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 Set 1.1: A 26 LYS NZ :NH3+ -151:sc= 2.46 (180deg=1.91) USER MOD Set 1.2: A 63 ASN : amide:sc= 1.18 K(o=3.6,f=1.6) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0806) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0299) 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= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.212 USER MOD Single : A 31 CYS SG : rot 77:sc= -0.135 USER MOD Single : A 33 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.0756 K(o=0.076,f=-5!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 164:sc= -0.712 (180deg=-1.83) USER MOD Single : A 49 CYS SG : rot 170:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -79:sc= 0.061 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 0.955 (180deg=0.916) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= 0.832 K(o=0.83,f=-2.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00105) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.620 1.439 -0.291 1.00 0.00 N ATOM 2 CA MET A 1 2.427 0.597 -1.210 1.00 0.00 C ATOM 3 C MET A 1 3.375 -0.289 -0.396 1.00 0.00 C ATOM 4 O MET A 1 3.053 -1.450 -0.144 1.00 0.00 O ATOM 5 CB MET A 1 3.146 1.405 -2.308 1.00 0.00 C ATOM 6 CG MET A 1 2.157 2.000 -3.323 1.00 0.00 C ATOM 7 SD MET A 1 2.914 2.912 -4.702 1.00 0.00 S ATOM 8 CE MET A 1 3.686 1.547 -5.622 1.00 0.00 C ATOM 0 H1 MET A 1 0.908 1.964 -0.837 1.00 0.00 H new ATOM 0 H2 MET A 1 1.143 0.833 0.407 1.00 0.00 H new ATOM 0 H3 MET A 1 2.243 2.110 0.202 1.00 0.00 H new ATOM 0 HA MET A 1 1.744 -0.049 -1.762 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.722 2.208 -1.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.855 0.761 -2.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.552 1.191 -3.733 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.479 2.670 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.071 1.920 -6.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.506 1.131 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.945 0.770 -5.811 1.00 0.00 H new ATOM 18 N SER A 2 4.508 0.238 0.076 1.00 0.00 N ATOM 19 CA SER A 2 5.486 -0.479 0.911 1.00 0.00 C ATOM 20 C SER A 2 6.463 0.483 1.621 1.00 0.00 C ATOM 21 O SER A 2 6.504 1.680 1.315 1.00 0.00 O ATOM 22 CB SER A 2 6.250 -1.536 0.083 1.00 0.00 C ATOM 23 OG SER A 2 6.953 -0.948 -1.012 1.00 0.00 O ATOM 0 H SER A 2 4.781 1.202 -0.115 1.00 0.00 H new ATOM 0 HA SER A 2 4.925 -0.995 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.955 -2.061 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.547 -2.279 -0.294 1.00 0.00 H new ATOM 0 HG SER A 2 7.425 -1.647 -1.511 1.00 0.00 H new ATOM 29 N ALA A 3 7.246 -0.037 2.577 1.00 0.00 N ATOM 30 CA ALA A 3 8.264 0.708 3.319 1.00 0.00 C ATOM 31 C ALA A 3 9.509 0.964 2.445 1.00 0.00 C ATOM 32 O ALA A 3 10.446 0.170 2.413 1.00 0.00 O ATOM 33 CB ALA A 3 8.576 -0.059 4.612 1.00 0.00 C ATOM 0 H ALA A 3 7.184 -1.015 2.861 1.00 0.00 H new ATOM 0 HA ALA A 3 7.895 1.697 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.334 0.480 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.669 -0.149 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.947 -1.054 4.365 1.00 0.00 H new ATOM 39 N SER A 4 9.493 2.056 1.682 1.00 0.00 N ATOM 40 CA SER A 4 10.567 2.392 0.734 1.00 0.00 C ATOM 41 C SER A 4 11.876 2.824 1.428 1.00 0.00 C ATOM 42 O SER A 4 11.866 3.614 2.379 1.00 0.00 O ATOM 43 CB SER A 4 10.080 3.470 -0.245 1.00 0.00 C ATOM 44 OG SER A 4 11.025 3.656 -1.286 1.00 0.00 O ATOM 0 H SER A 4 8.735 2.738 1.700 1.00 0.00 H new ATOM 0 HA SER A 4 10.807 1.483 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.118 3.179 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.925 4.409 0.286 1.00 0.00 H new ATOM 0 HG SER A 4 10.700 4.345 -1.903 1.00 0.00 H new ATOM 50 N ALA A 5 13.021 2.342 0.927 1.00 0.00 N ATOM 51 CA ALA A 5 14.354 2.611 1.481 1.00 0.00 C ATOM 52 C ALA A 5 14.690 4.113 1.584 1.00 0.00 C ATOM 53 O ALA A 5 15.274 4.543 2.574 1.00 0.00 O ATOM 54 CB ALA A 5 15.365 1.868 0.600 1.00 0.00 C ATOM 0 H ALA A 5 13.046 1.739 0.105 1.00 0.00 H new ATOM 0 HA ALA A 5 14.390 2.255 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.373 2.041 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.149 0.800 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.293 2.234 -0.424 1.00 0.00 H new ATOM 60 N GLN A 6 14.288 4.914 0.591 1.00 0.00 N ATOM 61 CA GLN A 6 14.523 6.366 0.597 1.00 0.00 C ATOM 62 C GLN A 6 13.656 7.099 1.638 1.00 0.00 C ATOM 63 O GLN A 6 14.078 8.130 2.160 1.00 0.00 O ATOM 64 CB GLN A 6 14.345 6.944 -0.820 1.00 0.00 C ATOM 65 CG GLN A 6 12.909 6.887 -1.371 1.00 0.00 C ATOM 66 CD GLN A 6 12.820 7.454 -2.792 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.779 6.730 -3.783 1.00 0.00 O ATOM 68 NE2 GLN A 6 12.808 8.763 -2.958 1.00 0.00 N ATOM 0 H GLN A 6 13.793 4.579 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 6 15.556 6.534 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.676 7.983 -0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.001 6.403 -1.502 1.00 0.00 H new ATOM 0 HG2 GLN A 6 12.560 5.854 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.245 7.449 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.841 9.380 -2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.765 9.158 -3.898 1.00 0.00 H new ATOM 77 N GLN A 7 12.479 6.564 1.982 1.00 0.00 N ATOM 78 CA GLN A 7 11.604 7.129 3.013 1.00 0.00 C ATOM 79 C GLN A 7 12.096 6.740 4.416 1.00 0.00 C ATOM 80 O GLN A 7 11.954 7.521 5.358 1.00 0.00 O ATOM 81 CB GLN A 7 10.153 6.680 2.746 1.00 0.00 C ATOM 82 CG GLN A 7 9.140 7.491 3.576 1.00 0.00 C ATOM 83 CD GLN A 7 7.677 7.212 3.210 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.846 6.897 4.053 1.00 0.00 O ATOM 85 NE2 GLN A 7 7.287 7.341 1.955 1.00 0.00 N ATOM 0 H GLN A 7 12.105 5.720 1.549 1.00 0.00 H new ATOM 0 HA GLN A 7 11.632 8.218 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.927 6.793 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.051 5.621 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.289 7.269 4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.342 8.554 3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.961 7.603 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.311 7.179 1.705 1.00 0.00 H new ATOM 94 N LEU A 8 12.751 5.578 4.558 1.00 0.00 N ATOM 95 CA LEU A 8 13.462 5.197 5.780 1.00 0.00 C ATOM 96 C LEU A 8 14.692 6.096 5.994 1.00 0.00 C ATOM 97 O LEU A 8 14.879 6.638 7.086 1.00 0.00 O ATOM 98 CB LEU A 8 13.790 3.693 5.709 1.00 0.00 C ATOM 99 CG LEU A 8 14.036 3.062 7.096 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.516 1.618 7.125 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.516 3.086 7.506 1.00 0.00 C ATOM 0 H LEU A 8 12.800 4.874 3.821 1.00 0.00 H new ATOM 0 HA LEU A 8 12.837 5.353 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.968 3.171 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.674 3.549 5.089 1.00 0.00 H new ATOM 0 HG LEU A 8 13.488 3.669 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.696 1.186 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.446 1.612 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.036 1.029 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.629 2.629 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.104 2.528 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.867 4.117 7.543 1.00 0.00 H new ATOM 113 N ALA A 9 15.491 6.322 4.944 1.00 0.00 N ATOM 114 CA ALA A 9 16.657 7.215 4.964 1.00 0.00 C ATOM 115 C ALA A 9 16.307 8.681 5.302 1.00 0.00 C ATOM 116 O ALA A 9 17.101 9.363 5.956 1.00 0.00 O ATOM 117 CB ALA A 9 17.374 7.100 3.614 1.00 0.00 C ATOM 0 H ALA A 9 15.342 5.880 4.037 1.00 0.00 H new ATOM 0 HA ALA A 9 17.317 6.897 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.244 7.756 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.695 6.070 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.693 7.392 2.814 1.00 0.00 H new ATOM 123 N GLU A 10 15.108 9.141 4.930 1.00 0.00 N ATOM 124 CA GLU A 10 14.584 10.459 5.287 1.00 0.00 C ATOM 125 C GLU A 10 14.408 10.630 6.814 1.00 0.00 C ATOM 126 O GLU A 10 14.486 11.758 7.305 1.00 0.00 O ATOM 127 CB GLU A 10 13.265 10.700 4.523 1.00 0.00 C ATOM 128 CG GLU A 10 12.756 12.144 4.622 1.00 0.00 C ATOM 129 CD GLU A 10 11.556 12.380 3.694 1.00 0.00 C ATOM 130 OE1 GLU A 10 10.403 12.080 4.087 1.00 0.00 O ATOM 131 OE2 GLU A 10 11.753 12.875 2.555 1.00 0.00 O ATOM 0 H GLU A 10 14.463 8.594 4.360 1.00 0.00 H new ATOM 0 HA GLU A 10 15.311 11.215 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.411 10.446 3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.501 10.026 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.470 12.361 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.560 12.833 4.363 1.00 0.00 H new ATOM 138 N GLU A 11 14.229 9.545 7.579 1.00 0.00 N ATOM 139 CA GLU A 11 14.225 9.575 9.048 1.00 0.00 C ATOM 140 C GLU A 11 15.646 9.481 9.636 1.00 0.00 C ATOM 141 O GLU A 11 15.962 10.219 10.575 1.00 0.00 O ATOM 142 CB GLU A 11 13.351 8.445 9.620 1.00 0.00 C ATOM 143 CG GLU A 11 11.864 8.548 9.235 1.00 0.00 C ATOM 144 