USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 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 34 TYR OH : rot 180:sc= 0.0659 USER MOD Set 1.2: A 71 SER OG : rot -10:sc= 0.0743 USER MOD Set 2.1: A 31 CYS SG : rot 71:sc= 0.462 USER MOD Set 2.2: A 41 MET CE :methyl 164:sc= 0 (180deg=-0.161) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.976) USER MOD Set 3.2: A 63 ASN : amide:sc=-0.00857 K(o=1.2,f=-0.7) USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 37 ASN : amide:sc= 0.875 K(o=0.88,f=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.019) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 14:sc= 0.0112 USER MOD Single : A 33 GLN : amide:sc=-0.00548 X(o=-0.0055,f=-0.0055) USER MOD Single : A 36 GLN : amide:sc= 0.704 K(o=0.7,f=-4!) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 51 SER OG : rot -24:sc= 0.0282 USER MOD Single : A 52 THR OG1 : rot -74:sc= 1.04 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 84:sc= 0.783 USER MOD Single : A 67 HIS : no HE2:sc= 0.566 K(o=0.57,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= 0.247 (180deg=0) USER MOD Single : A 75 SER OG : rot 134:sc= 1.5 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0.551 (180deg=0.407) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.105 -3.819 4.033 1.00 0.00 N ATOM 2 CA MET A 1 3.700 -2.554 4.536 1.00 0.00 C ATOM 3 C MET A 1 4.563 -1.921 3.445 1.00 0.00 C ATOM 4 O MET A 1 5.617 -2.449 3.091 1.00 0.00 O ATOM 5 CB MET A 1 4.489 -2.763 5.843 1.00 0.00 C ATOM 6 CG MET A 1 5.099 -1.463 6.373 1.00 0.00 C ATOM 7 SD MET A 1 3.911 -0.121 6.643 1.00 0.00 S ATOM 8 CE MET A 1 5.066 1.275 6.740 1.00 0.00 C ATOM 0 H1 MET A 1 2.519 -4.247 4.778 1.00 0.00 H new ATOM 0 H2 MET A 1 2.515 -3.618 3.200 1.00 0.00 H new ATOM 0 H3 MET A 1 3.864 -4.479 3.768 1.00 0.00 H new ATOM 0 HA MET A 1 2.890 -1.867 4.781 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.828 -3.185 6.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.283 -3.490 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.608 -1.674 7.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.858 -1.121 5.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.509 2.197 6.906 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.760 1.117 7.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.624 1.351 5.807 1.00 0.00 H new ATOM 18 N SER A 2 4.143 -0.780 2.901 1.00 0.00 N ATOM 19 CA SER A 2 4.798 -0.096 1.767 1.00 0.00 C ATOM 20 C SER A 2 5.964 0.816 2.219 1.00 0.00 C ATOM 21 O SER A 2 6.026 2.005 1.898 1.00 0.00 O ATOM 22 CB SER A 2 3.757 0.682 0.941 1.00 0.00 C ATOM 23 OG SER A 2 2.702 -0.168 0.517 1.00 0.00 O ATOM 0 H SER A 2 3.317 -0.286 3.239 1.00 0.00 H new ATOM 0 HA SER A 2 5.242 -0.862 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.352 1.499 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.239 1.130 0.072 1.00 0.00 H new ATOM 0 HG SER A 2 2.054 0.350 -0.004 1.00 0.00 H new ATOM 29 N ALA A 3 6.886 0.271 3.026 1.00 0.00 N ATOM 30 CA ALA A 3 8.047 0.977 3.580 1.00 0.00 C ATOM 31 C ALA A 3 9.160 1.159 2.524 1.00 0.00 C ATOM 32 O ALA A 3 10.168 0.454 2.531 1.00 0.00 O ATOM 33 CB ALA A 3 8.522 0.239 4.842 1.00 0.00 C ATOM 0 H ALA A 3 6.841 -0.705 3.320 1.00 0.00 H new ATOM 0 HA ALA A 3 7.761 1.989 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.385 0.755 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.717 0.220 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.801 -0.782 4.583 1.00 0.00 H new ATOM 39 N SER A 4 8.979 2.087 1.587 1.00 0.00 N ATOM 40 CA SER A 4 9.971 2.404 0.550 1.00 0.00 C ATOM 41 C SER A 4 11.301 2.912 1.148 1.00 0.00 C ATOM 42 O SER A 4 11.318 3.762 2.046 1.00 0.00 O ATOM 43 CB SER A 4 9.411 3.441 -0.438 1.00 0.00 C ATOM 44 OG SER A 4 8.255 2.944 -1.106 1.00 0.00 O ATOM 0 H SER A 4 8.131 2.649 1.522 1.00 0.00 H new ATOM 0 HA SER A 4 10.181 1.475 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.160 4.357 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.175 3.699 -1.171 1.00 0.00 H new ATOM 0 HG SER A 4 7.918 3.624 -1.727 1.00 0.00 H new ATOM 50 N ALA A 5 12.435 2.419 0.624 1.00 0.00 N ATOM 51 CA ALA A 5 13.775 2.662 1.165 1.00 0.00 C ATOM 52 C ALA A 5 14.150 4.149 1.269 1.00 0.00 C ATOM 53 O ALA A 5 14.836 4.544 2.210 1.00 0.00 O ATOM 54 CB ALA A 5 14.780 1.894 0.287 1.00 0.00 C ATOM 0 H ALA A 5 12.442 1.827 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 5 13.796 2.304 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.790 2.055 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.548 0.829 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.715 2.253 -0.740 1.00 0.00 H new ATOM 60 N GLN A 6 13.664 4.978 0.341 1.00 0.00 N ATOM 61 CA GLN A 6 13.891 6.425 0.329 1.00 0.00 C ATOM 62 C GLN A 6 13.185 7.140 1.491 1.00 0.00 C ATOM 63 O GLN A 6 13.702 8.136 1.994 1.00 0.00 O ATOM 64 CB GLN A 6 13.426 7.015 -1.018 1.00 0.00 C ATOM 65 CG GLN A 6 14.222 6.524 -2.244 1.00 0.00 C ATOM 66 CD GLN A 6 15.702 6.917 -2.198 1.00 0.00 C ATOM 67 OE1 GLN A 6 16.085 8.045 -2.482 1.00 0.00 O ATOM 68 NE2 GLN A 6 16.590 6.016 -1.819 1.00 0.00 N ATOM 0 H GLN A 6 13.090 4.655 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 6 14.961 6.588 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.374 6.770 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.496 8.102 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.143 5.439 -2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.772 6.932 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.288 5.072 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.578 6.264 -1.766 1.00 0.00 H new ATOM 77 N GLN A 7 12.039 6.637 1.965 1.00 0.00 N ATOM 78 CA GLN A 7 11.319 7.223 3.107 1.00 0.00 C ATOM 79 C GLN A 7 12.012 6.872 4.431 1.00 0.00 C ATOM 80 O GLN A 7 12.085 7.718 5.325 1.00 0.00 O ATOM 81 CB GLN A 7 9.853 6.757 3.121 1.00 0.00 C ATOM 82 CG GLN A 7 9.069 7.235 1.886 1.00 0.00 C ATOM 83 CD GLN A 7 7.593 6.835 1.948 1.00 0.00 C ATOM 84 OE1 GLN A 7 7.134 5.920 1.271 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.782 7.491 2.755 1.00 0.00 N ATOM 0 H GLN A 7 11.584 5.814 1.570 1.00 0.00 H new ATOM 0 HA GLN A 7 11.333 8.307 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.822 5.668 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.366 7.129 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.147 8.319 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.520 6.816 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.141 8.255 3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.796 7.234 2.807 1.00 0.00 H new ATOM 94 N LEU A 8 12.571 5.662 4.550 1.00 0.00 N ATOM 95 CA LEU A 8 13.372 5.263 5.710 1.00 0.00 C ATOM 96 C LEU A 8 14.700 6.032 5.730 1.00 0.00 C ATOM 97 O LEU A 8 15.075 6.574 6.767 1.00 0.00 O ATOM 98 CB LEU A 8 13.517 3.728 5.726 1.00 0.00 C ATOM 99 CG LEU A 8 13.958 3.178 7.103 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.333 1.803 7.361 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.487 3.069 7.232 1.00 0.00 C ATOM 0 H LEU A 8 12.480 4.932 3.843 1.00 0.00 H new ATOM 0 HA LEU A 8 12.872 5.532 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.565 3.276 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.245 3.429 4.971 1.00 0.00 H new ATOM 0 HG LEU A 8 13.607 3.893 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.656 1.434 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.246 1.889 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.652 1.107 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.742 2.678 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.870 2.397 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.934 