806 3.800 1.00 0.00 H new ATOM 94 N LEU A 8 12.481 5.079 4.028 1.00 0.00 N ATOM 95 CA LEU A 8 13.151 4.889 5.320 1.00 0.00 C ATOM 96 C LEU A 8 14.418 5.742 5.452 1.00 0.00 C ATOM 97 O LEU A 8 14.627 6.375 6.485 1.00 0.00 O ATOM 98 CB LEU A 8 13.412 3.375 5.488 1.00 0.00 C ATOM 99 CG LEU A 8 13.606 2.931 6.956 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.129 1.484 7.123 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.063 3.024 7.429 1.00 0.00 C ATOM 0 H LEU A 8 12.516 4.255 3.428 1.00 0.00 H new ATOM 0 HA LEU A 8 12.513 5.237 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.576 2.823 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.300 3.104 4.917 1.00 0.00 H new ATOM 0 HG LEU A 8 13.018 3.615 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.267 1.173 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.073 1.416 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.708 0.832 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.130 2.698 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.689 2.384 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.406 4.056 7.350 1.00 0.00 H new ATOM 113 N ALA A 9 15.238 5.808 4.399 1.00 0.00 N ATOM 114 CA ALA A 9 16.508 6.540 4.391 1.00 0.00 C ATOM 115 C ALA A 9 16.349 8.054 4.627 1.00 0.00 C ATOM 116 O ALA A 9 17.278 8.689 5.124 1.00 0.00 O ATOM 117 CB ALA A 9 17.209 6.269 3.055 1.00 0.00 C ATOM 0 H ALA A 9 15.034 5.346 3.513 1.00 0.00 H new ATOM 0 HA ALA A 9 17.108 6.181 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.158 6.805 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.393 5.200 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.576 6.610 2.236 1.00 0.00 H new ATOM 123 N GLU A 10 15.193 8.636 4.299 1.00 0.00 N ATOM 124 CA GLU A 10 14.919 10.071 4.456 1.00 0.00 C ATOM 125 C GLU A 10 14.849 10.508 5.933 1.00 0.00 C ATOM 126 O GLU A 10 15.230 11.633 6.266 1.00 0.00 O ATOM 127 CB GLU A 10 13.620 10.409 3.705 1.00 0.00 C ATOM 128 CG GLU A 10 13.400 11.920 3.559 1.00 0.00 C ATOM 129 CD GLU A 10 12.204 12.229 2.647 1.00 0.00 C ATOM 130 OE1 GLU A 10 12.396 12.370 1.417 1.00 0.00 O ATOM 131 OE2 GLU A 10 11.059 12.347 3.149 1.00 0.00 O ATOM 0 H GLU A 10 14.406 8.117 3.910 1.00 0.00 H new ATOM 0 HA GLU A 10 15.750 10.631 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.647 9.952 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.774 9.972 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.233 12.361 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.299 12.382 3.151 1.00 0.00 H new ATOM 138 N GLU A 11 14.417 9.619 6.836 1.00 0.00 N ATOM 139 CA GLU A 11 14.282 9.918 8.266 1.00 0.00 C ATOM 140 C GLU A 11 15.638 10.035 8.986 1.00 0.00 C ATOM 141 O GLU A 11 15.750 10.770 9.968 1.00 0.00 O ATOM 142 CB GLU A 11 13.423 8.832 8.944 1.00 0.00 C ATOM 143 CG GLU A 11 12.002 8.703 8.379 1.00 0.00 C ATOM 144 CD GLU A 11 11.199 10.007 8.502 1.00 0.00 C ATOM 145 OE1 GLU A 11 10.825 10.389 9.634 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.924 10.661 7.468 1.00 0.00 O ATOM 0 H GLU A 11 14.150 8.665 6.592 1.00 0.00 H new ATOM 0 HA GLU A 11 13.796 10.891 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.929 7.872 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.359 9.050 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.057 8.411 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.477 7.906 8.905 1.00 0.00 H new ATOM 153 N LEU A 12 16.679 9.347 8.496 1.00 0.00 N ATOM 154 CA LEU A 12 18.000 9.256 9.133 1.00 0.00 C ATOM 155 C LEU A 12 18.649 10.631 9.358 1.00 0.00 C ATOM 156 O LEU A 12 19.279 10.848 10.391 1.00 0.00 O ATOM 157 CB LEU A 12 18.898 8.353 8.270 1.00 0.00 C ATOM 158 CG LEU A 12 18.365 6.922 8.044 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.320 6.153 7.125 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.194 6.136 9.351 1.00 0.00 C ATOM 0 H LEU A 12 16.624 8.824 7.622 1.00 0.00 H new ATOM 0 HA LEU A 12 17.875 8.823 10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.039 8.829 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.880 8.288 8.739 1.00 0.00 H new ATOM 0 HG LEU A 12 17.381 7.022 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.940 5.143 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.394 6.666 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.306 6.102 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.817 5.138 9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.157 6.056 9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.487 6.655 9.998 1.00 0.00 H new ATOM 172 N GLN A 13 18.443 11.578 8.438 1.00 0.00 N ATOM 173 CA GLN A 13 18.985 12.945 8.514 1.00 0.00 C ATOM 174 C GLN A 13 18.367 13.777 9.654 1.00 0.00 C ATOM 175 O GLN A 13 18.993 14.729 10.123 1.00 0.00 O ATOM 176 CB GLN A 13 18.780 13.678 7.168 1.00 0.00 C ATOM 177 CG GLN A 13 19.686 13.203 6.016 1.00 0.00 C ATOM 178 CD GLN A 13 19.465 11.753 5.586 1.00 0.00 C ATOM 179 OE1 GLN A 13 20.377 10.935 5.562 1.00 0.00 O ATOM 180 NE2 GLN A 13 18.248 11.362 5.269 1.00 0.00 N ATOM 0 H GLN A 13 17.884 11.416 7.601 1.00 0.00 H new ATOM 0 HA GLN A 13 20.049 12.844 8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 13 17.740 13.560 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 13 18.947 14.744 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.526 13.852 5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.727 13.324 6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.478 12.030 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.076 10.391 5.009 1.00 0.00 H new ATOM 189 N ILE A 14 17.162 13.430 10.127 1.00 0.00 N ATOM 190 CA ILE A 14 16.471 14.134 11.226 1.00 0.00 C ATOM 191 C ILE A 14 17.120 13.779 12.572 1.00 0.00 C ATOM 192 O ILE A 14 17.315 14.643 13.428 1.00 0.00 O ATOM 193 CB ILE A 14 14.958 13.782 11.213 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.319 14.080 9.832 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.220 14.560 12.322 1.00 0.00 C ATOM 196 CD1 ILE A 14 12.841 13.685 9.722 1.00 0.00 C ATOM 0 H ILE A 14 16.630 12.643 9.755 1.00 0.00 H new ATOM 0 HA ILE A 14 16.567 15.210 11.083 1.00 0.00 H new ATOM 0 HB ILE A 14 14.861 12.713 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.415 15.145 9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.882 13.552 9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.161 14.305 12.302 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.639 14.295 13.293 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.338 15.631 12.156 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.473 13.927 8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.737 12.614 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.262 14.232 10.466 1.00 0.00 H new ATOM 208 N PHE A 15 17.501 12.508 12.734 1.00 0.00 N ATOM 209 CA PHE A 15 18.121 11.952 13.941 1.00 0.00 C ATOM 210 C PHE A 15 19.659 12.051 13.946 1.00 0.00 C ATOM 211 O PHE A 15 20.285 11.761 14.972 1.00 0.00 O ATOM 212 CB PHE A 15 17.659 10.494 14.064 1.00 0.00 C ATOM 213 CG PHE A 15 16.155 10.328 14.217 1.00 0.00 C ATOM 214 CD1 PHE A 15 15.527 10.685 15.427 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.379 9.818 13.161 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.136 10.528 15.576 1.00 0.00 C ATOM 217 CE2 PHE A 15 13.987 9.668 13.304 1.00 0.00 C ATOM 218 CZ PHE A 15 13.365 10.016 14.518 1.00 0.00 C ATOM 0 H PHE A 15 17.381 11.811 11.999 1.00 0.00 H new ATOM 0 HA PHE A 15 17.802 12.541 14.801 1.00 0.00 H new ATOM 0 HB2 PHE A 15 17.986 9.945 13.181 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.153 10.039 14.923 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.115 11.080 16.242 1.00 0.00 H new ATOM 0 HD2 PHE A 15 15.855 9.539 12.233 1.00 0.00 H new ATOM 0 HE1 PHE A 15 13.660 10.802 16.506 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.397 9.287 12.484 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.299 9.890 14.636 1.00 0.00 H new ATOM 228 N GLY A 16 20.286 12.424 12.820 1.00 0.00 N ATOM 229 CA GLY A 16 21.744 12.467 12.659 1.00 0.00 C ATOM 230 C GLY A 16 22.381 11.098 12.380 1.00 0.00 C ATOM 231 O GLY A 16 23.585 10.934 12.593 1.00 0.00 O ATOM 0 H GLY A 16 19.782 12.709 11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.989 13.144 11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.187 12.885 13.563 1.00 0.00 H new ATOM 235 N LEU A 17 21.586 10.118 11.941 1.00 0.00 N ATOM 236 CA LEU A 17 22.011 8.760 11.579 1.00 0.00 C ATOM 237 C LEU A 17 22.592 8.699 10.154 1.00 0.00 C ATOM 238 O LEU A 17 22.371 9.590 9.332 1.00 0.00 O ATOM 239 CB LEU A 17 20.811 7.803 11.719 1.00 0.00 C ATOM 240 CG LEU A 17 20.242 7.670 13.147 1.00 0.00 C ATOM 241 CD1 LEU A 17 18.941 6.859 13.090 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.236 6.983 14.100 1.00 0.00 C ATOM 0 H LEU A 17 20.582 10.255 11.822 1.00 0.00 H new ATOM 0 HA LEU A 17 22.808 8.455 12.257 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.015 8.145 11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.112 6.815 11.371 1.00 0.00 H new ATOM 0 HG LEU A 17 20.054 8.672 13.534 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.530 6.759 14.095 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.220 7.372 12.453 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.147 5.869 12.682 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.795 6.910 15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.464 5.984 13.