CD GLU A 11 11.205 9.866 9.686 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.336 10.236 10.877 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.537 10.533 8.859 1.00 0.00 O ATOM 0 H GLU A 11 14.081 8.613 7.192 1.00 0.00 H new ATOM 0 HA GLU A 11 13.804 10.537 9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.740 7.488 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.436 8.449 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.769 8.455 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.323 7.711 9.676 1.00 0.00 H new ATOM 153 N LEU A 12 16.532 8.633 9.080 1.00 0.00 N ATOM 154 CA LEU A 12 17.918 8.455 9.561 1.00 0.00 C ATOM 155 C LEU A 12 18.665 9.791 9.674 1.00 0.00 C ATOM 156 O LEU A 12 19.338 10.037 10.678 1.00 0.00 O ATOM 157 CB LEU A 12 18.710 7.525 8.614 1.00 0.00 C ATOM 158 CG LEU A 12 18.214 6.075 8.455 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.133 5.347 7.466 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.204 5.282 9.766 1.00 0.00 C ATOM 0 H LEU A 12 16.305 8.046 8.277 1.00 0.00 H new ATOM 0 HA LEU A 12 17.848 8.008 10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.724 7.985 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.742 7.490 8.964 1.00 0.00 H new ATOM 0 HG LEU A 12 17.185 6.132 8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.794 4.318 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.106 5.855 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.154 5.349 7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.843 4.271 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.215 5.237 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.547 5.773 10.483 1.00 0.00 H new ATOM 172 N GLN A 13 18.513 10.657 8.671 1.00 0.00 N ATOM 173 CA GLN A 13 19.182 11.960 8.586 1.00 0.00 C ATOM 174 C GLN A 13 18.655 13.006 9.597 1.00 0.00 C ATOM 175 O GLN A 13 19.256 14.073 9.718 1.00 0.00 O ATOM 176 CB GLN A 13 19.101 12.472 7.138 1.00 0.00 C ATOM 177 CG GLN A 13 17.687 12.906 6.695 1.00 0.00 C ATOM 178 CD GLN A 13 17.538 14.412 6.448 1.00 0.00 C ATOM 179 OE1 GLN A 13 17.101 14.854 5.389 1.00 0.00 O ATOM 180 NE2 GLN A 13 17.889 15.271 7.387 1.00 0.00 N ATOM 0 H GLN A 13 17.906 10.468 7.873 1.00 0.00 H new ATOM 0 HA GLN A 13 20.224 11.812 8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.780 13.318 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.454 11.688 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.425 12.372 5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.971 12.602 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.255 14.932 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.794 16.273 7.223 1.00 0.00 H new ATOM 189 N ILE A 14 17.548 12.747 10.303 1.00 0.00 N ATOM 190 CA ILE A 14 17.018 13.630 11.362 1.00 0.00 C ATOM 191 C ILE A 14 17.695 13.304 12.703 1.00 0.00 C ATOM 192 O ILE A 14 18.083 14.215 13.438 1.00 0.00 O ATOM 193 CB ILE A 14 15.467 13.523 11.433 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.848 13.985 10.091 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.903 14.347 12.612 1.00 0.00 C ATOM 196 CD1 ILE A 14 13.326 13.822 10.006 1.00 0.00 C ATOM 0 H ILE A 14 16.984 11.909 10.157 1.00 0.00 H new ATOM 0 HA ILE A 14 17.251 14.668 11.124 1.00 0.00 H new ATOM 0 HB ILE A 14 15.199 12.481 11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.098 15.034 9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.307 13.421 9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.817 14.253 12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.320 13.975 13.548 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.173 15.395 12.485 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.977 14.170 9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.065 12.771 10.131 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.853 14.409 10.793 1.00 0.00 H new ATOM 208 N PHE A 15 17.886 12.009 12.999 1.00 0.00 N ATOM 209 CA PHE A 15 18.574 11.538 14.208 1.00 0.00 C ATOM 210 C PHE A 15 20.107 11.566 14.094 1.00 0.00 C ATOM 211 O PHE A 15 20.790 11.556 15.122 1.00 0.00 O ATOM 212 CB PHE A 15 18.113 10.104 14.512 1.00 0.00 C ATOM 213 CG PHE A 15 16.636 9.978 14.844 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.166 10.344 16.121 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.729 9.485 13.883 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.798 10.216 16.433 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.366 9.365 14.191 1.00 0.00 C ATOM 218 CZ PHE A 15 13.899 9.728 15.464 1.00 0.00 C ATOM 0 H PHE A 15 17.563 11.252 12.397 1.00 0.00 H new ATOM 0 HA PHE A 15 18.311 12.223 15.014 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.335 9.474 13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.695 9.717 15.348 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.855 10.723 16.861 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.086 9.198 12.905 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.439 10.492 17.414 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.675 8.993 13.448 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.850 9.633 15.701 1.00 0.00 H new ATOM 228 N GLY A 16 20.653 11.571 12.872 1.00 0.00 N ATOM 229 CA GLY A 16 22.095 11.489 12.597 1.00 0.00 C ATOM 230 C GLY A 16 22.615 10.054 12.429 1.00 0.00 C ATOM 231 O GLY A 16 23.816 9.826 12.574 1.00 0.00 O ATOM 0 H GLY A 16 20.090 11.634 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.315 12.053 11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.638 11.969 13.411 1.00 0.00 H new ATOM 235 N LEU A 17 21.733 9.091 12.132 1.00 0.00 N ATOM 236 CA LEU A 17 22.084 7.700 11.823 1.00 0.00 C ATOM 237 C LEU A 17 22.757 7.591 10.442 1.00 0.00 C ATOM 238 O LEU A 17 22.572 8.449 9.574 1.00 0.00 O ATOM 239 CB LEU A 17 20.833 6.809 11.924 1.00 0.00 C ATOM 240 CG LEU A 17 20.325 6.559 13.364 1.00 0.00 C ATOM 241 CD1 LEU A 17 18.921 5.943 13.297 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.258 5.613 14.141 1.00 0.00 C ATOM 0 H LEU A 17 20.728 9.263 12.099 1.00 0.00 H new ATOM 0 HA LEU A 17 22.810 7.348 12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.031 7.268 11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.051 5.847 11.459 1.00 0.00 H new ATOM 0 HG LEU A 17 20.303 7.514 13.889 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.554 5.763 14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.247 6.628 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.963 4.999 12.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.867 5.462 15.147 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.314 4.654 13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.254 6.052 14.200 1.00 0.00 H new ATOM 254 N ASP A 18 23.548 6.533 10.255 1.00 0.00 N ATOM 255 CA ASP A 18 24.509 6.394 9.147 1.00 0.00 C ATOM 256 C ASP A 18 24.468 5.012 8.458 1.00 0.00 C ATOM 257 O ASP A 18 25.470 4.535 7.923 1.00 0.00 O ATOM 258 CB ASP A 18 25.908 6.756 9.695 1.00 0.00 C ATOM 259 CG ASP A 18 26.950 6.993 8.590 1.00 0.00 C ATOM 260 OD1 ASP A 18 26.670 7.761 7.638 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.073 6.445 8.701 1.00 0.00 O ATOM 0 H ASP A 18 23.542 5.728 10.881 1.00 0.00 H new ATOM 0 HA ASP A 18 24.235 7.080 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.829 7.653 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.255 5.953 10.346 1.00 0.00 H new ATOM 266 N CYS A 19 23.305 4.343 8.473 1.00 0.00 N ATOM 267 CA CYS A 19 23.081 3.080 7.755 1.00 0.00 C ATOM 268 C CYS A 19 23.320 3.257 6.240 1.00 0.00 C ATOM 269 O CYS A 19 22.717 4.136 5.616 1.00 0.00 O ATOM 270 CB CYS A 19 21.643 2.586 8.006 1.00 0.00 C ATOM 271 SG CYS A 19 21.291 2.330 9.773 1.00 0.00 S ATOM 0 H CYS A 19 22.487 4.667 8.989 1.00 0.00 H new ATOM 0 HA CYS A 19 23.789 2.341 8.128 1.00 0.00 H new ATOM 0 HB2 CYS A 19 20.937 3.311 7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 19 21.485 1.651 7.468 1.00 0.00 H new ATOM 0 HG CYS A 19 20.067 1.917 9.916 1.00 0.00 H new ATOM 277 N GLU A 20 24.151 2.399 5.642 1.00 0.00 N ATOM 278 CA GLU A 20 24.245 2.254 4.185 1.00 0.00 C ATOM 279 C GLU A 20 23.003 1.551 3.620 1.00 0.00 C ATOM 280 O GLU A 20 22.206 0.988 4.374 1.00 0.00 O ATOM 281 CB GLU A 20 25.533 1.515 3.780 1.00 0.00 C ATOM 282 CG GLU A 20 25.672 0.091 4.335 1.00 0.00 C ATOM 283 CD GLU A 20 26.966 -0.559 3.829 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.025 -0.960 2.642 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.938 -0.682 4.617 1.00 0.00 O ATOM 0 H GLU A 20 24.780 1.783 6.156 1.00 0.00 H new ATOM 0 HA GLU A 20 24.288 3.254 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.580 1.470 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.389 2.102 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.673 0.118 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.814 -0.509 4.032 1.00 0.00 H new ATOM 292 N GLU A 21 22.849 1.521 2.295 1.00 0.00 N ATOM 293 CA GLU A 21 21.721 0.862 1.615 1.00 0.00 C ATOM 294 C GLU A 21 21.564 -0.609 2.027 1.00 0.00 C ATOM 295 O GLU A 21 20.442 -1.073 2.244 1.00 0.00 O ATOM 296 CB GLU A 21 21.875 0.968 0.088 1.00 0.00 C ATOM 297 CG GLU A 21 