4.055 7.106 1.00 0.00 H new ATOM 113 N ALA A 9 15.371 6.168 4.581 1.00 0.00 N ATOM 114 CA ALA A 9 16.586 6.983 4.431 1.00 0.00 C ATOM 115 C ALA A 9 16.358 8.481 4.731 1.00 0.00 C ATOM 116 O ALA A 9 17.235 9.134 5.294 1.00 0.00 O ATOM 117 CB ALA A 9 17.140 6.772 3.014 1.00 0.00 C ATOM 0 H ALA A 9 15.083 5.710 3.716 1.00 0.00 H new ATOM 0 HA ALA A 9 17.313 6.653 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.042 7.369 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.378 5.718 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.393 7.079 2.282 1.00 0.00 H new ATOM 123 N GLU A 10 15.177 9.021 4.413 1.00 0.00 N ATOM 124 CA GLU A 10 14.784 10.378 4.802 1.00 0.00 C ATOM 125 C GLU A 10 14.662 10.517 6.334 1.00 0.00 C ATOM 126 O GLU A 10 15.052 11.549 6.883 1.00 0.00 O ATOM 127 CB GLU A 10 13.486 10.777 4.072 1.00 0.00 C ATOM 128 CG GLU A 10 13.124 12.252 4.280 1.00 0.00 C ATOM 129 CD GLU A 10 11.927 12.638 3.398 1.00 0.00 C ATOM 130 OE1 GLU A 10 10.763 12.428 3.822 1.00 0.00 O ATOM 131 OE2 GLU A 10 12.137 13.166 2.276 1.00 0.00 O ATOM 0 H GLU A 10 14.464 8.527 3.876 1.00 0.00 H new ATOM 0 HA GLU A 10 15.568 11.071 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.598 10.581 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.667 10.152 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.884 12.430 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.981 12.881 4.038 1.00 0.00 H new ATOM 138 N GLU A 11 14.203 9.481 7.051 1.00 0.00 N ATOM 139 CA GLU A 11 14.135 9.481 8.516 1.00 0.00 C ATOM 140 C GLU A 11 15.536 9.379 9.159 1.00 0.00 C ATOM 141 O GLU A 11 15.786 10.066 10.152 1.00 0.00 O ATOM 142 CB GLU A 11 13.217 8.338 8.979 1.00 0.00 C ATOM 143 CG GLU A 11 12.689 8.504 10.406 1.00 0.00 C ATOM 144 CD GLU A 11 11.688 9.669 10.520 1.00 0.00 C ATOM 145 OE1 GLU A 11 10.546 9.546 10.018 1.00 0.00 O ATOM 146 OE2 GLU A 11 12.028 10.711 11.128 1.00 0.00 O ATOM 0 H GLU A 11 13.867 8.616 6.627 1.00 0.00 H new ATOM 0 HA GLU A 11 13.717 10.432 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.371 8.265 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.763 7.397 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.207 7.580 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.525 8.677 11.084 1.00 0.00 H new ATOM 153 N LEU A 12 16.473 8.608 8.583 1.00 0.00 N ATOM 154 CA LEU A 12 17.880 8.578 9.018 1.00 0.00 C ATOM 155 C LEU A 12 18.480 9.993 9.052 1.00 0.00 C ATOM 156 O LEU A 12 19.157 10.341 10.020 1.00 0.00 O ATOM 157 CB LEU A 12 18.734 7.677 8.089 1.00 0.00 C ATOM 158 CG LEU A 12 18.362 6.186 8.009 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.330 5.466 7.062 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.393 5.484 9.375 1.00 0.00 C ATOM 0 H LEU A 12 16.276 7.985 7.800 1.00 0.00 H new ATOM 0 HA LEU A 12 17.896 8.163 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.685 8.090 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.772 7.748 8.413 1.00 0.00 H new ATOM 0 HG LEU A 12 17.338 6.137 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.066 4.410 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.265 5.910 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.348 5.566 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.122 4.436 9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.396 5.552 9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.683 5.966 10.048 1.00 0.00 H new ATOM 172 N GLN A 13 18.198 10.823 8.041 1.00 0.00 N ATOM 173 CA GLN A 13 18.700 12.200 7.943 1.00 0.00 C ATOM 174 C GLN A 13 18.151 13.120 9.062 1.00 0.00 C ATOM 175 O GLN A 13 18.841 14.057 9.472 1.00 0.00 O ATOM 176 CB GLN A 13 18.356 12.739 6.542 1.00 0.00 C ATOM 177 CG GLN A 13 19.003 14.100 6.237 1.00 0.00 C ATOM 178 CD GLN A 13 18.747 14.538 4.794 1.00 0.00 C ATOM 179 OE1 GLN A 13 17.822 15.287 4.493 1.00 0.00 O ATOM 180 NE2 GLN A 13 19.550 14.100 3.843 1.00 0.00 N ATOM 0 H GLN A 13 17.606 10.553 7.256 1.00 0.00 H new ATOM 0 HA GLN A 13 19.781 12.192 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.678 12.016 5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.274 12.831 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.609 14.852 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.077 14.040 6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 13 20.324 13.477 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 13 19.397 14.384 2.875 1.00 0.00 H new ATOM 189 N ILE A 14 16.953 12.851 9.602 1.00 0.00 N ATOM 190 CA ILE A 14 16.373 13.615 10.726 1.00 0.00 C ATOM 191 C ILE A 14 17.117 13.343 12.040 1.00 0.00 C ATOM 192 O ILE A 14 17.361 14.268 12.820 1.00 0.00 O ATOM 193 CB ILE A 14 14.853 13.328 10.851 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.062 13.721 9.576 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.231 14.029 12.071 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.165 15.194 9.146 1.00 0.00 C ATOM 0 H ILE A 14 16.353 12.095 9.272 1.00 0.00 H new ATOM 0 HA ILE A 14 16.496 14.677 10.513 1.00 0.00 H new ATOM 0 HB ILE A 14 14.774 12.249 10.983 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.408 13.097 8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.011 13.483 9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.166 13.800 12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.719 13.678 12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.367 15.107 11.980 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.573 15.352 8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.788 15.833 9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.207 15.442 8.944 1.00 0.00 H new ATOM 208 N PHE A 15 17.511 12.085 12.278 1.00 0.00 N ATOM 209 CA PHE A 15 18.277 11.667 13.459 1.00 0.00 C ATOM 210 C PHE A 15 19.804 11.839 13.307 1.00 0.00 C ATOM 211 O PHE A 15 20.540 11.651 14.280 1.00 0.00 O ATOM 212 CB PHE A 15 17.887 10.220 13.806 1.00 0.00 C ATOM 213 CG PHE A 15 16.518 10.096 14.455 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.385 10.254 15.845 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.378 9.836 13.675 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.122 10.136 16.454 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.114 9.728 14.279 1.00 0.00 C ATOM 218 CZ PHE A 15 13.986 9.878 15.671 1.00 0.00 C ATOM 0 H PHE A 15 17.302 11.315 11.643 1.00 0.00 H new ATOM 0 HA PHE A 15 18.017 12.330 14.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 17.904 9.620 12.896 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.637 9.802 14.477 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.255 10.467 16.448 1.00 0.00 H new ATOM 0 HD2 PHE A 15 15.474 9.719 12.606 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.027 10.244 17.524 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.241 9.530 13.674 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.015 9.795 16.137 1.00 0.00 H new ATOM 228 N GLY A 16 20.299 12.181 12.109 1.00 0.00 N ATOM 229 CA GLY A 16 21.732 12.323 11.802 1.00 0.00 C ATOM 230 C GLY A 16 22.447 10.996 11.531 1.00 0.00 C ATOM 231 O GLY A 16 23.680 10.956 11.537 1.00 0.00 O ATOM 0 H GLY A 16 19.700 12.372 11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.844 12.968 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.223 12.825 12.636 1.00 0.00 H new ATOM 235 N LEU A 17 21.696 9.914 11.289 1.00 0.00 N ATOM 236 CA LEU A 17 22.198 8.594 10.910 1.00 0.00 C ATOM 237 C LEU A 17 22.617 8.550 9.426 1.00 0.00 C ATOM 238 O LEU A 17 22.232 9.399 8.615 1.00 0.00 O ATOM 239 CB LEU A 17 21.119 7.524 11.206 1.00 0.00 C ATOM 240 CG LEU A 17 20.773 7.308 12.693 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.663 