USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.187 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 40:sc= 0.546 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= -0.06 (180deg=-0.611) USER MOD Single : A 40 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.84 X(o=-3.8,f=-3.9) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.612 K(o=-0.61,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.0982 K(o=-0.098,f=-0.66) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.154 USER MOD Single : A 82 GLN : amide:sc= -0.191 K(o=-0.19,f=-4.5!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 20:sc= 0.2! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.765 26.979 42.951 1.00 0.00 N ATOM 2 CA GLY A 1 -13.426 27.502 42.753 1.00 0.00 C ATOM 3 C GLY A 1 -12.585 26.618 41.853 1.00 0.00 C ATOM 4 O GLY A 1 -11.698 25.906 42.323 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.299 27.619 43.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.248 26.905 42.033 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.709 26.038 43.389 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.490 28.500 42.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.933 27.605 43.720 1.00 0.00 H new ATOM 8 N SER A 2 -12.866 26.662 40.554 1.00 0.00 N ATOM 9 CA SER A 2 -12.133 25.855 39.586 1.00 0.00 C ATOM 10 C SER A 2 -11.546 26.730 38.483 1.00 0.00 C ATOM 11 O SER A 2 -12.198 27.653 37.995 1.00 0.00 O ATOM 12 CB SER A 2 -13.050 24.793 38.977 1.00 0.00 C ATOM 13 OG SER A 2 -14.409 25.187 39.054 1.00 0.00 O ATOM 0 H SER A 2 -13.596 27.248 40.148 1.00 0.00 H new ATOM 0 HA SER A 2 -11.314 25.361 40.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.775 24.625 37.936 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.912 23.846 39.500 1.00 0.00 H new ATOM 0 HG SER A 2 -14.974 24.492 38.657 1.00 0.00 H new ATOM 19 N SER A 3 -10.310 26.433 38.095 1.00 0.00 N ATOM 20 CA SER A 3 -9.633 27.194 37.052 1.00 0.00 C ATOM 21 C SER A 3 -9.309 26.306 35.854 1.00 0.00 C ATOM 22 O SER A 3 -9.173 25.091 35.987 1.00 0.00 O ATOM 23 CB SER A 3 -8.348 27.819 37.600 1.00 0.00 C ATOM 24 OG SER A 3 -7.689 26.934 38.489 1.00 0.00 O ATOM 0 H SER A 3 -9.757 25.671 38.487 1.00 0.00 H new ATOM 0 HA SER A 3 -10.304 27.988 36.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.683 28.073 36.775 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.584 28.749 38.117 1.00 0.00 H new ATOM 0 HG SER A 3 -6.870 27.356 38.824 1.00 0.00 H new ATOM 30 N GLY A 4 -9.187 26.924 34.683 1.00 0.00 N ATOM 31 CA GLY A 4 -8.880 26.175 33.478 1.00 0.00 C ATOM 32 C GLY A 4 -8.277 27.045 32.393 1.00 0.00 C ATOM 33 O GLY A 4 -8.614 28.223 32.273 1.00 0.00 O ATOM 0 H GLY A 4 -9.295 27.929 34.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.187 25.370 33.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.791 25.709 33.102 1.00 0.00 H new ATOM 37 N SER A 5 -7.381 26.464 31.601 1.00 0.00 N ATOM 38 CA SER A 5 -6.725 27.195 30.524 1.00 0.00 C ATOM 39 C SER A 5 -6.743 26.388 29.229 1.00 0.00 C ATOM 40 O SER A 5 -6.684 25.159 29.251 1.00 0.00 O ATOM 41 CB SER A 5 -5.283 27.529 30.910 1.00 0.00 C ATOM 42 OG SER A 5 -5.156 27.698 32.312 1.00 0.00 O ATOM 0 H SER A 5 -7.093 25.489 31.685 1.00 0.00 H new ATOM 0 HA SER A 5 -7.274 28.122 30.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.620 26.732 30.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.969 28.440 30.401 1.00 0.00 H new ATOM 0 HG SER A 5 -4.225 27.909 32.533 1.00 0.00 H new ATOM 48 N SER A 6 -6.824 27.089 28.103 1.00 0.00 N ATOM 49 CA SER A 6 -6.854 26.439 26.798 1.00 0.00 C ATOM 50 C SER A 6 -6.335 27.377 25.712 1.00 0.00 C ATOM 51 O SER A 6 -6.801 28.508 25.579 1.00 0.00 O ATOM 52 CB SER A 6 -8.276 25.988 26.462 1.00 0.00 C ATOM 53 OG SER A 6 -9.084 25.939 27.625 1.00 0.00 O ATOM 0 H SER A 6 -6.870 28.107 28.068 1.00 0.00 H new ATOM 0 HA SER A 6 -6.204 25.565 26.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.717 26.673 25.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.248 25.004 25.993 1.00 0.00 H new ATOM 0 HG SER A 6 -9.988 25.649 27.383 1.00 0.00 H new ATOM 59 N GLY A 7 -5.367 26.897 24.937 1.00 0.00 N ATOM 60 CA GLY A 7 -4.801 27.704 23.873 1.00 0.00 C ATOM 61 C GLY A 7 -4.345 26.870 22.692 1.00 0.00 C ATOM 62 O GLY A 7 -5.135 26.131 22.103 1.00 0.00 O ATOM 0 H GLY A 7 -4.965 25.964 25.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.543 28.429 23.537 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.955 28.271 24.262 1.00 0.00 H new ATOM 66 N HIS A 8 -3.068 26.988 22.343 1.00 0.00 N ATOM 67 CA HIS A 8 -2.509 26.239 21.224 1.00 0.00 C ATOM 68 C HIS A 8 -1.645 25.084 21.720 1.00 0.00 C ATOM 69 O HIS A 8 -0.421 25.195 21.787 1.00 0.00 O ATOM 70 CB HIS A 8 -1.681 27.161 20.328 1.00 0.00 C ATOM 71 CG HIS A 8 -2.511 28.096 19.501 1.00 0.00 C ATOM 72 ND1 HIS A 8 -3.051 27.744 18.282 1.00 0.00 N ATOM 73 CD2 HIS A 8 -2.893 29.374 19.726 1.00 0.00 C ATOM 74 CE1 HIS A 8 -3.728 28.767 17.792 1.00 0.00 C ATOM 75 NE2 HIS A 8 -3.648 29.769 18.649 1.00 0.00 N ATOM 0 H HIS A 8 -2.401 27.595 22.819 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.336 25.829 20.645 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.002 27.744 20.950 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.064 26.553 19.666 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.650 29.972 20.592 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.257 28.782 16.851 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.077 30.687 18.530 1.00 0.00 H new ATOM 83 N SER A 9 -2.291 23.975 22.068 1.00 0.00 N ATOM 84 CA SER A 9 -1.582 22.801 22.563 1.00 0.00 C ATOM 85 C SER A 9 -1.353 21.792 21.442 1.00 0.00 C ATOM 86 O SER A 9 -2.112 21.740 20.475 1.00 0.00 O ATOM 87 CB SER A 9 -2.368 22.147 23.701 1.00 0.00 C ATOM 88 OG SER A 9 -2.080 22.768 24.942 1.00 0.00 O ATOM 0 H SER A 9 -3.304 23.865 22.016 1.00 0.00 H new ATOM 0 HA SER A 9 -0.612 23.125 22.940 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.436 22.216 23.496 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.121 21.087 23.755 1.00 0.00 H new ATOM 0 HG SER A 9 -2.596 22.333 25.653 1.00 0.00 H new ATOM 94 N SER A 10 -0.301 20.991 21.581 1.00 0.00 N ATOM 95 CA SER A 10 0.032 19.986 20.579 1.00 0.00 C ATOM 96 C SER A 10 0.270 20.633 19.218 1.00 0.00 C ATOM 97 O SER A 10 -0.614 20.646 18.362 1.00 0.00 O ATOM 98 CB SER A 10 -1.089 18.949 20.475 1.00 0.00 C ATOM 99 OG SER A 10 -0.770 17.946 19.526 1.00 0.00 O ATOM 0 H SER A 10 0.335 21.019 22.378 1.00 0.00 H new ATOM 0 HA SER A 10 0.951 19.488 20.890 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.257 18.491 21.450 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.019 19.441 20.190 1.00 0.00 H new ATOM 0 HG SER A 10 -1.501 17.295 19.480 1.00 0.00 H new ATOM 105 N ALA A 11 1.471 21.169 19.026 1.00 0.00 N ATOM 106 CA ALA A 11 1.827 21.816 17.770 1.00 0.00 C ATOM 107 C ALA A 11 3.281 21.541 17.404 1.00 0.00 C ATOM 108 O ALA A 11 4.199 22.026 18.066 1.00 0.00 O ATOM 109 CB ALA A 11 1.577 23.314 17.858 1.00 0.00 C ATOM 0 H ALA A 11 2.214 21.168 19.725 1.00 0.00 H new ATOM 0 HA ALA A 11 1.197 21.400 16.984 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.847 23.784 16.913 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.522 23.495 18.065 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.182 23.737 18.660 1.00 0.00 H new ATOM 115 N GLN A 12 3.484 20.760 16.348 1.00 0.00 N ATOM 116 CA GLN A 12 4.828 20.420 15.896 1.00 0.00 C ATOM 117 C GLN A 12 4.876 20.295 14.377 1.00 0.00 C ATOM 118 O GLN A 12 3.899 20.591 13.688 1.00 0.00 O ATOM 119 CB GLN A 12 5.291 19.114 16.542 1.00 0.00 C ATOM 120 CG GLN A 12 6.653 19.214 17.210 1.00 0.00 C ATOM 121 CD GLN A 12 7.130 17.887 17.765 1.00 0.00 C ATOM 122 OE1 GLN A 12 7.812 17.123 17.081 1.00 0.00 O ATOM 123 NE2 GLN A 12 6.773 17.604 19.012 1.00 0.00 N ATOM 0 H GLN A 12 2.735 20.351 15.789 1.00 0.00 H new ATOM 0 HA GLN A 12 5.500 21.224 16.197 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.554 18.804 17.283 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.325 18.334 15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.381 19.584 16.488 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.605 19.945 18.017 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.207 18.266 19.543 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.065 16.725 19.439 1.00 0.00 H new ATOM 132 N PHE A 13 6.019 19.856 13.860 1.00 0.00 N ATOM 133 CA PHE A 13 6.195 19.693 12.422 1.00 0.00 C ATOM 134 C PHE A 13 7.109 18.510 12.116 1.00 0.00 C ATOM 135 O PHE A 13 8.226 18.426 12.628 1.00 0.00 O ATOM 136 CB PHE A 13 6.774 20.970 11.809 1.00 0.00 C ATOM 137 CG PHE A 13 7.973 21.497 12.544 1.00 0.00 C ATOM 138 CD1 PHE A 13 7.819 22.362 13.616 1.00 0.00 C ATOM 139 CD2 PHE A 13 9.253 21.128 12.165 1.00 0.00 C ATOM 140 CE1 PHE A 13 8.921 22.850 14.294 1.00 0.00 C ATOM 141 CE2 PHE A 13 10.358 21.612 12.839 1.00 0.00 C ATOM 142 CZ PHE A 13 10.192 22.473 13.905 1.00 0.00 C ATOM 0 H PHE A 13 6.837 19.607 14.416 1.00 0.00 H new ATOM 0 HA PHE A 13 5.217 19.498 11.982 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.050 20.773 10.773 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.001 21.738 11.792 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.827 22.658 13.925 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.389 20.454 11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.788 23.525 15.127 1.00 0.00 H new ATOM 0 HE2 PHE A 13 11.351 21.317 12.532 1.00 0.00 H new ATOM 0 HZ PHE A 13 11.054 22.851 14.434 1.00 0.00 H new ATOM 152 N ILE A 14 6.626 17.597 11.280 1.00 0.00 N ATOM 153 CA ILE A 14 7.399 16.419 10.905 1.00 0.00 C ATOM 154 C ILE A 14 7.963 16.557 9.496 1.00 0.00 C ATOM 155 O ILE A 14 7.375 17.222 8.643 1.00 0.00 O ATOM 156 CB ILE A 14 6.546 15.139 10.982 1.00 0.00 C ATOM 157 CG1 ILE A 14 5.797 15.078 12.314 1.00 0.00 C ATOM 158 CG2 ILE A 14 7.422 13.908 10.804 1.00 0.00 C ATOM 159 CD1 ILE A 14 4.369 15.571 12.228 1.00 0.00 C ATOM 0 H ILE A 14 5.703 17.650 10.849 1.00 0.00 H new ATOM 0 HA ILE A 14 8.221 16.341 11.616 1.00 0.00 H new ATOM 0 HB ILE A 14 5.813 