USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=20 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 36 GLN : amide:sc= 0.728 K(o=1.7,f=-7.6!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 179:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 31 CYS SG : rot 130:sc= -0.128 USER MOD Set 2.2: A 41 MET CE :methyl 164:sc=-0.00877 (180deg=-0.194) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -138:sc= 1.49 (180deg=0.797) USER MOD Set 3.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 63 ASN : amide:sc= 0.283 K(o=1.8,f=-1.1) USER MOD Set 4.1: A 6 GLN : amide:sc= 0 X(o=-0.0094,f=-0.17) USER MOD Set 4.2: A 7 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-1.4!) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000938) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.673 K(o=0.67,f=-0.0056) USER MOD Single : A 19 CYS SG : rot -130:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.635 K(o=0.64,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.64 K(o=0.64,f=-3.4!) USER MOD Single : A 49 CYS SG : rot 81:sc= 0.279 USER MOD Single : A 50 THR OG1 : rot 80:sc= 0.133 USER MOD Single : A 51 SER OG : rot 78:sc= 0.782 USER MOD Single : A 52 THR OG1 : rot -78:sc= 0.0365 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 0.967 (180deg=0.478) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 78:sc= 0.779 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.292 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 0.966 (180deg=0.622) USER MOD Single : A 75 SER OG : rot 180:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.971 -2.110 -2.221 1.00 0.00 N ATOM 2 CA MET A 1 5.952 -2.567 -1.205 1.00 0.00 C ATOM 3 C MET A 1 5.945 -1.613 -0.014 1.00 0.00 C ATOM 4 O MET A 1 5.957 -0.394 -0.198 1.00 0.00 O ATOM 5 CB MET A 1 7.379 -2.716 -1.773 1.00 0.00 C ATOM 6 CG MET A 1 7.511 -3.841 -2.809 1.00 0.00 C ATOM 7 SD MET A 1 7.006 -5.502 -2.253 1.00 0.00 S ATOM 8 CE MET A 1 8.291 -5.861 -1.021 1.00 0.00 C ATOM 0 H1 MET A 1 4.980 -2.763 -3.030 1.00 0.00 H new ATOM 0 H2 MET A 1 4.020 -2.091 -1.801 1.00 0.00 H new ATOM 0 H3 MET A 1 5.226 -1.155 -2.544 1.00 0.00 H new ATOM 0 HA MET A 1 5.644 -3.561 -0.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.679 -1.774 -2.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.070 -2.906 -0.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.916 -3.575 -3.683 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.550 -3.889 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.127 -6.854 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.271 -5.824 -1.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.247 -5.120 -0.223 1.00 0.00 H new ATOM 18 N SER A 2 5.880 -2.139 1.209 1.00 0.00 N ATOM 19 CA SER A 2 5.756 -1.317 2.423 1.00 0.00 C ATOM 20 C SER A 2 7.059 -0.570 2.781 1.00 0.00 C ATOM 21 O SER A 2 8.163 -1.025 2.459 1.00 0.00 O ATOM 22 CB SER A 2 5.296 -2.173 3.616 1.00 0.00 C ATOM 23 OG SER A 2 4.108 -2.888 3.296 1.00 0.00 O ATOM 0 H SER A 2 5.911 -3.142 1.391 1.00 0.00 H new ATOM 0 HA SER A 2 5.002 -0.561 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.084 -2.873 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.120 -1.534 4.481 1.00 0.00 H new ATOM 0 HG SER A 2 3.833 -3.427 4.067 1.00 0.00 H new ATOM 29 N ALA A 3 6.913 0.577 3.456 1.00 0.00 N ATOM 30 CA ALA A 3 7.966 1.519 3.877 1.00 0.00 C ATOM 31 C ALA A 3 8.731 2.153 2.698 1.00 0.00 C ATOM 32 O ALA A 3 8.522 3.326 2.410 1.00 0.00 O ATOM 33 CB ALA A 3 8.889 0.861 4.922 1.00 0.00 C ATOM 0 H ALA A 3 5.989 0.898 3.745 1.00 0.00 H new ATOM 0 HA ALA A 3 7.474 2.365 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.661 1.569 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.303 0.571 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.357 -0.023 4.489 1.00 0.00 H new ATOM 39 N SER A 4 9.601 1.380 2.044 1.00 0.00 N ATOM 40 CA SER A 4 10.542 1.768 0.969 1.00 0.00 C ATOM 41 C SER A 4 11.823 2.438 1.504 1.00 0.00 C ATOM 42 O SER A 4 11.821 3.144 2.518 1.00 0.00 O ATOM 43 CB SER A 4 9.884 2.638 -0.120 1.00 0.00 C ATOM 44 OG SER A 4 10.707 2.702 -1.280 1.00 0.00 O ATOM 0 H SER A 4 9.679 0.387 2.263 1.00 0.00 H new ATOM 0 HA SER A 4 10.837 0.829 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.910 2.226 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.712 3.643 0.265 1.00 0.00 H new ATOM 0 HG SER A 4 10.271 3.257 -1.960 1.00 0.00 H new ATOM 50 N ALA A 5 12.942 2.227 0.800 1.00 0.00 N ATOM 51 CA ALA A 5 14.281 2.624 1.243 1.00 0.00 C ATOM 52 C ALA A 5 14.437 4.143 1.403 1.00 0.00 C ATOM 53 O ALA A 5 14.968 4.603 2.414 1.00 0.00 O ATOM 54 CB ALA A 5 15.296 2.041 0.248 1.00 0.00 C ATOM 0 H ALA A 5 12.940 1.767 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 5 14.460 2.224 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.305 2.320 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.209 0.955 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.095 2.434 -0.749 1.00 0.00 H new ATOM 60 N GLN A 6 13.936 4.930 0.449 1.00 0.00 N ATOM 61 CA GLN A 6 14.067 6.392 0.474 1.00 0.00 C ATOM 62 C GLN A 6 13.279 7.054 1.621 1.00 0.00 C ATOM 63 O GLN A 6 13.659 8.128 2.085 1.00 0.00 O ATOM 64 CB GLN A 6 13.679 6.973 -0.903 1.00 0.00 C ATOM 65 CG GLN A 6 12.194 6.790 -1.282 1.00 0.00 C ATOM 66 CD GLN A 6 11.817 7.459 -2.609 1.00 0.00 C ATOM 67 OE1 GLN A 6 12.616 7.607 -3.529 1.00 0.00 O ATOM 68 NE2 GLN A 6 10.578 7.887 -2.761 1.00 0.00 N ATOM 0 H GLN A 6 13.429 4.575 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 6 15.112 6.625 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.915 8.037 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.296 6.503 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.971 5.725 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 6 11.571 7.200 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.902 7.771 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.296 8.333 -3.634 1.00 0.00 H new ATOM 77 N GLN A 7 12.209 6.411 2.104 1.00 0.00 N ATOM 78 CA GLN A 7 11.411 6.919 3.220 1.00 0.00 C ATOM 79 C GLN A 7 12.092 6.629 4.562 1.00 0.00 C ATOM 80 O GLN A 7 12.154 7.508 5.422 1.00 0.00 O ATOM 81 CB GLN A 7 10.002 6.295 3.197 1.00 0.00 C ATOM 82 CG GLN A 7 9.218 6.526 1.891 1.00 0.00 C ATOM 83 CD GLN A 7 8.988 8.002 1.554 1.00 0.00 C ATOM 84 OE1 GLN A 7 9.488 8.528 0.567 1.00 0.00 O ATOM 85 NE2 GLN A 7 8.238 8.738 2.358 1.00 0.00 N ATOM 0 H GLN A 7 11.874 5.523 1.730 1.00 0.00 H new ATOM 0 HA GLN A 7 11.324 8.000 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.092 5.222 3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.426 6.702 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.757 6.056 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.252 6.027 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.813 8.318 3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.085 9.725 2.151 1.00 0.00 H new ATOM 94 N LEU A 8 12.644 5.422 4.742 1.00 0.00 N ATOM 95 CA LEU A 8 13.368 5.061 5.963 1.00 0.00 C ATOM 96 C LEU A 8 14.697 5.822 6.085 1.00 0.00 C ATOM 97 O LEU A 8 15.023 6.314 7.165 1.00 0.00 O ATOM 98 CB LEU A 8 13.521 3.529 6.024 1.00 0.00 C ATOM 99 CG LEU A 8 13.978 3.054 7.420 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.260 1.762 7.830 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.498 2.833 7.479 1.00 0.00 C ATOM 0 H LEU A 8 12.601 4.675 4.049 1.00 0.00 H new ATOM 0 HA LEU A 8 12.793 5.370 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.570 3.058 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.244 3.206 5.275 1.00 0.00 H new ATOM 0 HG LEU A 8 13.715 3.847 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.603 1.453 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.184 1.937 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.482 0.977 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.779 2.499 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.784 2.075 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.011 3.768 7.251 1.00 0.00 H new ATOM 113 N ALA A 9 15.431 5.994 4.978 1.00 0.00 N ATOM 114 CA ALA A 9 16.658 6.795 4.934 1.00 0.00 C ATOM 115 C ALA A 9 16.432 8.283 5.262 1.00 0.00 C ATOM 116 O ALA A 9 17.322 8.923 5.822 1.00 0.00 O ATOM 117 CB ALA A 9 17.290 6.614 3.549 1.00 0.00 C ATOM 0 H ALA A 9 15.186 5.576 4.080 1.00 0.00 H new ATOM 0 HA ALA A 9 17.332 6.439 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.207 7.200 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.521 5.561 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.592 6.952 2.783 1.00 0.00 H new ATOM 123 N GLU A 10 15.243 8.830 4.980 1.00 0.00 N ATOM 124 CA GLU A 10 14.881 10.192 5.383 1.00 0.00 C ATOM 125 C GLU A 10 14.789 10.322 6.917 1.00 0.00 C ATOM 126 O GLU A 10 15.183 11.352 7.460 1.00 0.00 O ATOM 127 CB GLU A 10 13.580 10.621 4.682 1.00 0.00 C ATOM 128 CG GLU A 10 13.273 12.108 4.886 1.00 0.00 C ATOM 129 CD GLU A 10 12.108 12.563 3.997 1.00 0.00 C ATOM 130 OE1 GLU A 10 10.928 12.413 4.402 1.00 0.00 O ATOM 131 OE2 GLU A 10 12.361 13.086 2.883 1.00 0.00 O ATOM 0 H GLU A 10 14.508 8.342 4.468 1.00 0.00 H new ATOM 0 HA GLU A 10 15.672 10.872 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.659 10.411 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.751 