6.249 12.793 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.985 6.852 13.525 1.00 0.00 C ATOM 0 H LEU A 17 20.679 9.939 11.356 1.00 0.00 H new ATOM 0 HA LEU A 17 23.088 8.382 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.207 7.800 10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.454 6.574 10.789 1.00 0.00 H new ATOM 0 HG LEU A 17 20.445 8.265 13.099 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.409 6.086 13.840 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.781 6.595 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.012 5.314 12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.683 6.716 14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.363 5.909 13.130 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.768 7.608 13.471 1.00 0.00 H new ATOM 254 N ASP A 18 23.377 7.513 9.067 1.00 0.00 N ATOM 255 CA ASP A 18 23.806 7.202 7.700 1.00 0.00 C ATOM 256 C ASP A 18 24.054 5.690 7.556 1.00 0.00 C ATOM 257 O ASP A 18 24.734 5.082 8.387 1.00 0.00 O ATOM 258 CB ASP A 18 25.068 8.005 7.346 1.00 0.00 C ATOM 259 CG ASP A 18 25.566 7.708 5.924 1.00 0.00 C ATOM 260 OD1 ASP A 18 24.838 8.019 4.950 1.00 0.00 O ATOM 261 OD2 ASP A 18 26.686 7.159 5.778 1.00 0.00 O ATOM 0 H ASP A 18 23.725 6.839 9.748 1.00 0.00 H new ATOM 0 HA ASP A 18 23.017 7.486 7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.857 9.070 7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.857 7.772 8.061 1.00 0.00 H new ATOM 266 N CYS A 19 23.491 5.100 6.498 1.00 0.00 N ATOM 267 CA CYS A 19 23.513 3.662 6.208 1.00 0.00 C ATOM 268 C CYS A 19 23.760 3.410 4.710 1.00 0.00 C ATOM 269 O CYS A 19 23.329 4.191 3.857 1.00 0.00 O ATOM 270 CB CYS A 19 22.164 3.051 6.634 1.00 0.00 C ATOM 271 SG CYS A 19 22.028 2.950 8.444 1.00 0.00 S ATOM 0 H CYS A 19 22.986 5.633 5.790 1.00 0.00 H new ATOM 0 HA CYS A 19 24.326 3.194 6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.347 3.655 6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.061 2.055 6.203 1.00 0.00 H new ATOM 0 HG CYS A 19 22.955 3.679 8.990 1.00 0.00 H new ATOM 277 N GLU A 20 24.405 2.281 4.389 1.00 0.00 N ATOM 278 CA GLU A 20 24.445 1.737 3.026 1.00 0.00 C ATOM 279 C GLU A 20 23.100 1.088 2.647 1.00 0.00 C ATOM 280 O GLU A 20 22.286 0.763 3.521 1.00 0.00 O ATOM 281 CB GLU A 20 25.613 0.744 2.859 1.00 0.00 C ATOM 282 CG GLU A 20 25.561 -0.488 3.771 1.00 0.00 C ATOM 283 CD GLU A 20 26.813 -1.360 3.584 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.910 -2.074 2.559 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.722 -1.318 4.450 1.00 0.00 O ATOM 0 H GLU A 20 24.915 1.718 5.069 1.00 0.00 H new ATOM 0 HA GLU A 20 24.616 2.567 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.637 0.408 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.548 1.273 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.484 -0.173 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.669 -1.073 3.549 1.00 0.00 H new ATOM 292 N GLU A 21 22.882 0.852 1.350 1.00 0.00 N ATOM 293 CA GLU A 21 21.680 0.200 0.815 1.00 0.00 C ATOM 294 C GLU A 21 21.381 -1.131 1.527 1.00 0.00 C ATOM 295 O GLU A 21 20.231 -1.403 1.867 1.00 0.00 O ATOM 296 CB GLU A 21 21.849 -0.001 -0.702 1.00 0.00 C ATOM 297 CG GLU A 21 20.592 -0.579 -1.369 1.00 0.00 C ATOM 298 CD GLU A 21 20.783 -0.696 -2.888 1.00 0.00 C ATOM 299 OE1 GLU A 21 21.400 -1.685 -3.353 1.00 0.00 O ATOM 300 OE2 GLU A 21 20.313 0.196 -3.638 1.00 0.00 O ATOM 0 H GLU A 21 23.550 1.114 0.625 1.00 0.00 H new ATOM 0 HA GLU A 21 20.821 0.845 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.094 0.955 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.691 -0.669 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.371 -1.561 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.735 0.059 -1.154 1.00 0.00 H new ATOM 307 N ALA A 22 22.410 -1.935 1.822 1.00 0.00 N ATOM 308 CA ALA A 22 22.260 -3.234 2.496 1.00 0.00 C ATOM 309 C ALA A 22 21.775 -3.114 3.958 1.00 0.00 C ATOM 310 O ALA A 22 21.158 -4.049 4.473 1.00 0.00 O ATOM 311 CB ALA A 22 23.599 -3.974 2.408 1.00 0.00 C ATOM 0 H ALA A 22 23.378 -1.702 1.599 1.00 0.00 H new ATOM 0 HA ALA A 22 21.478 -3.798 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.513 -4.942 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.864 -4.123 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.374 -3.384 2.898 1.00 0.00 H new ATOM 317 N LEU A 23 22.026 -1.975 4.620 1.00 0.00 N ATOM 318 CA LEU A 23 21.524 -1.677 5.971 1.00 0.00 C ATOM 319 C LEU A 23 20.171 -0.958 5.929 1.00 0.00 C ATOM 320 O LEU A 23 19.321 -1.231 6.771 1.00 0.00 O ATOM 321 CB LEU A 23 22.579 -0.880 6.752 1.00 0.00 C ATOM 322 CG LEU A 23 23.893 -1.642 7.031 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.822 -0.741 7.860 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.672 -2.970 7.776 1.00 0.00 C ATOM 0 H LEU A 23 22.592 -1.223 4.227 1.00 0.00 H new ATOM 0 HA LEU A 23 21.350 -2.617 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.813 0.028 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.147 -0.568 7.703 1.00 0.00 H new ATOM 0 HG LEU A 23 24.339 -1.890 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.754 -1.269 8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.036 0.171 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.336 -0.486 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.632 -3.458 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.194 -2.774 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.033 -3.620 7.179 1.00 0.00 H new ATOM 336 N ILE A 24 19.896 -0.108 4.932 1.00 0.00 N ATOM 337 CA ILE A 24 18.542 0.445 4.707 1.00 0.00 C ATOM 338 C ILE A 24 17.551 -0.698 4.440 1.00 0.00 C ATOM 339 O ILE A 24 16.506 -0.781 5.093 1.00 0.00 O ATOM 340 CB ILE A 24 18.565 1.505 3.577 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.442 2.721 3.968 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.133 1.985 3.264 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.825 3.623 2.786 1.00 0.00 C ATOM 0 H ILE A 24 20.593 0.217 4.262 1.00 0.00 H new ATOM 0 HA ILE A 24 18.202 0.963 5.604 1.00 0.00 H new ATOM 0 HB ILE A 24 18.994 1.036 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.908 3.317 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.353 2.360 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.165 2.729 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.527 1.137 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.694 2.428 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.438 4.450 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.388 3.044 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.921 4.016 2.320 1.00 0.00 H new ATOM 355 N GLU A 25 17.909 -1.633 3.557 1.00 0.00 N ATOM 356 CA GLU A 25 17.162 -2.876 3.318 1.00 0.00 C ATOM 357 C GLU A 25 16.986 -3.708 4.595 1.00 0.00 C ATOM 358 O GLU A 25 15.919 -4.295 4.780 1.00 0.00 O ATOM 359 CB GLU A 25 17.838 -3.728 2.232 1.00 0.00 C ATOM 360 CG GLU A 25 17.623 -3.152 0.827 1.00 0.00 C ATOM 361 CD GLU A 25 18.229 -4.035 -0.279 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.298 -4.666 -0.074 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.625 -4.111 -1.376 1.00 0.00 O ATOM 0 H GLU A 25 18.742 -1.548 2.975 1.00 0.00 H new ATOM 0 HA GLU A 25 16.171 -2.578 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.907 -3.793 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.443 -4.743 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.554 -3.035 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.066 -2.158 0.775 1.00 0.00 H new ATOM 370 N LYS A 26 17.958 -3.728 5.521 1.00 0.00 N ATOM 371 CA LYS A 26 