15.160 10.176 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.797 14.049 12.674 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.335 15.674 13.051 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.805 13.011 10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.914 13.949 9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.175 13.881 11.591 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.899 15.499 13.209 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.362 16.610 11.898 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.815 14.960 11.515 1.00 0.00 H new ATOM 171 N ASP A 15 9.106 15.924 9.258 1.00 0.00 N ATOM 172 CA ASP A 15 9.750 15.973 7.950 1.00 0.00 C ATOM 173 C ASP A 15 10.984 15.076 7.918 1.00 0.00 C ATOM 174 O ASP A 15 12.115 15.560 7.929 1.00 0.00 O ATOM 175 CB ASP A 15 10.140 17.411 7.603 1.00 0.00 C ATOM 176 CG ASP A 15 10.536 18.214 8.826 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.538 17.848 9.476 1.00 0.00 O ATOM 178 OD2 ASP A 15 9.845 19.207 9.134 1.00 0.00 O ATOM 0 H ASP A 15 9.606 15.371 9.954 1.00 0.00 H new ATOM 0 HA ASP A 15 9.039 15.609 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.969 17.399 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.303 17.901 7.105 1.00 0.00 H new ATOM 183 N SER A 16 10.757 13.767 7.878 1.00 0.00 N ATOM 184 CA SER A 16 11.850 12.803 7.849 1.00 0.00 C ATOM 185 C SER A 16 11.354 11.432 7.397 1.00 0.00 C ATOM 186 O SER A 16 10.168 11.121 7.512 1.00 0.00 O ATOM 187 CB SER A 16 12.498 12.693 9.231 1.00 0.00 C ATOM 188 OG SER A 16 13.619 13.553 9.338 1.00 0.00 O ATOM 0 H SER A 16 9.826 13.350 7.865 1.00 0.00 H new ATOM 0 HA SER A 16 12.593 13.155 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.768 12.945 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.807 11.663 9.410 1.00 0.00 H new ATOM 0 HG SER A 16 13.421 14.405 8.897 1.00 0.00 H new ATOM 194 N TYR A 17 12.270 10.619 6.884 1.00 0.00 N ATOM 195 CA TYR A 17 11.926 9.283 6.412 1.00 0.00 C ATOM 196 C TYR A 17 12.781 8.224 7.103 1.00 0.00 C ATOM 197 O TYR A 17 13.988 8.139 6.873 1.00 0.00 O ATOM 198 CB TYR A 17 12.109 9.192 4.896 1.00 0.00 C ATOM 199 CG TYR A 17 11.531 10.370 4.145 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.240 10.816 4.401 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.274 11.036 3.179 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.707 11.892 3.717 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.751 12.113 2.491 1.00 0.00 C ATOM 204 CZ TYR A 17 10.467 12.537 2.763 1.00 0.00 C ATOM 205 OH TYR A 17 9.941 13.609 2.079 1.00 0.00 O ATOM 0 H TYR A 17 13.256 10.861 6.784 1.00 0.00 H new ATOM 0 HA TYR A 17 10.880 9.097 6.657 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.173 9.115 4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.640 8.276 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.643 10.313 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.279 10.706 2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.702 12.226 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.344 12.620 1.744 1.00 0.00 H new ATOM 0 HH TYR A 17 10.605 13.950 1.444 1.00 0.00 H new ATOM 215 N ILE A 18 12.146 7.421 7.949 1.00 0.00 N ATOM 216 CA ILE A 18 12.847 6.367 8.672 1.00 0.00 C ATOM 217 C ILE A 18 12.342 4.988 8.260 1.00 0.00 C ATOM 218 O ILE A 18 11.135 4.749 8.200 1.00 0.00 O ATOM 219 CB ILE A 18 12.686 6.526 10.196 1.00 0.00 C ATOM 220 CG1 ILE A 18 12.976 7.969 10.613 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.605 5.562 10.930 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.383 8.420 10.291 1.00 0.00 C ATOM 0 H ILE A 18 11.148 7.480 8.151 1.00 0.00 H new ATOM 0 HA ILE A 18 13.902 6.457 8.415 1.00 0.00 H new ATOM 0 HB ILE A 18 11.656 6.290 10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.268 8.632 10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.807 8.070 11.685 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.479 5.687 12.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.355 4.538 10.652 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.640 5.769 10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.517 9.452 10.614 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.098 7.781 10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.550 8.352 9.216 1.00 0.00 H new ATOM 234 N CYS A 19 13.273 4.083 7.979 1.00 0.00 N ATOM 235 CA CYS A 19 12.924 2.727 7.574 1.00 0.00 C ATOM 236 C CYS A 19 12.027 2.062 8.615 1.00 0.00 C ATOM 237 O CYS A 19 12.076 2.401 9.797 1.00 0.00 O ATOM 238 CB CYS A 19 14.190 1.892 7.368 1.00 0.00 C ATOM 239 SG CYS A 19 13.901 0.296 6.538 1.00 0.00 S ATOM 0 H CYS A 19 14.276 4.264 8.024 1.00 0.00 H new ATOM 0 HA CYS A 19 12.378 2.785 6.633 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.903 2.471 6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.652 1.707 8.338 1.00 0.00 H new ATOM 244 N GLN A 20 11.210 1.115 8.165 1.00 0.00 N ATOM 245 CA GLN A 20 10.303 0.403 9.057 1.00 0.00 C ATOM 246 C GLN A 20 10.787 -1.022 9.304 1.00 0.00 C ATOM 247 O GLN A 20 10.001 -1.906 9.644 1.00 0.00 O ATOM 248 CB GLN A 20 8.891 0.380 8.470 1.00 0.00 C ATOM 249 CG GLN A 20 8.080 1.627 8.785 1.00 0.00 C ATOM 250 CD GLN A 20 7.523 1.621 10.195 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.332 0.563 10.794 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.259 2.806 10.732 1.00 0.00 N ATOM 0 H GLN A 20 11.158 0.823 7.189 1.00 0.00 H new ATOM 0 HA GLN A 20 10.284 0.930 10.011 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.958 0.264 7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.362 -0.493 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.708 2.508 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.258 1.710 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.433 3.658 10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.882 2.865 11.678 1.00 0.00 H new ATOM 261 N VAL A 21 12.087 -1.238 9.129 1.00 0.00 N ATOM 262 CA VAL A 21 12.677 -2.556 9.333 1.00 0.00 C ATOM 263 C VAL A 21 13.953 -2.464 10.161 1.00 0.00 C ATOM 264 O VAL A 21 14.188 -3.280 11.053 1.00 0.00 O ATOM 265 CB VAL A 21 12.997 -3.241 7.991 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.611 -4.613 8.225 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.744 -3.348 7.135 1.00 0.00 C ATOM 0 H VAL A 21 12.751 -0.518 8.847 1.00 0.00 H new ATOM 0 HA VAL A 21 11.941 -3.153 9.871 1.00 0.00 H new ATOM 0 HB VAL A 21 13.724 -2.630 7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.830 -5.082 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.533 -4.506 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.910 -5.235 8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.989 -3.834 6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.993 -3.936 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.352 -2.350 6.938 1.00 0.00 H new ATOM 277 N CYS A 22 14.777 -1.465 9.861 1.00 0.00 N ATOM 278 CA CYS A 22 16.031 -1.266 10.578 1.00 0.00 C ATOM 279 C CYS A 22 16.012 0.051 11.349 1.00 0.00 C ATOM 280 O CYS A 22 16.819 0.263 12.254 1.00 0.00 O ATOM 281 CB CYS A 22 17.208 -1.281 9.601 1.00 0.00 C ATOM 282 SG CYS A 22 17.165 0.055 8.363 1.00 0.00 S ATOM 0 H CYS A 22 14.599 -0.781 9.126 1.00 0.00 H new ATOM 0 HA CYS A 22 16.148 -2.083 11.290 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.137 -1.208 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.225 -2.240 9.084 1.00 0.00 H new ATOM 287 N SER A 23 15.086 0.931 10.984 1.00 0.00 N ATOM 288 CA SER A 23 14.964 2.229 11.639 1.00 0.00 C ATOM 289 C SER A 23 16.215 3.072 11.412 1.00 0.00 C ATOM 290 O SER A 23 16.928 3.412 12.356 1.00 0.00 O ATOM 291 CB SER A 23 14.724 2.046 13.139 1.00 0.00 C ATOM 292 OG SER A 23 13.710 1.086 13.380 1.00 0.00 O ATOM 0 H SER A 23 14.409 0.770 10.238 1.00 0.00 H new ATOM 0 HA SER A 23 14.112 2.750 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.649 1.732 13.623 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.440 3.000 13.584 1.00 0.00 H new ATOM 0 HG SER A 23 13.577 0.986 14.346 1.00 0.00 H new ATOM 298 N ARG A 24 16.476 3.404 10.152 1.00 0.00 N ATOM 299 CA ARG A 24 17.641 4.206 9.798 1.00 0.00 C ATOM 300 C ARG A 24 17.225 5.469 9.049 1.00 0.00 C ATOM 301 O ARG A 24 16.040 5.701 8.814 1.00 0.00 O ATOM 302 CB ARG A 24 18.609 3.388 8.942 1.00 0.00 C ATOM 303 CG ARG A 24 19.597 2.567 9.755 1.00 0.00 C ATOM 304 CD ARG A 24 20.629 3.452 10.436 1.00 0.00 C ATOM 305 NE ARG A 24 21.286 2.771 11.549 1.00 0.00 N ATOM 306 CZ ARG A 24 22.008 3.398 12.470 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.166 4.713 12.413 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.575 2.708 13.452 1.00 0.00 N ATOM 0 H ARG A 24 15.896 3.130 9.359 1.00 0.00 H new ATOM 0 HA ARG A 24 18.142 4.500 10.720 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.036 2.719 8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.162 4.063 8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.060 1.989 10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.101 1.853 9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.378 3.761 9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.145 4.358 10.800 1.00 0.00 H new ATOM 0 HE ARG A 24 21.185 1.759 11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 24 21.732 5.247 11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.721 5.191 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.456 1.696 13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.130 3.190 14.160 1.00 0.00 H new ATOM 322 N GLY A 25 18.210 6.282 8.678 1.00 0.00 N ATOM 323 CA GLY A 25 17.926 7.511 7.961 1.00 0.00 C ATOM 324 C GLY A 25 18.935 7.789 6.865 1.00 0.00 C ATOM 325 O GLY A 25 18.574 8.246 5.780 1.00 0.00 O ATOM 0 H GLY A 25 19.199 6.111 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.928 7.452 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.918 8.344 8.663 1.00 0.00 H new ATOM 329 N ASP A 26 20.204 7.514 7.147 1.00 0.00 N ATOM 330 CA ASP A 26 21.269 7.738 6.177 1.00 0.00 C ATOM 331 C ASP A 26 21.027 6.927 4.908 1.00 0.00 C ATOM 332 O ASP A 26 21.547 7.256 3.842 1.00 0.00 O ATOM 333 CB ASP A 26 