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.154 7.568 14.152 1.00 0.00 H new ATOM 254 N ASP A 18 23.311 7.610 9.861 1.00 0.00 N ATOM 255 CA ASP A 18 23.909 7.307 8.554 1.00 0.00 C ATOM 256 C ASP A 18 24.148 5.793 8.402 1.00 0.00 C ATOM 257 O ASP A 18 24.625 5.136 9.329 1.00 0.00 O ATOM 258 CB ASP A 18 25.228 8.083 8.385 1.00 0.00 C ATOM 259 CG ASP A 18 25.886 7.809 7.024 1.00 0.00 C ATOM 260 OD1 ASP A 18 25.245 8.076 5.978 1.00 0.00 O ATOM 261 OD2 ASP A 18 27.046 7.328 7.005 1.00 0.00 O ATOM 0 H ASP A 18 23.500 6.886 10.554 1.00 0.00 H new ATOM 0 HA ASP A 18 23.216 7.620 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.036 9.151 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.917 7.806 9.183 1.00 0.00 H new ATOM 266 N CYS A 19 23.813 5.259 7.222 1.00 0.00 N ATOM 267 CA CYS A 19 23.915 3.842 6.839 1.00 0.00 C ATOM 268 C CYS A 19 24.044 3.696 5.311 1.00 0.00 C ATOM 269 O CYS A 19 23.588 4.556 4.553 1.00 0.00 O ATOM 270 CB CYS A 19 22.667 3.085 7.336 1.00 0.00 C ATOM 271 SG CYS A 19 22.920 2.464 9.020 1.00 0.00 S ATOM 0 H CYS A 19 23.443 5.834 6.465 1.00 0.00 H new ATOM 0 HA CYS A 19 24.808 3.418 7.299 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.802 3.747 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.449 2.254 6.666 1.00 0.00 H new ATOM 0 HG CYS A 19 23.647 3.309 9.689 1.00 0.00 H new ATOM 277 N GLU A 20 24.617 2.576 4.864 1.00 0.00 N ATOM 278 CA GLU A 20 24.540 2.111 3.476 1.00 0.00 C ATOM 279 C GLU A 20 23.212 1.390 3.193 1.00 0.00 C ATOM 280 O GLU A 20 22.526 0.939 4.114 1.00 0.00 O ATOM 281 CB GLU A 20 25.739 1.217 3.117 1.00 0.00 C ATOM 282 CG GLU A 20 25.863 -0.083 3.924 1.00 0.00 C ATOM 283 CD GLU A 20 27.120 -0.857 3.501 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.120 -1.472 2.405 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.123 -0.846 4.256 1.00 0.00 O ATOM 0 H GLU A 20 25.157 1.955 5.467 1.00 0.00 H new ATOM 0 HA GLU A 20 24.578 2.994 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.675 0.962 2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.653 1.795 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.910 0.145 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.978 -0.701 3.769 1.00 0.00 H new ATOM 292 N GLU A 21 22.873 1.226 1.909 1.00 0.00 N ATOM 293 CA GLU A 21 21.652 0.539 1.463 1.00 0.00 C ATOM 294 C GLU A 21 21.509 -0.863 2.081 1.00 0.00 C ATOM 295 O GLU A 21 20.419 -1.243 2.510 1.00 0.00 O ATOM 296 CB GLU A 21 21.661 0.467 -0.076 1.00 0.00 C ATOM 297 CG GLU A 21 20.352 -0.082 -0.659 1.00 0.00 C ATOM 298 CD GLU A 21 20.386 -0.046 -2.196 1.00 0.00 C ATOM 299 OE1 GLU A 21 20.984 -0.954 -2.820 1.00 0.00 O ATOM 300 OE2 GLU A 21 19.805 0.892 -2.792 1.00 0.00 O ATOM 0 H GLU A 21 23.446 1.571 1.139 1.00 0.00 H new ATOM 0 HA GLU A 21 20.788 1.109 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.842 1.463 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.489 -0.164 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.197 -1.105 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.510 0.507 -0.295 1.00 0.00 H new ATOM 307 N ALA A 22 22.616 -1.610 2.203 1.00 0.00 N ATOM 308 CA ALA A 22 22.618 -2.956 2.778 1.00 0.00 C ATOM 309 C ALA A 22 22.252 -2.989 4.276 1.00 0.00 C ATOM 310 O ALA A 22 21.729 -3.999 4.752 1.00 0.00 O ATOM 311 CB ALA A 22 23.993 -3.590 2.527 1.00 0.00 C ATOM 0 H ALA A 22 23.538 -1.293 1.903 1.00 0.00 H new ATOM 0 HA ALA A 22 21.836 -3.533 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 22 24.013 -4.595 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.179 -3.643 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.765 -2.983 2.999 1.00 0.00 H new ATOM 317 N LEU A 23 22.497 -1.892 5.017 1.00 0.00 N ATOM 318 CA LEU A 23 22.062 -1.733 6.414 1.00 0.00 C ATOM 319 C LEU A 23 20.657 -1.131 6.506 1.00 0.00 C ATOM 320 O LEU A 23 19.887 -1.534 7.373 1.00 0.00 O ATOM 321 CB LEU A 23 23.089 -0.879 7.185 1.00 0.00 C ATOM 322 CG LEU A 23 24.515 -1.465 7.261 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.410 -0.501 8.057 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.558 -2.864 7.900 1.00 0.00 C ATOM 0 H LEU A 23 23.007 -1.085 4.658 1.00 0.00 H new ATOM 0 HA LEU A 23 22.010 -2.721 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 23 23.143 0.104 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.722 -0.729 8.200 1.00 0.00 H new ATOM 0 HG LEU A 23 24.878 -1.578 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.420 -0.907 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.437 0.467 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 23 25.009 -0.379 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.587 -3.221 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.168 -2.812 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.949 -3.551 7.312 1.00 0.00 H new ATOM 336 N ILE A 24 20.287 -0.219 5.598 1.00 0.00 N ATOM 337 CA ILE A 24 18.929 0.359 5.505 1.00 0.00 C ATOM 338 C ILE A 24 17.889 -0.739 5.219 1.00 0.00 C ATOM 339 O ILE A 24 16.832 -0.768 5.858 1.00 0.00 O ATOM 340 CB ILE A 24 18.919 1.488 4.447 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.750 2.685 4.970 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.491 1.961 4.099 1.00 0.00 C ATOM 343 CD1 ILE A 24 20.142 3.700 3.893 1.00 0.00 C ATOM 0 H ILE A 24 20.928 0.147 4.894 1.00 0.00 H new ATOM 0 HA ILE A 24 18.649 0.803 6.461 1.00 0.00 H new ATOM 0 HB ILE A 24 19.357 1.086 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.179 3.197 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.656 2.305 5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.542 2.754 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.917 1.124 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.004 2.340 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.721 4.505 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.742 3.206 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.242 4.113 3.437 1.00 0.00 H new ATOM 355 N GLU A 25 18.200 -1.681 4.322 1.00 0.00 N ATOM 356 CA GLU A 25 17.334 -2.814 3.996 1.00 0.00 C ATOM 357 C GLU A 25 16.948 -3.656 5.221 1.00 0.00 C ATOM 358 O GLU A 25 15.827 -4.167 5.254 1.00 0.00 O ATOM 359 CB GLU A 25 17.988 -3.714 2.930 1.00 0.00 C ATOM 360 CG GLU A 25 17.811 -3.153 1.513 1.00 0.00 C ATOM 361 CD GLU A 25 18.370 -4.117 0.458 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.609 -4.276 0.364 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.569 -4.731 -0.289 1.00 0.00 O ATOM 0 H GLU A 25 19.074 -1.676 3.796 1.00 0.00 H new ATOM 0 HA GLU A 25 16.414 -2.384 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.051 -3.819 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.552 -4.712 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.753 -2.973 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.317 -2.191 1.434 1.00 0.00 H new ATOM 370 N LYS A 26 17.784 -3.756 6.266 1.00 0.00 N ATOM 371 CA LYS A 26 17.386 -4.429 7.511 1.00 0.00 C ATOM 372 C LYS A 26 16.134 -3.784 8.112 1.00 0.00 C ATOM 373 O LYS A 26 15.149 -4.478 8.353 1.00 0.00 O ATOM 374 CB LYS A 26 18.554 -4.474 8.518 1.00 0.00 C ATOM 375 CG LYS A 26 18.164 -5.104 9.874 1.00 0.00 C ATOM 376 CD LYS A 26 17.550 -6.512 9.810 1.00 0.00 C ATOM 377 CE LYS A 26 18.509 -7.525 9.177 1.00 