17.807 -4.423 6.807 1.00 0.00 C ATOM 372 C LYS A 26 16.678 -3.832 7.665 1.00 0.00 C ATOM 373 O LYS A 26 15.866 -4.591 8.199 1.00 0.00 O ATOM 374 CB LYS A 26 19.162 -4.495 7.542 1.00 0.00 C ATOM 375 CG LYS A 26 19.129 -5.232 8.891 1.00 0.00 C ATOM 376 CD LYS A 26 18.741 -6.711 8.788 1.00 0.00 C ATOM 377 CE LYS A 26 18.700 -7.336 10.190 1.00 0.00 C ATOM 378 NZ LYS A 26 18.439 -8.795 10.128 1.00 0.00 N ATOM 0 H LYS A 26 18.860 -3.268 5.401 1.00 0.00 H new ATOM 0 HA LYS A 26 17.496 -5.448 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.885 -4.988 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.523 -3.480 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.111 -5.157 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.423 -4.728 9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.767 -6.809 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.459 -7.242 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.648 -7.156 10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.924 -6.851 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.118 -9.130 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.703 -8.986 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.313 -9.293 9.863 1.00 0.00 H new ATOM 392 N LEU A 27 16.566 -2.502 7.773 1.00 0.00 N ATOM 393 CA LEU A 27 15.478 -1.854 8.522 1.00 0.00 C ATOM 394 C LEU A 27 14.146 -1.879 7.750 1.00 0.00 C ATOM 395 O LEU A 27 13.100 -2.079 8.367 1.00 0.00 O ATOM 396 CB LEU A 27 15.846 -0.419 8.960 1.00 0.00 C ATOM 397 CG LEU A 27 16.899 -0.268 10.081 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.656 -1.203 11.274 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.328 -0.450 9.564 1.00 0.00 C ATOM 0 H LEU A 27 17.222 -1.847 7.347 1.00 0.00 H new ATOM 0 HA LEU A 27 15.338 -2.443 9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.207 0.119 8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.933 0.079 9.286 1.00 0.00 H new ATOM 0 HG LEU A 27 16.782 0.756 10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.431 -1.045 12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.680 -0.990 11.710 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.684 -2.239 10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.031 -0.335 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.435 -1.445 9.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.537 0.300 8.801 1.00 0.00 H new ATOM 411 N VAL A 28 14.170 -1.760 6.419 1.00 0.00 N ATOM 412 CA VAL A 28 12.970 -1.959 5.570 1.00 0.00 C ATOM 413 C VAL A 28 12.412 -3.382 5.732 1.00 0.00 C ATOM 414 O VAL A 28 11.198 -3.554 5.869 1.00 0.00 O ATOM 415 CB VAL A 28 13.267 -1.647 4.082 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.185 -2.166 3.119 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.417 -0.130 3.870 1.00 0.00 C ATOM 0 H VAL A 28 15.012 -1.525 5.893 1.00 0.00 H new ATOM 0 HA VAL A 28 12.209 -1.255 5.907 1.00 0.00 H new ATOM 0 HB VAL A 28 14.197 -2.168 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.458 -1.913 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.101 -3.249 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.228 -1.705 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.625 0.072 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.493 0.371 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.239 0.243 4.481 1.00 0.00 H new ATOM 427 N GLU A 29 13.276 -4.403 5.790 1.00 0.00 N ATOM 428 CA GLU A 29 12.876 -5.793 6.033 1.00 0.00 C ATOM 429 C GLU A 29 12.136 -5.949 7.368 1.00 0.00 C ATOM 430 O GLU A 29 11.134 -6.664 7.408 1.00 0.00 O ATOM 431 CB GLU A 29 14.105 -6.718 5.953 1.00 0.00 C ATOM 432 CG GLU A 29 13.747 -8.203 6.085 1.00 0.00 C ATOM 433 CD GLU A 29 14.994 -9.082 5.892 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.768 -9.263 6.863 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.206 -9.613 4.775 1.00 0.00 O ATOM 0 H GLU A 29 14.282 -4.285 5.668 1.00 0.00 H new ATOM 0 HA GLU A 29 12.173 -6.086 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.614 -6.556 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.808 -6.448 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.312 -8.391 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.992 -8.467 5.345 1.00 0.00 H new ATOM 442 N LEU A 30 12.535 -5.236 8.434 1.00 0.00 N ATOM 443 CA LEU A 30 11.798 -5.255 9.708 1.00 0.00 C ATOM 444 C LEU A 30 10.385 -4.682 9.523 1.00 0.00 C ATOM 445 O LEU A 30 9.412 -5.295 9.950 1.00 0.00 O ATOM 446 CB LEU A 30 12.537 -4.499 10.835 1.00 0.00 C ATOM 447 CG LEU A 30 14.029 -4.810 11.043 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.501 -4.239 12.390 1.00 0.00 C ATOM 449 CD2 LEU A 30 14.375 -6.302 10.984 1.00 0.00 C ATOM 0 H LEU A 30 13.363 -4.640 8.439 1.00 0.00 H new ATOM 0 HA LEU A 30 11.728 -6.299 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.440 -3.431 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.018 -4.702 11.772 1.00 0.00 H new ATOM 0 HG LEU A 30 14.548 -4.336 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.558 -4.463 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.355 -3.159 12.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.925 -4.689 13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.446 -6.434 11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.827 -6.834 11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.099 -6.701 10.008 1.00 0.00 H new ATOM 461 N CYS A 31 10.262 -3.547 8.828 1.00 0.00 N ATOM 462 CA CYS A 31 8.974 -2.902 8.556 1.00 0.00 C ATOM 463 C CYS A 31 8.021 -3.832 7.780 1.00 0.00 C ATOM 464 O CYS A 31 6.829 -3.883 8.083 1.00 0.00 O ATOM 465 CB CYS A 31 9.197 -1.586 7.795 1.00 0.00 C ATOM 466 SG CYS A 31 10.287 -0.455 8.722 1.00 0.00 S ATOM 0 H CYS A 31 11.059 -3.046 8.436 1.00 0.00 H new ATOM 0 HA CYS A 31 8.498 -2.682 9.512 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.636 -1.798 6.820 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.237 -1.102 7.614 1.00 0.00 H new ATOM 0 HG CYS A 31 11.501 -0.919 8.715 1.00 0.00 H new ATOM 472 N VAL A 32 8.549 -4.589 6.815 1.00 0.00 N ATOM 473 CA VAL A 32 7.806 -5.559 5.988 1.00 0.00 C ATOM 474 C VAL A 32 7.449 -6.834 6.774 1.00 0.00 C ATOM 475 O VAL A 32 6.328 -7.334 6.653 1.00 0.00 O ATOM 476 CB VAL A 32 8.619 -5.897 4.705 1.00 0.00 C ATOM 477 CG1 VAL A 32 8.015 -7.044 3.878 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.727 -4.659 3.788 1.00 0.00 C ATOM 0 H VAL A 32 9.539 -4.546 6.575 1.00 0.00 H new ATOM 0 HA VAL A 32 6.863 -5.098 5.695 1.00 0.00 H new ATOM 0 HB VAL A 32 9.599 -6.213 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.634 -7.224 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.975 -7.948 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.007 -6.774 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.299 -4.916 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.728 -4.333 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.230 -3.853 4.322 1.00 0.00 H new ATOM 488 N GLN A 33 8.376 -7.365 7.585 1.00 0.00 N ATOM 489 CA GLN A 33 8.195 -8.617 8.335 1.00 0.00 C ATOM 490 C GLN A 33 7.272 -8.444 9.557 1.00 0.00 C ATOM 491 O GLN A 33 6.319 -9.202 9.740 1.00 0.00 O ATOM 492 CB GLN A 33 9.578 -9.139 8.764 1.00 0.00 C ATOM 493 CG GLN A 33 9.558 -10.498 9.489 1.00 0.00 C ATOM 494 CD GLN A 33 9.035 -11.642 8.618 1.00 0.00 C ATOM 495 OE1 GLN A 33 7.947 -12.171 8.819 1.00 0.00 O ATOM 496 NE2 GLN A 33 9.767 -12.066 7.609 1.00 0.00 N ATOM 0 H GLN A 33 9.286 -6.931 7.741 1.00 0.00 H new ATOM 0 HA GLN A 33 7.705 -9.341 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.209 -9.224 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.043 -8.401 9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.567 -10.738 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.937 -10.417 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.675 -11.640 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.426 -12.820 7.013 1.00 0.00 H new ATOM 505 N TYR A 34 7.561 -7.448 10.401 1.00 0.00 N ATOM 506 CA TYR A 34 6.860 -7.201 11.662 1.00 0.00 C ATOM 507 C TYR A 34 5.587 -6.349 11.502 1.00 0.00 C ATOM 508 O TYR A 34 4.717 -6.368 12.377 1.00 0.00 O ATOM 509 CB TYR A 34 7.841 -6.533 12.640 1.00 0.00 C ATOM 510 CG TYR A 34 8.925 -7.476 13.141 1.00 0.00 C ATOM 511 CD1 TYR A 34 8.648 -8.392 14.176 1.00 0.00 C ATOM 512 CD2 TYR A 34 10.202 -7.475 12.546 1.00 0.00 C ATOM 513 CE1 TYR A 34 9.644 -9.284 14.624 1.00 0.00 C ATOM 514 CE2 TYR A 34 11.200 -8.363 12.985 1.00 0.00 C ATOM 515 CZ TYR A 34 10.925 -9.268 14.032 1.00 0.00 C ATOM 516 OH TYR A 34 11.895 -10.117 14.467 1.00 0.00 O ATOM 0 H TYR A 34 8.307 -6.776 10.220 1.00 0.00 H new ATOM 0 HA TYR A 34 6.519 -8.162 12.048 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.309 -5.680 12.149 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.285 -6.144 13.493 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.667 -8.411 14.628 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.417 -6.785 11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 9.426 -9.980 15.421 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.175 -8.352 12.522 1.00 0.00 H new ATOM 0 HH TYR A 34 12.714 -9.971 13.948 1.00 0.00 H new ATOM 526 N GLY A 35 5.463 -5.593 10.398 1.00 0.00 N ATOM 527 CA GLY A 35 4.329 -4.691 10.150 1.00 0.00 C ATOM 528 C GLY A 35 4.296 -3.496 11.110 1.00 0.00 C ATOM 529 O GLY A 35 3.219 -3.004 11.446 1.00 0.00 O ATOM 0 H GLY A 35 6.154 -5.592 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.380 -4.325 9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.399 -5.251 10.243 1.00 0.00 H new ATOM 533 N GLN A 36 5.462 -3.089 11.609 1.00 0.00 N ATOM 534 CA GLN A 36 5.671 -1.934 12.486 1.00 0.00 C ATOM 535 C GLN A 36 6.330 -0.807 11.669 1.00 0.00 C ATOM 536 O GLN A 36 7.106 -1.073 10.749 1.00 0.00 O ATOM 537 CB GLN A 36 6.527 -2.402 13.685 1.00 0.00 C ATOM 538 CG GLN A 36 6.898 -1.329 14.721 1.00 0.00 C ATOM 539 CD GLN A 36 5.676 -0.703 15.395 1.00 0.00 C ATOM 540 OE1 GLN A 36 5.017 0.173 14.850 1.00 0.00 O ATOM 541 NE2 GLN A 36 5.300 -1.133 16.584 1.00 0.00 N ATOM 0 H GLN A 36 6.332 -3.580 11.403 1.00 0.00 H new ATOM 0 HA GLN A 36 4.737 -1.534 12.880 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.990 -3.200 14.197 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.449 -2.836 13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.539 -1.773 15.483 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.478 -0.546 14.233 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.835 -1.862 17.055 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.474 -0.736 17.032 1.00 0.00 H new ATOM 550 N ASN A 37 6.015 0.455 11.972 1.00 0.00 N ATOM 551 CA ASN A 37 6.476 1.607 11.183 1.00 0.00 C ATOM 552 C ASN A 37 7.997 1.852 11.275 1.00 0.00 C ATOM 553 O ASN A 37 8.669 1.464 12.235 1.00 0.00 O ATOM 554 CB ASN A 37 5.684 2.869 11.580 1.00 0.00 C ATOM 555 CG ASN A 37 4.367 2.974 10.823 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.300 2.657 11.341 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.410 3.409 9.574 1.00 0.00 N ATOM 0 H ASN A 37 5.434 0.710 12.770 1.00 0.00 H new ATOM 0 HA ASN A 37 6.282 1.370 10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.486 2.851 12.652 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.288 3.754 11.382 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.550 3.484 9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.303 3.669 9.155 1.00 0.00 H new ATOM 564 N GLU A 38 8.524 2.560 10.275 1.00 0.00 N ATOM 565 CA GLU A 38 9.928 2.933 10.131 1.00 0.00 C ATOM 566 C GLU A 38 10.437 3.846 11.263 1.00 0.00 C ATOM 567 O GLU A 38 11.585 3.705 11.686 1.00 0.00 O ATOM 568 CB GLU A 38 10.186 3.556 8.740 1.00 0.00 C ATOM 569 CG GLU A 38 9.330 4.777 8.344 1.00 0.00 C ATOM 570 CD GLU A 38 7.965 4.391 7.748 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.035 4.070 8.527 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.809 4.431 6.504 1.00 0.00 O ATOM 0 H GLU A 38 7.951 2.906 9.505 1.00 0.00 H new ATOM 0 HA GLU A 38 10.506 2.012 10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.235 3.848 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.035 2.780 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.172 5.402 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.879 5.378 7.619 1.00 0.00 H new ATOM 579 N GLU A 39 9.591 4.716 11.824 1.00 0.00 N ATOM 580 CA GLU A 39 9.926 5.512 13.016 1.00 0.00 C ATOM 581 C GLU A 39 10.138 4.641 14.271 1.00 0.00 C ATOM 582 O GLU A 39 10.968 4.961 15.121 1.00 0.00 O ATOM 583 CB GLU A 39 8.858 6.590 13.263 1.00 0.00 C ATOM 584 CG GLU A 39 7.472 6.056 13.648 1.00 0.00 C ATOM 585 CD GLU A 39 6.472 7.205 13.853 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.435 7.799 14.960 1.00 0.00 O ATOM 587 OE2 GLU A 39 5.699 7.512 12.917 1.00 0.00 O ATOM 0 H GLU A 39 8.652 4.891 11.466 1.00 0.00 H new ATOM 0 HA GLU A 39 10.879 6.003 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.208 7.252 14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.760 7.195 12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.107 5.388 12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.547 5.468 14.563 1.00 0.00 H new ATOM 594 N GLY A 40 9.454 3.487 14.342 1.00 0.00 N ATOM 595 CA GLY A 40 9.640 2.465 15.378 1.00 0.00 C ATOM 596 C GLY A 40 10.915 1.643 15.181 1.00 0.00 C ATOM 597 O GLY A 40 11.369 1.002 16.127 1.00 0.00 O ATOM 0 H GLY A 40 8.738 3.235 13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.672 2.947 16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.779 1.796 15.380 1.00 0.00 H new ATOM 601 N MET A 41 11.525 1.694 13.987 1.00 0.00 N ATOM 602 CA MET A 41 12.893 1.211 13.750 1.00 0.00 C ATOM 603 C MET A 41 13.906 2.323 14.041 1.00 0.00 C ATOM 604 O MET A 41 14.700 2.216 14.973 1.00 0.00 O ATOM 605 CB MET A 41 13.070 0.658 12.321 1.00 0.00 C ATOM 606 CG MET A 41 12.016 -0.368 11.888 1.00 0.00 C ATOM 607 SD MET A 41 11.675 -1.698 13.066 1.00 0.00 S ATOM 608 CE MET A 41 10.116 -2.264 12.336 1.00 0.00 C ATOM 0 H MET A 41 11.079 2.075 13.153 1.00 0.00 H new ATOM 0 HA MET A 41 13.077 0.383 14.435 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.052 1.492 11.620 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.055 0.198 12.245 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.084 0.160 11.687 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.338 -0.816 10.948 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.869 -3.251 12.726 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.320 -1.564 12.590 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.220 -2.318 11.252 1.00 0.00 H new ATOM 618 N VAL A 42 13.848 3.408 13.266 1.00 0.00 N ATOM 619 CA VAL A 42 14.888 4.447 13.189 1.00 0.00 C ATOM 620 C VAL A 42 15.028 5.251 14.493 1.00 0.00 C ATOM 621 O VAL A 42 16.148 5.578 14.889 1.00 0.00 O ATOM 622 CB VAL A 42 14.614 5.370 11.975 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.539 6.593 11.918 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.772 4.584 10.658 1.00 0.00 C ATOM 0 H VAL A 42 13.054 3.598 12.655 1.00 0.00 H new ATOM 0 HA VAL A 42 15.847 3.948 13.048 1.00 0.00 H new ATOM 0 HB VAL A 42 13.592 5.727 12.100 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.292 7.195 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.407 