22.625 7.369 6.782 1.00 0.00 C ATOM 334 CG ASP A 26 23.579 8.546 6.826 1.00 0.00 C ATOM 335 OD1 ASP A 26 24.094 8.933 5.756 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.810 9.081 7.931 1.00 0.00 O ATOM 0 H ASP A 26 20.520 7.135 8.040 1.00 0.00 H new ATOM 0 HA ASP A 26 21.272 8.796 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.477 6.987 7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.073 6.564 6.199 1.00 0.00 H new ATOM 341 N GLU A 27 20.235 5.866 5.031 1.00 0.00 N ATOM 342 CA GLU A 27 19.927 5.008 3.893 1.00 0.00 C ATOM 343 C GLU A 27 18.749 5.563 3.097 1.00 0.00 C ATOM 344 O GLU A 27 18.334 4.981 2.095 1.00 0.00 O ATOM 345 CB GLU A 27 19.611 3.588 4.368 1.00 0.00 C ATOM 346 CG GLU A 27 20.848 2.743 4.622 1.00 0.00 C ATOM 347 CD GLU A 27 21.577 2.377 3.344 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.139 2.820 2.262 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.588 1.648 3.426 1.00 0.00 O ATOM 0 H GLU A 27 19.796 5.581 5.906 1.00 0.00 H new ATOM 0 HA GLU A 27 20.802 4.980 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.024 3.643 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.990 3.093 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.526 3.287 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.559 1.831 5.145 1.00 0.00 H new ATOM 356 N ASP A 28 18.216 6.692 3.550 1.00 0.00 N ATOM 357 CA ASP A 28 17.087 7.327 2.881 1.00 0.00 C ATOM 358 C ASP A 28 17.351 7.469 1.385 1.00 0.00 C ATOM 359 O ASP A 28 16.421 7.492 0.579 1.00 0.00 O ATOM 360 CB ASP A 28 16.809 8.700 3.495 1.00 0.00 C ATOM 361 CG ASP A 28 17.944 9.678 3.265 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.114 9.286 3.462 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.664 10.834 2.887 1.00 0.00 O ATOM 0 H ASP A 28 18.548 7.186 4.378 1.00 0.00 H new ATOM 0 HA ASP A 28 16.212 6.692 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.892 9.106 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.641 8.588 4.566 1.00 0.00 H new ATOM 368 N ASP A 29 18.625 7.566 1.022 1.00 0.00 N ATOM 369 CA ASP A 29 19.013 7.706 -0.377 1.00 0.00 C ATOM 370 C ASP A 29 18.356 6.628 -1.233 1.00 0.00 C ATOM 371 O ASP A 29 18.102 6.832 -2.421 1.00 0.00 O ATOM 372 CB ASP A 29 20.534 7.630 -0.517 1.00 0.00 C ATOM 373 CG ASP A 29 21.111 8.837 -1.230 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.774 9.974 -0.839 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.901 8.644 -2.178 1.00 0.00 O ATOM 0 H ASP A 29 19.407 7.550 1.677 1.00 0.00 H new ATOM 0 HA ASP A 29 18.673 8.680 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.983 7.547 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.801 6.726 -1.065 1.00 0.00 H new ATOM 380 N LYS A 30 18.084 5.479 -0.624 1.00 0.00 N ATOM 381 CA LYS A 30 17.456 4.368 -1.329 1.00 0.00 C ATOM 382 C LYS A 30 16.172 3.935 -0.628 1.00 0.00 C ATOM 383 O LYS A 30 15.816 2.756 -0.635 1.00 0.00 O ATOM 384 CB LYS A 30 18.423 3.185 -1.421 1.00 0.00 C ATOM 385 CG LYS A 30 19.599 3.432 -2.350 1.00 0.00 C ATOM 386 CD LYS A 30 20.577 2.269 -2.333 1.00 0.00 C ATOM 387 CE LYS A 30 20.922 1.810 -3.741 1.00 0.00 C ATOM 388 NZ LYS A 30 21.354 2.944 -4.604 1.00 0.00 N ATOM 0 H LYS A 30 18.289 5.293 0.358 1.00 0.00 H new ATOM 0 HA LYS A 30 17.204 4.704 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.800 2.956 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.877 2.306 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.235 3.588 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.113 4.346 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.488 2.566 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.146 1.438 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.716 1.065 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.054 1.324 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.028 2.600 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.525 3.353 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.811 3.672 -4.018 1.00 0.00 H new ATOM 402 N LEU A 31 15.479 4.895 -0.026 1.00 0.00 N ATOM 403 CA LEU A 31 14.233 4.614 0.678 1.00 0.00 C ATOM 404 C LEU A 31 13.041 4.702 -0.270 1.00 0.00 C ATOM 405 O LEU A 31 12.936 5.635 -1.067 1.00 0.00 O ATOM 406 CB LEU A 31 14.049 5.590 1.840 1.00 0.00 C ATOM 407 CG LEU A 31 14.263 5.015 3.241 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.041 6.086 4.298 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.339 3.829 3.478 1.00 0.00 C ATOM 0 H LEU A 31 15.759 5.876 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 31 14.287 3.599 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.739 6.422 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.040 6.000 1.788 1.00 0.00 H new ATOM 0 HG LEU A 31 15.293 4.668 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.198 5.658 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.744 6.904 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.022 6.465 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.505 3.433 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.302 4.151 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.547 3.053 2.742 1.00 0.00 H new ATOM 421 N LEU A 32 12.144 3.727 -0.176 1.00 0.00 N ATOM 422 CA LEU A 32 10.956 3.695 -1.023 1.00 0.00 C ATOM 423 C LEU A 32 9.756 4.298 -0.300 1.00 0.00 C ATOM 424 O LEU A 32 9.718 4.347 0.929 1.00 0.00 O ATOM 425 CB LEU A 32 10.644 2.258 -1.444 1.00 0.00 C ATOM 426 CG LEU A 32 11.540 1.668 -2.533 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.938 1.412 -1.993 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.935 0.385 -3.084 1.00 0.00 C ATOM 0 H LEU A 32 12.216 2.948 0.478 1.00 0.00 H new ATOM 0 HA LEU A 32 11.158 4.291 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.710 1.620 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.611 2.218 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 32 11.614 2.389 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.562 0.992 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.372 2.350 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.884 0.710 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.586 -0.021 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.830 -0.343 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.955 0.599 -3.510 1.00 0.00 H new ATOM 440 N PHE A 33 8.775 4.754 -1.073 1.00 0.00 N ATOM 441 CA PHE A 33 7.572 5.353 -0.506 1.00 0.00 C ATOM 442 C PHE A 33 6.329 4.566 -0.914 1.00 0.00 C ATOM 443 O PHE A 33 6.114 4.292 -2.095 1.00 0.00 O ATOM 444 CB PHE A 33 7.439 6.808 -0.959 1.00 0.00 C ATOM 445 CG PHE A 33 8.716 7.591 -0.844 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.370 7.700 0.372 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.263 8.216 -1.953 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.545 8.420 0.480 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.438 8.937 -1.851 1.00 0.00 C ATOM 450 CZ PHE A 33 11.080 9.038 -0.633 1.00 0.00 C ATOM 0 H PHE A 33 8.790 4.720 -2.092 1.00 0.00 H new ATOM 0 HA PHE A 33 7.659 5.324 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.102 6.828 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.668 7.297 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.957 7.217 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.765 8.139 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.044 8.499 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.853 9.421 -2.723 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.999 9.599 -0.551 1.00 0.00 H new ATOM 460 N CYS A 34 5.515 4.206 0.071 1.00 0.00 N ATOM 461 CA CYS A 34 4.294 3.450 -0.182 1.00 0.00 C ATOM 462 C CYS A 34 3.150 4.381 -0.575 1.00 0.00 C ATOM 463 O CYS A 34 2.980 5.452 0.007 1.00 0.00 O ATOM 464 CB CYS A 34 3.905 2.639 1.055 1.00 0.00 C ATOM 465 SG CYS A 34 2.272 1.840 0.937 1.00 0.00 S ATOM 0 H CYS A 34 5.678 4.426 1.054 1.00 0.00 H new ATOM 0 HA CYS A 34 4.484 2.767 -1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.661 1.873 1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.914 3.296 1.925 1.00 0.00 H new ATOM 470 N ASP A 35 2.368 3.963 -1.564 1.00 0.00 N ATOM 471 CA ASP A 35 1.239 4.757 -2.034 1.00 0.00 C ATOM 472 C ASP A 35 -0.036 4.385 -1.284 1.00 0.00 C ATOM 473 O ASP A 35 -1.092 4.198 -1.889 1.00 0.00 O ATOM 474 CB ASP A 35 1.038 4.558 -3.537 1.00 0.00 C ATOM 475 CG ASP A 35 -0.003 5.499 -4.112 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.184 6.728 -4.001 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.004 5.005 -4.671 1.00 0.00 O ATOM 0 H ASP A 35 2.495 3.079 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 35 1.460 5.807 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.987 4.713 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.737 3.528 -3.727 1.00 0.00 H new ATOM 482 N GLY A 36 0.069 4.280 0.037 1.00 0.00 N ATOM 483 CA GLY A 36 -1.083 3.929 0.847 1.00 0.00 C ATOM 484 C GLY A 36 -0.924 4.353 2.294 1.00 0.00 C ATOM 485 O GLY A 36 -1.880 4.806 2.925 1.00 0.00 O ATOM 0 H GLY A 36 0.931 4.432 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.974 4.399 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.240 2.851 0.802 1.00 0.00 H new ATOM 489 N CYS A 37 0.286 4.205 2.823 1.00 0.00 N ATOM 490 CA CYS A 37 0.567 4.574 4.205 1.00 0.00 C ATOM 491 C CYS A 37 1.734 5.553 4.281 1.00 0.00 C ATOM 492 O CYS A 37 2.094 6.025 5.359 1.00 0.00 O ATOM 493 CB CYS A 37 0.879 3.326 5.034 1.00 0.00 C ATOM 494 SG CYS A 37 2.398 2.458 4.528 1.00 0.00 S ATOM 0 H CYS A 37 1.088 3.832 2.315 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.319 5.061 4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.969 3.612 6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.038 2.636 4.963 1.00 0.00 H new ATOM 499 N ASP A 38 2.322 5.854 3.128 1.00 0.00 N ATOM 500 CA ASP A 38 3.448 6.778 3.062 1.00 0.00 C ATOM 501 C ASP A 38 4.537 6.379 4.053 1.00 0.00 C ATOM 502 O ASP A 38 4.922 7.167 4.917 1.00 0.00 O ATOM 503 CB ASP A 38 2.981 8.206 3.346 1.00 0.00 C ATOM 504 CG ASP A 38 3.872 9.247 2.696 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.020 9.212 1.456 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.421 