21.757 2.412 -0.418 1.00 0.00 C ATOM 298 CD GLU A 21 21.905 2.474 -1.942 1.00 0.00 C ATOM 299 OE1 GLU A 21 20.886 2.367 -2.669 1.00 0.00 O ATOM 300 OE2 GLU A 21 23.048 2.627 -2.432 1.00 0.00 O ATOM 0 H GLU A 21 23.510 1.958 1.652 1.00 0.00 H new ATOM 0 HA GLU A 21 20.817 1.385 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.843 0.562 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.114 0.355 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.792 2.826 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.524 3.029 0.051 1.00 0.00 H new ATOM 307 N ALA A 22 22.675 -1.326 2.236 1.00 0.00 N ATOM 308 CA ALA A 22 22.663 -2.730 2.666 1.00 0.00 C ATOM 309 C ALA A 22 22.154 -2.917 4.115 1.00 0.00 C ATOM 310 O ALA A 22 21.648 -3.992 4.454 1.00 0.00 O ATOM 311 CB ALA A 22 24.078 -3.304 2.489 1.00 0.00 C ATOM 0 H ALA A 22 23.613 -0.946 2.111 1.00 0.00 H new ATOM 0 HA ALA A 22 21.955 -3.275 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 22 24.089 -4.348 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.369 -3.238 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.781 -2.734 3.097 1.00 0.00 H new ATOM 317 N LEU A 23 22.259 -1.882 4.961 1.00 0.00 N ATOM 318 CA LEU A 23 21.713 -1.873 6.324 1.00 0.00 C ATOM 319 C LEU A 23 20.305 -1.269 6.371 1.00 0.00 C ATOM 320 O LEU A 23 19.483 -1.751 7.139 1.00 0.00 O ATOM 321 CB LEU A 23 22.679 -1.128 7.262 1.00 0.00 C ATOM 322 CG LEU A 23 24.094 -1.742 7.358 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.935 -0.932 8.354 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.082 -3.220 7.776 1.00 0.00 C ATOM 0 H LEU A 23 22.734 -1.014 4.712 1.00 0.00 H new ATOM 0 HA LEU A 23 21.617 -2.904 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.769 -0.096 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.243 -1.099 8.260 1.00 0.00 H new ATOM 0 HG LEU A 23 24.530 -1.699 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.933 -1.364 8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.009 0.100 8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.461 -0.957 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.105 -3.593 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.613 -3.317 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.519 -3.800 7.045 1.00 0.00 H new ATOM 336 N ILE A 24 19.972 -0.301 5.509 1.00 0.00 N ATOM 337 CA ILE A 24 18.589 0.178 5.304 1.00 0.00 C ATOM 338 C ILE A 24 17.673 -0.988 4.911 1.00 0.00 C ATOM 339 O ILE A 24 16.583 -1.117 5.478 1.00 0.00 O ATOM 340 CB ILE A 24 18.571 1.326 4.265 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.200 2.602 4.872 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.138 1.636 3.792 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.639 3.648 3.838 1.00 0.00 C ATOM 0 H ILE A 24 20.657 0.180 4.926 1.00 0.00 H new ATOM 0 HA ILE A 24 18.201 0.584 6.238 1.00 0.00 H new ATOM 0 HB ILE A 24 19.154 1.001 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.480 3.060 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.065 2.316 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.163 2.446 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.707 0.747 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.529 1.934 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.068 4.509 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.385 3.212 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.776 3.967 3.254 1.00 0.00 H new ATOM 355 N GLU A 25 18.129 -1.878 4.022 1.00 0.00 N ATOM 356 CA GLU A 25 17.407 -3.110 3.687 1.00 0.00 C ATOM 357 C GLU A 25 17.093 -3.973 4.926 1.00 0.00 C ATOM 358 O GLU A 25 16.035 -4.599 4.966 1.00 0.00 O ATOM 359 CB GLU A 25 18.187 -3.943 2.654 1.00 0.00 C ATOM 360 CG GLU A 25 18.051 -3.385 1.230 1.00 0.00 C ATOM 361 CD GLU A 25 18.724 -4.319 0.211 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.970 -4.277 0.065 1.00 0.00 O ATOM 363 OE2 GLU A 25 18.008 -5.104 -0.457 1.00 0.00 O ATOM 0 H GLU A 25 19.007 -1.764 3.516 1.00 0.00 H new ATOM 0 HA GLU A 25 16.456 -2.798 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.241 -3.968 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.827 -4.972 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.997 -3.266 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.504 -2.395 1.178 1.00 0.00 H new ATOM 370 N LYS A 26 17.936 -3.973 5.970 1.00 0.00 N ATOM 371 CA LYS A 26 17.628 -4.671 7.228 1.00 0.00 C ATOM 372 C LYS A 26 16.498 -3.998 8.022 1.00 0.00 C ATOM 373 O LYS A 26 15.629 -4.700 8.537 1.00 0.00 O ATOM 374 CB LYS A 26 18.912 -4.881 8.057 1.00 0.00 C ATOM 375 CG LYS A 26 18.693 -5.693 9.348 1.00 0.00 C ATOM 376 CD LYS A 26 18.217 -7.134 9.116 1.00 0.00 C ATOM 377 CE LYS A 26 17.777 -7.759 10.443 1.00 0.00 C ATOM 378 NZ LYS A 26 17.294 -9.145 10.241 1.00 0.00 N ATOM 0 H LYS A 26 18.838 -3.497 5.968 1.00 0.00 H new ATOM 0 HA LYS A 26 17.239 -5.657 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.652 -5.390 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.329 -3.908 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.626 -5.717 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.960 -5.176 9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.388 -7.143 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.020 -7.725 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.612 -7.759 11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.986 -7.156 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.583 -9.374 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.866 -9.229 9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.093 -9.806 10.319 1.00 0.00 H new ATOM 392 N LEU A 27 16.444 -2.662 8.089 1.00 0.00 N ATOM 393 CA LEU A 27 15.328 -1.951 8.736 1.00 0.00 C ATOM 394 C LEU A 27 14.044 -2.059 7.890 1.00 0.00 C ATOM 395 O LEU A 27 12.966 -2.241 8.454 1.00 0.00 O ATOM 396 CB LEU A 27 15.671 -0.479 9.041 1.00 0.00 C ATOM 397 CG LEU A 27 16.747 -0.171 10.106 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.476 -0.885 11.440 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.158 -0.487 9.615 1.00 0.00 C ATOM 0 H LEU A 27 17.161 -2.048 7.703 1.00 0.00 H new ATOM 0 HA LEU A 27 15.150 -2.438 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.988 -0.014 8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.751 0.018 9.348 1.00 0.00 H new ATOM 0 HG LEU A 27 16.684 0.903 10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.262 -0.635 12.153 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.512 -0.565 11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.462 -1.963 11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.877 -0.253 10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.227 -1.545 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.378 0.112 8.731 1.00 0.00 H new ATOM 411 N VAL A 28 14.154 -2.025 6.557 1.00 0.00 N ATOM 412 CA VAL A 28 13.030 -2.321 5.647 1.00 0.00 C ATOM 413 C VAL A 28 12.491 -3.740 5.873 1.00 0.00 C ATOM 414 O VAL A 28 11.278 -3.911 5.959 1.00 0.00 O ATOM 415 CB VAL A 28 13.412 -2.094 4.162 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.351 -2.636 3.183 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.620 -0.598 3.872 1.00 0.00 C ATOM 0 H VAL A 28 15.022 -1.792 6.074 1.00 0.00 H new ATOM 0 HA VAL A 28 12.231 -1.618 5.883 1.00 0.00 H new ATOM 0 HB VAL A 28 14.339 -2.645 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.672 -2.449 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.230 -3.708 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.400 -2.134 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.887 -0.464 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.699 -0.055 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.421 -0.213 4.503 1.00 0.00 H new ATOM 427 N GLU A 29 13.358 -4.746 6.044 1.00 0.00 N ATOM 428 CA GLU A 29 12.942 -6.116 6.375 1.00 0.00 C ATOM 429 C GLU A 29 12.093 -6.158 7.655 1.00 0.00 C ATOM 430 O GLU A 29 11.036 -6.792 7.655 1.00 0.00 O ATOM 431 CB GLU A 29 14.164 -7.036 6.486 1.00 0.00 C ATOM 432 CG GLU A 29 13.809 -8.505 6.742 1.00 0.00 C ATOM 433 CD GLU A 29 15.072 -9.365 6.833 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.716 -9.377 7.912 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.434 -10.030 5.830 1.00 0.00 O ATOM 0 H GLU A 29 14.368 -4.634 5.957 1.00 0.00 H new ATOM 0 HA GLU A 29 12.312 -6.480 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.744 -6.967 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.803 -6.680 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.239 -8.590 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.170 -8.874 5.940 1.00 0.00 H new ATOM 442 N LEU A 30 12.471 -5.425 8.713 1.00 0.00 N ATOM 443 CA LEU A 30 11.654 -5.304 9.927 1.00 0.00 C ATOM 444 C LEU A 30 10.286 -4.679 9.618 1.00 0.00 C ATOM 445 O LEU A 30 9.264 -5.247 9.987 1.00 0.00 O ATOM 446 CB LEU A 30 12.393 -4.505 11.024 1.00 0.00 C ATOM 447 CG LEU A 30 13.760 -5.052 11.469 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.394 -4.091 12.482 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.689 -6.475 12.036 1.00 0.00 C ATOM 0 H LEU A 30 13.346 -4.903 8.750 1.00 0.00 H new ATOM 0 HA LEU A 30 11.482 -6.311 10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.534 -3.485 10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.746 -4.450 11.900 1.00 0.00 H new ATOM 0 HG LEU A 30 14.386 -5.117 10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.362 -4.480 12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.529 -3.113 12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.742 -3.996 13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.687 -6.800 12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.032 -6.488 12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.297 -7.151 11.275 1.00 0.00 H new ATOM 461 N CYS A 31 10.224 -3.575 8.868 1.00 0.00 N ATOM 462 CA CYS A 31 8.969 -2.941 8.432 1.00 0.00 C ATOM 463 C CYS A 31 8.062 -3.882 7.614 1.00 0.00 C ATOM 464 O CYS A 31 6.836 -3.790 7.700 1.00 0.00 O ATOM 465 CB CYS A 31 9.298 -1.668 7.638 1.00 0.00 C ATOM 466 SG CYS A 31 10.074 -0.437 8.718 1.00 0.00 S ATOM 0 H CYS A 31 11.057 -3.086 8.539 1.00 0.00 H new ATOM 0 HA CYS A 31 8.399 -2.688 9.326 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.966 -1.909 6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.387 -1.257 7.202 1.00 0.00 H new ATOM 0 HG CYS A 31 11.313 -0.767 8.931 1.00 0.00 H new ATOM 472 N VAL A 32 8.650 -4.801 6.843 1.00 0.00 N ATOM 473 CA VAL A 32 7.945 -5.803 6.025 1.00 0.00 C ATOM 474 C VAL A 32 7.455 -6.991 6.874 1.00 0.00 C ATOM 475 O VAL A 32 6.326 -7.445 6.677 1.00 0.00 O ATOM 476 CB VAL A 32 8.837 -6.260 4.847 1.00 0.00 C ATOM 477 CG1 VAL A 32 8.284 -7.482 4.089 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.999 -5.104 3.842 1.00 0.00 C ATOM 0 H VAL A 32 9.664 -4.874 6.766 1.00 0.00 H new ATOM 0 HA VAL A 32 7.053 -5.335 5.608 1.00 0.00 H new ATOM 0 HB VAL A 32 9.791 -6.550 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.963 -7.744 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.195 -8.325 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.303 -7.242 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.628 -5.428 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.020 -4.812 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.464 -4.253 4.339 1.00 0.00 H new ATOM 488 N GLN A 33 8.256 -7.483 7.830 1.00 0.00 N ATOM 489 CA GLN A 33 7.892 -8.613 8.696 1.00 0.00 C ATOM 490 C GLN A 33 6.887 -8.229 9.798 1.00 0.00 C ATOM 491 O GLN A 33 6.014 -9.030 10.130 1.00 0.00 O ATOM 492 CB GLN A 33 9.161 -9.199 9.343 1.00 0.00 C ATOM 493 CG GLN A 33 10.044 -9.977 8.346 1.00 0.00 C ATOM 494 CD GLN A 33 9.355 -11.215 7.759 1.00 0.00 C ATOM 495 OE1 GLN A 33 8.821 -12.066 8.465 1.00 0.00 O ATOM 496 NE2 GLN A 33 9.316 -11.363 6.449 1.00 0.00 N ATOM 0 H GLN A 33 9.183 -7.104 8.025 1.00 0.00 H new ATOM 0 HA GLN A 33 7.405 -9.354 8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.745 -8.390 9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.873 -9.862 10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.333 -9.312 7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.961 -10.285 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.753 -10.668 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.849 -12.173 6.041 1.00 0.00 H new ATOM 505 N TYR A 34 6.991 -7.023 10.362 1.00 0.00 N ATOM 506 CA TYR A 34 6.140 -6.547 11.459 1.00 0.00 C ATOM 507 C TYR A 34 4.999 -5.611 11.015 1.00 0.00 C ATOM 508 O TYR A 34 4.115 -5.301 11.812 1.00 0.00 O ATOM 509 CB TYR A 34 7.049 -5.890 12.515 1.00 0.00 C ATOM 510 CG TYR A 34 7.904 -6.914 13.248 1.00 0.00 C ATOM 511 CD1 TYR A 34 7.360 -7.626 14.338 1.00 0.00 C ATOM 512 CD2 TYR A 34 9.203 -7.220 12.798 1.00 0.00 C ATOM 513 CE1 TYR A 34 8.097 -8.655 14.954 1.00 0.00 C ATOM 514 CE2 TYR A 34 9.942 -8.255 13.393 1.00 0.00 C ATOM 515 CZ TYR A 34 9.389 -8.976 14.472 1.00 0.00 C ATOM 516 OH TYR A 34 10.099 -9.986 15.046 1.00 0.00 O ATOM 0 H TYR A 34 7.683 -6.335 10.064 1.00 0.00 H new ATOM 0 HA TYR A 34 5.620 -7.406 11.883 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.695 -5.157 12.032 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.436 -5.348 13.235 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.373 -7.380 14.702 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.635 -6.653 11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.679 -9.197 15.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.928 -8.498 13.027 1.00 0.00 H new ATOM 0 HH TYR A 34 10.964 -10.075 14.595 1.00 0.00 H new ATOM 526 N GLY A 35 4.997 -5.151 9.757 1.00 0.00 N ATOM 527 CA GLY A 35 3.960 -4.278 9.180 1.00 0.00 C ATOM 528 C GLY A 35 3.991 -2.833 9.691 1.00 0.00 C ATOM 529 O GLY A 35 3.105 -2.045 9.353 1.00 0.00 O ATOM 0 H GLY A 35 5.736 -5.381 9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.072 -4.269 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.981 -4.706 9.396 1.00 0.00 H new ATOM 533 N GLN A 36 4.971 -2.487 10.528 1.00 0.00 N ATOM 534 CA GLN A 36 5.099 -1.194 11.200 1.00 0.00 C ATOM 535 C GLN A 36 5.811 -0.176 10.296 1.00 0.00 C ATOM 536 O GLN A 36 6.689 -0.530 9.507 1.00 0.00 O ATOM 537 CB GLN A 36 5.845 -1.419 12.538 1.00 0.00 C ATOM 538 CG GLN A 36 6.167 -0.161 13.365 1.00 0.00 C ATOM 539 CD GLN A 36 4.934 0.602 13.859 1.00 0.00 C ATOM 540 OE1 GLN A 36 4.073 1.024 13.094 1.00 0.00 O ATOM 541 NE2 GLN A 36 4.800 0.829 15.151 1.00 0.00 N ATOM 0 H GLN A 36 5.728 -3.128 10.765 1.00 0.00 H new ATOM 0 HA GLN A 36 4.116 -0.774 11.411 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.245 -2.088 13.155 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.781 -1.935 12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.769 -0.451 14.226 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.777 0.510 12.761 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.504 0.487 15.805 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.992 1.347 15.497 1.00 0.00 H new ATOM 550 N ASN A 37 5.455 1.105 10.437 1.00 0.00 N ATOM 551 CA ASN A 37 6.092 2.205 9.712 1.00 0.00 C ATOM 552 C ASN A 37 7.555 2.443 10.135 1.00 0.00 C ATOM 553 O ASN A 37 7.967 2.147 11.259 1.00 0.00 O ATOM 554 CB ASN A 37 5.259 3.489 9.877 1.00 0.00 C ATOM 555 CG ASN A 37 3.942 3.419 9.116 1.00 0.00 C ATOM 556 OD1 ASN A 37 2.875 3.236 9.689 1.00 0.00 O ATOM 557 ND2 ASN A 37 3.977 3.557 7.804 1.00 0.00 N ATOM 0 H ASN A 37 4.710 1.408 11.064 1.00 0.00 H new ATOM 0 HA ASN A 37 6.125 1.921 8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.057 3.656 10.935 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.836 4.343 9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.113 3.511 7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.868 3.709 7.331 1.00 0.00 H new ATOM 564 N GLU A 38 8.323 3.048 9.233 1.00 0.00 N ATOM 565 CA GLU A 38 9.763 3.305 9.325 1.00 0.00 C ATOM 566 C GLU A 38 10.170 4.057 10.603 1.00 0.00 C ATOM 567 O GLU A 38 11.206 3.753 11.193 1.00 0.00 O ATOM 568 CB GLU A 38 10.210 4.096 8.076 1.00 0.00 C ATOM 569 CG GLU A 38 9.999 3.357 6.733 1.00 0.00 C ATOM 570 CD GLU A 38 8.663 3.667 6.026 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.588 3.628 6.671 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.685 3.926 4.800 1.00 0.00 O ATOM 0 H GLU A 38 7.932 3.397 8.358 1.00 0.00 H new ATOM 0 HA GLU A 38 10.264 2.338 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.665 5.039 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.267 4.342 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.818 3.614 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.058 2.283 6.912 1.00 0.00 H new ATOM 579 N GLU A 39 9.330 4.985 11.078 1.00 0.00 N ATOM 580 CA GLU A 39 9.545 5.760 12.308 1.00 0.00 C ATOM 581 C GLU A 39 9.687 4.877 13.564 1.00 0.00 C ATOM 582 O GLU A 39 10.470 5.209 14.456 1.00 0.00 O ATOM 583 CB GLU A 39 8.369 6.734 12.516 1.00 0.00 C ATOM 584 CG GLU A 39 8.288 7.824 11.441 1.00 0.00 C ATOM 585 CD GLU A 39 7.082 8.741 11.684 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.177 9.663 12.530 1.00 0.00 O ATOM 587 OE2 GLU A 39 6.024 8.547 11.033 1.00 0.00 O ATOM 0 H GLU A 39 8.458 5.225 10.605 1.00 0.00 H new ATOM 0 HA GLU A 39 10.484 6.298 12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.436 6.170 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.465 7.205 13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.205 8.413 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.208 7.364 10.456 1.00 0.00 H new ATOM 594 N GLY A 40 8.984 3.735 13.630 1.00 0.00 N ATOM 595 CA GLY A 40 9.061 2.790 14.755 1.00 0.00 C ATOM 596 C GLY A 40 10.354 1.971 14.749 1.00 0.00 C ATOM 597 O GLY A 40 10.900 1.666 15.810 1.00 0.00 O ATOM 0 H GLY A 40 8.340 3.439 12.896 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.989 3.341 15.693 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.207 2.114 14.716 1.00 0.00 H new ATOM 601 N MET A 41 10.879 1.661 13.561 1.00 0.00 N ATOM 602 CA MET A 41 12.139 0.932 13.374 1.00 0.00 C ATOM 603 C MET A 41 13.348 1.861 13.539 1.00 0.00 C ATOM 604 O MET A 41 14.311 1.497 14.209 1.00 0.00 O ATOM 605 CB MET A 41 12.143 0.243 11.995 1.00 0.00 C ATOM 606 CG MET A 41 11.442 -1.125 12.020 1.00 0.00 C ATOM 607 SD MET A 41 