7.191 12.820 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.575 6.262 11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.576 5.245 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.788 4.195 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.064 3.756 10.641 1.00 0.00 H new ATOM 634 N GLY A 43 13.923 5.531 15.195 1.00 0.00 N ATOM 635 CA GLY A 43 13.945 6.297 16.449 1.00 0.00 C ATOM 636 C GLY A 43 14.382 5.460 17.655 1.00 0.00 C ATOM 637 O GLY A 43 15.161 5.933 18.482 1.00 0.00 O ATOM 0 H GLY A 43 12.990 5.234 14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.621 7.145 16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.951 6.704 16.637 1.00 0.00 H new ATOM 641 N GLU A 44 13.931 4.204 17.735 1.00 0.00 N ATOM 642 CA GLU A 44 14.244 3.299 18.848 1.00 0.00 C ATOM 643 C GLU A 44 15.682 2.759 18.770 1.00 0.00 C ATOM 644 O GLU A 44 16.285 2.462 19.803 1.00 0.00 O ATOM 645 CB GLU A 44 13.249 2.124 18.887 1.00 0.00 C ATOM 646 CG GLU A 44 11.787 2.551 19.098 1.00 0.00 C ATOM 647 CD GLU A 44 11.581 3.335 20.402 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.682 2.734 21.498 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.297 4.558 20.344 1.00 0.00 O ATOM 0 H GLU A 44 13.334 3.783 17.024 1.00 0.00 H new ATOM 0 HA GLU A 44 14.155 3.881 19.765 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.323 1.567 17.953 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.537 1.443 19.688 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.467 3.164 18.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.152 1.665 19.107 1.00 0.00 H new ATOM 656 N LEU A 45 16.266 2.673 17.568 1.00 0.00 N ATOM 657 CA LEU A 45 17.654 2.253 17.351 1.00 0.00 C ATOM 658 C LEU A 45 18.671 3.193 18.022 1.00 0.00 C ATOM 659 O LEU A 45 19.718 2.735 18.482 1.00 0.00 O ATOM 660 CB LEU A 45 17.857 2.158 15.826 1.00 0.00 C ATOM 661 CG LEU A 45 19.246 1.693 15.361 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.561 0.263 15.833 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.280 1.767 13.830 1.00 0.00 C ATOM 0 H LEU A 45 15.776 2.898 16.702 1.00 0.00 H new ATOM 0 HA LEU A 45 17.832 1.286 17.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.112 1.473 15.422 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.659 3.138 15.391 1.00 0.00 H new ATOM 0 HG LEU A 45 20.005 2.342 15.798 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.552 -0.026 15.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.536 0.226 16.922 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.818 -0.425 15.429 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.257 1.442 13.472 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.508 1.118 13.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.100 2.794 13.511 1.00 0.00 H new ATOM 675 N ILE A 46 18.356 4.490 18.139 1.00 0.00 N ATOM 676 CA ILE A 46 19.192 5.487 18.847 1.00 0.00 C ATOM 677 C ILE A 46 19.405 5.085 20.309 1.00 0.00 C ATOM 678 O ILE A 46 20.537 5.126 20.796 1.00 0.00 O ATOM 679 CB ILE A 46 18.554 6.897 18.770 1.00 0.00 C ATOM 680 CG1 ILE A 46 18.267 7.368 17.326 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.422 7.937 19.509 1.00 0.00 C ATOM 682 CD1 ILE A 46 19.486 7.412 16.402 1.00 0.00 C ATOM 0 H ILE A 46 17.505 4.888 17.742 1.00 0.00 H new ATOM 0 HA ILE A 46 20.163 5.517 18.352 1.00 0.00 H new ATOM 0 HB ILE A 46 17.588 6.813 19.267 1.00 0.00 H new ATOM 0 HG12 ILE A 46 17.521 6.706 16.886 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.825 8.364 17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.952 8.918 19.440 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.517 7.653 20.557 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.411 7.976 19.053 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.181 7.754 15.413 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.228 8.098 16.811 1.00 0.00 H new ATOM 0 HD13 ILE A 46 19.919 6.415 16.323 1.00 0.00 H new ATOM 694 N ALA A 47 18.338 4.677 20.998 1.00 0.00 N ATOM 695 CA ALA A 47 18.386 4.297 22.405 1.00 0.00 C ATOM 696 C ALA A 47 19.290 3.074 22.636 1.00 0.00 C ATOM 697 O ALA A 47 20.064 3.072 23.593 1.00 0.00 O ATOM 698 CB ALA A 47 16.953 4.055 22.898 1.00 0.00 C ATOM 0 H ALA A 47 17.407 4.601 20.587 1.00 0.00 H new ATOM 0 HA ALA A 47 18.830 5.108 22.983 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.973 3.770 23.950 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.369 4.968 22.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.497 3.255 22.314 1.00 0.00 H new ATOM 704 N PHE A 48 19.250 2.089 21.728 1.00 0.00 N ATOM 705 CA PHE A 48 20.115 0.907 21.766 1.00 0.00 C ATOM 706 C PHE A 48 21.598 1.271 21.583 1.00 0.00 C ATOM 707 O PHE A 48 22.434 0.866 22.395 1.00 0.00 O ATOM 708 CB PHE A 48 19.642 -0.105 20.707 1.00 0.00 C ATOM 709 CG PHE A 48 20.500 -1.362 20.615 1.00 0.00 C ATOM 710 CD1 PHE A 48 20.760 -2.131 21.766 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.038 -1.766 19.378 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.564 -3.284 21.690 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.837 -2.921 19.303 1.00 0.00 C ATOM 714 CZ PHE A 48 22.106 -3.677 20.457 1.00 0.00 C ATOM 0 H PHE A 48 18.606 2.093 20.937 1.00 0.00 H new ATOM 0 HA PHE A 48 20.036 0.450 22.752 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.616 -0.395 20.931 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.629 0.385 19.733 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.339 -1.834 22.715 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.837 -1.189 18.487 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.763 -3.865 22.579 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.247 -3.229 18.352 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.728 -4.558 20.395 1.00 0.00 H new ATOM 724 N CYS A 49 21.934 2.074 20.568 1.00 0.00 N ATOM 725 CA CYS A 49 23.305 2.554 20.349 1.00 0.00 C ATOM 726 C CYS A 49 23.825 3.419 21.517 1.00 0.00 C ATOM 727 O CYS A 49 25.001 3.317 21.881 1.00 0.00 O ATOM 728 CB CYS A 49 23.362 3.306 19.008 1.00 0.00 C ATOM 729 SG CYS A 49 23.051 2.136 17.647 1.00 0.00 S ATOM 0 H CYS A 49 21.265 2.410 19.875 1.00 0.00 H new ATOM 0 HA CYS A 49 23.972 1.693 20.308 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.619 4.104 18.994 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.337 3.776 18.883 1.00 0.00 H new ATOM 0 HG CYS A 49 23.096 2.769 16.512 1.00 0.00 H new ATOM 735 N THR A 50 22.948 4.228 22.135 1.00 0.00 N ATOM 736 CA THR A 50 23.267 5.081 23.292 1.00 0.00 C ATOM 737 C THR A 50 23.524 4.238 24.539 1.00 0.00 C ATOM 738 O THR A 50 24.534 4.440 25.206 1.00 0.00 O ATOM 739 CB THR A 50 22.145 6.098 23.538 1.00 0.00 C ATOM 740 OG1 THR A 50 21.995 6.889 22.382 1.00 0.00 O ATOM 741 CG2 THR A 50 22.472 7.047 24.698 1.00 0.00 C ATOM 0 H THR A 50 21.976 4.309 21.837 1.00 0.00 H new ATOM 0 HA THR A 50 24.181 5.630 23.068 1.00 0.00 H new ATOM 0 HB THR A 50 21.241 5.540 23.