10.097 3.428 1.00 0.00 O ATOM 0 H ASP A 38 2.037 5.471 2.226 1.00 0.00 H new ATOM 0 HA ASP A 38 3.864 6.734 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.960 8.330 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.961 8.371 4.423 1.00 0.00 H new ATOM 511 N ASP A 39 5.028 5.152 3.923 1.00 0.00 N ATOM 512 CA ASP A 39 6.072 4.648 4.808 1.00 0.00 C ATOM 513 C ASP A 39 7.427 4.655 4.107 1.00 0.00 C ATOM 514 O ASP A 39 7.536 5.056 2.949 1.00 0.00 O ATOM 515 CB ASP A 39 5.734 3.232 5.277 1.00 0.00 C ATOM 516 CG ASP A 39 4.897 3.225 6.540 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.160 4.208 6.769 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.978 2.238 7.301 1.00 0.00 O ATOM 0 H ASP A 39 4.720 4.487 3.213 1.00 0.00 H new ATOM 0 HA ASP A 39 6.128 5.305 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.197 2.709 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.658 2.681 5.454 1.00 0.00 H new ATOM 523 N ASN A 40 8.458 4.211 4.819 1.00 0.00 N ATOM 524 CA ASN A 40 9.807 4.168 4.266 1.00 0.00 C ATOM 525 C ASN A 40 10.392 2.762 4.370 1.00 0.00 C ATOM 526 O ASN A 40 10.496 2.200 5.460 1.00 0.00 O ATOM 527 CB ASN A 40 10.711 5.164 4.995 1.00 0.00 C ATOM 528 CG ASN A 40 9.965 6.410 5.431 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.850 6.693 6.623 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.454 7.162 4.463 1.00 0.00 N ATOM 0 H ASN A 40 8.385 3.876 5.780 1.00 0.00 H new ATOM 0 HA ASN A 40 9.751 4.442 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.148 4.681 5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.536 5.448 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.942 8.013 4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.574 6.889 3.488 1.00 0.00 H new ATOM 537 N TYR A 41 10.774 2.201 3.228 1.00 0.00 N ATOM 538 CA TYR A 41 11.348 0.861 3.189 1.00 0.00 C ATOM 539 C TYR A 41 12.549 0.810 2.249 1.00 0.00 C ATOM 540 O TYR A 41 12.511 1.351 1.144 1.00 0.00 O ATOM 541 CB TYR A 41 10.294 -0.154 2.744 1.00 0.00 C ATOM 542 CG TYR A 41 9.221 -0.407 3.779 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.388 -1.379 4.758 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.041 0.326 3.778 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.410 -1.613 5.705 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.059 0.099 4.722 1.00 0.00 C ATOM 547 CZ TYR A 41 7.248 -0.872 5.683 1.00 0.00 C ATOM 548 OH TYR A 41 6.272 -1.102 6.626 1.00 0.00 O ATOM 0 H TYR A 41 10.697 2.653 2.317 1.00 0.00 H new ATOM 0 HA TYR A 41 11.686 0.608 4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.825 0.201 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.787 -1.097 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.297 -1.961 4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.889 1.086 3.026 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.555 -2.373 6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.148 0.679 4.708 1.00 0.00 H new ATOM 0 HH TYR A 41 5.518 -0.495 6.471 1.00 0.00 H new ATOM 558 N HIS A 42 13.615 0.154 2.698 1.00 0.00 N ATOM 559 CA HIS A 42 14.828 0.029 1.898 1.00 0.00 C ATOM 560 C HIS A 42 14.689 -1.091 0.871 1.00 0.00 C ATOM 561 O HIS A 42 13.673 -1.785 0.830 1.00 0.00 O ATOM 562 CB HIS A 42 16.034 -0.236 2.800 1.00 0.00 C ATOM 563 CG HIS A 42 16.357 0.903 3.717 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.979 0.734 4.936 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.143 2.233 3.587 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.133 1.911 5.517 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.634 2.837 4.718 1.00 0.00 N ATOM 0 H HIS A 42 13.663 -0.299 3.611 1.00 0.00 H new ATOM 0 HA HIS A 42 14.981 0.968 1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.843 -1.128 3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.903 -0.449 2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.673 2.727 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.589 2.086 6.480 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.616 3.839 4.910 1.00 0.00 H new ATOM 575 N ILE A 43 15.716 -1.260 0.045 1.00 0.00 N ATOM 576 CA ILE A 43 15.708 -2.295 -0.981 1.00 0.00 C ATOM 577 C ILE A 43 16.418 -3.555 -0.496 1.00 0.00 C ATOM 578 O ILE A 43 16.471 -4.561 -1.203 1.00 0.00 O ATOM 579 CB ILE A 43 16.380 -1.808 -2.278 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.786 -1.282 -1.984 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.534 -0.731 -2.941 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.694 -1.274 -3.193 1.00 0.00 C ATOM 0 H ILE A 43 16.564 -0.694 0.066 1.00 0.00 H new ATOM 0 HA ILE A 43 14.663 -2.526 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 43 16.464 -2.651 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.711 -0.269 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.238 -1.895 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.022 -0.397 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.551 -1.137 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.422 0.113 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.674 -0.889 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.800 -2.289 -3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.264 -0.638 -3.967 1.00 0.00 H new ATOM 594 N PHE A 44 16.960 -3.492 0.715 1.00 0.00 N ATOM 595 CA PHE A 44 17.666 -4.628 1.296 1.00 0.00 C ATOM 596 C PHE A 44 17.096 -4.980 2.667 1.00 0.00 C ATOM 597 O PHE A 44 17.734 -5.676 3.457 1.00 0.00 O ATOM 598 CB PHE A 44 19.160 -4.320 1.416 1.00 0.00 C ATOM 599 CG PHE A 44 19.449 -3.009 2.091 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.537 -2.930 3.471 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.633 -1.856 1.344 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.803 -1.725 4.095 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.900 -0.649 1.962 1.00 0.00 C ATOM 604 CZ PHE A 44 19.984 -0.583 3.339 1.00 0.00 C ATOM 0 H PHE A 44 16.924 -2.667 1.313 1.00 0.00 H new ATOM 0 HA PHE A 44 17.530 -5.484 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.645 -5.121 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.603 -4.312 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.396 -3.820 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.567 -1.901 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.869 -1.677 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.043 0.242 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.191 0.360 3.824 1.00 0.00 H new ATOM 614 N CYS A 45 15.891 -4.493 2.943 1.00 0.00 N ATOM 615 CA CYS A 45 15.234 -4.753 4.217 1.00 0.00 C ATOM 616 C CYS A 45 13.977 -5.596 4.019 1.00 0.00 C ATOM 617 O CYS A 45 13.537 -6.299 4.930 1.00 0.00 O ATOM 618 CB CYS A 45 14.873 -3.436 4.908 1.00 0.00 C ATOM 619 SG CYS A 45 16.270 -2.640 5.765 1.00 0.00 S ATOM 0 H CYS A 45 15.349 -3.915 2.300 1.00 0.00 H new ATOM 0 HA CYS A 45 15.928 -5.308 4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.475 -2.745 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.077 -3.622 5.629 1.00 0.00 H new ATOM 624 N LEU A 46 13.404 -5.521 2.823 1.00 0.00 N ATOM 625 CA LEU A 46 12.198 -6.278 2.503 1.00 0.00 C ATOM 626 C LEU A 46 12.501 -7.769 2.405 1.00 0.00 C ATOM 627 O LEU A 46 13.588 -8.219 2.771 1.00 0.00 O ATOM 628 CB LEU A 46 11.594 -5.781 1.189 1.00 0.00 C ATOM 629 CG LEU A 46 11.409 -4.268 1.065 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.484 -3.839 -0.392 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.084 -3.841 1.681 1.00 0.00 C ATOM 0 H LEU A 46 13.755 -4.944 2.059 1.00 0.00 H new ATOM 0 HA LEU A 46 11.478 -6.125 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.230 -6.117 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.623 -6.258 1.055 1.00 0.00 H new ATOM 0 HG LEU A 46 12.215 -3.776 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.350 -2.759 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.457 -4.111 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.699 -4.339 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.969 -2.761 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.265 -4.341 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.068 -4.114 2.736 1.00 0.00 H new ATOM 643 N LEU A 47 11.534 -8.533 1.908 1.00 0.00 N ATOM 644 CA LEU A 47 11.698 -9.974 1.759 1.00 0.00 C ATOM 645 C LEU A 47 10.553 -10.571 0.947 1.00 0.00 C ATOM 646 O LEU A 47 9.428 -10.717 1.427 1.00 0.00 O ATOM 647 CB LEU A 47 11.767 -10.644 3.132 1.00 0.00 C ATOM 648 CG LEU A 47 12.774 -11.787 3.271 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.303 -11.861 4.695 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.140 -13.109 2.866 1.00 0.00 C ATOM 0 H LEU A 47 10.628 -8.178 1.602 1.00 0.00 H new ATOM 0 HA LEU A 47 12.631 -10.155 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.007 -9.883 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.776 -11.027 3.377 1.00 0.00 H new ATOM 0 HG LEU A 47 13.613 -11.590 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.018 -12.680 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.796 -10.923 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.475 -12.034 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.871 -13.911 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.283 -13.313 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.811 -13.052 1.828 1.00 0.00 H new ATOM 662 N PRO A 48 10.843 -10.927 -0.314 1.00 0.00 N ATOM 663 CA PRO A 48 12.178 -10.758 -0.896 1.00 0.00 C ATOM 664 C PRO A 48 12.528 -9.292 -1.126 1.00 0.00 C ATOM 665 O PRO A 48 11.665 -8.458 -1.400 1.00 0.00 O ATOM 666 CB PRO A 48 12.078 -11.499 -2.232 1.00 0.00 C ATOM 667 CG PRO A 48 10.629 -11.467 -2.576 1.00 0.00 C ATOM 668 CD PRO A 48 9.891 -11.522 -1.267 1.00 0.00 C ATOM 0 HA PRO A 48 12.961 -11.138 -0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.678 -11.012 -3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.442 -12.523 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.379 -10.561 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.360 -12.311 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.958 -10.959 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.634 -12.545 -0.993 1.00 0.00 H new ATOM 676 N PRO A 49 13.825 -8.968 -1.011 1.00 0.00 N ATOM 677 CA PRO A 49 14.319 -7.601 -1.204 1.00 0.00 C ATOM 678 C PRO A 49 14.234 -7.154 -2.659 1.00 0.00 C ATOM 679 O PRO A 49 13.850 -7.928 -3.536 1.00 0.00 O ATOM 680 CB PRO A 49 15.780 -7.686 -0.755 1.00 0.00 C ATOM 681 CG PRO A 49 16.155 -9.114 -0.953 1.00 0.00 C ATOM 682 CD PRO A 49 14.908 -9.911 -0.686 1.00 0.00 C ATOM 0 HA PRO A 49 13.729 -6.872 -0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.415 -7.025 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.892 -7.388 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.518 -9.285 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.957 -9.405 -0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.862 -10.805 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.856 -10.241 0.352 1.00 0.00 H new ATOM 690 N LEU A 50 14.595 -5.900 -2.909 1.00 0.00 N ATOM 691 CA LEU A 50 14.561 -5.349 -4.260 1.00 0.00 C ATOM 692 C LEU A 50 15.955 -4.926 -4.711 1.00 0.00 C ATOM 693 O LEU A 50 16.854 -4.699 -3.901 1.00 0.00 O ATOM 694 CB LEU A 50 13.608 -4.154 -4.320 1.00 0.00 C ATOM 695 CG LEU A 50 12.122 -4.486 -4.453 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.275 -3.242 -4.236 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.832 -5.100 -5.815 1.00 0.00 C ATOM 0 H LEU A 50 14.914 -5.246 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 50 14.202 -6.126 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.747 -3.558 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.896 -3.527 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 50 11.863 -5.215 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.220 -3.498 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.460 -2.845 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.537 -2.489 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.769 -5.330 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.108 -4.394 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.411 -6.016 -5.932 1.00 0.00 H new ATOM 709 N PRO A 51 16.140 -4.814 -6.035 1.00 0.00 N ATOM 710 CA PRO A 51 17.422 -4.415 -6.624 1.00 0.00 C ATOM 711 C PRO A 51 17.752 -2.950 -6.355 1.00 0.00 C ATOM 712 O PRO A 51 18.892 -2.609 -6.043 1.00 0.00 O ATOM 713 CB PRO A 51 17.213 -4.650 -8.122 1.00 0.00 C ATOM 714 CG PRO A 51 15.740 -4.543 -8.320 1.00 0.00 C ATOM 715 CD PRO A 51 15.113 -5.069 -7.058 1.00 0.00 C ATOM 0 HA PRO A 51 18.256 -4.976 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.747 -3.910 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.583 -5.630 -8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.445 -3.510 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.420 -5.122 -9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.180 -4.554 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.880 -6.131 -7.137 1.00 0.00 H new ATOM 723 N GLU A 52 16.746 -2.089 -6.480 1.00 0.00 N ATOM 724 CA GLU A 52 16.932 -0.661 -6.250 1.00 0.00 C ATOM 725 C GLU A 52 15.599 0.079 -6.322 1.00 0.00 C ATOM 726 O GLU A 52 14.549 -0.531 -6.526 1.00 0.00 O ATOM 727 CB GLU A 52 17.906 -0.080 -7.276 1.00 0.00 C ATOM 728 CG GLU A 52 19.294 0.184 -6.716 1.00 0.00 C ATOM 729 CD GLU A 52 19.910 1.459 -7.259 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.244 2.514 -7.197 1.00 0.00 O ATOM 731 OE2 GLU A 52 21.058 1.402 -7.746 1.00 0.00 O ATOM 0 H GLU A 52 15.796 -2.355 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 52 17.347 -0.530 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.988 -0.768 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.497 0.852 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.237 0.247 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.944 -0.659 -6.953 1.00 0.00 H new ATOM 738 N ILE A 53 15.650 1.395 -6.153 1.00 0.00 N ATOM 739 CA ILE A 53 14.448 2.218 -6.199 1.00 0.00 C ATOM 740 C ILE A 53 13.634 1.933 -7.456 1.00 0.00 C ATOM 741 O ILE A 53 14.156 1.906 -8.571 1.00 0.00 O ATOM 742 CB ILE A 53 14.791 3.719 -6.153 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.195 4.129 -4.735 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.609 4.548 -6.633 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.051 4.094 -3.747 1.00 0.00 C ATOM 0 H ILE A 53 16.511 1.915 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 53 13.857 1.961 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 53 15.634 3.904 -6.819 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.987 3.466 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.611 5.136 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.867 5.606 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.363 4.272 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.749 4.361 -5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.410 4.396 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.268 4.778 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.649 3.082 -3.691 1.00 0.00 H new ATOM 757 N PRO A 54 12.323 1.715 -7.276 1.00 0.00 N ATOM 758 CA PRO A 54 11.408 1.430 -8.385 1.00 0.00 C ATOM 759 C PRO A 54 11.183 2.646 -9.278 1.00 0.00 C ATOM 760 O PRO A 54 11.701 3.730 -9.009 1.00 0.00 O ATOM 761 CB PRO A 54 10.107 1.037 -7.680 1.00 0.00 C ATOM 762 CG PRO A 54 10.177 1.711 -6.353 1.00 0.00 C ATOM 763 CD PRO A 54 11.633 1.732 -5.975 1.00 0.00 C ATOM 0 HA PRO A 54 11.800 0.659 -9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.235 1.366 -8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.027 -0.045 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.773 2.722 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.589 1.172 -5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.886 2.621 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.903 0.869 -5.366 1.00 0.00 H new ATOM 771 N ARG A 55 10.408 2.458 -10.341 1.00 0.00 N ATOM 772 CA ARG A 55 10.116 3.539 -11.275 1.00 0.00 C ATOM 773 C ARG A 55 8.758 4.166 -10.972 1.00 0.00 C ATOM 774 O ARG A 55 8.679 5.267 -10.428 1.00 0.00 O ATOM 775 CB ARG A 55 10.140 3.020 -12.713 1.00 0.00 C ATOM 776 CG ARG A 55 11.542 2.798 -13.257 1.00 0.00 C ATOM 777 CD ARG A 55 11.540 2.687 -14.774 1.00 0.00 C ATOM 778 NE ARG A 55 12.798 2.150 -15.285 1.00 0.00 N ATOM 779 CZ ARG A 55 13.917 2.860 -15.376 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.934 4.129 -14.992 1.00 0.00 N ATOM 781 NH2 ARG A 55 15.023 2.301 -15.852 1.00 0.00 N ATOM 0 H ARG A 55 9.971 1.567 -10.577 1.00 0.00 H new ATOM 0 HA ARG A 55 10.885 4.303 -11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.588 2.081 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.618 3.730 -13.355 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.186 3.623 -12.952 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.961 1.889 -12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.717 2.045 -15.089 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.362 3.670 -15.209 1.00 0.00 H new ATOM 0 HE ARG A 55 12.819 1.176 -15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.086 4.562 -14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.795 4.672 -15.063 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.014 1.325 -16.148 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.881 2.847 -15.921 1.00 0.00 H new ATOM 795 N GLY A 56 7.691 3.458 -11.329 1.00 0.00 N ATOM 796 CA GLY A 56 6.352 3.961 -11.088 1.00 0.00 C ATOM 797 C GLY A 56 5.986 3.955 -9.617 1.00 0.00 C ATOM 798 O GLY A 56 6.842 4.161 -8.757 1.00 0.00 O ATOM 0 H GLY A 56 7.730 2.545 -11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.274 4.977 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.634 3.354 -11.640 1.00 0.00 H new ATOM 802 N ILE A 57 4.710 3.719 -9.328 1.00 0.00 N ATOM 803 CA ILE A 57 4.234 3.687 -7.951 1.00 0.00 C ATOM 804 C ILE A 57 4.616 2.379 -7.267 1.00 0.00 C ATOM 805 O ILE A 57 4.397 1.296 -7.809 1.00 0.00 O ATOM 806 CB ILE A 57 2.705 3.862 -7.880 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.295 5.205 -8.488 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.226 3.759 -6.440 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.798 5.385 -8.601 1.00 0.00 C ATOM 0 H ILE A 57 3.989 3.547 -10.028 1.00 0.00 H new ATOM 0 HA ILE A 57 4.712 4.518 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 57 2.236 3.065 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.705 6.011 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.740 5.297 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.144 3.885 -6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.490 2.781 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.700 4.537 -5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.581 6.359 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.384 4.601 -9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.349 5.326 -7.610 1.00 0.00 H new ATOM 821 N TRP A 58 5.187 2.487 -6.072 1.00 0.00 N ATOM 822 CA TRP A 58 5.598 1.312 -5.313 1.00 0.00 C ATOM 823 C TRP A 58 4.837 1.223 -3.995 1.00 0.00 C ATOM 824 O TRP A 58 4.606 2.233 -3.331 1.00 0.00 O ATOM 825 CB TRP A 58 7.104 1.354 -5.044 1.00 0.00 C ATOM 826 CG TRP A 58 7.591 0.207 -4.212 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.096 -0.978 -4.665 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.617 0.137 -2.782 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.435 -1.781 -3.602 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.151 -1.120 -2.436 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.243 1.014 -1.760 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.319 -1.519 -1.113 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.410 0.616 -0.447 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.944 -0.641 -0.133 1.00 0.00 C ATOM 0 H TRP A 58 5.376 3.376 -5.609 1.00 0.00 H new ATOM 0 HA TRP A 58 5.366 0.427 -5.906 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.636 1.355 -5.995 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.350 2.289 -4.540 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.212 -1.245 -5.705 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.834 -2.717 -3.670 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.831 1.985 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.731 -2.487 -0.