9.730 -1.128 12.634 1.00 0.00 S ATOM 608 CE MET A 41 9.412 -2.904 12.651 1.00 0.00 C ATOM 0 H MET A 41 10.430 1.915 12.681 1.00 0.00 H new ATOM 0 HA MET A 41 12.218 0.166 14.145 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.649 0.888 11.268 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.172 0.115 11.659 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.446 -1.532 11.009 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.031 -1.802 12.639 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.530 -3.110 13.257 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.242 -3.253 11.632 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.272 -3.424 13.073 1.00 0.00 H new ATOM 618 N VAL A 42 13.295 3.068 12.975 1.00 0.00 N ATOM 619 CA VAL A 42 14.390 4.051 13.048 1.00 0.00 C ATOM 620 C VAL A 42 14.493 4.715 14.432 1.00 0.00 C ATOM 621 O VAL A 42 15.600 4.869 14.950 1.00 0.00 O ATOM 622 CB VAL A 42 14.240 5.115 11.935 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.242 6.268 12.095 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.467 4.469 10.555 1.00 0.00 C ATOM 0 H VAL A 42 12.486 3.399 12.449 1.00 0.00 H new ATOM 0 HA VAL A 42 15.321 3.507 12.891 1.00 0.00 H new ATOM 0 HB VAL A 42 13.230 5.516 12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.098 6.989 11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.082 6.758 13.055 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.258 5.876 12.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.360 5.225 9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.470 4.045 10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.732 3.680 10.398 1.00 0.00 H new ATOM 634 N GLY A 43 13.369 5.101 15.043 1.00 0.00 N ATOM 635 CA GLY A 43 13.359 5.894 16.284 1.00 0.00 C ATOM 636 C GLY A 43 13.752 5.103 17.532 1.00 0.00 C ATOM 637 O GLY A 43 14.356 5.669 18.447 1.00 0.00 O ATOM 0 H GLY A 43 12.438 4.874 14.694 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.042 6.736 16.170 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.362 6.310 16.429 1.00 0.00 H new ATOM 641 N GLU A 44 13.464 3.797 17.566 1.00 0.00 N ATOM 642 CA GLU A 44 13.827 2.922 18.693 1.00 0.00 C ATOM 643 C GLU A 44 15.284 2.415 18.618 1.00 0.00 C ATOM 644 O GLU A 44 15.847 2.035 19.651 1.00 0.00 O ATOM 645 CB GLU A 44 12.837 1.750 18.795 1.00 0.00 C ATOM 646 CG GLU A 44 11.404 2.201 19.125 1.00 0.00 C ATOM 647 CD GLU A 44 11.314 2.956 20.459 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.488 2.327 21.533 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.042 4.181 20.446 1.00 0.00 O ATOM 0 H GLU A 44 12.973 3.314 16.814 1.00 0.00 H new ATOM 0 HA GLU A 44 13.763 3.524 19.600 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.832 1.203 17.852 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.180 1.057 19.564 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.035 2.842 18.324 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.752 1.328 19.161 1.00 0.00 H new ATOM 656 N LEU A 45 15.944 2.471 17.453 1.00 0.00 N ATOM 657 CA LEU A 45 17.369 2.125 17.306 1.00 0.00 C ATOM 658 C LEU A 45 18.288 3.095 18.073 1.00 0.00 C ATOM 659 O LEU A 45 19.397 2.728 18.460 1.00 0.00 O ATOM 660 CB LEU A 45 17.706 2.085 15.802 1.00 0.00 C ATOM 661 CG LEU A 45 19.144 1.643 15.464 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.445 0.206 15.917 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.353 1.763 13.950 1.00 0.00 C ATOM 0 H LEU A 45 15.504 2.759 16.579 1.00 0.00 H new ATOM 0 HA LEU A 45 17.547 1.145 17.748 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.009 1.408 15.308 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.539 3.077 15.382 1.00 0.00 H new ATOM 0 HG LEU A 45 19.830 2.295 16.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.471 -0.051 15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.318 0.131 16.997 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.760 -0.482 15.423 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.367 1.453 13.697 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.638 1.123 13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.203 2.798 13.643 1.00 0.00 H new ATOM 675 N ILE A 46 17.822 4.316 18.352 1.00 0.00 N ATOM 676 CA ILE A 46 18.551 5.315 19.151 1.00 0.00 C ATOM 677 C ILE A 46 18.818 4.807 20.579 1.00 0.00 C ATOM 678 O ILE A 46 19.910 5.013 21.109 1.00 0.00 O ATOM 679 CB ILE A 46 17.771 6.656 19.146 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.400 7.139 17.719 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.556 7.757 19.890 1.00 0.00 C ATOM 682 CD1 ILE A 46 18.579 7.256 16.747 1.00 0.00 C ATOM 0 H ILE A 46 16.914 4.647 18.026 1.00 0.00 H new ATOM 0 HA ILE A 46 19.528 5.486 18.698 1.00 0.00 H new ATOM 0 HB ILE A 46 16.836 6.462 19.672 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.668 6.450 17.297 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.914 8.112 17.796 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.986 8.686 19.871 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.719 7.452 20.924 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.518 7.911 19.401 1.00 0.00 H new ATOM 0 HD11 ILE A 46 18.219 7.600 15.778 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.304 7.969 17.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 19.054 6.282 16.632 1.00 0.00 H new ATOM 694 N ALA A 47 17.867 4.071 21.169 1.00 0.00 N ATOM 695 CA ALA A 47 18.014 3.445 22.487 1.00 0.00 C ATOM 696 C ALA A 47 19.088 2.333 22.507 1.00 0.00 C ATOM 697 O ALA A 47 19.643 2.042 23.570 1.00 0.00 O ATOM 698 CB ALA A 47 16.645 2.914 22.940 1.00 0.00 C ATOM 0 H ALA A 47 16.961 3.892 20.736 1.00 0.00 H new ATOM 0 HA ALA A 47 18.366 4.202 23.188 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.742 2.446 23.920 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.936 3.740 23.001 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.284 2.179 22.221 1.00 0.00 H new ATOM 704 N PHE A 48 19.427 1.750 21.348 1.00 0.00 N ATOM 705 CA PHE A 48 20.599 0.883 21.180 1.00 0.00 C ATOM 706 C PHE A 48 21.864 1.750 21.086 1.00 0.00 C ATOM 707 O PHE A 48 22.695 1.729 21.995 1.00 0.00 O ATOM 708 CB PHE A 48 20.396 -0.023 19.947 1.00 0.00 C ATOM 709 CG PHE A 48 21.380 -1.177 19.846 1.00 0.00 C ATOM 710 CD1 PHE A 48 22.714 -0.954 19.443 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.955 -2.490 20.129 1.00 0.00 C ATOM 712 CE1 PHE A 48 23.619 -2.028 19.362 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.856 -3.563 20.039 1.00 0.00 C ATOM 714 CZ PHE A 48 23.193 -3.333 19.662 1.00 0.00 C ATOM 0 H PHE A 48 18.887 1.870 20.491 1.00 0.00 H new ATOM 0 HA PHE A 48 20.722 0.227 22.041 1.00 0.00 H new ATOM 0 HB2 PHE A 48 19.384 -0.426 19.970 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.476 0.586 19.047 1.00 0.00 H new ATOM 0 HD1 PHE A 48 23.041 0.045 19.196 1.00 0.00 H new ATOM 0 HD2 PHE A 48 19.930 -2.672 20.417 1.00 0.00 H new ATOM 0 HE1 PHE A 48 24.643 -1.849 19.069 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.523 -4.566 20.259 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.889 -4.157 19.604 1.00 0.00 H new ATOM 724 N CYS A 49 22.007 2.538 20.016 1.00 0.00 N ATOM 725 CA CYS A 49 23.268 3.199 19.641 1.00 0.00 C ATOM 726 C CYS A 49 23.787 4.231 20.667 1.00 0.00 C ATOM 727 O CYS A 49 24.997 4.303 20.901 1.00 0.00 O ATOM 728 CB CYS A 49 23.083 3.819 18.245 1.00 0.00 C ATOM 729 SG CYS A 49 22.731 2.497 17.041 1.00 0.00 S ATOM 0 H CYS A 49 21.240 2.740 19.374 1.00 0.00 H new ATOM 0 HA CYS A 49 24.050 2.440 19.627 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.266 4.540 18.260 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.982 4.362 17.954 1.00 0.00 H new ATOM 0 HG CYS A 49 22.364 3.025 15.911 1.00 0.00 H new ATOM 735 N THR A 50 22.899 5.002 21.308 1.00 0.00 N ATOM 736 CA THR A 50 23.265 5.973 22.359 1.00 0.00 C ATOM 737 C THR A 50 23.661 5.275 23.660 1.00 0.00 C ATOM 738 O THR A 50 24.541 5.761 24.367 1.00 0.00 O ATOM 739 CB THR A 50 22.127 6.981 22.565 1.00 0.00 C ATOM 740 OG1 THR A 50 21.923 7.659 21.340 1.00 0.00 O ATOM 741 CG2 THR A 50 22.427 8.049 23.623 1.00 0.00 C ATOM 0 H THR A 50 21.898 4.973 21.114 1.00 0.00 H new ATOM 0 HA THR A 50 24.146 6.524 22.029 1.00 0.00 H new ATOM 0 HB THR A 50 21.260 6.414 22.904 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.198 8.310 21.443 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.575 8.724 23.711 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.609 7.568 24.584 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.310 8.616 23.328 1.00 0.00 H new ATOM 749 N SER A 51 23.071 4.120 23.967 1.00 0.00 N ATOM 750 CA SER A 51 23.401 3.329 25.161 1.00 0.00 C ATOM 751 C SER A 51 24.731 2.565 25.014 1.00 0.00 C ATOM 752 O SER A 51 25.526 2.518 25.964 1.00 0.00 O ATOM 753 CB SER A 51 22.243 2.365 25.468 1.00 0.00 C ATOM 754 OG SER A 51 22.412 1.728 26.730 1.00 0.00 O ATOM 0 H SER A 51 22.342 3.699 23.390 1.00 0.00 H new ATOM 0 HA SER A 51 23.536 4.018 25.995 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.301 2.913 25.460 1.00 0.00 H new ATOM 0 HB3 SER A 51 22.180 1.610 24.684 