0.00 C ATOM 378 NZ LYS A 26 17.867 -8.850 9.015 1.00 0.00 N ATOM 0 H LYS A 26 18.733 -3.382 6.274 1.00 0.00 H new ATOM 0 HA LYS A 26 17.131 -5.461 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.377 -5.041 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.919 -3.461 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.054 -5.145 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.454 -4.442 10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.288 -6.840 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.625 -6.479 9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.839 -7.158 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.399 -7.624 9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.571 -9.538 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.484 -9.164 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.095 -8.779 8.322 1.00 0.00 H new ATOM 392 N LEU A 27 16.126 -2.463 8.310 1.00 0.00 N ATOM 393 CA LEU A 27 14.980 -1.762 8.895 1.00 0.00 C ATOM 394 C LEU A 27 13.749 -1.843 7.981 1.00 0.00 C ATOM 395 O LEU A 27 12.631 -1.925 8.493 1.00 0.00 O ATOM 396 CB LEU A 27 15.338 -0.304 9.254 1.00 0.00 C ATOM 397 CG LEU A 27 16.505 -0.056 10.234 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.484 -0.984 11.461 1.00 0.00 C ATOM 399 CD2 LEU A 27 17.869 -0.132 9.536 1.00 0.00 C ATOM 0 H LEU A 27 16.908 -1.853 8.071 1.00 0.00 H new ATOM 0 HA LEU A 27 14.721 -2.267 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.566 0.220 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.447 0.163 9.673 1.00 0.00 H new ATOM 0 HG LEU A 27 16.356 0.960 10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.332 -0.754 12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.557 -0.835 12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.548 -2.022 11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.660 0.049 10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.998 -1.121 9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.919 0.623 8.751 1.00 0.00 H new ATOM 411 N VAL A 28 13.947 -1.895 6.655 1.00 0.00 N ATOM 412 CA VAL A 28 12.855 -2.147 5.691 1.00 0.00 C ATOM 413 C VAL A 28 12.225 -3.537 5.900 1.00 0.00 C ATOM 414 O VAL A 28 10.998 -3.642 5.896 1.00 0.00 O ATOM 415 CB VAL A 28 13.288 -1.963 4.215 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.125 -2.212 3.235 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.820 -0.548 3.949 1.00 0.00 C ATOM 0 H VAL A 28 14.860 -1.765 6.219 1.00 0.00 H new ATOM 0 HA VAL A 28 12.100 -1.387 5.895 1.00 0.00 H new ATOM 0 HB VAL A 28 14.076 -2.698 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.475 -2.072 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.759 -3.231 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.318 -1.509 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.113 -0.460 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.041 0.181 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.685 -0.359 4.585 1.00 0.00 H new ATOM 427 N GLU A 29 13.011 -4.593 6.152 1.00 0.00 N ATOM 428 CA GLU A 29 12.448 -5.897 6.547 1.00 0.00 C ATOM 429 C GLU A 29 11.587 -5.768 7.818 1.00 0.00 C ATOM 430 O GLU A 29 10.463 -6.274 7.843 1.00 0.00 O ATOM 431 CB GLU A 29 13.524 -6.972 6.791 1.00 0.00 C ATOM 432 CG GLU A 29 14.347 -7.365 5.558 1.00 0.00 C ATOM 433 CD GLU A 29 15.296 -8.533 5.871 1.00 0.00 C ATOM 434 OE1 GLU A 29 16.066 -8.457 6.861 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.274 -9.546 5.127 1.00 0.00 O ATOM 0 H GLU A 29 14.029 -4.574 6.091 1.00 0.00 H new ATOM 0 HA GLU A 29 11.834 -6.215 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.205 -6.613 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.039 -7.866 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.677 -7.645 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.924 -6.507 5.214 1.00 0.00 H new ATOM 442 N LEU A 30 12.071 -5.067 8.855 1.00 0.00 N ATOM 443 CA LEU A 30 11.368 -4.965 10.136 1.00 0.00 C ATOM 444 C LEU A 30 10.034 -4.218 10.013 1.00 0.00 C ATOM 445 O LEU A 30 9.013 -4.739 10.453 1.00 0.00 O ATOM 446 CB LEU A 30 12.259 -4.311 11.213 1.00 0.00 C ATOM 447 CG LEU A 30 13.663 -4.914 11.397 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.394 -4.197 12.535 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.662 -6.429 11.638 1.00 0.00 C ATOM 0 H LEU A 30 12.955 -4.559 8.826 1.00 0.00 H new ATOM 0 HA LEU A 30 11.141 -5.985 10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.370 -3.254 10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.736 -4.365 12.168 1.00 0.00 H new ATOM 0 HG LEU A 30 14.188 -4.760 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.387 -4.629 12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.487 -3.137 12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.829 -4.313 13.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.687 -6.779 11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.094 -6.653 12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.204 -6.933 10.787 1.00 0.00 H new ATOM 461 N CYS A 31 10.002 -3.037 9.389 1.00 0.00 N ATOM 462 CA CYS A 31 8.760 -2.267 9.242 1.00 0.00 C ATOM 463 C CYS A 31 7.697 -2.988 8.387 1.00 0.00 C ATOM 464 O CYS A 31 6.500 -2.855 8.646 1.00 0.00 O ATOM 465 CB CYS A 31 9.086 -0.853 8.734 1.00 0.00 C ATOM 466 SG CYS A 31 9.648 -0.859 7.010 1.00 0.00 S ATOM 0 H CYS A 31 10.822 -2.592 8.977 1.00 0.00 H new ATOM 0 HA CYS A 31 8.298 -2.177 10.225 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.201 -0.223 8.824 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.857 -0.411 9.365 1.00 0.00 H new ATOM 0 HG CYS A 31 10.175 -2.014 6.729 1.00 0.00 H new ATOM 472 N VAL A 32 8.128 -3.808 7.423 1.00 0.00 N ATOM 473 CA VAL A 32 7.256 -4.655 6.592 1.00 0.00 C ATOM 474 C VAL A 32 6.763 -5.895 7.366 1.00 0.00 C ATOM 475 O VAL A 32 5.583 -6.244 7.262 1.00 0.00 O ATOM 476 CB VAL A 32 7.963 -5.055 5.276 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.209 -6.116 4.453 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.158 -3.813 4.387 1.00 0.00 C ATOM 0 H VAL A 32 9.116 -3.906 7.191 1.00 0.00 H new ATOM 0 HA VAL A 32 6.376 -4.067 6.332 1.00 0.00 H new ATOM 0 HB VAL A 32 8.915 -5.492 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.771 -6.340 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.098 -7.024 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.224 -5.735 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.657 -4.102 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.187 -3.376 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.769 -3.080 4.914 1.00 0.00 H new ATOM 488 N GLN A 33 7.632 -6.555 8.144 1.00 0.00 N ATOM 489 CA GLN A 33 7.291 -7.775 8.891 1.00 0.00 C ATOM 490 C GLN A 33 6.422 -7.483 10.122 1.00 0.00 C ATOM 491 O GLN A 33 5.387 -8.119 10.318 1.00 0.00 O ATOM 492 CB GLN A 33 8.592 -8.497 9.286 1.00 0.00 C ATOM 493 CG GLN A 33 8.327 -9.872 9.918 1.00 0.00 C ATOM 494 CD GLN A 33 9.624 -10.626 10.203 1.00 0.00 C ATOM 495 OE1 GLN A 33 10.108 -11.415 9.398 1.00 0.00 O ATOM 496 NE2 GLN A 33 10.256 -10.404 11.339 1.00 0.00 N ATOM 0 H GLN A 33 8.598 -6.256 8.274 1.00 0.00 H new ATOM 0 HA GLN A 33 6.693 -8.420 8.247 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.219 -8.620 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.149 -7.878 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.770 -9.744 10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.702 -10.464 9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.868 -9.751 12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.133 -10.885 11.537 1.00 0.00 H new ATOM 505 N TYR A 34 6.836 -6.528 10.957 1.00 0.00 N ATOM 506 CA TYR A 34 6.178 -6.189 12.229 1.00 0.00 C ATOM 507 C TYR A 34 5.001 -5.208 12.068 1.00 0.00 C ATOM 508 O TYR A 34 4.190 -5.061 12.986 1.00 0.00 O ATOM 509 CB TYR A 34 7.236 -5.632 13.198 1.00 0.00 C ATOM 510 CG TYR A 34 8.190 -6.703 13.700 1.00 0.00 C ATOM 511 CD1 TYR A 34 7.803 -7.539 14.765 1.00 0.00 C ATOM 512 CD2 TYR A 34 9.443 -6.900 13.087 1.00 0.00 C ATOM 513 CE1 TYR A 34 8.657 -8.575 15.200 1.00 0.00 C ATOM 514 CE2 TYR A 34 10.306 -7.923 13.519 1.00 0.00 C ATOM 515 CZ TYR A 34 9.906 -8.774 14.574 1.00 0.00 C ATOM 516 OH TYR A 34 10.722 -9.787 14.984 1.00 0.00 O ATOM 0 H TYR A 34 7.657 -5.953 10.767 1.00 0.00 H new ATOM 0 HA TYR A 34 