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.124 1.285 0.351 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.062 -0.922 0.903 1.00 0.00 H new ATOM 845 N ARG A 59 4.450 0.007 -3.621 1.00 0.00 N ATOM 846 CA ARG A 59 3.714 -0.213 -2.383 1.00 0.00 C ATOM 847 C ARG A 59 4.502 -1.113 -1.435 1.00 0.00 C ATOM 848 O ARG A 59 5.407 -1.834 -1.855 1.00 0.00 O ATOM 849 CB ARG A 59 2.349 -0.838 -2.679 1.00 0.00 C ATOM 850 CG ARG A 59 1.188 0.130 -2.518 1.00 0.00 C ATOM 851 CD ARG A 59 -0.060 -0.577 -2.015 1.00 0.00 C ATOM 852 NE ARG A 59 -1.165 -0.480 -2.965 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.435 -0.698 -2.641 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.758 -1.024 -1.397 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.384 -0.590 -3.562 1.00 0.00 N ATOM 0 H ARG A 59 4.634 -0.840 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 59 3.566 0.754 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.349 -1.225 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.197 -1.689 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.466 0.920 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.976 0.608 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.168 -1.627 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.363 -0.144 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.950 -0.231 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.031 -1.108 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.734 -1.191 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.139 -0.339 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.359 -0.758 -3.312 1.00 0.00 H new ATOM 869 N CYS A 60 4.151 -1.066 -0.154 1.00 0.00 N ATOM 870 CA CYS A 60 4.825 -1.875 0.854 1.00 0.00 C ATOM 871 C CYS A 60 4.058 -3.168 1.115 1.00 0.00 C ATOM 872 O CYS A 60 2.863 -3.277 0.839 1.00 0.00 O ATOM 873 CB CYS A 60 4.973 -1.085 2.157 1.00 0.00 C ATOM 874 SG CYS A 60 3.446 -0.991 3.147 1.00 0.00 S ATOM 0 H CYS A 60 3.403 -0.476 0.210 1.00 0.00 H new ATOM 0 HA CYS A 60 5.815 -2.130 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.757 -1.543 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.303 -0.073 1.921 1.00 0.00 H new ATOM 879 N PRO A 61 4.760 -4.173 1.660 1.00 0.00 N ATOM 880 CA PRO A 61 4.166 -5.476 1.971 1.00 0.00 C ATOM 881 C PRO A 61 3.183 -5.403 3.134 1.00 0.00 C ATOM 882 O PRO A 61 2.286 -6.238 3.257 1.00 0.00 O ATOM 883 CB PRO A 61 5.376 -6.336 2.347 1.00 0.00 C ATOM 884 CG PRO A 61 6.399 -5.364 2.822 1.00 0.00 C ATOM 885 CD PRO A 61 6.188 -4.113 2.015 1.00 0.00 C ATOM 0 HA PRO A 61 3.588 -5.870 1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.123 -7.056 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.738 -6.905 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.283 -5.165 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.406 -5.756 2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.421 -3.218 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.822 -4.095 1.129 1.00 0.00 H new ATOM 893 N LYS A 62 3.355 -4.398 3.986 1.00 0.00 N ATOM 894 CA LYS A 62 2.482 -4.213 5.139 1.00 0.00 C ATOM 895 C LYS A 62 1.093 -3.759 4.702 1.00 0.00 C ATOM 896 O LYS A 62 0.125 -3.878 5.454 1.00 0.00 O ATOM 897 CB LYS A 62 3.085 -3.189 6.103 1.00 0.00 C ATOM 898 CG LYS A 62 3.918 -3.812 7.210 1.00 0.00 C ATOM 899 CD LYS A 62 3.291 -3.584 8.575 1.00 0.00 C ATOM 900 CE LYS A 62 3.600 -4.729 9.528 1.00 0.00 C ATOM 901 NZ LYS A 62 3.782 -4.251 10.927 1.00 0.00 N ATOM 0 H LYS A 62 4.092 -3.698 3.899 1.00 0.00 H new ATOM 0 HA LYS A 62 2.388 -5.172 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.707 -2.494 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.280 -2.606 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.022 -4.882 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.922 -3.387 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.662 -2.649 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.211 -3.479 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.790 -5.458 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.504 -5.242 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.991 -5.060 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.571 -3.575 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.911 -3.784 11.250 1.00 0.00 H new ATOM 915 N CYS A 63 1.001 -3.241 3.482 1.00 0.00 N ATOM 916 CA CYS A 63 -0.269 -2.770 2.944 1.00 0.00 C ATOM 917 C CYS A 63 -0.845 -3.776 1.951 1.00 0.00 C ATOM 918 O CYS A 63 -2.047 -4.046 1.953 1.00 0.00 O ATOM 919 CB CYS A 63 -0.087 -1.412 2.264 1.00 0.00 C ATOM 920 SG CYS A 63 -0.049 -0.002 3.417 1.00 0.00 S ATOM 0 H CYS A 63 1.792 -3.137 2.847 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.969 -2.662 3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.841 -1.425 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.898 -1.263 1.551 1.00 0.00 H new ATOM 925 N ILE A 64 0.020 -4.326 1.106 1.00 0.00 N ATOM 926 CA ILE A 64 -0.402 -5.302 0.109 1.00 0.00 C ATOM 927 C ILE A 64 -0.872 -6.594 0.769 1.00 0.00 C ATOM 928 O ILE A 64 -1.910 -7.148 0.407 1.00 0.00 O ATOM 929 CB ILE A 64 0.734 -5.626 -0.878 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.214 -4.351 -1.574 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.271 -6.652 -1.901 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.591 -4.478 -2.186 1.00 0.00 C ATOM 0 H ILE A 64 1.017 -4.112 1.092 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.231 -4.855 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 64 1.569 -6.049 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.502 -4.083 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.220 -3.533 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.086 -6.870 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.026 -7.567 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.579 -6.254 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.866 -3.537 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.315 -4.716 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.586 -5.273 -2.931 1.00 0.00 H new ATOM 944 N LEU A 65 -0.101 -7.069 1.741 1.00 0.00 N ATOM 945 CA LEU A 65 -0.438 -8.296 2.455 1.00 0.00 C ATOM 946 C LEU A 65 -1.713 -8.118 3.272 1.00 0.00 C ATOM 947 O LEU A 65 -2.340 -9.093 3.683 1.00 0.00 O ATOM 948 CB LEU A 65 0.715 -8.709 3.371 1.00 0.00 C ATOM 949 CG LEU A 65 2.031 -9.064 2.677 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.159 -9.169 3.691 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.889 -10.363 1.897 1.00 0.00 C ATOM 0 H LEU A 65 0.762 -6.623 2.053 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.608 -9.081 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.905 -7.896 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.395 -9.569 3.960 1.00 0.00 H new ATOM 0 HG LEU A 65 2.275 -8.267 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.087 -9.422 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.277 -8.215 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.923 -9.946 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.835 -10.600 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.620 -11.169 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.110 -10.251 1.143 1.00 0.00 H new ATOM 963 N ALA A 66 -2.092 -6.865 3.503 1.00 0.00 N ATOM 964 CA ALA A 66 -3.294 -6.559 4.267 1.00 0.00 C ATOM 965 C ALA A 66 -4.499 -6.383 3.349 1.00 0.00 C ATOM 966 O ALA A 66 -5.583 -6.892 3.629 1.00 0.00 O ATOM 967 CB ALA A 66 -3.082 -5.308 5.107 1.00 0.00 C ATOM 0 H ALA A 66 -1.583 -6.046 3.171 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.495 -7.400 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.988 -5.091 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.254 -5.469 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.852 -4.466 4.454 1.00 0.00 H new ATOM 973 N GLU A 67 -4.300 -5.659 2.251 1.00 0.00 N ATOM 974 CA GLU A 67 -5.371 -5.416 1.293 1.00 0.00 C ATOM 975 C GLU A 67 -5.663 -6.670 0.473 1.00 0.00 C ATOM 976 O GLU A 67 -6.783 -6.870 0.002 1.00 0.00 O ATOM 977 CB GLU A 67 -5.001 -4.259 0.363 1.00 0.00 C ATOM 978 CG GLU A 67 -3.849 -4.578 -0.576 1.00 0.00 C ATOM 979 CD GLU A 67 -4.306 -4.811 -2.003 1.00 0.00 C ATOM 980 OE1 GLU A 67 -5.065 -5.775 -2.233 1.00 0.00 O ATOM 981 OE2 GLU A 67 -3.905 -4.028 -2.889 1.00 0.00 O ATOM 0 H GLU A 67 -3.408 -5.231 2.004 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.269 -5.151 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.875 -3.985 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.738 -3.390 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.132 -3.757 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.327 -5.465 -0.216 1.00 0.00 H new ATOM 988 N CYS A 68 -4.647 -7.509 0.305 1.00 0.00 N ATOM 989 CA CYS A 68 -4.792 -8.742 -0.459 1.00 0.00 C ATOM 990 C CYS A 68 -5.903 -9.613 0.119 1.00 0.00 C ATOM 991 O CYS A 68 -5.721 -10.272 1.143 1.00 0.00 O ATOM 992 CB CYS A 68 -3.474 -9.518 -0.471 1.00 0.00 C ATOM 993 SG CYS A 68 -3.551 -11.091 -1.359 1.00 0.00 S ATOM 0 H CYS A 68 -3.714 -7.358 0.688 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.058 -8.476 -1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.702 -8.895 -0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.168 -9.708 0.558 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.389 -11.672 -1.315 1.00 0.00 H new ATOM 999 N LYS A 69 -7.055 -9.609 -0.542 1.00 0.00 N ATOM 1000 CA LYS A 69 -8.198 -10.397 -0.095 1.00 0.00 C ATOM 1001 C LYS A 69 -8.625 -9.987 1.310 1.00 0.00 C ATOM 1002 O LYS A 69 -7.991 -9.140 1.939 1.00 0.00 O ATOM 1003 CB LYS A 69 -7.855 -11.889 -0.120 1.00 0.00 C ATOM 1004 CG LYS A 69 -7.183 -12.337 -1.407 1.00 0.00 C ATOM 1005 CD LYS A 69 -7.922 -13.500 -2.046 1.00 0.00 C ATOM 1006 CE LYS A 69 -7.740 -13.514 -3.556 1.00 0.00 C ATOM 1007 NZ LYS A 69 -8.843 -14.244 -4.241 1.00 0.00 N ATOM 0 H LYS A 69 -7.222 -9.068 