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.488 6.390 21.708 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.650 7.749 24.836 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.613 6.470 25.612 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.385 7.597 24.472 1.00 0.00 H new ATOM 749 N SER A 51 22.650 3.284 24.865 1.00 0.00 N ATOM 750 CA SER A 51 22.764 2.475 26.090 1.00 0.00 C ATOM 751 C SER A 51 23.946 1.489 26.077 1.00 0.00 C ATOM 752 O SER A 51 24.569 1.260 27.121 1.00 0.00 O ATOM 753 CB SER A 51 21.451 1.728 26.367 1.00 0.00 C ATOM 754 OG SER A 51 21.182 0.722 25.399 1.00 0.00 O ATOM 0 H SER A 51 21.841 3.047 24.290 1.00 0.00 H new ATOM 0 HA SER A 51 22.965 3.180 26.896 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.498 1.273 27.356 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.627 2.442 26.383 1.00 0.00 H new ATOM 0 HG SER A 51 21.643 0.941 24.563 1.00 0.00 H new ATOM 760 N THR A 52 24.298 0.950 24.902 1.00 0.00 N ATOM 761 CA THR A 52 25.499 0.113 24.697 1.00 0.00 C ATOM 762 C THR A 52 26.773 0.936 24.509 1.00 0.00 C ATOM 763 O THR A 52 27.857 0.439 24.801 1.00 0.00 O ATOM 764 CB THR A 52 25.329 -0.855 23.517 1.00 0.00 C ATOM 765 OG1 THR A 52 25.059 -0.156 22.325 1.00 0.00 O ATOM 766 CG2 THR A 52 24.210 -1.870 23.756 1.00 0.00 C ATOM 0 H THR A 52 23.751 1.082 24.051 1.00 0.00 H new ATOM 0 HA THR A 52 25.608 -0.465 25.614 1.00 0.00 H new ATOM 0 HB THR A 52 26.273 -1.393 23.426 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.135 0.169 22.339 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.129 -2.532 22.894 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.436 -2.458 24.645 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.266 -1.344 23.900 1.00 0.00 H new ATOM 774 N HIS A 53 26.637 2.184 24.053 1.00 0.00 N ATOM 775 CA HIS A 53 27.672 3.225 23.930 1.00 0.00 C ATOM 776 C HIS A 53 28.557 3.034 22.668 1.00 0.00 C ATOM 777 O HIS A 53 29.718 3.462 22.603 1.00 0.00 O ATOM 778 CB HIS A 53 28.465 3.372 25.250 1.00 0.00 C ATOM 779 CG HIS A 53 29.126 4.716 25.430 1.00 0.00 C ATOM 780 ND1 HIS A 53 30.375 5.086 24.978 1.00 0.00 N ATOM 781 CD2 HIS A 53 28.609 5.796 26.095 1.00 0.00 C ATOM 782 CE1 HIS A 53 30.607 6.351 25.366 1.00 0.00 C ATOM 783 NE2 HIS A 53 29.552 6.832 26.053 1.00 0.00 N ATOM 0 H HIS A 53 25.730 2.524 23.734 1.00 0.00 H new ATOM 0 HA HIS A 53 27.177 4.182 23.768 1.00 0.00 H new ATOM 0 HB2 HIS A 53 27.790 3.197 26.087 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.229 2.596 25.290 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.640 5.842 26.570 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.511 6.904 25.157 1.00 0.00 H new ATOM 0 HE2 HIS A 53 29.459 7.762 26.460 1.00 0.00 H new ATOM 791 N LYS A 54 28.016 2.357 21.650 1.00 0.00 N ATOM 792 CA LYS A 54 28.707 2.061 20.387 1.00 0.00 C ATOM 793 C LYS A 54 28.877 3.311 19.495 1.00 0.00 C ATOM 794 O LYS A 54 28.017 4.198 19.478 1.00 0.00 O ATOM 795 CB LYS A 54 27.924 0.958 19.650 1.00 0.00 C ATOM 796 CG LYS A 54 27.914 -0.367 20.428 1.00 0.00 C ATOM 797 CD LYS A 54 27.006 -1.403 19.753 1.00 0.00 C ATOM 798 CE LYS A 54 26.873 -2.610 20.683 1.00 0.00 C ATOM 799 NZ LYS A 54 25.960 -3.641 20.129 1.00 0.00 N ATOM 0 H LYS A 54 27.065 1.991 21.680 1.00 0.00 H new ATOM 0 HA LYS A 54 29.716 1.719 20.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.898 1.290 19.488 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.366 0.796 18.667 1.00 0.00 H new ATOM 0 HG2 LYS A 54 28.929 -0.759 20.496 1.00 0.00 H new ATOM 0 HG3 LYS A 54 27.572 -0.190 21.448 1.00 0.00 H new ATOM 0 HD2 LYS A 54 26.026 -0.972 19.549 1.00 0.00 H new ATOM 0 HD3 LYS A 54 27.426 -1.708 18.794 1.00 0.00 H new ATOM 0 HE2 LYS A 54 27.857 -3.049 20.850 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.502 -2.281 21.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.898 -4.441 20.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.014 -3.230 19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 26.327 -3.975 19.215 1.00 0.00 H new ATOM 813 N VAL A 55 29.966 3.354 18.723 1.00 0.00 N ATOM 814 CA VAL A 55 30.245 4.370 17.694 1.00 0.00 C ATOM 815 C VAL A 55 30.146 3.701 16.318 1.00 0.00 C ATOM 816 O VAL A 55 30.818 2.699 16.060 1.00 0.00 O ATOM 817 CB VAL A 55 31.633 5.031 17.881 1.00 0.00 C ATOM 818 CG1 VAL A 55 31.927 6.074 16.788 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.733 5.718 19.256 1.00 0.00 C ATOM 0 H VAL A 55 30.708 2.658 18.797 1.00 0.00 H new ATOM 0 HA VAL A 55 29.510 5.170 17.783 1.00 0.00 H new ATOM 0 HB VAL A 55 32.369 4.230 17.810 1.00 0.00 H new ATOM 0 HG11 VAL A 55 32.910 6.512 16.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 31.909 5.592 15.811 1.00 0.00 H new ATOM 0 HG13 VAL A 55 31.170 6.858 16.820 1.00 0.00 H new ATOM 0 HG21 VAL A 55 32.717 6.175 19.364 1.00 0.00 H new ATOM 0 HG22 VAL A 55 30.965 6.487 19.335 1.00 0.00 H new ATOM 0 HG23 VAL A 55 31.588 4.979 20.044 1.00 0.00 H new ATOM 829 N GLY A 56 29.284 4.247 15.451 1.00 0.00 N ATOM 830 CA GLY A 56 28.962 3.673 14.138 1.00 0.00 C ATOM 831 C GLY A 56 27.974 2.498 14.209 1.00 0.00 C ATOM 832 O GLY A 56 27.594 2.038 15.289 1.00 0.00 O ATOM 0 H GLY A 56 28.783 5.114 15.645 1.00 0.00 H new ATOM 0 HA2 GLY A 56 28.542 4.453 13.502 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.883 3.335 13.662 1.00 0.00 H new ATOM 836 N LEU A 57 27.559 2.028 13.026 1.00 0.00 N ATOM 837 CA LEU A 57 26.643 0.898 12.830 1.00 0.00 C ATOM 838 C LEU A 57 27.176 -0.037 11.728 1.00 0.00 C ATOM 839 O LEU A 57 27.960 0.369 10.864 1.00 0.00 O ATOM 840 CB LEU A 57 25.219 1.387 12.488 1.00 0.00 C ATOM 841 CG LEU A 57 24.481 2.120 13.635 1.00 0.00 C ATOM 842 CD1 LEU A 57 24.668 3.645 13.578 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.974 1.822 13.553 1.00 0.00 C ATOM 0 H LEU A 57 27.864 2.441 12.145 1.00 0.00 H new ATOM 0 HA LEU A 57 26.587 0.340 13.765 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.278 2.056 11.629 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.621 0.529 12.183 1.00 0.00 H new ATOM 0 HG LEU A 57 24.909 1.755 14.569 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.130 4.109 14.405 1.00 0.00 H new ATOM 0 HD12 LEU A 57 25.728 3.885 13.655 1.00 0.00 H new ATOM 0 HD13 LEU A 57 24.278 4.024 12.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.456 2.339 14.361 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.586 2.167 12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.810 0.748 13.645 1.00 0.00 H new ATOM 855 N THR A 58 26.705 -1.287 11.765 1.00 0.00 N ATOM 856 CA THR A 58 27.028 -2.422 10.882 1.00 0.00 C ATOM 857 C THR A 58 26.105 -3.583 11.246 1.00 0.00 C ATOM 858 O THR A 58 25.361 -3.496 12.226 1.00 0.00 O ATOM 859 CB THR A 58 28.529 -2.763 10.912 1.00 0.00 C ATOM 860 OG1 THR A 58 28.799 -3.773 9.960 1.00 0.00 O ATOM 861 CG2 THR A 58 29.022 -3.215 12.287 1.00 0.00 C ATOM 0 H THR A 58 26.026 -1.559 12.476 1.00 0.00 H new ATOM 0 HA THR A 58 26.844 -2.164 9.839 1.00 0.00 H new ATOM 0 HB THR A 58 29.066 -1.845 10.672 1.00 0.00 H new ATOM 0 HG1 THR A 58 29.754 -3.991 9.976 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.087 -3.439 12.236 1.00 0.00 H new ATOM 0 HG22 THR A 58 28.853 -2.420 13.014 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.478 -4.108 12.593 1.00 0.00 H new ATOM 869 N SER A 59 26.108 -4.658 10.464 1.00 0.00 N ATOM 870 CA SER A 59 25.099 -5.729 10.529 1.00 0.00 C ATOM 871 C SER A 59 24.923 -6.361 11.925 1.00 0.00 C ATOM 872 O SER A 59 23.810 -6.737 12.289 1.00 0.00 O ATOM 873 CB SER A 59 25.432 -6.810 9.489 1.00 0.00 C ATOM 874 OG SER A 59 26.742 -7.343 9.666 1.00 0.00 O ATOM 0 H SER A 59 26.821 -4.819 9.752 1.00 0.00 H new ATOM 0 HA SER A 59 24.141 -5.259 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.701 -7.616 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.346 -6.387 8.488 1.00 0.00 H new ATOM 0 HG SER A 59 26.911 -8.027 8.985 1.00 0.00 H new ATOM 880 N GLU A 60 25.984 -6.418 12.738 1.00 0.00 N ATOM 881 CA GLU A 60 25.945 -6.926 14.115 1.00 0.00 C ATOM 882 C GLU A 60 25.053 -6.083 15.046 1.00 0.00 C ATOM 883 O GLU A 60 24.429 -6.628 15.956 1.00 0.00 O ATOM 884 CB GLU A 60 27.373 -6.990 14.688 1.00 0.00 C ATOM 885 CG GLU A 60 28.270 -7.970 13.920 1.00 0.00 C ATOM 886 CD GLU A 60 29.656 -8.074 14.577 1.00 0.00 C ATOM 887 OE1 GLU A 60 30.553 -7.260 14.243 