10.025 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.028 12.291 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.160 12.699 4.658 1.00 0.00 H new ATOM 138 N GLU A 11 14.354 9.276 7.636 1.00 0.00 N ATOM 139 CA GLU A 11 14.354 9.254 9.105 1.00 0.00 C ATOM 140 C GLU A 11 15.785 9.151 9.662 1.00 0.00 C ATOM 141 O GLU A 11 16.136 9.914 10.565 1.00 0.00 O ATOM 142 CB GLU A 11 13.470 8.117 9.651 1.00 0.00 C ATOM 143 CG GLU A 11 11.995 8.206 9.232 1.00 0.00 C ATOM 144 CD GLU A 11 11.322 9.506 9.706 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.209 9.722 10.935 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.894 10.317 8.854 1.00 0.00 O ATOM 0 H GLU A 11 13.992 8.421 7.214 1.00 0.00 H new ATOM 0 HA GLU A 11 13.929 10.199 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.875 7.163 9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.527 8.119 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.925 8.140 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.454 7.352 9.639 1.00 0.00 H new ATOM 153 N LEU A 12 16.642 8.280 9.094 1.00 0.00 N ATOM 154 CA LEU A 12 18.063 8.186 9.442 1.00 0.00 C ATOM 155 C LEU A 12 18.773 9.542 9.312 1.00 0.00 C ATOM 156 O LEU A 12 19.584 9.890 10.167 1.00 0.00 O ATOM 157 CB LEU A 12 18.769 7.141 8.548 1.00 0.00 C ATOM 158 CG LEU A 12 18.248 5.689 8.608 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.052 4.816 7.638 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.378 5.079 10.005 1.00 0.00 C ATOM 0 H LEU A 12 16.358 7.617 8.373 1.00 0.00 H new ATOM 0 HA LEU A 12 18.121 7.872 10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.702 7.481 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.827 7.131 8.812 1.00 0.00 H new ATOM 0 HG LEU A 12 17.192 5.720 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.684 3.791 7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.940 5.200 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.105 4.835 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.998 4.058 9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.426 5.072 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.803 5.672 10.716 1.00 0.00 H new ATOM 172 N GLN A 13 18.449 10.323 8.282 1.00 0.00 N ATOM 173 CA GLN A 13 19.048 11.635 8.013 1.00 0.00 C ATOM 174 C GLN A 13 18.694 12.692 9.080 1.00 0.00 C ATOM 175 O GLN A 13 19.514 13.573 9.347 1.00 0.00 O ATOM 176 CB GLN A 13 18.639 12.082 6.596 1.00 0.00 C ATOM 177 CG GLN A 13 19.198 13.442 6.139 1.00 0.00 C ATOM 178 CD GLN A 13 20.728 13.487 6.082 1.00 0.00 C ATOM 179 OE1 GLN A 13 21.347 13.252 5.050 1.00 0.00 O ATOM 180 NE2 GLN A 13 21.396 13.786 7.177 1.00 0.00 N ATOM 0 H GLN A 13 17.746 10.057 7.593 1.00 0.00 H new ATOM 0 HA GLN A 13 20.132 11.538 8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.962 11.320 5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.551 12.122 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.799 13.677 5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.845 14.218 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 13 20.894 13.984 8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.415 13.820 7.159 1.00 0.00 H new ATOM 189 N ILE A 14 17.527 12.608 9.731 1.00 0.00 N ATOM 190 CA ILE A 14 17.133 13.531 10.817 1.00 0.00 C ATOM 191 C ILE A 14 17.950 13.269 12.093 1.00 0.00 C ATOM 192 O ILE A 14 18.408 14.217 12.738 1.00 0.00 O ATOM 193 CB ILE A 14 15.606 13.437 11.073 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.766 13.930 9.869 1.00 0.00 C ATOM 195 CG2 ILE A 14 15.177 14.195 12.350 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.912 15.418 9.514 1.00 0.00 C ATOM 0 H ILE A 14 16.824 11.899 9.523 1.00 0.00 H new ATOM 0 HA ILE A 14 17.356 14.552 10.506 1.00 0.00 H new ATOM 0 HB ILE A 14 15.405 12.375 11.215 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.038 13.339 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.715 13.727 10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.100 14.099 12.485 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.690 13.772 13.214 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.438 15.249 12.253 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.280 15.651 8.657 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.608 16.027 10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.952 15.633 9.267 1.00 0.00 H new ATOM 208 N PHE A 15 18.154 11.996 12.447 1.00 0.00 N ATOM 209 CA PHE A 15 18.934 11.583 13.616 1.00 0.00 C ATOM 210 C PHE A 15 20.457 11.546 13.367 1.00 0.00 C ATOM 211 O PHE A 15 21.232 11.431 14.322 1.00 0.00 O ATOM 212 CB PHE A 15 18.417 10.220 14.099 1.00 0.00 C ATOM 213 CG PHE A 15 16.992 10.242 14.628 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.708 10.861 15.859 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.962 9.600 13.915 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.398 10.845 16.369 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.653 9.575 14.430 1.00 0.00 C ATOM 218 CZ PHE A 15 14.370 10.196 15.661 1.00 0.00 C ATOM 0 H PHE A 15 17.774 11.210 11.919 1.00 0.00 H new ATOM 0 HA PHE A 15 18.793 12.338 14.389 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.475 9.510 13.274 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.078 9.851 14.884 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.497 11.349 16.413 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.177 9.125 12.969 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.180 11.333 17.308 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.866 9.080 13.881 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.367 10.174 16.061 1.00 0.00 H new ATOM 228 N GLY A 16 20.904 11.646 12.107 1.00 0.00 N ATOM 229 CA GLY A 16 22.319 11.663 11.708 1.00 0.00 C ATOM 230 C GLY A 16 22.944 10.272 11.548 1.00 0.00 C ATOM 231 O GLY A 16 24.167 10.152 11.618 1.00 0.00 O ATOM 0 H GLY A 16 20.270 11.720 11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.412 12.202 10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.888 12.221 12.452 1.00 0.00 H new ATOM 235 N LEU A 17 22.127 9.229 11.354 1.00 0.00 N ATOM 236 CA LEU A 17 22.573 7.843 11.178 1.00 0.00 C ATOM 237 C LEU A 17 23.183 7.634 9.779 1.00 0.00 C ATOM 238 O LEU A 17 22.527 7.834 8.755 1.00 0.00 O ATOM 239 CB LEU A 17 21.403 6.866 11.450 1.00 0.00 C ATOM 240 CG LEU A 17 21.310 6.422 12.932 1.00 0.00 C ATOM 241 CD1 LEU A 17 21.307 7.575 13.944 1.00 0.00 C ATOM 242 CD2 LEU A 17 20.061 5.561 13.158 1.00 0.00 C ATOM 0 H LEU A 17 21.113 9.329 11.314 1.00 0.00 H new ATOM 0 HA LEU A 17 23.359 7.632 11.903 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.466 7.342 11.161 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.521 5.984 10.820 1.00 0.00 H new ATOM 0 HG LEU A 17 22.220 5.849 13.111 1.00 0.00 H new ATOM 0 HD11 LEU A 17 21.239 7.172 14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 17 22.228 8.150 13.843 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.452 8.224 13.754 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.012 5.258 14.204 1.00 0.00 H new ATOM 0 HD22 LEU A 17 19.171 6.137 12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 17 20.111 4.674 12.526 1.00 0.00 H new ATOM 254 N ASP A 18 24.447 7.205 9.740 1.00 0.00 N ATOM 255 CA ASP A 18 25.138 6.784 8.515 1.00 0.00 C ATOM 256 C ASP A 18 24.710 5.367 8.094 1.00 0.00 C ATOM 257 O ASP A 18 24.430 4.509 8.940 1.00 0.00 O ATOM 258 CB ASP A 18 26.660 6.877 8.727 1.00 0.00 C ATOM 259 CG ASP A 18 27.463 6.599 7.441 1.00 0.00 C ATOM 260 OD1 ASP A 18 27.180 7.252 6.406 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.380 5.743 7.471 1.00 0.00 O ATOM 0 H ASP A 18 25.031 7.139 10.574 1.00 0.00 H new ATOM 0 HA ASP A 18 24.858 7.453 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.910 7.871 9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.959 6.165 9.497 1.00 0.00 H new ATOM 266 N CYS A 19 24.657 5.116 6.779 1.00 0.00 N ATOM 267 CA CYS A 19 24.076 3.900 6.197 1.00 0.00 C ATOM 268 C CYS A 19 24.472 3.671 4.722 1.00 0.00 C ATOM 269 O CYS A 19 25.186 4.471 4.107 1.00 0.00 O ATOM 270 CB CYS A 19 22.547 3.957 6.395 1.00 0.00 C ATOM 271 SG CYS A 19 21.845 5.366 5.475 1.00 0.00 S ATOM 0 H CYS A 19 25.022 5.762 6.080 1.00 0.00 H new ATOM 0 HA CYS A 19 24.485 3.034 6.717 1.00 0.00 H new ATOM 0 HB2 CYS A 19 22.094 3.027 6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.314 4.053 7.455 1.00 0.00 H new ATOM 0 HG CYS A 19 21.074 6.057 6.261 1.00 0.00 H new ATOM 277 N GLU A 20 23.961 2.581 4.157 1.00 0.00 N ATOM 278 CA GLU A 20 23.981 2.209 2.739 1.00 0.00 C ATOM 279 C GLU A 20 22.717 1.403 2.433 1.00 0.00 C ATOM 280 O GLU A 20 22.040 0.952 3.361 1.00 0.00 O ATOM 281 CB GLU A 20 25.237 1.390 2.390 1.00 0.00 C ATOM 282 CG GLU A 20 25.395 0.082 3.183 1.00 0.00 C ATOM 283 CD GLU A 20 26.667 -0.667 2.751 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.641 -1.364 1.713 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.711 -0.561 3.430 1.00 0.00 O ATOM 0 H GLU A 20 23.484 1.877 4.720 1.00 0.00 H new ATOM 0 HA GLU A 20 24.008 3.114 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.215 1.153 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.117 2.010 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.441 