5.738 -7.101 12.632 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.806 -4.849 12.697 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.736 -5.168 14.048 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.850 -7.387 15.250 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.745 -6.256 12.274 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.354 -9.217 16.014 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.268 -8.057 13.047 1.00 0.00 H new ATOM 0 HH TYR A 34 11.542 -9.784 14.447 1.00 0.00 H new ATOM 526 N GLY A 35 4.901 -4.516 10.923 1.00 0.00 N ATOM 527 CA GLY A 35 3.835 -3.550 10.615 1.00 0.00 C ATOM 528 C GLY A 35 4.007 -2.188 11.291 1.00 0.00 C ATOM 529 O GLY A 35 3.131 -1.331 11.163 1.00 0.00 O ATOM 0 H GLY A 35 5.577 -4.615 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.793 -3.404 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.877 -3.974 10.917 1.00 0.00 H new ATOM 533 N GLN A 36 5.109 -1.977 12.011 1.00 0.00 N ATOM 534 CA GLN A 36 5.443 -0.722 12.675 1.00 0.00 C ATOM 535 C GLN A 36 5.891 0.313 11.628 1.00 0.00 C ATOM 536 O GLN A 36 6.713 0.006 10.764 1.00 0.00 O ATOM 537 CB GLN A 36 6.538 -0.999 13.725 1.00 0.00 C ATOM 538 CG GLN A 36 6.974 0.241 14.523 1.00 0.00 C ATOM 539 CD GLN A 36 5.829 0.855 15.339 1.00 0.00 C ATOM 540 OE1 GLN A 36 5.048 1.671 14.858 1.00 0.00 O ATOM 541 NE2 GLN A 36 5.652 0.471 16.588 1.00 0.00 N ATOM 0 H GLN A 36 5.815 -2.700 12.151 1.00 0.00 H new ATOM 0 HA GLN A 36 4.574 -0.308 13.187 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.176 -1.756 14.421 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.409 -1.419 13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.787 -0.033 15.195 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.367 0.990 13.836 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.289 -0.206 17.008 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.878 0.851 17.134 1.00 0.00 H new ATOM 550 N ASN A 37 5.374 1.544 11.698 1.00 0.00 N ATOM 551 CA ASN A 37 5.693 2.594 10.725 1.00 0.00 C ATOM 552 C ASN A 37 7.171 3.038 10.853 1.00 0.00 C ATOM 553 O ASN A 37 7.712 3.089 11.966 1.00 0.00 O ATOM 554 CB ASN A 37 4.694 3.751 10.896 1.00 0.00 C ATOM 555 CG ASN A 37 4.576 4.645 9.664 1.00 0.00 C ATOM 556 OD1 ASN A 37 5.157 4.394 8.611 1.00 0.00 O ATOM 557 ND2 ASN A 37 3.762 5.683 9.736 1.00 0.00 N ATOM 0 H ASN A 37 4.725 1.840 12.427 1.00 0.00 H new ATOM 0 HA ASN A 37 5.589 2.211 9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.712 3.340 11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.998 4.359 11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.617 6.275 8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.279 5.893 10.610 1.00 0.00 H new ATOM 564 N GLU A 38 7.861 3.270 9.726 1.00 0.00 N ATOM 565 CA GLU A 38 9.324 3.134 9.684 1.00 0.00 C ATOM 566 C GLU A 38 10.102 4.206 10.469 1.00 0.00 C ATOM 567 O GLU A 38 11.205 3.923 10.934 1.00 0.00 O ATOM 568 CB GLU A 38 9.845 2.977 8.248 1.00 0.00 C ATOM 569 CG GLU A 38 10.036 4.247 7.412 1.00 0.00 C ATOM 570 CD GLU A 38 8.722 4.957 7.068 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.860 4.331 6.409 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.565 6.149 7.417 1.00 0.00 O ATOM 0 H GLU A 38 7.436 3.549 8.842 1.00 0.00 H new ATOM 0 HA GLU A 38 9.528 2.207 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.803 2.460 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.156 2.324 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.681 4.937 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.553 3.989 6.488 1.00 0.00 H new ATOM 579 N GLU A 39 9.539 5.395 10.694 1.00 0.00 N ATOM 580 CA GLU A 39 10.134 6.425 11.550 1.00 0.00 C ATOM 581 C GLU A 39 10.224 5.980 13.023 1.00 0.00 C ATOM 582 O GLU A 39 11.136 6.397 13.740 1.00 0.00 O ATOM 583 CB GLU A 39 9.379 7.761 11.392 1.00 0.00 C ATOM 584 CG GLU A 39 8.094 7.951 12.226 1.00 0.00 C ATOM 585 CD GLU A 39 6.979 6.924 11.985 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.891 6.361 10.870 1.00 0.00 O ATOM 587 OE2 GLU A 39 6.174 6.690 12.918 1.00 0.00 O ATOM 0 H GLU A 39 8.648 5.673 10.283 1.00 0.00 H new ATOM 0 HA GLU A 39 11.161 6.579 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.067 8.569 11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.119 7.879 10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.363 7.925 13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.696 8.945 12.022 1.00 0.00 H new ATOM 594 N GLY A 40 9.329 5.082 13.456 1.00 0.00 N ATOM 595 CA GLY A 40 9.374 4.436 14.766 1.00 0.00 C ATOM 596 C GLY A 40 10.437 3.337 14.812 1.00 0.00 C ATOM 597 O GLY A 40 11.129 3.206 15.819 1.00 0.00 O ATOM 0 H GLY A 40 8.537 4.780 12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.586 5.181 15.533 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.398 4.009 14.996 1.00 0.00 H new ATOM 601 N MET A 41 10.632 2.593 13.716 1.00 0.00 N ATOM 602 CA MET A 41 11.716 1.603 13.601 1.00 0.00 C ATOM 603 C MET A 41 13.091 2.285 13.603 1.00 0.00 C ATOM 604 O MET A 41 13.983 1.887 14.354 1.00 0.00 O ATOM 605 CB MET A 41 11.508 0.738 12.344 1.00 0.00 C ATOM 606 CG MET A 41 12.356 -0.537 12.371 1.00 0.00 C ATOM 607 SD MET A 41 12.003 -1.712 13.711 1.00 0.00 S ATOM 608 CE MET A 41 10.285 -2.121 13.321 1.00 0.00 C ATOM 0 H MET A 41 10.045 2.658 12.884 1.00 0.00 H new ATOM 0 HA MET A 41 11.687 0.947 14.471 1.00 0.00 H new ATOM 0 HB2 MET A 41 10.455 0.470 12.260 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.760 1.321 11.458 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.227 -1.054 11.420 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.405 -0.249 12.437 1.00 0.00 H new ATOM 0 HE1 MET A 41 10.115 -3.183 13.496 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.619 -1.538 13.956 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.084 -1.889 12.275 1.00 0.00 H new ATOM 618 N VAL A 42 13.238 3.369 12.833 1.00 0.00 N ATOM 619 CA VAL A 42 14.426 4.241 12.826 1.00 0.00 C ATOM 620 C VAL A 42 14.688 4.850 14.217 1.00 0.00 C ATOM 621 O VAL A 42 15.842 4.920 14.635 1.00 0.00 O ATOM 622 CB VAL A 42 14.281 5.348 11.749 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.313 6.482 11.886 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.442 4.747 10.346 1.00 0.00 C ATOM 0 H VAL A 42 12.517 3.675 12.179 1.00 0.00 H new ATOM 0 HA VAL A 42 15.291 3.628 12.573 1.00 0.00 H new ATOM 0 HB VAL A 42 13.287 5.770 11.899 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.150 7.219 11.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.202 6.960 12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.319 6.071 11.796 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.338 5.534 9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.427 4.290 10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.675 3.990 10.184 1.00 0.00 H new ATOM 634 N GLY A 43 13.638 5.249 14.950 1.00 0.00 N ATOM 635 CA GLY A 43 13.746 5.850 16.286 1.00 0.00 C ATOM 636 C GLY A 43 14.117 4.850 17.381 1.00 0.00 C ATOM 637 O GLY A 43 14.944 5.162 18.237 1.00 0.00 O ATOM 0 H GLY A 43 12.675 5.161 14.625 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.495 6.641 16.259 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.796 6.319 16.542 1.00 0.00 H new ATOM 641 N GLU A 44 13.564 3.634 17.353 1.00 0.00 N ATOM 642 CA GLU A 44 13.820 2.576 18.336 1.00 0.00 C ATOM 643 C GLU A 44 15.284 2.088 18.308 1.00 0.00 C ATOM 644 O GLU A 44 15.853 1.752 19.349 1.00 0.00 O ATOM 645 CB GLU A 44 12.834 1.435 18.038 1.00 0.00 C ATOM 646 CG GLU A 44 12.682 0.413 19.164 1.00 0.00 C ATOM 647 CD GLU A 44 11.846 0.981 20.322 1.00 0.00 C ATOM 648 OE1 GLU A 44 10.599 1.011 20.209 1.00 0.00 O ATOM 649 OE2 GLU A 44 12.424 1.418 21.347 1.00 0.00 O ATOM 0 H GLU A 44 12.908 3.350 16.626 1.00 0.00 H new ATOM 0 HA GLU A 44 13.669 2.961 19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.856 1.865 17.822 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.161 0.917 17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.208 -0.489 18.778 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.667 0.123 19.531 1.00 0.00 H new ATOM 656 N LEU A 45 15.926 2.106 17.131 1.00 0.00 N ATOM 657 CA LEU A 45 17.343 1.764 16.945 1.00 0.00 C ATOM 658 C LEU A 45 18.298 2.675 17.739 1.00 0.00 C ATOM 659 O LEU A 45 19.350 2.226 18.186 1.00 0.00 O ATOM 660 CB LEU A 45 17.623 1.820 15.432 1.00 0.00 C ATOM 661 CG LEU A 45 19.045 1.423 14.989 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.374 -0.043 15.307 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.177 1.663 13.478 1.00 0.00 C ATOM 0 H LEU A 45 15.462 2.365 16.260 1.00 0.00 H new ATOM 0 HA LEU A 45 17.531 0.766 17.340 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.912 1.166 14.927 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.426 2.834 15.084 1.00 0.00 H new ATOM 0 HG LEU A 45 19.752 2.038 15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.387 -0.269 14.974 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.300 -0.208 16.