1.00 0.00 H new ATOM 0 HG SER A 51 21.658 1.124 26.895 1.00 0.00 H new ATOM 760 N THR A 52 25.019 1.998 23.830 1.00 0.00 N ATOM 761 CA THR A 52 26.291 1.307 23.535 1.00 0.00 C ATOM 762 C THR A 52 27.433 2.274 23.239 1.00 0.00 C ATOM 763 O THR A 52 28.585 1.919 23.476 1.00 0.00 O ATOM 764 CB THR A 52 26.131 0.322 22.376 1.00 0.00 C ATOM 765 OG1 THR A 52 25.738 1.025 21.213 1.00 0.00 O ATOM 766 CG2 THR A 52 25.105 -0.774 22.690 1.00 0.00 C ATOM 0 H THR A 52 24.371 2.005 23.042 1.00 0.00 H new ATOM 0 HA THR A 52 26.552 0.757 24.439 1.00 0.00 H new ATOM 0 HB THR A 52 27.093 -0.165 22.216 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.777 1.214 21.254 1.00 0.00 H new ATOM 0 HG21 THR A 52 25.024 -1.451 21.839 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.427 -1.333 23.569 1.00 0.00 H new ATOM 0 HG23 THR A 52 24.134 -0.318 22.885 1.00 0.00 H new ATOM 774 N HIS A 53 27.130 3.477 22.736 1.00 0.00 N ATOM 775 CA HIS A 53 28.040 4.572 22.355 1.00 0.00 C ATOM 776 C HIS A 53 28.728 4.337 20.987 1.00 0.00 C ATOM 777 O HIS A 53 29.590 5.122 20.572 1.00 0.00 O ATOM 778 CB HIS A 53 29.060 4.915 23.463 1.00 0.00 C ATOM 779 CG HIS A 53 28.450 5.234 24.808 1.00 0.00 C ATOM 780 ND1 HIS A 53 28.141 4.330 25.797 1.00 0.00 N ATOM 781 CD2 HIS A 53 28.133 6.480 25.291 1.00 0.00 C ATOM 782 CE1 HIS A 53 27.642 5.004 26.845 1.00 0.00 C ATOM 783 NE2 HIS A 53 27.627 6.329 26.592 1.00 0.00 N ATOM 0 H HIS A 53 26.157 3.735 22.569 1.00 0.00 H new ATOM 0 HA HIS A 53 27.405 5.449 22.234 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.744 4.075 23.580 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.655 5.768 23.138 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.252 7.414 24.762 1.00 0.00 H new ATOM 0 HE1 HIS A 53 27.300 4.549 27.763 1.00 0.00 H new ATOM 0 HE2 HIS A 53 27.312 7.070 27.218 1.00 0.00 H new ATOM 791 N LYS A 54 28.374 3.269 20.256 1.00 0.00 N ATOM 792 CA LYS A 54 28.923 2.986 18.923 1.00 0.00 C ATOM 793 C LYS A 54 28.433 4.013 17.878 1.00 0.00 C ATOM 794 O LYS A 54 27.232 4.102 17.599 1.00 0.00 O ATOM 795 CB LYS A 54 28.573 1.543 18.496 1.00 0.00 C ATOM 796 CG LYS A 54 29.601 0.479 18.917 1.00 0.00 C ATOM 797 CD LYS A 54 29.790 0.280 20.432 1.00 0.00 C ATOM 798 CE LYS A 54 30.890 1.180 21.015 1.00 0.00 C ATOM 799 NZ LYS A 54 31.091 0.934 22.466 1.00 0.00 N ATOM 0 H LYS A 54 27.697 2.576 20.575 1.00 0.00 H new ATOM 0 HA LYS A 54 30.008 3.077 18.977 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.604 1.279 18.919 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.466 1.516 17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.306 -0.475 18.480 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.565 0.743 18.483 1.00 0.00 H new ATOM 0 HD2 LYS A 54 28.849 0.487 20.942 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.037 -0.763 20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 54 31.825 1.003 20.483 1.00 0.00 H new ATOM 0 HE3 LYS A 54 30.626 2.226 20.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 31.927 1.458 22.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.253 1.255 22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.234 -0.083 22.629 1.00 0.00 H new ATOM 813 N VAL A 55 29.367 4.750 17.264 1.00 0.00 N ATOM 814 CA VAL A 55 29.099 5.682 16.136 1.00 0.00 C ATOM 815 C VAL A 55 29.050 4.977 14.769 1.00 0.00 C ATOM 816 O VAL A 55 28.565 5.548 13.794 1.00 0.00 O ATOM 817 CB VAL A 55 30.098 6.862 16.097 1.00 0.00 C ATOM 818 CG1 VAL A 55 29.977 7.732 17.361 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.560 6.419 15.911 1.00 0.00 C ATOM 0 H VAL A 55 30.350 4.723 17.534 1.00 0.00 H new ATOM 0 HA VAL A 55 28.105 6.085 16.330 1.00 0.00 H new ATOM 0 HB VAL A 55 29.825 7.449 15.220 1.00 0.00 H new ATOM 0 HG11 VAL A 55 30.691 8.554 17.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 28.966 8.133 17.431 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.188 7.126 18.242 1.00 0.00 H new ATOM 0 HG21 VAL A 55 32.206 7.296 15.892 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.852 5.771 16.737 1.00 0.00 H new ATOM 0 HG23 VAL A 55 31.659 5.876 14.971 1.00 0.00 H new ATOM 829 N GLY A 56 29.522 3.729 14.710 1.00 0.00 N ATOM 830 CA GLY A 56 29.432 2.840 13.547 1.00 0.00 C ATOM 831 C GLY A 56 28.190 1.946 13.600 1.00 0.00 C ATOM 832 O GLY A 56 27.658 1.659 14.673 1.00 0.00 O ATOM 0 H GLY A 56 29.996 3.293 15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 56 29.409 3.437 12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 56 30.325 2.217 13.498 1.00 0.00 H new ATOM 836 N LEU A 57 27.753 1.483 12.427 1.00 0.00 N ATOM 837 CA LEU A 57 26.596 0.599 12.220 1.00 0.00 C ATOM 838 C LEU A 57 27.016 -0.602 11.354 1.00 0.00 C ATOM 839 O LEU A 57 27.793 -0.442 10.406 1.00 0.00 O ATOM 840 CB LEU A 57 25.464 1.418 11.566 1.00 0.00 C ATOM 841 CG LEU A 57 24.739 2.328 12.582 1.00 0.00 C ATOM 842 CD1 LEU A 57 24.248 3.614 11.908 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.559 1.585 13.226 1.00 0.00 C ATOM 0 H LEU A 57 28.216 1.724 11.551 1.00 0.00 H new ATOM 0 HA LEU A 57 26.231 0.205 13.168 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.877 2.029 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.743 0.739 11.110 1.00 0.00 H new ATOM 0 HG LEU A 57 25.451 2.597 13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.741 4.239 12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 57 25.099 4.156 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.555 3.362 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 57 23.061 2.242 13.939 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.852 1.286 12.453 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.926 0.699 13.744 1.00 0.00 H new ATOM 855 N THR A 58 26.522 -1.799 11.693 1.00 0.00 N ATOM 856 CA THR A 58 26.899 -3.092 11.082 1.00 0.00 C ATOM 857 C THR A 58 25.700 -4.024 11.017 1.00 0.00 C ATOM 858 O THR A 58 24.729 -3.863 11.754 1.00 0.00 O ATOM 859 CB THR A 58 28.025 -3.785 11.868 1.00 0.00 C ATOM 860 OG1 THR A 58 27.542 -4.139 13.149 1.00 0.00 O ATOM 861 CG2 THR A 58 29.281 -2.931 12.034 1.00 0.00 C ATOM 0 H THR A 58 25.822 -1.904 12.427 1.00 0.00 H new ATOM 0 HA THR A 58 27.255 -2.876 10.075 1.00 0.00 H new ATOM 0 HB THR A 58 28.315 -4.661 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.254 -4.583 13.656 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.028 -3.489 12.598 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.682 -2.679 11.052 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.030 -2.016 12.570 1.00 0.00 H new ATOM 869 N SER A 59 25.784 -5.063 10.190 1.00 0.00 N ATOM 870 CA SER A 59 24.749 -6.106 10.123 1.00 0.00 C ATOM 871 C SER A 59 24.529 -6.793 11.487 1.00 0.00 C ATOM 872 O SER A 59 23.398 -7.156 11.815 1.00 0.00 O ATOM 873 CB SER A 59 25.128 -7.159 9.069 1.00 0.00 C ATOM 874 OG SER A 59 25.366 -6.567 7.794 1.00 0.00 O ATOM 0 H SER A 59 26.564 -5.211 9.549 1.00 0.00 H new ATOM 0 HA SER A 59 23.815 -5.619 9.841 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.020 -7.694 9.394 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.328 -7.894 8.985 1.00 0.00 H new ATOM 0 HG SER A 59 25.606 -7.265 7.149 1.00 0.00 H new ATOM 880 N GLU A 60 25.578 -6.924 12.308 1.00 0.00 N ATOM 881 CA GLU A 60 25.501 -7.491 13.654 1.00 0.00 C ATOM 882 C GLU A 60 24.747 -6.548 14.610 1.00 0.00 C ATOM 883 O GLU A 60 23.932 -7.016 15.405 1.00 0.00 O ATOM 884 CB GLU A 60 26.910 -7.776 14.201 1.00 0.00 C ATOM 885 CG GLU A 60 27.732 -8.780 13.373 1.00 0.00 C ATOM 886 CD GLU A 60 27.067 -10.166 13.306 1.00 0.00 C ATOM 887 OE1 GLU A 60 27.123 -10.921 14.309 1.00 0.00 O ATOM 888 OE2 GLU A 60 26.503 -10.526 12.245 1.00 0.00 O ATOM 0 H GLU A 60 26.520 -6.633 12.048 1.00 0.00 H new ATOM 0 HA GLU A 60 24.949 -8.429 13.589 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.460 -6.836 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.820 -8.154 15.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.862 -8.393 12.362 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.727 -8.878 13.808 1.00 0.00 H new ATOM 895 N ILE A 61 24.956 -5.227 14.516 1.00 0.00 N ATOM 896 CA ILE A 61 24.220 -4.236 15.323 1.00 0.00 C ATOM 897 C ILE A 61 22.724 -4.263 14.988 1.00 0.00 C ATOM 898 O ILE A 61 21.902 -4.293 15.905 1.00 0.00 O ATOM 899 CB ILE A 61 24.870 -2.837 15.167 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.183 -2.815 15.985 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.925 -1.695 15.597 1.00 0.00 C ATOM 902 CD1 ILE A 61 27.078 -1.603 15.711 1.00 0.00 C ATOM 0 H ILE A 61 25.638 -4.813 13.880 1.00 0.00 H new ATOM 0 HA ILE A 61 24.290 -4.495 16.379 1.00 0.00 H new ATOM 0 HB ILE A 61 25.082 -2.665 14.112 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.936 -2.837 17.046 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.746 -3.723 15.770 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.429 -0.737 15.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.025 -1.717 14.983 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.653 -1.823 16.