0.301 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.523 -0.552 3.025 1.00 0.00 H new ATOM 292 N GLU A 21 22.415 1.168 1.158 1.00 0.00 N ATOM 293 CA GLU A 21 21.231 0.421 0.711 1.00 0.00 C ATOM 294 C GLU A 21 21.088 -0.933 1.425 1.00 0.00 C ATOM 295 O GLU A 21 19.981 -1.315 1.803 1.00 0.00 O ATOM 296 CB GLU A 21 21.251 0.206 -0.814 1.00 0.00 C ATOM 297 CG GLU A 21 21.252 1.497 -1.648 1.00 0.00 C ATOM 298 CD GLU A 21 22.672 1.979 -1.989 1.00 0.00 C ATOM 299 OE1 GLU A 21 23.358 2.551 -1.108 1.00 0.00 O ATOM 300 OE2 GLU A 21 23.114 1.786 -3.149 1.00 0.00 O ATOM 0 H GLU A 21 22.996 1.497 0.387 1.00 0.00 H new ATOM 0 HA GLU A 21 20.367 1.031 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.135 -0.377 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.382 -0.390 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.698 1.329 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.728 2.280 -1.100 1.00 0.00 H new ATOM 307 N ALA A 22 22.200 -1.638 1.676 1.00 0.00 N ATOM 308 CA ALA A 22 22.190 -2.940 2.364 1.00 0.00 C ATOM 309 C ALA A 22 21.777 -2.845 3.846 1.00 0.00 C ATOM 310 O ALA A 22 21.160 -3.770 4.374 1.00 0.00 O ATOM 311 CB ALA A 22 23.573 -3.588 2.206 1.00 0.00 C ATOM 0 H ALA A 22 23.133 -1.323 1.408 1.00 0.00 H new ATOM 0 HA ALA A 22 21.428 -3.564 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.582 -4.554 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.790 -3.730 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.331 -2.941 2.648 1.00 0.00 H new ATOM 317 N LEU A 23 22.083 -1.725 4.512 1.00 0.00 N ATOM 318 CA LEU A 23 21.677 -1.445 5.897 1.00 0.00 C ATOM 319 C LEU A 23 20.274 -0.831 5.958 1.00 0.00 C ATOM 320 O LEU A 23 19.517 -1.141 6.874 1.00 0.00 O ATOM 321 CB LEU A 23 22.719 -0.537 6.580 1.00 0.00 C ATOM 322 CG LEU A 23 24.127 -1.157 6.723 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.069 -0.129 7.374 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.127 -2.441 7.565 1.00 0.00 C ATOM 0 H LEU A 23 22.631 -0.972 4.096 1.00 0.00 H new ATOM 0 HA LEU A 23 21.634 -2.389 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.802 0.389 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.353 -0.270 7.571 1.00 0.00 H new ATOM 0 HG LEU A 23 24.468 -1.422 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.064 -0.562 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.124 0.762 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.687 0.142 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.142 -2.832 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.757 -2.220 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.482 -3.184 7.096 1.00 0.00 H new ATOM 336 N ILE A 24 19.878 -0.021 4.976 1.00 0.00 N ATOM 337 CA ILE A 24 18.498 0.492 4.852 1.00 0.00 C ATOM 338 C ILE A 24 17.518 -0.675 4.638 1.00 0.00 C ATOM 339 O ILE A 24 16.516 -0.781 5.353 1.00 0.00 O ATOM 340 CB ILE A 24 18.416 1.550 3.725 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.277 2.801 4.055 1.00 0.00 C ATOM 342 CG2 ILE A 24 16.959 1.987 3.508 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.636 3.618 2.806 1.00 0.00 C ATOM 0 H ILE A 24 20.502 0.304 4.237 1.00 0.00 H new ATOM 0 HA ILE A 24 18.209 0.991 5.777 1.00 0.00 H new ATOM 0 HB ILE A 24 18.804 1.089 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.735 3.436 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.193 2.485 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 24 16.917 2.731 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.358 1.122 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.567 2.418 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.238 4.480 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.203 2.995 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.722 3.960 2.320 1.00 0.00 H new ATOM 355 N GLU A 25 17.836 -1.595 3.723 1.00 0.00 N ATOM 356 CA GLU A 25 17.063 -2.817 3.488 1.00 0.00 C ATOM 357 C GLU A 25 16.966 -3.694 4.749 1.00 0.00 C ATOM 358 O GLU A 25 15.913 -4.277 4.999 1.00 0.00 O ATOM 359 CB GLU A 25 17.648 -3.632 2.324 1.00 0.00 C ATOM 360 CG GLU A 25 17.281 -3.037 0.961 1.00 0.00 C ATOM 361 CD GLU A 25 17.934 -3.807 -0.201 1.00 0.00 C ATOM 362 OE1 GLU A 25 17.824 -5.059 -0.247 1.00 0.00 O ATOM 363 OE2 GLU A 25 18.541 -3.170 -1.099 1.00 0.00 O ATOM 0 H GLU A 25 18.651 -1.510 3.115 1.00 0.00 H new ATOM 0 HA GLU A 25 16.055 -2.500 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.733 -3.673 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.284 -4.658 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.198 -3.049 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 25 17.594 -1.993 0.925 1.00 0.00 H new ATOM 370 N LYS A 26 18.001 -3.743 5.601 1.00 0.00 N ATOM 371 CA LYS A 26 17.950 -4.465 6.879 1.00 0.00 C ATOM 372 C LYS A 26 16.864 -3.923 7.837 1.00 0.00 C ATOM 373 O LYS A 26 16.248 -4.716 8.549 1.00 0.00 O ATOM 374 CB LYS A 26 19.362 -4.498 7.498 1.00 0.00 C ATOM 375 CG LYS A 26 19.460 -5.200 8.861 1.00 0.00 C ATOM 376 CD LYS A 26 19.143 -6.705 8.825 1.00 0.00 C ATOM 377 CE LYS A 26 19.066 -7.239 10.260 1.00 0.00 C ATOM 378 NZ LYS A 26 18.839 -8.706 10.292 1.00 0.00 N ATOM 0 H LYS A 26 18.894 -3.284 5.423 1.00 0.00 H new ATOM 0 HA LYS A 26 17.639 -5.493 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 26 20.036 -4.996 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.718 -3.474 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.467 -5.063 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.776 -4.714 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.198 -6.878 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.913 -7.238 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.991 -7.003 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.259 -6.735 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.143 -8.934 11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.480 -9.022 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.735 -9.191 10.500 1.00 0.00 H new ATOM 392 N LEU A 27 16.565 -2.613 7.829 1.00 0.00 N ATOM 393 CA LEU A 27 15.452 -2.029 8.594 1.00 0.00 C ATOM 394 C LEU A 27 14.127 -2.060 7.819 1.00 0.00 C ATOM 395 O LEU A 27 13.096 -2.361 8.420 1.00 0.00 O ATOM 396 CB LEU A 27 15.769 -0.596 9.062 1.00 0.00 C ATOM 397 CG LEU A 27 16.824 -0.393 10.167 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.631 -1.353 11.352 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.247 -0.484 9.624 1.00 0.00 C ATOM 0 H LEU A 27 17.092 -1.927 7.289 1.00 0.00 H new ATOM 0 HA LEU A 27 15.331 -2.657 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.091 -0.027 8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.838 -0.148 9.408 1.00 0.00 H new ATOM 0 HG LEU A 27 16.672 0.619 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.401 -1.166 12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.648 -1.192 11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.707 -2.383 11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.957 -0.335 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.405 -1.467 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.397 0.285 8.866 1.00 0.00 H new ATOM 411 N VAL A 28 14.126 -1.811 6.504 1.00 0.00 N ATOM 412 CA VAL A 28 12.903 -1.906 5.667 1.00 0.00 C ATOM 413 C VAL A 28 12.330 -3.333 5.670 1.00 0.00 C ATOM 414 O VAL A 28 11.112 -3.501 5.708 1.00 0.00 O ATOM 415 CB VAL A 28 13.153 -1.409 4.226 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.003 -1.720 3.249 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.379 0.114 4.220 1.00 0.00 C ATOM 0 H VAL A 28 14.961 -1.539 5.985 1.00 0.00 H new ATOM 0 HA VAL A 28 12.158 -1.247 6.113 1.00 0.00 H new ATOM 0 HB VAL A 28 14.036 -1.949 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.254 -1.340 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.852 -2.798 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.088 -1.242 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.554 0.452 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.498 0.614 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.245 0.356 4.836 1.00 0.00 H new ATOM 427 N GLU A 29 13.176 -4.365 5.718 1.00 0.00 N ATOM 428 CA GLU A 29 12.757 -5.755 5.904 1.00 0.00 C ATOM 429 C GLU A 29 11.949 -5.947 7.201 1.00 0.00 C ATOM 430 O GLU A 29 10.948 -6.664 7.176 1.00 0.00 O ATOM 431 CB GLU A 29 13.989 -6.672 5.875 1.00 0.00 C ATOM 432 CG GLU A 29 13.632 -8.159 5.968 1.00 0.00 C ATOM 433 CD GLU A 29 14.861 -9.035 5.702 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.678 -9.249 6.630 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.007 -9.543 4.566 1.00 0.00 O ATOM 0 H GLU A 29 14.186 -4.256 5.627 1.00 0.00 H new ATOM 0 HA GLU A 29 12.092 -6.024 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.545 -6.495 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.649 -6.410 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.231 -8.379 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.849 -8.395 5.247 1.00 0.00 H new ATOM 442 N LEU A 30 12.298 -5.261 8.299 1.00 0.00 N ATOM 443 CA LEU A 30 11.506 -5.303 9.536 1.00 0.00 C ATOM 444 C LEU A 30 10.121 -4.686 9.309 1.00 0.00 C ATOM 445 O LEU A 30 9.113 -5.288 9.669 1.00 0.00 O ATOM 446 CB LEU A 30 12.214 -4.595 