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.669 -0.694 14.791 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.179 1.386 13.152 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.442 1.057 12.948 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.003 2.717 13.260 1.00 0.00 H new ATOM 675 N ILE A 46 17.928 3.948 17.940 1.00 0.00 N ATOM 676 CA ILE A 46 18.753 4.960 18.632 1.00 0.00 C ATOM 677 C ILE A 46 18.965 4.595 20.106 1.00 0.00 C ATOM 678 O ILE A 46 20.082 4.699 20.614 1.00 0.00 O ATOM 679 CB ILE A 46 18.124 6.363 18.497 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.949 6.730 17.005 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.985 7.413 19.220 1.00 0.00 C ATOM 682 CD1 ILE A 46 17.143 8.007 16.776 1.00 0.00 C ATOM 0 H ILE A 46 17.031 4.314 17.622 1.00 0.00 H new ATOM 0 HA ILE A 46 19.732 4.976 18.152 1.00 0.00 H new ATOM 0 HB ILE A 46 17.140 6.350 18.966 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.933 6.846 16.551 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.457 5.904 16.492 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.526 8.396 19.114 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.057 7.159 20.277 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.983 7.430 18.782 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.063 8.200 15.706 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.146 7.889 17.199 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.645 8.846 17.259 1.00 0.00 H new ATOM 694 N ALA A 47 17.912 4.133 20.782 1.00 0.00 N ATOM 695 CA ALA A 47 17.952 3.753 22.196 1.00 0.00 C ATOM 696 C ALA A 47 18.914 2.578 22.456 1.00 0.00 C ATOM 697 O ALA A 47 19.616 2.576 23.470 1.00 0.00 O ATOM 698 CB ALA A 47 16.518 3.437 22.651 1.00 0.00 C ATOM 0 H ALA A 47 16.993 4.010 20.357 1.00 0.00 H new ATOM 0 HA ALA A 47 18.345 4.583 22.782 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.525 3.151 23.703 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.892 4.319 22.519 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.120 2.616 22.055 1.00 0.00 H new ATOM 704 N PHE A 48 18.999 1.616 21.527 1.00 0.00 N ATOM 705 CA PHE A 48 19.938 0.497 21.598 1.00 0.00 C ATOM 706 C PHE A 48 21.394 0.988 21.517 1.00 0.00 C ATOM 707 O PHE A 48 22.191 0.681 22.406 1.00 0.00 O ATOM 708 CB PHE A 48 19.599 -0.521 20.497 1.00 0.00 C ATOM 709 CG PHE A 48 20.478 -1.765 20.473 1.00 0.00 C ATOM 710 CD1 PHE A 48 20.717 -2.492 21.658 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.018 -2.221 19.256 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.502 -3.658 21.628 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.798 -3.390 19.229 1.00 0.00 C ATOM 714 CZ PHE A 48 22.039 -4.110 20.413 1.00 0.00 C ATOM 0 H PHE A 48 18.408 1.596 20.696 1.00 0.00 H new ATOM 0 HA PHE A 48 19.839 -0.001 22.563 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.561 -0.831 20.618 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.673 -0.024 19.530 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.295 -2.152 22.592 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.833 -1.673 18.344 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.692 -4.205 22.539 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.214 -3.737 18.295 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.636 -5.009 20.387 1.00 0.00 H new ATOM 724 N CYS A 49 21.732 1.820 20.520 1.00 0.00 N ATOM 725 CA CYS A 49 23.066 2.424 20.379 1.00 0.00 C ATOM 726 C CYS A 49 23.438 3.350 21.556 1.00 0.00 C ATOM 727 O CYS A 49 24.596 3.371 21.984 1.00 0.00 O ATOM 728 CB CYS A 49 23.120 3.179 19.041 1.00 0.00 C ATOM 729 SG CYS A 49 22.924 2.017 17.656 1.00 0.00 S ATOM 0 H CYS A 49 21.082 2.095 19.783 1.00 0.00 H new ATOM 0 HA CYS A 49 23.807 1.624 20.393 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.332 3.932 19.008 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.069 3.707 18.951 1.00 0.00 H new ATOM 0 HG CYS A 49 22.969 2.669 16.532 1.00 0.00 H new ATOM 735 N THR A 50 22.457 4.071 22.116 1.00 0.00 N ATOM 736 CA THR A 50 22.626 4.910 23.320 1.00 0.00 C ATOM 737 C THR A 50 22.938 4.054 24.541 1.00 0.00 C ATOM 738 O THR A 50 23.836 4.391 25.309 1.00 0.00 O ATOM 739 CB THR A 50 21.376 5.772 23.553 1.00 0.00 C ATOM 740 OG1 THR A 50 21.161 6.586 22.420 1.00 0.00 O ATOM 741 CG2 THR A 50 21.530 6.700 24.759 1.00 0.00 C ATOM 0 H THR A 50 21.508 4.091 21.743 1.00 0.00 H new ATOM 0 HA THR A 50 23.473 5.576 23.158 1.00 0.00 H new ATOM 0 HB THR A 50 20.543 5.092 23.734 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.780 6.046 21.696 1.00 0.00 H new ATOM 0 HG21 THR A 50 20.621 7.289 24.883 1.00 0.00 H new ATOM 0 HG22 THR A 50 21.703 6.105 25.656 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.376 7.368 24.598 1.00 0.00 H new ATOM 749 N SER A 51 22.250 2.927 24.701 1.00 0.00 N ATOM 750 CA SER A 51 22.462 1.992 25.822 1.00 0.00 C ATOM 751 C SER A 51 23.823 1.262 25.771 1.00 0.00 C ATOM 752 O SER A 51 24.428 1.059 26.829 1.00 0.00 O ATOM 753 CB SER A 51 21.334 0.948 25.875 1.00 0.00 C ATOM 754 OG SER A 51 20.073 1.551 26.138 1.00 0.00 O ATOM 0 H SER A 51 21.521 2.627 24.054 1.00 0.00 H new ATOM 0 HA SER A 51 22.458 2.606 26.722 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.290 0.411 24.928 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.554 0.213 26.649 1.00 0.00 H new ATOM 0 HG SER A 51 19.743 1.987 25.325 1.00 0.00 H new ATOM 760 N THR A 52 24.327 0.900 24.578 1.00 0.00 N ATOM 761 CA THR A 52 25.648 0.257 24.405 1.00 0.00 C ATOM 762 C THR A 52 26.798 1.261 24.380 1.00 0.00 C ATOM 763 O THR A 52 27.917 0.903 24.749 1.00 0.00 O ATOM 764 CB THR A 52 25.689 -0.609 23.138 1.00 0.00 C ATOM 765 OG1 THR A 52 25.433 0.203 22.014 1.00 0.00 O ATOM 766 CG2 THR A 52 24.674 -1.751 23.194 1.00 0.00 C ATOM 0 H THR A 52 23.829 1.045 23.700 1.00 0.00 H new ATOM 0 HA THR A 52 25.784 -0.380 25.279 1.00 0.00 H new ATOM 0 HB THR A 52 26.680 -1.056 23.064 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.459 -0.345 21.202 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.737 -2.339 22.278 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.891 -2.389 24.050 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.669 -1.340 23.294 1.00 0.00 H new ATOM 774 N HIS A 53 26.530 2.499 23.960 1.00 0.00 N ATOM 775 CA HIS A 53 27.420 3.673 23.935 1.00 0.00 C ATOM 776 C HIS A 53 28.385 3.675 22.720 1.00 0.00 C ATOM 777 O HIS A 53 29.151 4.628 22.529 1.00 0.00 O ATOM 778 CB HIS A 53 28.138 3.839 25.292 1.00 0.00 C ATOM 779 CG HIS A 53 28.493 5.267 25.652 1.00 0.00 C ATOM 780 ND1 HIS A 53 29.236 6.142 24.895 1.00 0.00 N ATOM 781 CD2 HIS A 53 28.176 5.924 26.812 1.00 0.00 C ATOM 782 CE1 HIS A 53 29.362 7.295 25.572 1.00 0.00 C ATOM 783 NE2 HIS A 53 28.731 7.214 26.757 1.00 0.00 N ATOM 0 H HIS A 53 25.606 2.731 23.596 1.00 0.00 H new ATOM 0 HA HIS A 53 26.799 4.557 23.790 1.00 0.00 H new ATOM 0 HB2 HIS A 53 27.502 3.429 26.076 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.052 3.245 25.279 1.00 0.00 H new ATOM 0 HD1 HIS A 53 29.626 5.948 23.973 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.598 5.519 27.630 1.00 0.00 H new ATOM 0 HE1 HIS A 53 29.895 8.164 25.215 1.00 0.00 H new ATOM 791 N LYS A 54 28.364 2.647 21.859 1.00 0.00 N ATOM 792 CA LYS A 54 29.165 2.611 20.624 1.00 0.00 C ATOM 793 C LYS A 54 28.633 3.608 19.567 1.00 0.00 C ATOM 794 O LYS A 54 27.418 3.782 19.415 1.00 0.00 O ATOM 795 CB LYS A 54 29.244 1.169 20.076 1.00 0.00 C ATOM 796 CG LYS A 54 30.516 0.422 20.527 1.00 0.00 C ATOM 797 CD LYS A 54 30.623 0.125 22.031 1.00 0.00 C ATOM 798 CE LYS A 54 29.628 -0.956 22.466 1.00 0.00 C ATOM 799 NZ LYS A 54 29.701 -1.202 23.929 1.00 0.00 N ATOM 0 H LYS A 54 27.790 1.815 21.999 1.00 0.00 H new ATOM 0 HA LYS A 54 30.178 2.932 20.865 1.00 0.00 H new ATOM 0 HB2 LYS A 54 28.366 0.612 20.405 1.00 0.00 H new ATOM 0 HB3 LYS A 54 29.213 1.198 18.987 1.00 0.00 H new ATOM 0 HG2 LYS A 54 30.571 -0.522 19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 54 31.384 1.011 20.