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.027 -10.209 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.200 -12.117 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.769 -12.466 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.142 -11.502 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.154 -12.629 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.559 -14.438 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.983 -13.433 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.698 -12.490 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.787 -13.982 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.682 -14.231 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.868 -15.229 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.750 -13.783 -4.027 1.00 0.00 H new ATOM 1021 N GLN A 70 -9.703 -10.594 1.797 1.00 0.00 N ATOM 1022 CA GLN A 70 -10.213 -10.291 3.129 1.00 0.00 C ATOM 1023 C GLN A 70 -11.405 -11.179 3.470 1.00 0.00 C ATOM 1024 O GLN A 70 -12.114 -11.673 2.593 1.00 0.00 O ATOM 1025 CB GLN A 70 -10.617 -8.818 3.221 1.00 0.00 C ATOM 1026 CG GLN A 70 -11.613 -8.393 2.154 1.00 0.00 C ATOM 1027 CD GLN A 70 -11.210 -7.108 1.458 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -11.745 -6.038 1.748 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -10.262 -7.208 0.534 1.00 0.00 N ATOM 0 H GLN A 70 -10.239 -11.298 1.290 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.418 -10.488 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.048 -8.629 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.724 -8.199 3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.708 -9.188 1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.594 -8.262 2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.846 -8.116 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.949 -6.377 0.032 1.00 0.00 H new ATOM 1038 N PRO A 71 -11.632 -11.390 4.775 1.00 0.00 N ATOM 1039 CA PRO A 71 -12.738 -12.220 5.262 1.00 0.00 C ATOM 1040 C PRO A 71 -14.097 -11.569 5.030 1.00 0.00 C ATOM 1041 O PRO A 71 -14.203 -10.368 4.779 1.00 0.00 O ATOM 1042 CB PRO A 71 -12.454 -12.345 6.762 1.00 0.00 C ATOM 1043 CG PRO A 71 -11.652 -11.135 7.097 1.00 0.00 C ATOM 1044 CD PRO A 71 -10.828 -10.833 5.876 1.00 0.00 C ATOM 0 HA PRO A 71 -12.789 -13.177 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.378 -12.380 7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.904 -13.259 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.300 -10.295 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.015 -11.316 7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.668 -9.762 5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.844 -11.298 5.930 1.00 0.00 H new ATOM 1052 N PRO A 72 -15.164 -12.378 5.115 1.00 0.00 N ATOM 1053 CA PRO A 72 -16.536 -11.902 4.918 1.00 0.00 C ATOM 1054 C PRO A 72 -17.006 -11.001 6.055 1.00 0.00 C ATOM 1055 O PRO A 72 -17.743 -11.436 6.939 1.00 0.00 O ATOM 1056 CB PRO A 72 -17.358 -13.192 4.885 1.00 0.00 C ATOM 1057 CG PRO A 72 -16.552 -14.175 5.661 1.00 0.00 C ATOM 1058 CD PRO A 72 -15.112 -13.819 5.411 1.00 0.00 C ATOM 0 HA PRO A 72 -16.631 -11.296 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.342 -13.046 5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.520 -13.532 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.788 -14.121 6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.764 -15.194 5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.489 -14.028 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.697 -14.386 4.578 1.00 0.00 H new ATOM 1066 N GLU A 73 -16.575 -9.743 6.025 1.00 0.00 N ATOM 1067 CA GLU A 73 -16.952 -8.782 7.055 1.00 0.00 C ATOM 1068 C GLU A 73 -16.396 -7.397 6.736 1.00 0.00 C ATOM 1069 O GLU A 73 -16.019 -6.646 7.635 1.00 0.00 O ATOM 1070 CB GLU A 73 -16.447 -9.243 8.424 1.00 0.00 C ATOM 1071 CG GLU A 73 -17.388 -8.899 9.567 1.00 0.00 C ATOM 1072 CD GLU A 73 -16.740 -8.006 10.607 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -16.388 -6.857 10.265 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -16.584 -8.456 11.761 1.00 0.00 O ATOM 0 H GLU A 73 -15.965 -9.366 5.299 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.040 -8.722 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.295 -10.322 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.475 -8.788 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.273 -8.403 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.726 -9.819 10.044 1.00 0.00 H new ATOM 1081 N ALA A 74 -16.348 -7.067 5.449 1.00 0.00 N ATOM 1082 CA ALA A 74 -15.840 -5.773 5.011 1.00 0.00 C ATOM 1083 C ALA A 74 -16.770 -5.138 3.983 1.00 0.00 C ATOM 1084 O ALA A 74 -16.791 -5.537 2.819 1.00 0.00 O ATOM 1085 CB ALA A 74 -14.439 -5.923 4.436 1.00 0.00 C ATOM 0 H ALA A 74 -16.655 -7.678 4.692 1.00 0.00 H new ATOM 0 HA ALA A 74 -15.796 -5.115 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.072 -4.949 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.774 -6.326 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.466 -6.601 3.583 1.00 0.00 H new ATOM 1091 N PHE A 75 -17.540 -4.147 4.422 1.00 0.00 N ATOM 1092 CA PHE A 75 -18.474 -3.457 3.540 1.00 0.00 C ATOM 1093 C PHE A 75 -17.964 -2.062 3.191 1.00 0.00 C ATOM 1094 O PHE A 75 -17.970 -1.160 4.028 1.00 0.00 O ATOM 1095 CB PHE A 75 -19.852 -3.359 4.198 1.00 0.00 C ATOM 1096 CG PHE A 75 -20.877 -4.266 3.581 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -21.050 -5.558 4.051 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -21.668 -3.828 2.531 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -21.993 -6.396 3.486 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -22.612 -4.661 1.963 1.00 0.00 C ATOM 1101 CZ PHE A 75 -22.775 -5.947 2.440 1.00 0.00 C ATOM 0 H PHE A 75 -17.535 -3.804 5.383 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.559 -4.034 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -19.758 -3.598 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -20.204 -2.329 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -20.441 -5.914 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -21.545 -2.824 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -22.118 -7.401 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -23.223 -4.307 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 75 -23.512 -6.600 1.996 1.00 0.00 H new ATOM 1111 N GLY A 76 -17.522 -1.893 1.948 1.00 0.00 N ATOM 1112 CA GLY A 76 -17.013 -0.607 1.510 1.00 0.00 C ATOM 1113 C GLY A 76 -16.588 -0.616 0.055 1.00 0.00 C ATOM 1114 O GLY A 76 -15.460 -0.987 -0.267 1.00 0.00 O ATOM 0 H GLY A 76 -17.508 -2.624 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.781 0.153 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.163 -0.325 2.132 1.00 0.00 H new ATOM 1118 N PHE A 77 -17.495 -0.209 -0.827 1.00 0.00 N ATOM 1119 CA PHE A 77 -17.209 -0.174 -2.257 1.00 0.00 C ATOM 1120 C PHE A 77 -16.936 1.253 -2.723 1.00 0.00 C ATOM 1121 O PHE A 77 -17.863 2.016 -2.992 1.00 0.00 O ATOM 1122 CB PHE A 77 -18.378 -0.766 -3.046 1.00 0.00 C ATOM 1123 CG PHE A 77 -18.067 -0.992 -4.499 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -18.278 0.012 -5.430 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -17.565 -2.208 -4.932 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -17.993 -0.192 -6.767 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -17.278 -2.418 -6.268 1.00 0.00 C ATOM 1128 CZ PHE A 77 -17.493 -1.409 -7.186 1.00 0.00 C ATOM 0 H PHE A 77 -18.434 0.101 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 77 -16.316 -0.773 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -18.669 -1.714 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -19.236 -0.098 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -18.670 0.965 -5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -17.396 -3.001 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.161 0.599 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -16.886 -3.370 -6.593 1.00 0.00 H new ATOM 0 HZ PHE A 77 -17.270 -1.572 -8.230 1.00 0.00 H new ATOM 1138 N GLU A 78 -15.657 1.605 -2.814 1.00 0.00 N ATOM 1139 CA GLU A 78 -15.263 2.941 -3.246 1.00 0.00 C ATOM 1140 C GLU A 78 -15.847 4.006 -2.322 1.00 0.00 C ATOM 1141 O GLU A 78 -16.950 4.502 -2.550 1.00 0.00 O ATOM 1142 CB GLU A 78 -15.720 3.192 -4.684 1.00 0.00 C ATOM 1143 CG GLU A 78 -14.867 4.207 -5.425 1.00 0.00 C ATOM 1144 CD GLU A 78 -14.003 3.573 -6.498 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -14.511 2.694 -7.226 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -12.820 3.955 -6.610 1.00 0.00 O ATOM 0 H GLU A 78 -14.877 0.985 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.176 3.003 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.705 2.249 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.754 3.538 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.515 4.956 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.229 4.729 -4.712 1.00 0.00 H new ATOM 1153 N GLN A 79 -15.098 4.351 -1.279 1.00 0.00 N ATOM 1154 CA GLN A 79 -15.542 5.356 -0.321 1.00 0.00 C ATOM 1155 C GLN A 79 -16.863 4.949 0.323 1.00 0.00 C ATOM 1156 O GLN A 79 -17.370 3.854 0.082 1.00 0.00 O ATOM 1157 CB GLN A 79 -15.693 6.715 -1.007 1.00 0.00 C ATOM 1158 CG GLN A 79 -14.751 7.778 -0.466 1.00 0.00 C ATOM 1159 CD GLN A 79 -14.220 8.695 -1.550 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -13.869 8.246 -2.642 1.00 0.00 O ATOM 1161 NE2 GLN A 79 -14.159 9.988 -1.255 1.00 0.00 N ATOM 0 H GLN A 79 -14.182 3.950 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.786 5.434 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -15.516 6.595 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.721 7.059 -0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.273 8.373 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.914 7.294 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.460 10.317 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.811 10.653 -1.946 1.00 0.00 H new ATOM 1170 N ALA A 80 -17.416 5.837 1.142 1.00 0.00 N ATOM 1171 CA ALA A 80 -18.679 5.571 1.819 1.00 0.00 C ATOM 1172 C ALA A 