10.710 1.00 0.00 C ATOM 447 CG LEU A 30 13.687 -4.954 10.956 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.187 -4.251 12.225 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.916 -6.465 11.066 1.00 0.00 C ATOM 0 H LEU A 30 13.126 -4.669 8.355 1.00 0.00 H new ATOM 0 HA LEU A 30 11.395 -6.353 9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.151 -3.520 10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.656 -4.811 11.621 1.00 0.00 H new ATOM 0 HG LEU A 30 14.254 -4.609 10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.232 -4.508 12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.094 -3.172 12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.590 -4.573 13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.974 -6.661 11.240 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.332 -6.862 11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.605 -6.949 10.140 1.00 0.00 H new ATOM 461 N CYS A 31 10.052 -3.517 8.664 1.00 0.00 N ATOM 462 CA CYS A 31 8.787 -2.847 8.333 1.00 0.00 C ATOM 463 C CYS A 31 7.862 -3.731 7.485 1.00 0.00 C ATOM 464 O CYS A 31 6.656 -3.780 7.733 1.00 0.00 O ATOM 465 CB CYS A 31 9.088 -1.519 7.627 1.00 0.00 C ATOM 466 SG CYS A 31 9.998 -0.407 8.734 1.00 0.00 S ATOM 0 H CYS A 31 10.877 -3.004 8.354 1.00 0.00 H new ATOM 0 HA CYS A 31 8.251 -2.651 9.262 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.672 -1.703 6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.157 -1.048 7.313 1.00 0.00 H new ATOM 0 HG CYS A 31 11.047 0.054 8.120 1.00 0.00 H new ATOM 472 N VAL A 32 8.434 -4.463 6.530 1.00 0.00 N ATOM 473 CA VAL A 32 7.714 -5.384 5.631 1.00 0.00 C ATOM 474 C VAL A 32 7.280 -6.669 6.364 1.00 0.00 C ATOM 475 O VAL A 32 6.158 -7.131 6.153 1.00 0.00 O ATOM 476 CB VAL A 32 8.562 -5.698 4.370 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.954 -6.789 3.470 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.748 -4.433 3.512 1.00 0.00 C ATOM 0 H VAL A 32 9.438 -4.436 6.350 1.00 0.00 H new ATOM 0 HA VAL A 32 6.802 -4.886 5.301 1.00 0.00 H new ATOM 0 HB VAL A 32 9.515 -6.064 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.602 -6.954 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.859 -7.716 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.969 -6.471 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.345 -4.674 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.773 -4.060 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.257 -3.668 4.098 1.00 0.00 H new ATOM 488 N GLN A 33 8.124 -7.232 7.238 1.00 0.00 N ATOM 489 CA GLN A 33 7.845 -8.487 7.952 1.00 0.00 C ATOM 490 C GLN A 33 6.863 -8.305 9.120 1.00 0.00 C ATOM 491 O GLN A 33 5.953 -9.116 9.294 1.00 0.00 O ATOM 492 CB GLN A 33 9.190 -9.073 8.435 1.00 0.00 C ATOM 493 CG GLN A 33 9.092 -10.371 9.258 1.00 0.00 C ATOM 494 CD GLN A 33 8.467 -11.542 8.493 1.00 0.00 C ATOM 495 OE1 GLN A 33 9.145 -12.390 7.928 1.00 0.00 O ATOM 496 NE2 GLN A 33 7.152 -11.637 8.441 1.00 0.00 N ATOM 0 H GLN A 33 9.030 -6.826 7.473 1.00 0.00 H new ATOM 0 HA GLN A 33 7.353 -9.178 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.817 -9.263 7.564 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.699 -8.320 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.090 -10.657 9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.502 -10.178 10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.571 -10.939 8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.716 -12.408 7.936 1.00 0.00 H new ATOM 505 N TYR A 34 7.043 -7.258 9.932 1.00 0.00 N ATOM 506 CA TYR A 34 6.239 -6.979 11.130 1.00 0.00 C ATOM 507 C TYR A 34 4.994 -6.108 10.857 1.00 0.00 C ATOM 508 O TYR A 34 4.096 -6.055 11.699 1.00 0.00 O ATOM 509 CB TYR A 34 7.148 -6.320 12.187 1.00 0.00 C ATOM 510 CG TYR A 34 8.120 -7.278 12.866 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.380 -7.539 12.291 1.00 0.00 C ATOM 512 CD2 TYR A 34 7.762 -7.914 14.071 1.00 0.00 C ATOM 513 CE1 TYR A 34 10.279 -8.422 12.915 1.00 0.00 C ATOM 514 CE2 TYR A 34 8.663 -8.792 14.705 1.00 0.00 C ATOM 515 CZ TYR A 34 9.924 -9.055 14.128 1.00 0.00 C ATOM 516 OH TYR A 34 10.795 -9.902 14.747 1.00 0.00 O ATOM 0 H TYR A 34 7.771 -6.562 9.771 1.00 0.00 H new ATOM 0 HA TYR A 34 5.848 -7.929 11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.717 -5.521 11.712 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.522 -5.856 12.949 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.657 -7.058 11.365 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.793 -7.728 14.510 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.242 -8.617 12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.388 -9.266 15.636 1.00 0.00 H new ATOM 0 HH TYR A 34 10.388 -10.247 15.569 1.00 0.00 H new ATOM 526 N GLY A 35 4.921 -5.430 9.705 1.00 0.00 N ATOM 527 CA GLY A 35 3.821 -4.518 9.359 1.00 0.00 C ATOM 528 C GLY A 35 3.841 -3.223 10.184 1.00 0.00 C ATOM 529 O GLY A 35 2.778 -2.707 10.542 1.00 0.00 O ATOM 0 H GLY A 35 5.632 -5.499 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.881 -4.269 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.870 -5.028 9.514 1.00 0.00 H new ATOM 533 N GLN A 36 5.037 -2.740 10.532 1.00 0.00 N ATOM 534 CA GLN A 36 5.260 -1.636 11.465 1.00 0.00 C ATOM 535 C GLN A 36 6.007 -0.468 10.789 1.00 0.00 C ATOM 536 O GLN A 36 6.808 -0.670 9.878 1.00 0.00 O ATOM 537 CB GLN A 36 6.008 -2.185 12.697 1.00 0.00 C ATOM 538 CG GLN A 36 6.404 -1.159 13.784 1.00 0.00 C ATOM 539 CD GLN A 36 5.219 -0.443 14.448 1.00 0.00 C ATOM 540 OE1 GLN A 36 4.297 0.046 13.802 1.00 0.00 O ATOM 541 NE2 GLN A 36 5.187 -0.354 15.757 1.00 0.00 N ATOM 0 H GLN A 36 5.906 -3.121 10.158 1.00 0.00 H new ATOM 0 HA GLN A 36 4.305 -1.223 11.789 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.384 -2.949 13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.915 -2.681 12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.981 -1.670 14.555 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.060 -0.411 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.943 -0.753 16.314 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.407 0.114 16.217 1.00 0.00 H new ATOM 550 N ASN A 37 5.733 0.759 11.235 1.00 0.00 N ATOM 551 CA ASN A 37 6.285 1.994 10.671 1.00 0.00 C ATOM 552 C ASN A 37 7.814 2.129 10.854 1.00 0.00 C ATOM 553 O ASN A 37 8.387 1.657 11.840 1.00 0.00 O ATOM 554 CB ASN A 37 5.533 3.177 11.308 1.00 0.00 C ATOM 555 CG ASN A 37 5.865 4.512 10.650 1.00 0.00 C ATOM 556 OD1 ASN A 37 6.825 5.180 11.015 1.00 0.00 O ATOM 557 ND2 ASN A 37 5.114 4.913 9.639 1.00 0.00 N ATOM 0 H ASN A 37 5.104 0.927 12.020 1.00 0.00 H new ATOM 0 HA ASN A 37 6.139 1.979 9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.460 3.000 11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.779 3.229 12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.332 5.785 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.317 4.351 9.342 1.00 0.00 H new ATOM 564 N GLU A 38 8.457 2.837 9.922 1.00 0.00 N ATOM 565 CA GLU A 38 9.891 3.166 9.913 1.00 0.00 C ATOM 566 C GLU A 38 10.377 3.812 11.224 1.00 0.00 C ATOM 567 O GLU A 38 11.458 3.469 11.706 1.00 0.00 O ATOM 568 CB GLU A 38 10.219 4.123 8.748 1.00 0.00 C ATOM 569 CG GLU A 38 9.792 3.636 7.355 1.00 0.00 C ATOM 570 CD GLU A 38 8.363 4.075 6.993 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.397 3.387 7.402 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.200 5.112 6.311 1.00 0.00 O ATOM 0 H GLU A 38 7.970 3.217 9.111 1.00 0.00 H new ATOM 0 HA GLU A 38 10.411 2.216 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.739 5.082 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.294 4.301 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.487 4.021 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.855 2.548 7.318 1.00 0.00 H new ATOM 579 N GLU A 39 9.584 4.701 11.826 1.00 0.00 N ATOM 580 CA GLU A 39 9.888 5.365 13.104 1.00 0.00 C ATOM 581 C GLU A 39 9.984 4.356 14.268 1.00 0.00 C ATOM 582 O GLU A 39 10.811 4.529 15.161 1.00 0.00 O ATOM 583 CB GLU A 39 8.807 6.426 13.379 1.00 0.00 C ATOM 584 CG GLU A 39 9.129 7.310 14.587 1.00 0.00 C ATOM 585 CD GLU A 39 8.028 8.353 14.815 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.057 8.069 15.556 1.00 0.00 O ATOM 587 OE2 GLU A 39 8.128 9.480 14.274 1.00 0.00 O ATOM 0 H GLU A 39 8.689 4.989 11.431 1.00 0.00 H new ATOM 0 HA GLU A 39 10.864 5.844 13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.690 7.055 12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.851 5.929 13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.237 6.690 15.477 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.084 7.812 14.430 1.00 0.00 H new ATOM 594 N GLY A 40 9.203 3.267 14.216 1.00 0.00 N ATOM 595 CA GLY A 40 9.253 2.160 15.182 1.00 0.00 C ATOM 596 C GLY A 40 10.546 1.344 15.086 1.00 0.00 C ATOM 597 O GLY A 40 10.942 0.718 16.068 1.00 0.00 O ATOM 0 H GLY A 40 8.504 3.129 13.486 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.156 2.560 16.191 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.400 1.501 15.017 1.00 0.00 H new ATOM 601 N MET A 41 11.240 1.400 13.942 1.00 0.00 N ATOM 602 CA MET A 41 12.610 0.891 13.789 1.00 0.00 C ATOM 603 C MET A 41 13.630 1.975 14.164 1.00 0.00 C ATOM 