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.637 -0.197 22.267 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.439 1.038 22.597 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.617 -0.651 22.197 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.836 -1.881 21.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 29.370 -2.166 24.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.685 -1.098 24.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 29.100 -0.515 24.427 1.00 0.00 H new ATOM 813 N VAL A 55 29.544 4.240 18.828 1.00 0.00 N ATOM 814 CA VAL A 55 29.249 5.262 17.804 1.00 0.00 C ATOM 815 C VAL A 55 29.047 4.602 16.433 1.00 0.00 C ATOM 816 O VAL A 55 29.806 3.713 16.050 1.00 0.00 O ATOM 817 CB VAL A 55 30.368 6.331 17.745 1.00 0.00 C ATOM 818 CG1 VAL A 55 30.104 7.401 16.669 1.00 0.00 C ATOM 819 CG2 VAL A 55 30.533 7.040 19.106 1.00 0.00 C ATOM 0 H VAL A 55 30.542 4.054 18.923 1.00 0.00 H new ATOM 0 HA VAL A 55 28.324 5.767 18.082 1.00 0.00 H new ATOM 0 HB VAL A 55 31.281 5.793 17.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 30.918 8.126 16.669 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.042 6.925 15.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.165 7.910 16.885 1.00 0.00 H new ATOM 0 HG21 VAL A 55 31.325 7.785 19.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 29.598 7.530 19.377 1.00 0.00 H new ATOM 0 HG23 VAL A 55 30.793 6.306 19.869 1.00 0.00 H new ATOM 829 N GLY A 56 28.033 5.060 15.687 1.00 0.00 N ATOM 830 CA GLY A 56 27.720 4.583 14.334 1.00 0.00 C ATOM 831 C GLY A 56 26.916 3.274 14.302 1.00 0.00 C ATOM 832 O GLY A 56 26.448 2.783 15.333 1.00 0.00 O ATOM 0 H GLY A 56 27.395 5.786 16.013 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.158 5.355 13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 56 28.651 4.439 13.786 1.00 0.00 H new ATOM 836 N LEU A 57 26.744 2.726 13.094 1.00 0.00 N ATOM 837 CA LEU A 57 25.967 1.518 12.793 1.00 0.00 C ATOM 838 C LEU A 57 26.737 0.592 11.830 1.00 0.00 C ATOM 839 O LEU A 57 27.578 1.052 11.051 1.00 0.00 O ATOM 840 CB LEU A 57 24.596 1.935 12.201 1.00 0.00 C ATOM 841 CG LEU A 57 23.574 2.361 13.275 1.00 0.00 C ATOM 842 CD1 LEU A 57 22.457 3.217 12.661 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.949 1.143 13.961 1.00 0.00 C ATOM 0 H LEU A 57 27.164 3.133 12.258 1.00 0.00 H new ATOM 0 HA LEU A 57 25.801 0.955 13.711 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.745 2.759 11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.186 1.103 11.629 1.00 0.00 H new ATOM 0 HG LEU A 57 24.115 2.949 14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 57 21.750 3.504 13.439 1.00 0.00 H new ATOM 0 HD12 LEU A 57 22.889 4.113 12.214 1.00 0.00 H new ATOM 0 HD13 LEU A 57 21.939 2.643 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.233 1.476 14.713 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.437 0.530 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.731 0.554 14.441 1.00 0.00 H new ATOM 855 N THR A 58 26.437 -0.714 11.904 1.00 0.00 N ATOM 856 CA THR A 58 27.140 -1.820 11.229 1.00 0.00 C ATOM 857 C THR A 58 26.346 -3.113 11.394 1.00 0.00 C ATOM 858 O THR A 58 25.498 -3.215 12.279 1.00 0.00 O ATOM 859 CB THR A 58 28.596 -1.930 11.717 1.00 0.00 C ATOM 860 OG1 THR A 58 29.257 -2.935 10.983 1.00 0.00 O ATOM 861 CG2 THR A 58 28.717 -2.256 13.210 1.00 0.00 C ATOM 0 H THR A 58 25.654 -1.047 12.467 1.00 0.00 H new ATOM 0 HA THR A 58 27.202 -1.616 10.160 1.00 0.00 H new ATOM 0 HB THR A 58 29.051 -0.952 11.561 1.00 0.00 H new ATOM 0 HG1 THR A 58 30.185 -3.007 11.289 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.770 -2.318 13.485 1.00 0.00 H new ATOM 0 HG22 THR A 58 28.236 -1.471 13.794 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.231 -3.210 13.415 1.00 0.00 H new ATOM 869 N SER A 59 26.614 -4.108 10.554 1.00 0.00 N ATOM 870 CA SER A 59 25.825 -5.348 10.447 1.00 0.00 C ATOM 871 C SER A 59 25.737 -6.141 11.766 1.00 0.00 C ATOM 872 O SER A 59 24.734 -6.810 12.017 1.00 0.00 O ATOM 873 CB SER A 59 26.409 -6.214 9.319 1.00 0.00 C ATOM 874 OG SER A 59 25.516 -7.241 8.911 1.00 0.00 O ATOM 0 H SER A 59 27.404 -4.081 9.909 1.00 0.00 H new ATOM 0 HA SER A 59 24.798 -5.065 10.214 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.647 -5.581 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 59 27.345 -6.661 9.654 1.00 0.00 H new ATOM 0 HG SER A 59 25.927 -7.765 8.192 1.00 0.00 H new ATOM 880 N GLU A 60 26.743 -6.025 12.643 1.00 0.00 N ATOM 881 CA GLU A 60 26.737 -6.629 13.985 1.00 0.00 C ATOM 882 C GLU A 60 25.684 -5.975 14.906 1.00 0.00 C ATOM 883 O GLU A 60 25.039 -6.659 15.702 1.00 0.00 O ATOM 884 CB GLU A 60 28.125 -6.501 14.634 1.00 0.00 C ATOM 885 CG GLU A 60 29.265 -7.175 13.850 1.00 0.00 C ATOM 886 CD GLU A 60 29.079 -8.695 13.722 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.310 -9.421 14.717 1.00 0.00 O ATOM 888 OE2 GLU A 60 28.729 -9.179 12.619 1.00 0.00 O ATOM 0 H GLU A 60 27.595 -5.503 12.439 1.00 0.00 H new ATOM 0 HA GLU A 60 26.479 -7.681 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 28.360 -5.443 14.753 1.00 0.00 H new ATOM 0 HB3 GLU A 60 28.085 -6.933 15.634 1.00 0.00 H new ATOM 0 HG2 GLU A 60 29.325 -6.735 12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 60 30.213 -6.970 14.347 1.00 0.00 H new ATOM 895 N ILE A 61 25.480 -4.658 14.778 1.00 0.00 N ATOM 896 CA ILE A 61 24.483 -3.889 15.549 1.00 0.00 C ATOM 897 C ILE A 61 23.086 -4.107 14.960 1.00 0.00 C ATOM 898 O ILE A 61 22.129 -4.305 15.708 1.00 0.00 O ATOM 899 CB ILE A 61 24.875 -2.387 15.608 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.252 -2.220 16.301 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.799 -1.567 16.351 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.777 -0.779 16.363 1.00 0.00 C ATOM 0 H ILE A 61 26.011 -4.082 14.125 1.00 0.00 H new ATOM 0 HA ILE A 61 24.465 -4.249 16.578 1.00 0.00 H new ATOM 0 HB ILE A 61 24.945 -2.011 14.587 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.180 -2.608 17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.983 -2.835 15.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.096 -0.519 16.379 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.846 -1.660 15.830 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.694 -1.942 17.369 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.744 -0.765 16.865 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.888 -0.388 15.351 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.072 -0.158 16.917 1.00 0.00 H new ATOM 914 N LEU A 62 22.956 -4.127 13.632 1.00 0.00 N ATOM 915 CA LEU A 62 21.681 -4.383 12.953 1.00 0.00 C ATOM 916 C LEU A 62 21.157 -5.809 13.194 1.00 0.00 C ATOM 917 O LEU A 62 19.950 -5.992 13.351 1.00 0.00 O ATOM 918 CB LEU A 62 21.834 -4.068 11.449 1.00 0.00 C ATOM 919 CG LEU A 62 21.610 -2.605 11.004 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.278 -2.023 11.498 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.745 -1.660 11.422 1.00 0.00 C ATOM 0 H LEU A 62 23.735 -3.966 12.993 1.00 0.00 H new ATOM 0 HA LEU A 62 20.926 -3.723 13.380 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.838 -4.364 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 62 21.135 -4.698 10.900 1.00 0.00 H new ATOM 0 HG LEU A 62 21.589 -2.664 9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.180 -0.994 11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.453 -2.617 11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.254 -2.044 12.