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.976 -1.667 16.326 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.359 -1.589 14.658 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.537 -0.689 15.954 1.00 0.00 H new ATOM 914 N LEU A 62 22.343 -4.325 13.706 1.00 0.00 N ATOM 915 CA LEU A 62 20.927 -4.352 13.310 1.00 0.00 C ATOM 916 C LEU A 62 20.246 -5.708 13.580 1.00 0.00 C ATOM 917 O LEU A 62 19.065 -5.726 13.930 1.00 0.00 O ATOM 918 CB LEU A 62 20.756 -3.893 11.845 1.00 0.00 C ATOM 919 CG LEU A 62 20.886 -2.379 11.541 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.096 -1.516 12.540 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.326 -1.867 11.478 1.00 0.00 C ATOM 0 H LEU A 62 22.996 -4.358 12.923 1.00 0.00 H new ATOM 0 HA LEU A 62 20.407 -3.637 13.948 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.494 -4.420 11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.773 -4.220 11.504 1.00 0.00 H new ATOM 0 HG LEU A 62 20.459 -2.278 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.217 -0.463 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.040 -1.781 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.470 -1.692 13.548 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.323 -0.799 11.261 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.816 -2.041 12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 62 22.866 -2.396 10.692 1.00 0.00 H new ATOM 933 N ASN A 63 20.964 -6.835 13.496 1.00 0.00 N ATOM 934 CA ASN A 63 20.434 -8.128 13.956 1.00 0.00 C ATOM 935 C ASN A 63 20.385 -8.235 15.495 1.00 0.00 C ATOM 936 O ASN A 63 19.514 -8.920 16.036 1.00 0.00 O ATOM 937 CB ASN A 63 21.214 -9.291 13.326 1.00 0.00 C ATOM 938 CG ASN A 63 20.767 -9.553 11.891 1.00 0.00 C ATOM 939 OD1 ASN A 63 19.844 -10.318 11.635 1.00 0.00 O ATOM 940 ND2 ASN A 63 21.366 -8.904 10.914 1.00 0.00 N ATOM 0 H ASN A 63 21.909 -6.880 13.116 1.00 0.00 H new ATOM 0 HA ASN A 63 19.400 -8.192 13.617 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.280 -9.065 13.340 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.071 -10.192 13.923 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.061 -9.039 9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.135 -8.266 11.121 1.00 0.00 H new ATOM 947 N SER A 64 21.238 -7.527 16.236 1.00 0.00 N ATOM 948 CA SER A 64 21.092 -7.374 17.695 1.00 0.00 C ATOM 949 C SER A 64 19.884 -6.492 18.062 1.00 0.00 C ATOM 950 O SER A 64 19.109 -6.847 18.953 1.00 0.00 O ATOM 951 CB SER A 64 22.396 -6.836 18.299 1.00 0.00 C ATOM 952 OG SER A 64 22.408 -7.019 19.708 1.00 0.00 O ATOM 0 H SER A 64 22.048 -7.043 15.850 1.00 0.00 H new ATOM 0 HA SER A 64 20.895 -8.356 18.124 1.00 0.00 H new ATOM 0 HB2 SER A 64 23.248 -7.349 17.853 1.00 0.00 H new ATOM 0 HB3 SER A 64 22.502 -5.777 18.064 1.00 0.00 H new ATOM 0 HG SER A 64 23.247 -6.671 20.076 1.00 0.00 H new ATOM 958 N PHE A 65 19.626 -5.412 17.309 1.00 0.00 N ATOM 959 CA PHE A 65 18.429 -4.576 17.457 1.00 0.00 C ATOM 960 C PHE A 65 17.116 -5.346 17.225 1.00 0.00 C ATOM 961 O PHE A 65 16.136 -5.102 17.930 1.00 0.00 O ATOM 962 CB PHE A 65 18.529 -3.363 16.527 1.00 0.00 C ATOM 963 CG PHE A 65 17.280 -2.499 16.513 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.892 -1.797 17.671 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.479 -2.428 15.354 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.710 -1.032 17.668 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.311 -1.646 15.349 1.00 0.00 C ATOM 968 CZ PHE A 65 14.923 -0.948 16.505 1.00 0.00 C ATOM 0 H PHE A 65 20.253 -5.092 16.571 1.00 0.00 H new ATOM 0 HA PHE A 65 18.395 -4.241 18.494 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.379 -2.752 16.831 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.732 -3.709 15.514 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.501 -1.846 18.561 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.764 -2.976 14.468 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.406 -0.508 18.562 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.710 -1.581 14.454 1.00 0.00 H new ATOM 0 HZ PHE A 65 14.024 -0.349 16.501 1.00 0.00 H new ATOM 978 N GLU A 66 17.106 -6.320 16.305 1.00 0.00 N ATOM 979 CA GLU A 66 15.976 -7.245 16.131 1.00 0.00 C ATOM 980 C GLU A 66 15.638 -7.971 17.451 1.00 0.00 C ATOM 981 O GLU A 66 14.477 -8.041 17.847 1.00 0.00 O ATOM 982 CB GLU A 66 16.294 -8.245 15.006 1.00 0.00 C ATOM 983 CG GLU A 66 15.090 -9.116 14.625 1.00 0.00 C ATOM 984 CD GLU A 66 15.478 -10.158 13.568 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.629 -9.787 12.381 1.00 0.00 O ATOM 986 OE2 GLU A 66 15.660 -11.353 13.909 1.00 0.00 O ATOM 0 H GLU A 66 17.879 -6.489 15.661 1.00 0.00 H new ATOM 0 HA GLU A 66 15.093 -6.671 15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.634 -7.699 14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.117 -8.888 15.320 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.705 -9.619 15.512 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.287 -8.486 14.242 1.00 0.00 H new ATOM 993 N HIS A 67 16.646 -8.452 18.180 1.00 0.00 N ATOM 994 CA HIS A 67 16.471 -9.114 19.478 1.00 0.00 C ATOM 995 C HIS A 67 16.172 -8.137 20.644 1.00 0.00 C ATOM 996 O HIS A 67 15.551 -8.520 21.638 1.00 0.00 O ATOM 997 CB HIS A 67 17.726 -9.944 19.774 1.00 0.00 C ATOM 998 CG HIS A 67 17.893 -11.128 18.853 1.00 0.00 C ATOM 999 ND1 HIS A 67 18.455 -11.137 17.594 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.493 -12.412 19.112 1.00 0.00 C ATOM 1001 CE1 HIS A 67 18.396 -12.391 17.111 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.818 -13.216 18.008 1.00 0.00 N ATOM 0 H HIS A 67 17.620 -8.393 17.884 1.00 0.00 H new ATOM 0 HA HIS A 67 15.590 -9.752 19.406 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.604 -9.303 19.692 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.684 -10.298 20.804 1.00 0.00 H new ATOM 0 HD1 HIS A 67 18.849 -10.330 17.111 1.00 0.00 H new ATOM 0 HD2 HIS A 67 17.008 -12.750 20.016 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.760 -12.695 16.141 1.00 0.00 H new ATOM 1010 N GLU A 68 16.613 -6.884 20.517 1.00 0.00 N ATOM 1011 CA GLU A 68 16.459 -5.819 21.514 1.00 0.00 C ATOM 1012 C GLU A 68 15.003 -5.329 21.669 1.00 0.00 C ATOM 1013 O GLU A 68 14.636 -4.832 22.737 1.00 0.00 O ATOM 1014 CB GLU A 68 17.390 -4.657 21.121 1.00 0.00 C ATOM 1015 CG GLU A 68 17.507 -3.510 22.130 1.00 0.00 C ATOM 1016 CD GLU A 68 18.074 -3.938 23.497 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.032 -4.750 23.548 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.579 -3.450 24.544 1.00 0.00 O ATOM 0 H GLU A 68 17.108 -6.569 19.683 1.00 0.00 H new ATOM 0 HA GLU A 68 16.732 -6.223 22.489 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.387 -5.062 20.946 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.042 -4.245 20.174 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.146 -2.733 21.710 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.522 -3.068 22.278 1.00 0.00 H new ATOM 1025 N PHE A 69 14.166 -5.474 20.631 1.00 0.00 N ATOM 1026 CA PHE A 69 12.827 -4.868 20.596 1.00 0.00 C ATOM 1027 C PHE A 69 11.809 -5.612 19.714 1.00 0.00 C ATOM 1028 O PHE A 69 10.649 -5.725 20.114 1.00 0.00 O ATOM 1029 CB PHE A 69 12.996 -3.393 20.165 1.00 0.00 C ATOM 1030 CG PHE A 69 11.709 -2.629 19.890 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.711 -2.536 20.879 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.520 -1.983 18.651 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.528 -1.824 20.619 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.329 -1.282 18.384 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.331 -1.203 19.371 1.00 0.00 C ATOM 0 H PHE A 69 14.397 -6.012 19.796 1.00 0.00 H new ATOM 0 HA PHE A 69 12.395 -4.938 21.594 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.548 -2.868 20.945 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.611 -3.366 19.266 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.855 -3.012 21.838 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.296 -2.026 17.901 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.766 -1.753 21.381 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.182 -0.807 17.425 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.415 -0.667 19.172 1.00 0.00 H new ATOM 1045 N LEU A 70 12.200 -6.125 18.539 1.00 0.00 N ATOM 1046 CA LEU A 70 11.253 -6.654 17.546 1.00 0.00 C ATOM 1047 C LEU A 70 10.858 -8.111 17.827 1.00 0.00 C ATOM 1048 O LEU A 70 9.665 -8.419 17.884 1.00 0.00 O ATOM 1049 CB LEU A 70 11.808 -6.460 16.115 1.00 0.00 C ATOM 1050 CG LEU A 70 11.922 -5.007 15.587 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.636 -4.203 15.824 1.00 0.00 C ATOM 1052 CD2 LEU A 70 13.119 -4.228 16.139 1.00 0.00 C ATOM 0 H LEU A 70 13.177 -6.185 18.251 1.00 0.00 H new ATOM 0 HA LEU A 70 10.330 -6.080 17.629 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.799 -6.913 16.073 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.173 -7.019 15.428 1.00 0.00 H new ATOM 0 HG LEU A 70 12.084 -5.126 14.516 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.763 -3.192 15.438 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.805 -4.686 15.310 