604 O MET A 41 14.400 1.799 15.107 1.00 0.00 O ATOM 605 CB MET A 41 12.862 0.359 12.363 1.00 0.00 C ATOM 606 CG MET A 41 11.788 -0.612 11.853 1.00 0.00 C ATOM 607 SD MET A 41 11.313 -1.924 12.996 1.00 0.00 S ATOM 608 CE MET A 41 9.742 -2.374 12.220 1.00 0.00 C ATOM 0 H MET A 41 10.862 1.805 13.086 1.00 0.00 H new ATOM 0 HA MET A 41 12.734 0.051 14.473 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.926 1.205 11.678 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.829 -0.143 12.341 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.897 -0.038 11.597 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.147 -1.070 10.932 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.417 -3.345 12.593 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.989 -1.623 12.460 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.872 -2.425 11.139 1.00 0.00 H new ATOM 618 N VAL A 42 13.624 3.100 13.446 1.00 0.00 N ATOM 619 CA VAL A 42 14.703 4.102 13.469 1.00 0.00 C ATOM 620 C VAL A 42 14.776 4.840 14.814 1.00 0.00 C ATOM 621 O VAL A 42 15.875 5.045 15.325 1.00 0.00 O ATOM 622 CB VAL A 42 14.563 5.098 12.293 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.553 6.266 12.399 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.788 4.368 10.954 1.00 0.00 C ATOM 0 H VAL A 42 12.858 3.349 12.820 1.00 0.00 H new ATOM 0 HA VAL A 42 15.643 3.564 13.348 1.00 0.00 H new ATOM 0 HB VAL A 42 13.553 5.506 12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.416 6.937 11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.375 6.811 13.326 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.572 5.880 12.395 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.688 5.077 10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.788 3.935 10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.048 3.576 10.843 1.00 0.00 H new ATOM 634 N GLY A 43 13.632 5.195 15.413 1.00 0.00 N ATOM 635 CA GLY A 43 13.586 5.951 16.669 1.00 0.00 C ATOM 636 C GLY A 43 13.990 5.116 17.888 1.00 0.00 C ATOM 637 O GLY A 43 14.631 5.634 18.806 1.00 0.00 O ATOM 0 H GLY A 43 12.711 4.965 15.039 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.248 6.814 16.591 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.577 6.336 16.818 1.00 0.00 H new ATOM 641 N GLU A 44 13.687 3.817 17.868 1.00 0.00 N ATOM 642 CA GLU A 44 14.083 2.873 18.918 1.00 0.00 C ATOM 643 C GLU A 44 15.557 2.443 18.777 1.00 0.00 C ATOM 644 O GLU A 44 16.222 2.186 19.783 1.00 0.00 O ATOM 645 CB GLU A 44 13.161 1.642 18.896 1.00 0.00 C ATOM 646 CG GLU A 44 11.687 1.968 19.176 1.00 0.00 C ATOM 647 CD GLU A 44 11.479 2.649 20.538 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.745 2.015 21.586 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.034 3.824 20.577 1.00 0.00 O ATOM 0 H GLU A 44 13.153 3.384 17.114 1.00 0.00 H new ATOM 0 HA GLU A 44 13.982 3.381 19.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.238 1.159 17.922 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.512 0.923 19.637 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.307 2.618 18.388 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.103 1.049 19.141 1.00 0.00 H new ATOM 656 N LEU A 45 16.099 2.429 17.547 1.00 0.00 N ATOM 657 CA LEU A 45 17.509 2.150 17.278 1.00 0.00 C ATOM 658 C LEU A 45 18.436 3.219 17.883 1.00 0.00 C ATOM 659 O LEU A 45 19.550 2.885 18.300 1.00 0.00 O ATOM 660 CB LEU A 45 17.684 1.990 15.755 1.00 0.00 C ATOM 661 CG LEU A 45 19.098 1.612 15.273 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.547 0.236 15.794 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.104 1.612 13.735 1.00 0.00 C ATOM 0 H LEU A 45 15.557 2.615 16.703 1.00 0.00 H new ATOM 0 HA LEU A 45 17.804 1.221 17.766 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.987 1.227 15.408 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.397 2.926 15.276 1.00 0.00 H new ATOM 0 HG LEU A 45 19.801 2.346 15.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.549 0.017 15.426 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.554 0.244 16.884 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.856 -0.530 15.442 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.098 1.346 13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.379 0.885 13.368 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.839 2.604 13.370 1.00 0.00 H new ATOM 675 N ILE A 46 17.981 4.478 17.996 1.00 0.00 N ATOM 676 CA ILE A 46 18.745 5.562 18.649 1.00 0.00 C ATOM 677 C ILE A 46 19.056 5.197 20.102 1.00 0.00 C ATOM 678 O ILE A 46 20.221 5.218 20.496 1.00 0.00 O ATOM 679 CB ILE A 46 18.010 6.927 18.602 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.454 7.323 17.219 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.967 8.024 19.120 1.00 0.00 C ATOM 682 CD1 ILE A 46 18.435 7.207 16.051 1.00 0.00 C ATOM 0 H ILE A 46 17.074 4.776 17.638 1.00 0.00 H new ATOM 0 HA ILE A 46 19.672 5.670 18.087 1.00 0.00 H new ATOM 0 HB ILE A 46 17.132 6.823 19.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.587 6.699 17.004 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.100 8.353 17.271 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.462 8.990 19.092 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.260 7.797 20.145 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.855 8.060 18.489 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.940 7.510 15.128 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.293 7.854 16.231 1.00 0.00 H new ATOM 0 HD13 ILE A 46 18.772 6.174 15.960 1.00 0.00 H new ATOM 694 N ALA A 47 18.036 4.822 20.880 1.00 0.00 N ATOM 695 CA ALA A 47 18.186 4.478 22.294 1.00 0.00 C ATOM 696 C ALA A 47 19.148 3.296 22.505 1.00 0.00 C ATOM 697 O ALA A 47 19.945 3.312 23.445 1.00 0.00 O ATOM 698 CB ALA A 47 16.790 4.195 22.869 1.00 0.00 C ATOM 0 H ALA A 47 17.076 4.749 20.542 1.00 0.00 H new ATOM 0 HA ALA A 47 18.637 5.316 22.826 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.877 3.936 23.924 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.166 5.083 22.764 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.335 3.365 22.328 1.00 0.00 H new ATOM 704 N PHE A 48 19.120 2.304 21.609 1.00 0.00 N ATOM 705 CA PHE A 48 20.051 1.177 21.638 1.00 0.00 C ATOM 706 C PHE A 48 21.493 1.623 21.346 1.00 0.00 C ATOM 707 O PHE A 48 22.386 1.303 22.131 1.00 0.00 O ATOM 708 CB PHE A 48 19.562 0.088 20.673 1.00 0.00 C ATOM 709 CG PHE A 48 20.435 -1.161 20.643 1.00 0.00 C ATOM 710 CD1 PHE A 48 20.867 -1.762 21.842 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.790 -1.743 19.411 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.663 -2.922 21.807 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.581 -2.903 19.376 1.00 0.00 C ATOM 714 CZ PHE A 48 22.025 -3.489 20.575 1.00 0.00 C ATOM 0 H PHE A 48 18.448 2.262 20.842 1.00 0.00 H new ATOM 0 HA PHE A 48 20.072 0.756 22.643 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.548 -0.198 20.951 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.511 0.506 19.668 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.586 -1.331 22.792 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.452 -1.295 18.488 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.996 -3.376 22.729 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.849 -3.345 18.428 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.644 -4.374 20.548 1.00 0.00 H new ATOM 724 N CYS A 49 21.724 2.432 20.304 1.00 0.00 N ATOM 725 CA CYS A 49 23.048 2.992 19.984 1.00 0.00 C ATOM 726 C CYS A 49 23.605 3.867 21.128 1.00 0.00 C ATOM 727 O CYS A 49 24.779 3.737 21.490 1.00 0.00 O ATOM 728 CB CYS A 49 22.954 3.780 18.666 1.00 0.00 C ATOM 729 SG CYS A 49 22.590 2.659 17.279 1.00 0.00 S ATOM 0 H CYS A 49 20.993 2.720 19.653 1.00 0.00 H new ATOM 0 HA CYS A 49 23.754 2.170 19.865 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.174 4.538 18.743 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.891 4.305 18.481 1.00 0.00 H new ATOM 0 HG CYS A 49 21.316 2.404 17.250 1.00 0.00 H new ATOM 735 N THR A 50 22.763 4.705 21.748 1.00 0.00 N ATOM 736 CA THR A 50 23.099 5.515 22.935 1.00 0.00 C ATOM 737 C THR A 50 23.461 4.627 24.121 1.00 0.00 C ATOM 738 O THR A 50 24.443 4.897 24.802 1.00 0.00 O ATOM 739 CB THR A 50 21.934 6.456 23.262 1.00 0.00 C ATOM 740 OG1 THR A 50 21.758 7.346 22.182 1.00 0.00 O ATOM 741 CG2 THR A 50 22.154 7.309 24.517 1.00 0.00 C ATOM 0 H THR A 50 21.803 4.844 21.432 1.00 0.00 H new ATOM 0 HA THR A 50 23.978 6.121 22.716 1.00 0.00 H new ATOM 0 HB THR A 50 21.068 5.818 23.440 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.254 6.900 21.469 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.286 7.947 24.680 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.293 6.658 25.380 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.040 7.929 24.385 1.00 0.00 H new ATOM 749 N SER A 51 22.729 3.538 24.340 1.00 0.00 N ATOM 750 CA SER A 51 22.993 2.592 25.440 1.00 0.00 C ATOM 751 C SER A 51 24.301 1.792 25.281 1.00 0.00 C ATOM 752 O SER A 51 24.993 1.561 26.278 1.00 0.00 O ATOM 753 CB SER A 51 21.816 1.619 25.616 1.00 0.00 C ATOM 754 OG SER A 51 20.622 2.286 26.018 1.00 0.00 O ATOM 0 H SER A 51 21.930 3.279 23.761 1.00 0.00 H new ATOM 0 HA SER A 51 23.109 3.210 26.330 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.638 1.093 24.