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.523 -0.650 11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.838 -1.661 12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.681 -1.997 10.978 1.00 0.00 H new ATOM 933 N ASN A 63 22.043 -6.808 13.283 1.00 0.00 N ATOM 934 CA ASN A 63 21.667 -8.182 13.629 1.00 0.00 C ATOM 935 C ASN A 63 21.220 -8.313 15.103 1.00 0.00 C ATOM 936 O ASN A 63 20.206 -8.950 15.386 1.00 0.00 O ATOM 937 CB ASN A 63 22.846 -9.115 13.312 1.00 0.00 C ATOM 938 CG ASN A 63 22.507 -10.573 13.611 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.745 -11.208 12.892 1.00 0.00 O ATOM 940 ND2 ASN A 63 23.036 -11.133 14.684 1.00 0.00 N ATOM 0 H ASN A 63 23.042 -6.685 13.117 1.00 0.00 H new ATOM 0 HA ASN A 63 20.804 -8.470 13.029 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.119 -9.013 12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.715 -8.816 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.811 -12.100 14.918 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.670 -10.599 15.278 1.00 0.00 H new ATOM 947 N SER A 64 21.947 -7.715 16.050 1.00 0.00 N ATOM 948 CA SER A 64 21.585 -7.773 17.477 1.00 0.00 C ATOM 949 C SER A 64 20.359 -6.911 17.834 1.00 0.00 C ATOM 950 O SER A 64 19.615 -7.267 18.750 1.00 0.00 O ATOM 951 CB SER A 64 22.796 -7.444 18.367 1.00 0.00 C ATOM 952 OG SER A 64 23.446 -6.234 18.013 1.00 0.00 O ATOM 0 H SER A 64 22.795 -7.181 15.857 1.00 0.00 H new ATOM 0 HA SER A 64 21.285 -8.802 17.677 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.468 -7.381 19.405 1.00 0.00 H new ATOM 0 HB3 SER A 64 23.513 -8.263 18.309 1.00 0.00 H new ATOM 0 HG SER A 64 24.010 -6.384 17.226 1.00 0.00 H new ATOM 958 N PHE A 65 20.059 -5.848 17.067 1.00 0.00 N ATOM 959 CA PHE A 65 18.857 -5.027 17.250 1.00 0.00 C ATOM 960 C PHE A 65 17.544 -5.819 17.080 1.00 0.00 C ATOM 961 O PHE A 65 16.595 -5.589 17.826 1.00 0.00 O ATOM 962 CB PHE A 65 18.913 -3.829 16.292 1.00 0.00 C ATOM 963 CG PHE A 65 17.668 -2.957 16.314 1.00 0.00 C ATOM 964 CD1 PHE A 65 17.283 -2.303 17.502 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.876 -2.814 15.151 1.00 0.00 C ATOM 966 CE1 PHE A 65 16.107 -1.528 17.536 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.717 -2.023 15.183 1.00 0.00 C ATOM 968 CZ PHE A 65 15.328 -1.384 16.376 1.00 0.00 C ATOM 0 H PHE A 65 20.651 -5.535 16.298 1.00 0.00 H new ATOM 0 HA PHE A 65 18.851 -4.676 18.282 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.778 -3.215 16.545 1.00 0.00 H new ATOM 0 HB3 PHE A 65 19.069 -4.196 15.277 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.892 -2.396 18.389 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.163 -3.314 14.238 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.805 -1.045 18.453 1.00 0.00 H new ATOM 0 HE2 PHE A 65 15.122 -1.904 14.290 1.00 0.00 H new ATOM 0 HZ PHE A 65 14.431 -0.783 16.399 1.00 0.00 H new ATOM 978 N GLU A 66 17.499 -6.800 16.168 1.00 0.00 N ATOM 979 CA GLU A 66 16.365 -7.734 16.071 1.00 0.00 C ATOM 980 C GLU A 66 16.151 -8.519 17.371 1.00 0.00 C ATOM 981 O GLU A 66 15.014 -8.775 17.767 1.00 0.00 O ATOM 982 CB GLU A 66 16.577 -8.762 14.945 1.00 0.00 C ATOM 983 CG GLU A 66 16.454 -8.141 13.550 1.00 0.00 C ATOM 984 CD GLU A 66 16.372 -9.233 12.470 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.307 -9.874 12.334 1.00 0.00 O ATOM 986 OE2 GLU A 66 17.363 -9.443 11.734 1.00 0.00 O ATOM 0 H GLU A 66 18.237 -6.969 15.484 1.00 0.00 H new ATOM 0 HA GLU A 66 15.492 -7.115 15.864 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.563 -9.214 15.052 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.846 -9.564 15.048 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.565 -7.511 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.312 -7.497 13.357 1.00 0.00 H new ATOM 993 N HIS A 67 17.228 -8.898 18.055 1.00 0.00 N ATOM 994 CA HIS A 67 17.186 -9.795 19.207 1.00 0.00 C ATOM 995 C HIS A 67 16.983 -9.060 20.550 1.00 0.00 C ATOM 996 O HIS A 67 16.545 -9.679 21.524 1.00 0.00 O ATOM 997 CB HIS A 67 18.474 -10.632 19.201 1.00 0.00 C ATOM 998 CG HIS A 67 18.580 -11.550 17.998 1.00 0.00 C ATOM 999 ND1 HIS A 67 19.110 -11.249 16.760 1.00 0.00 N ATOM 1000 CD2 HIS A 67 18.127 -12.841 17.935 1.00 0.00 C ATOM 1001 CE1 HIS A 67 18.981 -12.336 15.978 1.00 0.00 C ATOM 1002 NE2 HIS A 67 18.392 -13.339 16.649 1.00 0.00 N ATOM 0 H HIS A 67 18.170 -8.585 17.820 1.00 0.00 H new ATOM 0 HA HIS A 67 16.313 -10.442 19.116 1.00 0.00 H new ATOM 0 HB2 HIS A 67 19.335 -9.964 19.218 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.516 -11.229 20.112 1.00 0.00 H new ATOM 0 HD1 HIS A 67 19.526 -10.359 16.486 1.00 0.00 H new ATOM 0 HD2 HIS A 67 17.648 -13.383 18.737 1.00 0.00 H new ATOM 0 HE1 HIS A 67 19.307 -12.394 14.950 1.00 0.00 H new ATOM 1010 N GLU A 68 17.254 -7.748 20.616 1.00 0.00 N ATOM 1011 CA GLU A 68 17.158 -6.964 21.855 1.00 0.00 C ATOM 1012 C GLU A 68 15.723 -6.530 22.213 1.00 0.00 C ATOM 1013 O GLU A 68 15.466 -6.223 23.384 1.00 0.00 O ATOM 1014 CB GLU A 68 18.168 -5.799 21.827 1.00 0.00 C ATOM 1015 CG GLU A 68 17.740 -4.537 21.052 1.00 0.00 C ATOM 1016 CD GLU A 68 17.072 -3.462 21.933 1.00 0.00 C ATOM 1017 OE1 GLU A 68 17.565 -3.172 23.050 1.00 0.00 O ATOM 1018 OE2 GLU A 68 16.072 -2.853 21.484 1.00 0.00 O ATOM 0 H GLU A 68 17.547 -7.199 19.808 1.00 0.00 H new ATOM 0 HA GLU A 68 17.434 -7.623 22.678 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.385 -5.511 22.856 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.099 -6.165 21.395 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.616 -4.104 20.569 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.049 -4.825 20.260 1.00 0.00 H new ATOM 1025 N PHE A 69 14.777 -6.567 21.263 1.00 0.00 N ATOM 1026 CA PHE A 69 13.368 -6.208 21.491 1.00 0.00 C ATOM 1027 C PHE A 69 12.385 -6.794 20.460 1.00 0.00 C ATOM 1028 O PHE A 69 11.350 -7.323 20.858 1.00 0.00 O ATOM 1029 CB PHE A 69 13.236 -4.679 21.549 1.00 0.00 C ATOM 1030 CG PHE A 69 11.814 -4.167 21.726 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.048 -4.572 22.838 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.258 -3.287 20.781 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.724 -4.120 22.985 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.939 -2.829 20.932 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.167 -3.249 22.032 1.00 0.00 C ATOM 0 H PHE A 69 14.971 -6.851 20.303 1.00 0.00 H new ATOM 0 HA PHE A 69 13.086 -6.657 22.443 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.846 -4.307 22.372 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.647 -4.258 20.632 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.478 -5.230 23.578 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.847 -2.962 19.936 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.135 -4.442 23.831 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.516 -2.153 20.203 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.150 -2.903 22.143 1.00 0.00 H new ATOM 1045 N LEU A 70 12.671 -6.715 19.153 1.00 0.00 N ATOM 1046 CA LEU A 70 11.690 -7.069 18.113 1.00 0.00 C ATOM 1047 C LEU A 70 11.323 -8.566 18.144 1.00 0.00 C ATOM 1048 O LEU A 70 10.139 -8.912 18.184 1.00 0.00 O ATOM 1049 CB LEU A 70 12.199 -6.642 16.718 1.00 0.00 C ATOM 1050 CG LEU A 70 12.135 -5.141 16.351 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.725 -4.554 16.522 1.00 0.00 C ATOM 1052 CD2 LEU A 70 13.147 -4.285 17.122 1.00 0.00 C ATOM 0 H LEU A 70 13.573 -6.409 18.789 1.00 0.00 H new ATOM 0 HA LEU A 70 10.773 -6.519 18.327 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.236 -6.964 16.628 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.628 -7.193 15.971 1.00 0.00 H new ATOM 0 HG LEU A 70 12.403 -5.103 15.295 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.735 -3.498 16.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.028 -5.088 15.876 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.410 -4.659 17.560 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.049 -3.243 16.817 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.955 -4.370 18.192 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.157 -4.633 16.906 1.00 0.00 H new ATOM 1064 N SER A 71 12.315 -9.456 18.206 1.00 0.00 N ATOM 1065 CA SER A 71 12.123 -10.914 18.264 1.00 0.00 C ATOM 1066 C SER A 71 11.495 -11.394 19.593 1.00 0.00 C ATOM 1067 O SER A 71 10.934 -12.494 19.662 1.00 0.00 O ATOM 1068 CB SER A 71 13.480 -11.603 18.030 1.00 0.00 C ATOM 1069 OG SER A 71 13.347 -13.000 17.785 1.00 0.00 O ATOM 0 H SER A 71 13.297 -9.182 18.218 1.00 0.00 H new ATOM 0 HA SER A 71 11.414 -11.186 17.