80 -19.540 6.827 1.890 1.00 0.00 C ATOM 1173 O ALA A 80 -19.219 7.848 1.280 1.00 0.00 O ATOM 1174 CB ALA A 80 -18.424 5.023 3.216 1.00 0.00 C ATOM 0 H ALA A 80 -17.009 6.748 1.353 1.00 0.00 H new ATOM 0 HA ALA A 80 -19.222 4.823 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -19.376 4.829 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.856 4.095 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.857 5.752 3.795 1.00 0.00 H new ATOM 1180 N THR A 81 -20.635 6.747 2.639 1.00 0.00 N ATOM 1181 CA THR A 81 -21.543 7.877 2.789 1.00 0.00 C ATOM 1182 C THR A 81 -20.821 9.091 3.363 1.00 0.00 C ATOM 1183 O THR A 81 -19.712 8.974 3.885 1.00 0.00 O ATOM 1184 CB THR A 81 -22.734 7.524 3.700 1.00 0.00 C ATOM 1185 OG1 THR A 81 -22.659 6.150 4.094 1.00 0.00 O ATOM 1186 CG2 THR A 81 -24.054 7.781 2.989 1.00 0.00 C ATOM 0 H THR A 81 -20.915 5.911 3.152 1.00 0.00 H new ATOM 0 HA THR A 81 -21.915 8.117 1.793 1.00 0.00 H new ATOM 0 HB THR A 81 -22.686 8.159 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 81 -21.971 6.045 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 81 -24.880 7.524 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 81 -24.121 8.834 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 81 -24.108 7.169 2.089 1.00 0.00 H new ATOM 1194 N GLN A 82 -21.457 10.254 3.263 1.00 0.00 N ATOM 1195 CA GLN A 82 -20.873 11.489 3.774 1.00 0.00 C ATOM 1196 C GLN A 82 -21.873 12.245 4.642 1.00 0.00 C ATOM 1197 O GLN A 82 -23.084 12.116 4.466 1.00 0.00 O ATOM 1198 CB GLN A 82 -20.411 12.376 2.616 1.00 0.00 C ATOM 1199 CG GLN A 82 -18.949 12.184 2.249 1.00 0.00 C ATOM 1200 CD GLN A 82 -18.007 12.838 3.241 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -18.346 13.016 4.412 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -16.816 13.200 2.778 1.00 0.00 N ATOM 0 H GLN A 82 -22.375 10.367 2.834 1.00 0.00 H new ATOM 0 HA GLN A 82 -20.011 11.228 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -21.027 12.167 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -20.576 13.420 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -18.729 11.118 2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -18.770 12.598 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -16.577 13.034 1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.141 13.644 3.400 1.00 0.00 H new ATOM 1211 N GLU A 83 -21.358 13.034 5.579 1.00 0.00 N ATOM 1212 CA GLU A 83 -22.207 13.810 6.475 1.00 0.00 C ATOM 1213 C GLU A 83 -22.849 14.981 5.738 1.00 0.00 C ATOM 1214 O GLU A 83 -23.916 15.461 6.122 1.00 0.00 O ATOM 1215 CB GLU A 83 -21.394 14.327 7.664 1.00 0.00 C ATOM 1216 CG GLU A 83 -22.249 14.769 8.840 1.00 0.00 C ATOM 1217 CD GLU A 83 -21.681 14.325 10.174 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -20.447 14.399 10.349 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -22.472 13.904 11.044 1.00 0.00 O ATOM 0 H GLU A 83 -20.357 13.153 5.737 1.00 0.00 H new ATOM 0 HA GLU A 83 -22.998 13.155 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -20.712 13.544 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -20.780 15.166 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.339 15.855 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -23.255 14.365 8.725 1.00 0.00 H new ATOM 1226 N TYR A 84 -22.192 15.437 4.677 1.00 0.00 N ATOM 1227 CA TYR A 84 -22.697 16.553 3.886 1.00 0.00 C ATOM 1228 C TYR A 84 -22.905 17.788 4.758 1.00 0.00 C ATOM 1229 O TYR A 84 -24.025 18.274 4.909 1.00 0.00 O ATOM 1230 CB TYR A 84 -24.011 16.170 3.205 1.00 0.00 C ATOM 1231 CG TYR A 84 -23.855 15.102 2.146 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -22.919 15.236 1.128 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -24.643 13.957 2.164 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -22.773 14.263 0.158 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -24.503 12.978 1.199 1.00 0.00 C ATOM 1236 CZ TYR A 84 -23.568 13.136 0.198 1.00 0.00 C ATOM 1237 OH TYR A 84 -23.425 12.164 -0.765 1.00 0.00 O ATOM 0 H TYR A 84 -21.308 15.051 4.345 1.00 0.00 H new ATOM 0 HA TYR A 84 -21.955 16.789 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -24.714 15.820 3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -24.448 17.059 2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -22.294 16.116 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -25.377 13.830 2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -22.041 14.384 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -25.123 12.094 1.229 1.00 0.00 H new ATOM 0 HH TYR A 84 -24.059 11.437 -0.592 1.00 0.00 H new ATOM 1247 N SER A 85 -21.815 18.291 5.330 1.00 0.00 N ATOM 1248 CA SER A 85 -21.876 19.467 6.189 1.00 0.00 C ATOM 1249 C SER A 85 -21.803 20.748 5.363 1.00 0.00 C ATOM 1250 O SER A 85 -20.885 20.933 4.563 1.00 0.00 O ATOM 1251 CB SER A 85 -20.737 19.439 7.210 1.00 0.00 C ATOM 1252 OG SER A 85 -19.505 19.800 6.609 1.00 0.00 O ATOM 0 H SER A 85 -20.879 17.902 5.214 1.00 0.00 H new ATOM 0 HA SER A 85 -22.829 19.451 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 85 -20.961 20.124 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.656 18.442 7.642 1.00 0.00 H new ATOM 0 HG SER A 85 -19.678 20.285 5.775 1.00 0.00 H new ATOM 1258 N LEU A 86 -22.776 21.630 5.563 1.00 0.00 N ATOM 1259 CA LEU A 86 -22.823 22.895 4.838 1.00 0.00 C ATOM 1260 C LEU A 86 -22.256 24.030 5.685 1.00 0.00 C ATOM 1261 O LEU A 86 -22.139 23.909 6.904 1.00 0.00 O ATOM 1262 CB LEU A 86 -24.262 23.217 4.429 1.00 0.00 C ATOM 1263 CG LEU A 86 -24.996 22.130 3.644 1.00 0.00 C ATOM 1264 CD1 LEU A 86 -26.498 22.368 3.680 1.00 0.00 C ATOM 1265 CD2 LEU A 86 -24.497 22.079 2.208 1.00 0.00 C ATOM 0 H LEU A 86 -23.543 21.493 6.221 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.211 22.795 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -24.834 23.435 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -24.253 24.127 3.829 1.00 0.00 H new ATOM 0 HG LEU A 86 -24.789 21.168 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -27.004 21.585 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -26.844 22.353 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -26.723 23.338 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.031 21.299 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -24.673 23.041 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.429 21.860 2.201 1.00 0.00 H new ATOM 1277 N SER A 87 -21.908 25.133 5.030 1.00 0.00 N ATOM 1278 CA SER A 87 -21.352 26.289 5.722 1.00 0.00 C ATOM 1279 C SER A 87 -21.782 27.587 5.044 1.00 0.00 C ATOM 1280 O SER A 87 -21.203 27.996 4.039 1.00 0.00 O ATOM 1281 CB SER A 87 -19.825 26.202 5.761 1.00 0.00 C ATOM 1282 OG SER A 87 -19.300 26.928 6.858 1.00 0.00 O ATOM 0 H SER A 87 -22.001 25.250 4.021 1.00 0.00 H new ATOM 0 HA SER A 87 -21.734 26.288 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 87 -19.519 25.158 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 87 -19.412 26.593 4.831 1.00 0.00 H new ATOM 0 HG SER A 87 -18.323 26.855 6.861 1.00 0.00 H new ATOM 1288 N GLY A 88 -22.803 28.230 5.603 1.00 0.00 N ATOM 1289 CA GLY A 88 -23.294 29.474 5.040 1.00 0.00 C ATOM 1290 C GLY A 88 -23.985 30.344 6.071 1.00 0.00 C ATOM 1291 O GLY A 88 -25.209 30.478 6.081 1.00 0.00 O ATOM 0 H GLY A 88 -23.299 27.911 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -22.461 30.025 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -23.990 29.253 4.230 1.00 0.00 H new ATOM 1295 N PRO A 89 -23.192 30.952 6.966 1.00 0.00 N ATOM 1296 CA PRO A 89 -23.714 31.823 8.023 1.00 0.00 C ATOM 1297 C PRO A 89 -24.266 33.134 7.474 1.00 0.00 C ATOM 1298 O PRO A 89 -24.023 33.487 6.320 1.00 0.00 O ATOM 1299 CB PRO A 89 -22.489 32.085 8.903 1.00 0.00 C ATOM 1300 CG PRO A 89 -21.323 31.904 7.993 1.00 0.00 C ATOM 1301 CD PRO A 89 -21.725 30.837 7.013 1.00 0.00 C ATOM 0 HA PRO A 89 -24.548 31.365 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -22.511 33.091 9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -22.448 31.390 9.742 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -21.081 32.834 7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -20.435 31.607 8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -21.277 31.002 6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -21.410 29.848 7.345 1.00 0.00 H new ATOM 1309 N SER A 90 -25.010 33.853 8.309 1.00 0.00 N ATOM 1310 CA SER A 90 -25.599 35.125 7.906 1.00 0.00 C ATOM 1311 C SER A 90 -24.520 36.107 7.460 1.00 0.00 C ATOM 1312 O SER A 90 -24.644 36.752 6.419 1.00 0.00 O ATOM 1313 CB SER A 90 -26.407 35.725 9.058 1.00 0.00 C ATOM 1314 OG SER A 90 -27.641 35.048 9.223 1.00 0.00 O ATOM 0 H SER A 90 -25.219 33.576 9.268 1.00 0.00 H new ATOM 0 HA SER A 90 -26.265 34.938 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 90 -25.830 35.665 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.591 36.782 8.865 1.00 0.00 H new ATOM 0 HG SER A 90 -28.138 35.449 9.966 1.00 0.00 H new ATOM 1320 N SER A 91 -23.461 36.214 8.256 1.00 0.00 N ATOM 1321 CA SER A 91 -22.361 37.120 7.947 1.00 0.00 C ATOM 1322 C SER A 91 -21.063 36.346 7.737 1.00 0.00 C ATOM 1323 O SER A 91 -20.963 35.172 8.090 1.00 0.00 O ATOM 1324 CB SER A 91 -22.183 38.142 9.071 1.00 0.00 C ATOM 1325 OG SER A 91 -23.433 38.512 9.627 1.00 0.00 O ATOM 0 H SER A 91 -23.341 35.685 9.120 1.00 0.00 H new ATOM 0 HA SER A 91 -22.604 37.646 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.545 37.724 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.677 39.027 8.685 1.00 0.00 H new ATOM 0 HG SER A 91 -23.292 39.165 10.344 1.00 0.00 H new ATOM 1331 N GLY A 92 -20.069 37.015 7.160 1.00 0.00 N ATOM 1332 CA GLY A 92 -18.790 36.376 6.912 1.00 0.00 C ATOM 1333 C GLY A 92 -18.068 36.967 5.718 1.00 0.00 C ATOM 1334 O GLY A 92 -17.176 37.793 5.906 1.00 0.00 O ATOM 0 H GLY A 92 -20.127 37.988 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -18.161 36.473 7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -18.946 35.310 6.747 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.108 -0.491 6.361 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.112 0.800 3.009 1.00 0.00 ZN