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 22.077 0.866 26.359 1.00 0.00 H new ATOM 0 HG SER A 51 20.216 2.726 25.242 1.00 0.00 H new ATOM 760 N THR A 52 24.654 1.373 24.053 1.00 0.00 N ATOM 761 CA THR A 52 25.905 0.641 23.764 1.00 0.00 C ATOM 762 C THR A 52 27.103 1.568 23.600 1.00 0.00 C ATOM 763 O THR A 52 28.228 1.127 23.806 1.00 0.00 O ATOM 764 CB THR A 52 25.752 -0.262 22.529 1.00 0.00 C ATOM 765 OG1 THR A 52 25.458 0.533 21.403 1.00 0.00 O ATOM 766 CG2 THR A 52 24.658 -1.319 22.708 1.00 0.00 C ATOM 0 H THR A 52 24.078 1.532 23.227 1.00 0.00 H new ATOM 0 HA THR A 52 26.099 0.013 24.634 1.00 0.00 H new ATOM 0 HB THR A 52 26.695 -0.790 22.390 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.513 0.792 21.423 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.591 -1.930 21.808 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.901 -1.954 23.560 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.702 -0.827 22.884 1.00 0.00 H new ATOM 774 N HIS A 53 26.857 2.825 23.232 1.00 0.00 N ATOM 775 CA HIS A 53 27.780 3.956 23.037 1.00 0.00 C ATOM 776 C HIS A 53 28.404 3.995 21.618 1.00 0.00 C ATOM 777 O HIS A 53 29.189 4.899 21.309 1.00 0.00 O ATOM 778 CB HIS A 53 28.849 4.051 24.147 1.00 0.00 C ATOM 779 CG HIS A 53 28.278 4.124 25.545 1.00 0.00 C ATOM 780 ND1 HIS A 53 28.027 3.059 26.380 1.00 0.00 N ATOM 781 CD2 HIS A 53 27.939 5.260 26.231 1.00 0.00 C ATOM 782 CE1 HIS A 53 27.540 3.537 27.537 1.00 0.00 C ATOM 783 NE2 HIS A 53 27.477 4.883 27.502 1.00 0.00 N ATOM 0 H HIS A 53 25.898 3.114 23.040 1.00 0.00 H new ATOM 0 HA HIS A 53 27.165 4.852 23.121 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.507 3.185 24.079 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.464 4.933 23.970 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.014 6.271 25.859 1.00 0.00 H new ATOM 0 HE1 HIS A 53 27.241 2.928 28.377 1.00 0.00 H new ATOM 0 HE2 HIS A 53 27.158 5.502 28.248 1.00 0.00 H new ATOM 791 N LYS A 54 28.062 3.045 20.738 1.00 0.00 N ATOM 792 CA LYS A 54 28.458 3.036 19.320 1.00 0.00 C ATOM 793 C LYS A 54 27.613 4.021 18.477 1.00 0.00 C ATOM 794 O LYS A 54 26.539 4.468 18.887 1.00 0.00 O ATOM 795 CB LYS A 54 28.401 1.592 18.766 1.00 0.00 C ATOM 796 CG LYS A 54 29.730 0.824 18.918 1.00 0.00 C ATOM 797 CD LYS A 54 30.151 0.486 20.357 1.00 0.00 C ATOM 798 CE LYS A 54 29.231 -0.566 20.986 1.00 0.00 C ATOM 799 NZ LYS A 54 29.655 -0.910 22.367 1.00 0.00 N ATOM 0 H LYS A 54 27.489 2.242 20.996 1.00 0.00 H new ATOM 0 HA LYS A 54 29.487 3.387 19.247 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.612 1.044 19.282 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.128 1.626 17.711 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.656 -0.106 18.354 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.523 1.414 18.458 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.177 0.119 20.359 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.135 1.392 20.963 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.207 -0.192 21.002 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.232 -1.465 20.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 29.351 -1.879 22.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.691 -0.847 22.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 29.221 -0.246 23.039 1.00 0.00 H new ATOM 813 N VAL A 55 28.087 4.329 17.270 1.00 0.00 N ATOM 814 CA VAL A 55 27.445 5.234 16.293 1.00 0.00 C ATOM 815 C VAL A 55 27.963 4.946 14.883 1.00 0.00 C ATOM 816 O VAL A 55 29.093 4.482 14.715 1.00 0.00 O ATOM 817 CB VAL A 55 27.615 6.727 16.680 1.00 0.00 C ATOM 818 CG1 VAL A 55 29.078 7.208 16.622 1.00 0.00 C ATOM 819 CG2 VAL A 55 26.722 7.667 15.846 1.00 0.00 C ATOM 0 H VAL A 55 28.965 3.943 16.923 1.00 0.00 H new ATOM 0 HA VAL A 55 26.373 5.038 16.307 1.00 0.00 H new ATOM 0 HB VAL A 55 27.288 6.778 17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.127 8.260 16.904 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.682 6.619 17.312 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.461 7.086 15.609 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.884 8.698 16.161 1.00 0.00 H new ATOM 0 HG22 VAL A 55 26.974 7.567 14.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.675 7.402 15.996 1.00 0.00 H new ATOM 829 N GLY A 56 27.120 5.194 13.874 1.00 0.00 N ATOM 830 CA GLY A 56 27.443 5.012 12.454 1.00 0.00 C ATOM 831 C GLY A 56 27.080 3.632 11.890 1.00 0.00 C ATOM 832 O GLY A 56 27.089 3.460 10.673 1.00 0.00 O ATOM 0 H GLY A 56 26.171 5.535 14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 56 26.922 5.775 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 28.511 5.178 12.313 1.00 0.00 H new ATOM 836 N LEU A 57 26.731 2.679 12.770 1.00 0.00 N ATOM 837 CA LEU A 57 26.108 1.372 12.496 1.00 0.00 C ATOM 838 C LEU A 57 27.032 0.358 11.783 1.00 0.00 C ATOM 839 O LEU A 57 28.091 0.694 11.247 1.00 0.00 O ATOM 840 CB LEU A 57 24.741 1.564 11.792 1.00 0.00 C ATOM 841 CG LEU A 57 23.664 2.107 12.753 1.00 0.00 C ATOM 842 CD1 LEU A 57 22.532 2.773 11.965 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.080 0.986 13.627 1.00 0.00 C ATOM 0 H LEU A 57 26.889 2.812 13.769 1.00 0.00 H new ATOM 0 HA LEU A 57 25.925 0.902 13.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.859 2.252 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.410 0.611 11.378 1.00 0.00 H new ATOM 0 HG LEU A 57 24.142 2.842 13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 21.780 3.151 12.658 1.00 0.00 H new ATOM 0 HD12 LEU A 57 22.934 3.600 11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.075 2.043 11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.324 1.401 14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.625 0.227 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.876 0.534 14.218 1.00 0.00 H new ATOM 855 N THR A 58 26.597 -0.909 11.822 1.00 0.00 N ATOM 856 CA THR A 58 27.249 -2.125 11.298 1.00 0.00 C ATOM 857 C THR A 58 26.299 -3.303 11.498 1.00 0.00 C ATOM 858 O THR A 58 25.449 -3.269 12.383 1.00 0.00 O ATOM 859 CB THR A 58 28.638 -2.369 11.923 1.00 0.00 C ATOM 860 OG1 THR A 58 29.222 -3.478 11.285 1.00 0.00 O ATOM 861 CG2 THR A 58 28.591 -2.631 13.433 1.00 0.00 C ATOM 0 H THR A 58 25.702 -1.132 12.258 1.00 0.00 H new ATOM 0 HA THR A 58 27.445 -1.998 10.233 1.00 0.00 H new ATOM 0 HB THR A 58 29.223 -1.460 11.780 1.00 0.00 H new ATOM 0 HG1 THR A 58 30.108 -3.647 11.669 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.602 -2.794 13.806 1.00 0.00 H new ATOM 0 HG22 THR A 58 28.153 -1.770 13.938 1.00 0.00 H new ATOM 0 HG23 THR A 58 27.985 -3.515 13.630 1.00 0.00 H new ATOM 869 N SER A 59 26.433 -4.346 10.683 1.00 0.00 N ATOM 870 CA SER A 59 25.479 -5.466 10.598 1.00 0.00 C ATOM 871 C SER A 59 25.171 -6.116 11.963 1.00 0.00 C ATOM 872 O SER A 59 24.018 -6.442 12.245 1.00 0.00 O ATOM 873 CB SER A 59 26.033 -6.503 9.606 1.00 0.00 C ATOM 874 OG SER A 59 25.085 -7.517 9.304 1.00 0.00 O ATOM 0 H SER A 59 27.223 -4.445 10.046 1.00 0.00 H new ATOM 0 HA SER A 59 24.526 -5.070 10.247 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.330 -6.000 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 59 26.930 -6.960 10.024 1.00 0.00 H new ATOM 0 HG SER A 59 25.477 -8.153 8.670 1.00 0.00 H new ATOM 880 N GLU A 60 26.171 -6.225 12.847 1.00 0.00 N ATOM 881 CA GLU A 60 26.031 -6.770 14.202 1.00 0.00 C ATOM 882 C GLU A 60 25.021 -5.977 15.056 1.00 0.00 C ATOM 883 O GLU A 60 24.255 -6.575 15.814 1.00 0.00 O ATOM 884 CB GLU A 60 27.415 -6.789 14.867 1.00 0.00 C ATOM 885 CG GLU A 60 27.411 -7.477 16.237 1.00 0.00 C ATOM 886 CD GLU A 60 28.834 -7.575 16.811 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.275 -6.638 17.524 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.523 -8.593 16.567 1.00 0.00 O ATOM 0 H GLU A 60 27.123 -5.929 12.634 1.00 0.00 H new ATOM 0 HA GLU A 60 25.635 -7.783 14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 60 28.120 -7.300 14.212 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.771 -5.765 14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.775 -6.920 16.925 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.983 -8.475 16.145 1.00 0.00 H new ATOM 895 N ILE A 61 24.973 -4.647 14.923 1.00 0.00 N ATOM 896 CA ILE A 61 24.062 -3.783 15.694 1.00 0.00 C ATOM 897 C ILE A 61 22.619 -3.983 15.215 1.00 0.00 C ATOM 898 O ILE A 61 21.718 -4.139 16.037 1.00 0.00 O ATOM 899 CB ILE A 61 24.523 -2.301 15.621 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.914 -2.145 16.288 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.495 -1.361 16.292 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.522 -0.743 16.213 1.00 0.00 C ATOM 0 H ILE A 61 25.568 -4.133 14.274 1.00 0.00 H new ATOM 0 HA ILE A 61 24.093 -4.066 16.746 1.00 0.00 H new ATOM 0 HB ILE A 61 24.597 -2.018 14.571 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.830 -2.431 17.336 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.604 -2.848 15.820 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.846 -0.331 16.225 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.534 -1.451 15.785 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.379 -1.637 17.340 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.493 -0.741 16.708 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.646 -0.456 15.