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.980 -11.135 17.182 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.117 -11.449 18.901 1.00 0.00 H new ATOM 0 HG SER A 71 14.233 -13.393 17.641 1.00 0.00 H new ATOM 1075 N LYS A 72 11.519 -10.567 20.650 1.00 0.00 N ATOM 1076 CA LYS A 72 10.819 -10.823 21.925 1.00 0.00 C ATOM 1077 C LYS A 72 9.286 -10.596 21.833 1.00 0.00 C ATOM 1078 O LYS A 72 8.577 -10.838 22.814 1.00 0.00 O ATOM 1079 CB LYS A 72 11.438 -9.955 23.045 1.00 0.00 C ATOM 1080 CG LYS A 72 12.960 -10.118 23.221 1.00 0.00 C ATOM 1081 CD LYS A 72 13.469 -9.206 24.348 1.00 0.00 C ATOM 1082 CE LYS A 72 14.980 -9.366 24.537 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.522 -8.303 25.419 1.00 0.00 N ATOM 0 H LYS A 72 12.033 -9.686 20.646 1.00 0.00 H new ATOM 0 HA LYS A 72 10.955 -11.878 22.162 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.221 -8.908 22.836 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.949 -10.200 23.988 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.197 -11.157 23.450 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.469 -9.873 22.289 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.235 -8.167 24.115 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.954 -9.448 25.278 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.195 -10.344 24.967 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.477 -9.328 23.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.462 -8.584 25.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.601 -7.415 24.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.884 -8.164 26.228 1.00 0.00 H new ATOM 1097 N ARG A 73 8.812 -10.115 20.673 1.00 0.00 N ATOM 1098 CA ARG A 73 7.454 -9.703 20.271 1.00 0.00 C ATOM 1099 C ARG A 73 7.239 -8.218 20.589 1.00 0.00 C ATOM 1100 O ARG A 73 7.637 -7.728 21.654 1.00 0.00 O ATOM 1101 CB ARG A 73 6.313 -10.569 20.846 1.00 0.00 C ATOM 1102 CG ARG A 73 6.409 -12.041 20.410 1.00 0.00 C ATOM 1103 CD ARG A 73 5.222 -12.856 20.926 1.00 0.00 C ATOM 1104 NE ARG A 73 5.338 -14.267 20.521 1.00 0.00 N ATOM 1105 CZ ARG A 73 4.459 -15.231 20.775 1.00 0.00 C ATOM 1106 NH1 ARG A 73 3.351 -15.009 21.456 1.00 0.00 N ATOM 1107 NH2 ARG A 73 4.680 -16.453 20.341 1.00 0.00 N ATOM 0 H ARG A 73 9.456 -9.989 19.892 1.00 0.00 H new ATOM 0 HA ARG A 73 7.402 -9.864 19.194 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.334 -10.514 21.934 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.355 -10.161 20.525 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.446 -12.098 19.322 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.338 -12.472 20.783 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.174 -12.788 22.013 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.293 -12.438 20.539 1.00 0.00 H new ATOM 0 HE ARG A 73 6.172 -14.529 19.996 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.147 -14.073 21.806 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.699 -15.773 21.632 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.526 -16.660 19.810 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.006 -17.193 20.536 1.00 0.00 H new ATOM 1121 N LEU A 74 6.591 -7.500 19.668 1.00 0.00 N ATOM 1122 CA LEU A 74 6.327 -6.062 19.748 1.00 0.00 C ATOM 1123 C LEU A 74 5.168 -5.775 20.713 1.00 0.00 C ATOM 1124 O LEU A 74 4.020 -5.592 20.309 1.00 0.00 O ATOM 1125 CB LEU A 74 6.116 -5.531 18.313 1.00 0.00 C ATOM 1126 CG LEU A 74 5.936 -4.004 18.187 1.00 0.00 C ATOM 1127 CD1 LEU A 74 7.122 -3.222 18.762 1.00 0.00 C ATOM 1128 CD2 LEU A 74 5.757 -3.631 16.709 1.00 0.00 C ATOM 0 H LEU A 74 6.222 -7.920 18.815 1.00 0.00 H new ATOM 0 HA LEU A 74 7.175 -5.524 20.171 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.970 -5.829 17.705 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.238 -6.018 17.890 1.00 0.00 H new ATOM 0 HG LEU A 74 5.052 -3.734 18.765 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.943 -2.153 18.647 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.236 -3.459 19.820 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.032 -3.497 18.229 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.630 -2.552 16.619 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.638 -3.941 16.146 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.876 -4.135 16.311 1.00 0.00 H new ATOM 1140 N SER A 75 5.462 -5.705 22.010 1.00 0.00 N ATOM 1141 CA SER A 75 4.478 -5.439 23.075 1.00 0.00 C ATOM 1142 C SER A 75 3.830 -4.042 23.003 1.00 0.00 C ATOM 1143 O SER A 75 2.774 -3.798 23.585 1.00 0.00 O ATOM 1144 CB SER A 75 5.134 -5.658 24.444 1.00 0.00 C ATOM 1145 OG SER A 75 6.306 -4.859 24.600 1.00 0.00 O ATOM 0 H SER A 75 6.410 -5.833 22.365 1.00 0.00 H new ATOM 0 HA SER A 75 3.661 -6.145 22.926 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.421 -5.416 25.232 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.393 -6.711 24.560 1.00 0.00 H new ATOM 0 HG SER A 75 6.698 -5.022 25.483 1.00 0.00 H new ATOM 1151 N LYS A 76 4.426 -3.136 22.225 1.00 0.00 N ATOM 1152 CA LYS A 76 3.887 -1.810 21.891 1.00 0.00 C ATOM 1153 C LYS A 76 2.736 -1.868 20.859 1.00 0.00 C ATOM 1154 O LYS A 76 1.997 -0.889 20.703 1.00 0.00 O ATOM 1155 CB LYS A 76 5.051 -0.919 21.415 1.00 0.00 C ATOM 1156 CG LYS A 76 6.041 -0.613 22.560 1.00 0.00 C ATOM 1157 CD LYS A 76 7.323 0.108 22.114 1.00 0.00 C ATOM 1158 CE LYS A 76 7.050 1.476 21.474 1.00 0.00 C ATOM 1159 NZ LYS A 76 8.312 2.230 21.273 1.00 0.00 N ATOM 0 H LYS A 76 5.333 -3.310 21.792 1.00 0.00 H new ATOM 0 HA LYS A 76 3.436 -1.379 22.785 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.579 -1.414 20.600 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.655 0.015 21.017 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.536 -0.001 23.307 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.315 -1.549 23.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.977 0.240 22.976 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.857 -0.520 21.401 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.547 1.340 20.517 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.376 2.051 22.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.143 3.023 20.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.646 2.598 22.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.033 1.599 20.870 1.00 0.00 H new ATOM 1173 N ALA A 77 2.567 -3.005 20.169 1.00 0.00 N ATOM 1174 CA ALA A 77 1.524 -3.253 19.162 1.00 0.00 C ATOM 1175 C ALA A 77 0.567 -4.418 19.518 1.00 0.00 C ATOM 1176 O ALA A 77 -0.596 -4.390 19.105 1.00 0.00 O ATOM 1177 CB ALA A 77 2.226 -3.520 17.824 1.00 0.00 C ATOM 0 H ALA A 77 3.178 -3.811 20.302 1.00 0.00 H new ATOM 0 HA ALA A 77 0.885 -2.371 19.113 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.479 -3.708 17.053 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.823 -2.651 17.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.875 -4.390 17.921 1.00 0.00 H new ATOM 1183 N ARG A 78 1.037 -5.432 20.259 1.00 0.00 N ATOM 1184 CA ARG A 78 0.264 -6.623 20.676 1.00 0.00 C ATOM 1185 C ARG A 78 -0.981 -6.270 21.510 1.00 0.00 C ATOM 1186 O ARG A 78 -0.850 -5.530 22.514 1.00 0.00 O ATOM 1187 CB ARG A 78 1.191 -7.619 21.406 1.00 0.00 C ATOM 1188 CG ARG A 78 0.520 -8.993 21.594 1.00 0.00 C ATOM 1189 CD ARG A 78 1.438 -9.998 22.311 1.00 0.00 C ATOM 1190 NE ARG A 78 1.662 -9.653 23.732 1.00 0.00 N ATOM 1191 CZ ARG A 78 0.863 -9.917 24.748 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -0.281 -10.521 24.600 1.00 0.00 N ATOM 1193 NH2 ARG A 78 1.195 -9.563 25.957 1.00 0.00 N ATOM 1194 OXT ARG A 78 -2.086 -6.758 21.169 1.00 0.00 O ATOM 0 H ARG A 78 1.998 -5.451 20.599 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.122 -7.101 19.776 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.114 -7.740 20.838 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.466 -7.213 22.379 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.399 -8.871 22.167 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.237 -9.393 20.620 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.999 -10.994 22.248 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.398 -10.039 21.796 1.00 0.00 H new ATOM 0 HE ARG A 78 2.527 -9.158 23.950 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.589 -10.809 23.671 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.869 -10.706 25.413 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.077 -9.079 26.122 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.573 -9.770 26.738 1.00 0.00 H new TER 1208 ARG A 78