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.426 -4.160 16.893 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.124 -3.222 15.719 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.044 -4.167 17.225 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.042 -4.739 15.867 1.00 0.00 H new ATOM 1064 N SER A 71 11.822 -8.991 18.102 1.00 0.00 N ATOM 1065 CA SER A 71 11.566 -10.393 18.490 1.00 0.00 C ATOM 1066 C SER A 71 10.820 -10.533 19.830 1.00 0.00 C ATOM 1067 O SER A 71 10.232 -11.578 20.109 1.00 0.00 O ATOM 1068 CB SER A 71 12.883 -11.173 18.581 1.00 0.00 C ATOM 1069 OG SER A 71 13.514 -11.274 17.313 1.00 0.00 O ATOM 0 H SER A 71 12.814 -8.756 18.063 1.00 0.00 H new ATOM 0 HA SER A 71 10.925 -10.802 17.709 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.553 -10.678 19.284 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.690 -12.171 18.974 1.00 0.00 H new ATOM 0 HG SER A 71 14.352 -11.775 17.403 1.00 0.00 H new ATOM 1075 N LYS A 72 10.788 -9.475 20.650 1.00 0.00 N ATOM 1076 CA LYS A 72 10.006 -9.408 21.898 1.00 0.00 C ATOM 1077 C LYS A 72 8.482 -9.252 21.668 1.00 0.00 C ATOM 1078 O LYS A 72 7.723 -9.255 22.645 1.00 0.00 O ATOM 1079 CB LYS A 72 10.567 -8.273 22.775 1.00 0.00 C ATOM 1080 CG LYS A 72 12.076 -8.421 23.052 1.00 0.00 C ATOM 1081 CD LYS A 72 12.553 -7.455 24.144 1.00 0.00 C ATOM 1082 CE LYS A 72 14.072 -7.495 24.359 1.00 0.00 C ATOM 1083 NZ LYS A 72 14.558 -8.821 24.817 1.00 0.00 N ATOM 0 H LYS A 72 11.315 -8.622 20.463 1.00 0.00 H new ATOM 0 HA LYS A 72 10.113 -10.364 22.411 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.385 -7.317 22.284 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.029 -8.253 23.723 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.291 -9.446 23.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.634 -8.236 22.134 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.256 -6.440 23.879 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.053 -7.699 25.081 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.572 -7.233 23.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.350 -6.739 25.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.590 -8.787 24.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.105 -9.064 25.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.321 -9.542 24.106 1.00 0.00 H new ATOM 1097 N ARG A 73 8.058 -9.116 20.396 1.00 0.00 N ATOM 1098 CA ARG A 73 6.697 -8.963 19.841 1.00 0.00 C ATOM 1099 C ARG A 73 6.317 -7.478 19.762 1.00 0.00 C ATOM 1100 O ARG A 73 6.588 -6.712 20.693 1.00 0.00 O ATOM 1101 CB ARG A 73 5.606 -9.776 20.567 1.00 0.00 C ATOM 1102 CG ARG A 73 5.886 -11.290 20.591 1.00 0.00 C ATOM 1103 CD ARG A 73 4.787 -12.030 21.364 1.00 0.00 C ATOM 1104 NE ARG A 73 5.069 -13.475 21.447 1.00 0.00 N ATOM 1105 CZ ARG A 73 4.386 -14.371 22.149 1.00 0.00 C ATOM 1106 NH1 ARG A 73 3.329 -14.038 22.865 1.00 0.00 N ATOM 1107 NH2 ARG A 73 4.760 -15.633 22.132 1.00 0.00 N ATOM 0 H ARG A 73 8.745 -9.110 19.642 1.00 0.00 H new ATOM 0 HA ARG A 73 6.740 -9.388 18.838 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.515 -9.415 21.591 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.647 -9.599 20.080 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.941 -11.671 19.571 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.854 -11.479 21.054 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.704 -11.615 22.369 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.826 -11.873 20.874 1.00 0.00 H new ATOM 0 HE ARG A 73 5.867 -13.820 20.913 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.015 -13.068 22.890 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.826 -14.751 23.393 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.570 -15.917 21.582 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.240 -16.326 22.669 1.00 0.00 H new ATOM 1121 N LEU A 74 5.676 -7.075 18.659 1.00 0.00 N ATOM 1122 CA LEU A 74 5.280 -5.689 18.382 1.00 0.00 C ATOM 1123 C LEU A 74 3.800 -5.592 17.971 1.00 0.00 C ATOM 1124 O LEU A 74 3.448 -5.588 16.790 1.00 0.00 O ATOM 1125 CB LEU A 74 6.255 -5.098 17.338 1.00 0.00 C ATOM 1126 CG LEU A 74 6.040 -3.601 17.032 1.00 0.00 C ATOM 1127 CD1 LEU A 74 6.167 -2.717 18.281 1.00 0.00 C ATOM 1128 CD2 LEU A 74 7.066 -3.145 15.989 1.00 0.00 C ATOM 0 H LEU A 74 5.411 -7.720 17.915 1.00 0.00 H new ATOM 0 HA LEU A 74 5.354 -5.089 19.289 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.276 -5.240 17.693 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.159 -5.662 16.410 1.00 0.00 H new ATOM 0 HG LEU A 74 5.023 -3.491 16.654 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.006 -1.674 18.007 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.421 -3.018 19.017 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.164 -2.831 18.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.917 -2.088 15.770 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.073 -3.297 16.378 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.939 -3.726 15.075 1.00 0.00 H new ATOM 1140 N SER A 75 2.922 -5.479 18.966 1.00 0.00 N ATOM 1141 CA SER A 75 1.457 -5.412 18.808 1.00 0.00 C ATOM 1142 C SER A 75 0.942 -4.110 18.157 1.00 0.00 C ATOM 1143 O SER A 75 -0.247 -3.974 17.866 1.00 0.00 O ATOM 1144 CB SER A 75 0.795 -5.582 20.185 1.00 0.00 C ATOM 1145 OG SER A 75 1.292 -6.723 20.881 1.00 0.00 O ATOM 0 H SER A 75 3.214 -5.429 19.942 1.00 0.00 H new ATOM 0 HA SER A 75 1.188 -6.219 18.126 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.970 -4.688 20.784 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.284 -5.676 20.059 1.00 0.00 H new ATOM 0 HG SER A 75 0.848 -6.794 21.751 1.00 0.00 H new ATOM 1151 N LYS A 76 1.828 -3.137 17.905 1.00 0.00 N ATOM 1152 CA LYS A 76 1.510 -1.856 17.258 1.00 0.00 C ATOM 1153 C LYS A 76 1.092 -1.986 15.776 1.00 0.00 C ATOM 1154 O LYS A 76 0.536 -1.037 15.218 1.00 0.00 O ATOM 1155 CB LYS A 76 2.728 -0.922 17.390 1.00 0.00 C ATOM 1156 CG LYS A 76 3.167 -0.600 18.827 1.00 0.00 C ATOM 1157 CD LYS A 76 2.118 0.201 19.623 1.00 0.00 C ATOM 1158 CE LYS A 76 2.596 0.519 21.048 1.00 0.00 C ATOM 1159 NZ LYS A 76 3.710 1.503 21.083 1.00 0.00 N ATOM 0 H LYS A 76 2.814 -3.221 18.153 1.00 0.00 H new ATOM 0 HA LYS A 76 0.640 -1.444 17.770 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.569 -1.375 16.866 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.502 0.014 16.880 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.377 -1.532 19.352 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.098 -0.035 18.796 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.898 1.131 19.099 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.188 -0.366 19.671 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.758 0.907 21.628 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.918 -0.403 21.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.977 1.690 22.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.529 1.119 20.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.404 2.390 20.634 1.00 0.00 H new ATOM 1173 N ALA A 77 1.340 -3.143 15.142 1.00 0.00 N ATOM 1174 CA ALA A 77 1.001 -3.424 13.742 1.00 0.00 C ATOM 1175 C ALA A 77 0.775 -4.919 13.431 1.00 0.00 C ATOM 1176 O ALA A 77 -0.156 -5.242 12.690 1.00 0.00 O ATOM 1177 CB ALA A 77 2.116 -2.837 12.864 1.00 0.00 C ATOM 0 H ALA A 77 1.795 -3.930 15.605 1.00 0.00 H new ATOM 0 HA ALA A 77 0.040 -2.956 13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.893 -3.030 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.181 -1.762 13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.067 -3.302 13.124 1.00 0.00 H new ATOM 1183 N ARG A 78 1.595 -5.829 13.985 1.00 0.00 N ATOM 1184 CA ARG A 78 1.472 -7.292 13.799 1.00 0.00 C ATOM 1185 C ARG A 78 0.472 -7.925 14.775 1.00 0.00 C ATOM 1186 O ARG A 78 -0.392 -8.704 14.316 1.00 0.00 O ATOM 1187 CB ARG A 78 2.868 -7.943 13.885 1.00 0.00 C ATOM 1188 CG ARG A 78 2.839 -9.425 13.474 1.00 0.00 C ATOM 1189 CD ARG A 78 4.254 -9.992 13.296 1.00 0.00 C ATOM 1190 NE ARG A 78 4.218 -11.447 13.077 1.00 0.00 N ATOM 1191 CZ ARG A 78 4.813 -12.152 12.131 1.00 0.00 C ATOM 1192 NH1 ARG A 78 5.519 -11.621 11.174 1.00 0.00 N ATOM 1193 NH2 ARG A 78 4.709 -13.448 12.134 1.00 0.00 N ATOM 1194 OXT ARG A 78 0.533 -7.626 15.988 1.00 0.00 O ATOM 0 H ARG A 78 2.377 -5.567 14.586 1.00 0.00 H new ATOM 0 HA ARG A 78 1.064 -7.479 12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.561 -7.402 13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.246 -7.857 14.904 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.308 -10.002 14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.283 -9.534 12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.740 -9.506 12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.852 -9.769 14.179 1.00 0.00 H new ATOM 0 HE ARG A 78 3.660 -11.981 13.743 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.636 -10.609 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.955 -12.217 10.471 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.170 -13.915 12.864 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.166 -13.998 11.407 1.00 0.00 H new TER 1208 ARG A 78