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.860 -0.033 16.709 1.00 0.00 H new ATOM 914 N LEU A 62 22.384 -4.052 13.901 1.00 0.00 N ATOM 915 CA LEU A 62 21.045 -4.298 13.350 1.00 0.00 C ATOM 916 C LEU A 62 20.557 -5.741 13.590 1.00 0.00 C ATOM 917 O LEU A 62 19.371 -5.955 13.838 1.00 0.00 O ATOM 918 CB LEU A 62 21.004 -3.959 11.848 1.00 0.00 C ATOM 919 CG LEU A 62 21.228 -2.489 11.428 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.469 -1.511 12.342 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.706 -2.093 11.364 1.00 0.00 C ATOM 0 H LEU A 62 23.110 -3.940 13.193 1.00 0.00 H new ATOM 0 HA LEU A 62 20.361 -3.639 13.884 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.758 -4.567 11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.034 -4.272 11.462 1.00 0.00 H new ATOM 0 HG LEU A 62 20.827 -2.419 10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.653 -0.488 12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.401 -1.722 12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.815 -1.630 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.790 -1.049 11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 23.161 -2.226 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.220 -2.722 10.638 1.00 0.00 H new ATOM 933 N ASN A 63 21.460 -6.726 13.563 1.00 0.00 N ATOM 934 CA ASN A 63 21.157 -8.111 13.931 1.00 0.00 C ATOM 935 C ASN A 63 20.800 -8.228 15.426 1.00 0.00 C ATOM 936 O ASN A 63 19.903 -8.984 15.791 1.00 0.00 O ATOM 937 CB ASN A 63 22.349 -9.013 13.586 1.00 0.00 C ATOM 938 CG ASN A 63 22.577 -9.213 12.088 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.692 -9.031 11.255 1.00 0.00 O ATOM 940 ND2 ASN A 63 23.771 -9.620 11.700 1.00 0.00 N ATOM 0 H ASN A 63 22.430 -6.582 13.283 1.00 0.00 H new ATOM 0 HA ASN A 63 20.287 -8.437 13.360 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.251 -8.586 14.025 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.199 -9.987 14.051 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.958 -9.783 10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 63 24.507 -9.772 12.390 1.00 0.00 H new ATOM 947 N SER A 64 21.455 -7.457 16.298 1.00 0.00 N ATOM 948 CA SER A 64 21.109 -7.393 17.727 1.00 0.00 C ATOM 949 C SER A 64 19.769 -6.679 17.971 1.00 0.00 C ATOM 950 O SER A 64 18.960 -7.158 18.768 1.00 0.00 O ATOM 951 CB SER A 64 22.228 -6.699 18.519 1.00 0.00 C ATOM 952 OG SER A 64 23.463 -7.411 18.437 1.00 0.00 O ATOM 0 H SER A 64 22.239 -6.859 16.037 1.00 0.00 H new ATOM 0 HA SER A 64 21.001 -8.420 18.076 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.367 -5.687 18.139 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.930 -6.609 19.564 1.00 0.00 H new ATOM 0 HG SER A 64 23.885 -7.235 17.570 1.00 0.00 H new ATOM 958 N PHE A 65 19.503 -5.568 17.261 1.00 0.00 N ATOM 959 CA PHE A 65 18.316 -4.712 17.439 1.00 0.00 C ATOM 960 C PHE A 65 16.974 -5.471 17.353 1.00 0.00 C ATOM 961 O PHE A 65 16.043 -5.142 18.095 1.00 0.00 O ATOM 962 CB PHE A 65 18.381 -3.581 16.405 1.00 0.00 C ATOM 963 CG PHE A 65 17.149 -2.697 16.397 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.869 -1.860 17.499 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.250 -2.760 15.318 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.687 -1.099 17.517 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.070 -1.997 15.337 1.00 0.00 C ATOM 968 CZ PHE A 65 14.787 -1.174 16.445 1.00 0.00 C ATOM 0 H PHE A 65 20.126 -5.231 16.527 1.00 0.00 H new ATOM 0 HA PHE A 65 18.342 -4.313 18.453 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.258 -2.966 16.606 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.515 -4.013 15.413 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.561 -1.804 18.326 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.467 -3.396 14.473 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.472 -0.456 18.358 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.383 -2.041 14.505 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.873 -0.599 16.468 1.00 0.00 H new ATOM 978 N GLU A 66 16.884 -6.523 16.530 1.00 0.00 N ATOM 979 CA GLU A 66 15.712 -7.410 16.459 1.00 0.00 C ATOM 980 C GLU A 66 15.352 -8.012 17.830 1.00 0.00 C ATOM 981 O GLU A 66 14.175 -8.184 18.149 1.00 0.00 O ATOM 982 CB GLU A 66 15.975 -8.542 15.457 1.00 0.00 C ATOM 983 CG GLU A 66 16.076 -8.048 14.008 1.00 0.00 C ATOM 984 CD GLU A 66 16.353 -9.215 13.055 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.407 -9.957 12.698 1.00 0.00 O ATOM 986 OE2 GLU A 66 17.524 -9.394 12.646 1.00 0.00 O ATOM 0 H GLU A 66 17.630 -6.787 15.887 1.00 0.00 H new ATOM 0 HA GLU A 66 14.867 -6.805 16.130 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.900 -9.051 15.727 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.174 -9.277 15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.149 -7.551 13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.872 -7.308 13.926 1.00 0.00 H new ATOM 993 N HIS A 67 16.351 -8.296 18.669 1.00 0.00 N ATOM 994 CA HIS A 67 16.179 -8.851 20.010 1.00 0.00 C ATOM 995 C HIS A 67 16.093 -7.774 21.112 1.00 0.00 C ATOM 996 O HIS A 67 15.833 -8.099 22.273 1.00 0.00 O ATOM 997 CB HIS A 67 17.316 -9.848 20.274 1.00 0.00 C ATOM 998 CG HIS A 67 17.335 -10.995 19.285 1.00 0.00 C ATOM 999 ND1 HIS A 67 16.422 -12.026 19.230 1.00 0.00 N ATOM 1000 CD2 HIS A 67 18.228 -11.191 18.264 1.00 0.00 C ATOM 1001 CE1 HIS A 67 16.760 -12.823 18.201 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.862 -12.359 17.580 1.00 0.00 N ATOM 0 H HIS A 67 17.329 -8.141 18.425 1.00 0.00 H new ATOM 0 HA HIS A 67 15.218 -9.364 20.048 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.270 -9.323 20.232 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.216 -10.247 21.283 1.00 0.00 H new ATOM 0 HD2 HIS A 67 19.069 -10.556 18.027 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.222 -13.713 17.912 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.334 -12.773 16.776 1.00 0.00 H new ATOM 1010 N GLU A 68 16.294 -6.491 20.783 1.00 0.00 N ATOM 1011 CA GLU A 68 16.188 -5.368 21.721 1.00 0.00 C ATOM 1012 C GLU A 68 14.758 -4.820 21.829 1.00 0.00 C ATOM 1013 O GLU A 68 14.359 -4.380 22.910 1.00 0.00 O ATOM 1014 CB GLU A 68 17.143 -4.234 21.313 1.00 0.00 C ATOM 1015 CG GLU A 68 18.618 -4.640 21.337 1.00 0.00 C ATOM 1016 CD GLU A 68 19.099 -5.079 22.731 1.00 0.00 C ATOM 1017 OE1 GLU A 68 18.889 -4.337 23.719 1.00 0.00 O ATOM 1018 OE2 GLU A 68 19.692 -6.177 22.859 1.00 0.00 O ATOM 0 H GLU A 68 16.540 -6.200 19.837 1.00 0.00 H new ATOM 0 HA GLU A 68 16.468 -5.754 22.701 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.884 -3.895 20.310 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.996 -3.387 21.984 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.776 -5.455 20.631 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.225 -3.801 20.997 1.00 0.00 H new ATOM 1025 N PHE A 69 13.970 -4.876 20.746 1.00 0.00 N ATOM 1026 CA PHE A 69 12.608 -4.320 20.698 1.00 0.00 C ATOM 1027 C PHE A 69 11.597 -5.200 19.931 1.00 0.00 C ATOM 1028 O PHE A 69 10.474 -5.376 20.405 1.00 0.00 O ATOM 1029 CB PHE A 69 12.682 -2.906 20.085 1.00 0.00 C ATOM 1030 CG PHE A 69 11.333 -2.224 19.922 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.545 -1.944 21.056 1.00 0.00 C ATOM 1032 CD2 PHE A 69 10.855 -1.878 18.639 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.281 -1.346 20.910 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.589 -1.284 18.494 1.00 0.00 C ATOM 1035 CZ PHE A 69 8.795 -1.025 19.627 1.00 0.00 C ATOM 0 H PHE A 69 14.261 -5.312 19.871 1.00 0.00 H new ATOM 0 HA PHE A 69 12.230 -4.283 21.720 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.318 -2.283 20.714 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.164 -2.970 19.109 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.913 -2.190 22.041 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.463 -2.070 17.767 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.682 -1.132 21.783 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.225 -1.026 17.511 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.817 -0.582 19.513 1.00 0.00 H new ATOM 1045 N LEU A 70 11.962 -5.763 18.769 1.00 0.00 N ATOM 1046 CA LEU A 70 10.984 -6.421 17.887 1.00 0.00 C ATOM 1047 C LEU A 70 10.490 -7.762 18.448 1.00 0.00 C ATOM 1048 O LEU A 70 9.291 -8.040 18.376 1.00 0.00 O ATOM 1049 CB LEU A 70 11.539 -6.569 16.458 1.00 0.00 C ATOM 1050 CG LEU A 70 11.573 -5.302 15.573 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.197 -4.623 15.505 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.647 -4.293 16.010 1.00 0.00 C ATOM 0 H LEU A 70 12.920 -5.776 18.419 1.00 0.00 H new ATOM 0 HA LEU A 70 10.110 -5.771 17.841 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.555 -6.957 16.530 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.945 -7.324 15.943 1.00 0.00 H new ATOM 0 HG LEU A 70 11.842 -5.645 14.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.260 -3.736 14.874 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.469 -5.317 15.084 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.884 -4.333 16.508 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.621 -3.426 15.350 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.453 -3.976 17.035 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.630 -4.761 15.955 1.00 0.00 H new ATOM 1064 N SER A 71 11.364 -8.575 19.047 1.00 0.00 N ATOM 1065 CA SER A 71 10.969 -9.844 19.684 1.00 0.00 C ATOM 1066 C SER A 71 10.275 -9.681 21.056 1.00 0.00 C ATOM 1067 O SER A 71 9.669 -10.633 21.558 1.00 0.00 O ATOM 1068 CB SER A 71 12.188 -10.772 19.815 1.00 0.00 C ATOM 1069 OG SER A 71 13.137 -10.299 20.763 1.00 0.00 O ATOM 0 H SER A 71 12.363 -8.377 19.107 1.00 0.00 H new ATOM 0 HA SER A 71 10.222 -10.287 19.025 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.853 -11.767 20.108 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.670 -10.872 18.843 1.00 0.00 H new ATOM 0 HG SER A 71 13.891 -10.923 20.811 1.00 0.00 H new ATOM 1075 N LYS A 72 10.350 -8.498 21.682 1.00 0.00 N ATOM 1076 CA LYS A 72 9.797 -8.237 23.025 1.00 0.00 C ATOM 1077 C LYS A 72 8.254 -8.292 23.059 1.00 0.00 C ATOM 1078 O LYS A 72 7.677 -8.932 23.945 1.00 0.00 O ATOM 1079 CB LYS A 72 10.295 -6.864 23.522 1.00 0.00 C ATOM 1080 CG LYS A 72 11.821 -6.701 23.648 1.00 0.00 C ATOM 1081 CD LYS A 72 12.413 -7.540 24.794 1.00 0.00 C ATOM 1082 CE LYS A 72 13.930 -7.362 24.945 1.00 0.00 C ATOM 1083 NZ LYS A 72 14.320 -5.980 25.321 1.00 0.00 N ATOM 0 H LYS A 72 10.802 -7.683 21.267 1.00 0.00 H new ATOM 0 HA LYS A 72 10.149 -9.029 23.686 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.923 -6.098 22.842 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.848 -6.669 24.497 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.292 -6.991 22.709 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.058 -5.650 23.812 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.925 -7.264 25.729 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.192 -8.593 24.618 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.298 -8.055 25.702 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.416 -7.628 24.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.261 -5.993 25.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.345 -5.383 24.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.627 -5.595 25.994 1.00 0.00 H new ATOM 1097 N ARG A 73 7.614 -7.637 22.077 1.00 0.00 N ATOM 1098 CA ARG A 73 6.170 -7.477 21.868 1.00 0.00 C ATOM 1099 C ARG A 73 5.926 -6.529 20.685 1.00 0.00 C ATOM 1100 O ARG A 73 6.534 -5.461 20.588 1.00 0.00 O ATOM 1101 CB ARG A 73 5.443 -6.975 23.137 1.00 0.00 C ATOM 1102 CG ARG A 73 3.966 -6.632 22.865 1.00 0.00 C ATOM 1103 CD ARG A 73 3.159 -6.349 24.134 1.00 0.00 C ATOM 1104 NE ARG A 73 1.784 -5.948 23.790 1.00 0.00 N ATOM 1105 CZ ARG A 73 0.711 -6.016 24.566 1.00 0.00 C ATOM 1106 NH1 ARG A 73 0.764 -6.444 25.810 1.00 0.00 N ATOM 1107 NH2 ARG A 73 -0.451 -5.650 24.074 1.00 0.00 N ATOM 0 H ARG A 73 8.144 -7.164 21.345 1.00 0.00 H new ATOM 0 HA ARG A 73 5.752 -8.458 21.641 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.500 -7.739 23.912 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.954 -6.092 23.521 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.918 -5.760 22.212 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.503 -7.459 22.327 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.138 -7.238 24.765 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.641 -5.560 24.711 1.00 0.00 H new ATOM 0 HE ARG A 73 1.641 -5.577 22.851 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.655 -6.739 26.210 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.086 -6.481 26.373 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.516 -5.321 23.111 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.288 -5.695 24.655 1.00 0.00 H new ATOM 1121 N LEU A 74 4.955 -6.885 19.843 1.00 0.00 N ATOM 1122 CA LEU A 74 4.242 -5.977 18.943 1.00 0.00 C ATOM 1123 C LEU A 74 2.746 -6.330 18.978 1.00 0.00 C ATOM 1124 O LEU A 74 2.365 -7.479 18.763 1.00 0.00 O ATOM 1125 CB LEU A 74 4.862 -6.082 17.534 1.00 0.00 C ATOM 1126 CG LEU A 74 4.202 -5.171 16.479 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.328 -3.682 16.810 1.00 0.00 C ATOM 1128 CD2 LEU A 74 4.812 -5.442 15.100 1.00 0.00 C ATOM 0 H LEU A 74 4.631 -7.849 19.766 1.00 0.00 H new ATOM 0 HA LEU A 74 4.337 -4.937 19.255 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.922 -5.836 17.597 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.795 -7.116 17.197 1.00 0.00 H new ATOM 0 HG LEU A 74 3.139 -5.411 16.479 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.844 -3.094 16.030 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.848 -3.480 17.768 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.382 -3.410 16.868 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.341 -4.795 14.360 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.883 -5.240 15.130 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.647 -6.484 14.828 1.00 0.00 H new ATOM 1140 N SER A 75 1.886 -5.352 19.252 1.00 0.00 N ATOM 1141 CA SER A 75 0.420 -5.546 19.316 1.00 0.00 C ATOM 1142 C SER A 75 -0.257 -5.587 17.931 1.00 0.00 C ATOM 1143 O SER A 75 -1.417 -5.987 17.809 1.00 0.00 O ATOM 1144 CB SER A 75 -0.203 -4.417 20.156 1.00 0.00 C ATOM 1145 OG SER A 75 0.346 -4.381 21.470 1.00 0.00 O ATOM 0 H SER A 75 2.178 -4.393 19.439 1.00 0.00 H new ATOM 0 HA SER A 75 0.250 -6.520 19.775 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.034 -3.460 19.663 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.282 -4.559 20.215 1.00 0.00 H new ATOM 0 HG SER A 75 -0.069 -3.653 21.978 1.00 0.00 H new ATOM 1151 N LYS A 76 0.466 -5.176 16.882 1.00 0.00 N ATOM 1152 CA LYS A 76 0.051 -5.200 15.474 1.00 0.00 C ATOM 1153 C LYS A 76 0.437 -6.533 14.784 1.00 0.00 C ATOM 1154 O LYS A 76 1.508 -7.083 15.073 1.00 0.00 O ATOM 1155 CB LYS A 76 0.683 -3.995 14.752 1.00 0.00 C ATOM 1156 CG LYS A 76 0.151 -2.649 15.283 1.00 0.00 C ATOM 1157 CD LYS A 76 0.949 -1.441 14.773 1.00 0.00 C ATOM 1158 CE LYS A 76 0.934 -1.302 13.247 1.00 0.00 C ATOM 1159 NZ LYS A 76 1.587 -0.038 12.822 1.00 0.00 N ATOM 0 H LYS A 76 1.406 -4.798 16.999 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.035 -5.129 15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.766 -4.029 14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.480 -4.067 13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.893 -2.537 14.990 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.177 -2.660 16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.542 -0.533 15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.981 -1.527 15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.448 -2.151 12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.094 -1.324 12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.579 0.025 11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.070 0.771 13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.570 -0.023 13.162 1.00 0.00 H new ATOM 1173 N ALA A 77 -0.413 -7.028 13.871 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.226 -8.197 12.986 1.00 0.00 C ATOM 1175 C ALA A 77 -0.239 -9.574 13.692 1.00 0.00 C ATOM 1176 O ALA A 77 -0.846 -10.519 13.177 1.00 0.00 O ATOM 1177 CB ALA A 77 1.035 -8.010 12.122 1.00 0.00 C ATOM 0 H ALA A 77 -1.321 -6.590 13.717 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.109 -8.226 12.348 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.164 -8.877 11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.928 -7.113 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.907 -7.908 12.768 1.00 0.00 H new ATOM 1183 N ARG A 78 0.406 -9.689 14.858 1.00 0.00 N ATOM 1184 CA ARG A 78 0.466 -10.888 15.716 1.00 0.00 C ATOM 1185 C ARG A 78 -0.903 -11.276 16.300 1.00 0.00 C ATOM 1186 O ARG A 78 -1.235 -12.486 16.270 1.00 0.00 O ATOM 1187 CB ARG A 78 1.503 -10.671 16.836 1.00 0.00 C ATOM 1188 CG ARG A 78 2.951 -10.670 16.311 1.00 0.00 C ATOM 1189 CD ARG A 78 3.976 -10.272 17.384 1.00 0.00 C ATOM 1190 NE ARG A 78 3.925 -11.129 18.589 1.00 0.00 N ATOM 1191 CZ ARG A 78 4.590 -12.247 18.809 1.00 0.00 C ATOM 1192 NH1 ARG A 78 5.401 -12.769 17.936 1.00 0.00 N ATOM 1193 NH2 ARG A 78 4.441 -12.882 19.934 1.00 0.00 N ATOM 1194 OXT ARG A 78 -1.636 -10.384 16.794 1.00 0.00 O ATOM 0 H ARG A 78 0.930 -8.909 15.254 1.00 0.00 H new ATOM 0 HA ARG A 78 0.774 -11.725 15.090 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.301 -9.723 17.335 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.393 -11.455 17.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.196 -11.663 15.933 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.027 -9.981 15.470 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.977 -10.319 16.955 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.803 -9.236 17.676 1.00 0.00 H new ATOM 0 HE ARG A 78 3.304 -10.820 19.336 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.544 -12.311 17.036 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.893 -13.636 18.152 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.810 -12.516 20.647 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.955 -13.746 20.104 1.00 0.00 H new TER 1208 ARG A 78