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.862 -8.969 15.431 1.00 0.00 O ATOM 0 H GLU A 60 26.912 -6.106 12.452 1.00 0.00 H new ATOM 0 HA GLU A 60 25.506 -7.923 14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.818 -5.995 14.658 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.328 -7.288 15.735 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.801 -8.954 13.893 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.377 -7.639 12.887 1.00 0.00 H new ATOM 895 N ILE A 61 24.940 -4.771 14.806 1.00 0.00 N ATOM 896 CA ILE A 61 24.063 -3.862 15.573 1.00 0.00 C ATOM 897 C ILE A 61 22.610 -4.118 15.168 1.00 0.00 C ATOM 898 O ILE A 61 21.763 -4.325 16.029 1.00 0.00 O ATOM 899 CB ILE A 61 24.479 -2.373 15.385 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.800 -1.997 16.100 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.401 -1.402 15.909 1.00 0.00 C ATOM 902 CD1 ILE A 61 27.064 -2.684 15.585 1.00 0.00 C ATOM 0 H ILE A 61 25.459 -4.300 14.065 1.00 0.00 H new ATOM 0 HA ILE A 61 24.168 -4.067 16.638 1.00 0.00 H new ATOM 0 HB ILE A 61 24.611 -2.275 14.307 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.939 -0.919 16.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.693 -2.226 17.160 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.732 -0.375 15.758 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.469 -1.566 15.367 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.238 -1.578 16.972 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.924 -2.343 16.161 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.961 -3.764 15.692 1.00 0.00 H new ATOM 0 HD13 ILE A 61 27.210 -2.436 14.534 1.00 0.00 H new ATOM 914 N LEU A 62 22.321 -4.149 13.863 1.00 0.00 N ATOM 915 CA LEU A 62 20.956 -4.317 13.349 1.00 0.00 C ATOM 916 C LEU A 62 20.394 -5.729 13.582 1.00 0.00 C ATOM 917 O LEU A 62 19.194 -5.874 13.818 1.00 0.00 O ATOM 918 CB LEU A 62 20.896 -3.905 11.870 1.00 0.00 C ATOM 919 CG LEU A 62 21.141 -2.414 11.535 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.381 -1.470 12.474 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.621 -2.014 11.523 1.00 0.00 C ATOM 0 H LEU A 62 23.027 -4.058 13.132 1.00 0.00 H new ATOM 0 HA LEU A 62 20.306 -3.654 13.920 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.631 -4.498 11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.915 -4.180 11.483 1.00 0.00 H new ATOM 0 HG LEU A 62 20.756 -2.307 10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.587 -0.436 12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.311 -1.661 12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.704 -1.641 13.501 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.710 -0.955 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 62 23.056 -2.199 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.151 -2.603 10.775 1.00 0.00 H new ATOM 933 N ASN A 63 21.238 -6.763 13.597 1.00 0.00 N ATOM 934 CA ASN A 63 20.852 -8.121 14.006 1.00 0.00 C ATOM 935 C ASN A 63 20.543 -8.210 15.515 1.00 0.00 C ATOM 936 O ASN A 63 19.668 -8.975 15.935 1.00 0.00 O ATOM 937 CB ASN A 63 21.964 -9.113 13.630 1.00 0.00 C ATOM 938 CG ASN A 63 22.124 -9.350 12.129 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.279 -9.009 11.306 1.00 0.00 O ATOM 940 ND2 ASN A 63 23.213 -9.987 11.727 1.00 0.00 N ATOM 0 H ASN A 63 22.218 -6.684 13.324 1.00 0.00 H new ATOM 0 HA ASN A 63 19.935 -8.378 13.475 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.910 -8.747 14.030 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.761 -10.067 14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.347 -10.193 10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.917 -10.272 12.407 1.00 0.00 H new ATOM 947 N SER A 64 21.218 -7.409 16.348 1.00 0.00 N ATOM 948 CA SER A 64 20.890 -7.289 17.776 1.00 0.00 C ATOM 949 C SER A 64 19.607 -6.474 18.003 1.00 0.00 C ATOM 950 O SER A 64 18.810 -6.808 18.880 1.00 0.00 O ATOM 951 CB SER A 64 22.056 -6.667 18.551 1.00 0.00 C ATOM 952 OG SER A 64 23.245 -7.442 18.458 1.00 0.00 O ATOM 0 H SER A 64 22.003 -6.828 16.054 1.00 0.00 H new ATOM 0 HA SER A 64 20.714 -8.297 18.151 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.249 -5.664 18.169 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.776 -6.561 19.599 1.00 0.00 H new ATOM 0 HG SER A 64 23.721 -7.213 17.632 1.00 0.00 H new ATOM 958 N PHE A 65 19.336 -5.448 17.180 1.00 0.00 N ATOM 959 CA PHE A 65 18.158 -4.583 17.297 1.00 0.00 C ATOM 960 C PHE A 65 16.820 -5.334 17.125 1.00 0.00 C ATOM 961 O PHE A 65 15.831 -4.990 17.780 1.00 0.00 O ATOM 962 CB PHE A 65 18.289 -3.425 16.302 1.00 0.00 C ATOM 963 CG PHE A 65 17.102 -2.478 16.342 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.876 -1.677 17.478 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.192 -2.443 15.269 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.744 -0.847 17.546 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.066 -1.609 15.333 1.00 0.00 C ATOM 968 CZ PHE A 65 14.838 -0.815 16.471 1.00 0.00 C ATOM 0 H PHE A 65 19.943 -5.194 16.401 1.00 0.00 H new ATOM 0 HA PHE A 65 18.131 -4.195 18.315 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.200 -2.867 16.518 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.393 -3.828 15.294 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.576 -1.701 18.300 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.360 -3.058 14.397 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.571 -0.237 18.420 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.372 -1.577 14.506 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.966 -0.180 16.519 1.00 0.00 H new ATOM 978 N GLU A 66 16.790 -6.402 16.312 1.00 0.00 N ATOM 979 CA GLU A 66 15.651 -7.327 16.226 1.00 0.00 C ATOM 980 C GLU A 66 15.330 -7.944 17.595 1.00 0.00 C ATOM 981 O GLU A 66 14.188 -7.916 18.050 1.00 0.00 O ATOM 982 CB GLU A 66 15.956 -8.462 15.231 1.00 0.00 C ATOM 983 CG GLU A 66 15.981 -7.977 13.780 1.00 0.00 C ATOM 984 CD GLU A 66 16.317 -9.135 12.831 1.00 0.00 C ATOM 985 OE1 GLU A 66 17.513 -9.471 12.681 1.00 0.00 O ATOM 986 OE2 GLU A 66 15.396 -9.706 12.207 1.00 0.00 O ATOM 0 H GLU A 66 17.561 -6.649 15.692 1.00 0.00 H new ATOM 0 HA GLU A 66 14.790 -6.753 15.884 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.919 -8.909 15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.205 -9.245 15.336 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.013 -7.552 13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.719 -7.182 13.669 1.00 0.00 H new ATOM 993 N HIS A 67 16.350 -8.462 18.280 1.00 0.00 N ATOM 994 CA HIS A 67 16.235 -9.093 19.599 1.00 0.00 C ATOM 995 C HIS A 67 16.003 -8.073 20.735 1.00 0.00 C ATOM 996 O HIS A 67 15.458 -8.428 21.780 1.00 0.00 O ATOM 997 CB HIS A 67 17.515 -9.906 19.846 1.00 0.00 C ATOM 998 CG HIS A 67 17.711 -11.045 18.869 1.00 0.00 C ATOM 999 ND1 HIS A 67 18.399 -11.002 17.673 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.192 -12.311 18.989 1.00 0.00 C ATOM 1001 CE1 HIS A 67 18.294 -12.209 17.091 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.567 -13.049 17.858 1.00 0.00 N ATOM 0 H HIS A 67 17.306 -8.455 17.925 1.00 0.00 H new ATOM 0 HA HIS A 67 15.358 -9.740 19.602 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.375 -9.239 19.790 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.489 -10.308 20.859 1.00 0.00 H new ATOM 0 HD1 HIS A 67 18.899 -10.196 17.297 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.597 -12.675 19.813 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.732 -12.471 16.139 1.00 0.00 H new ATOM 1010 N GLU A 68 16.397 -6.812 20.535 1.00 0.00 N ATOM 1011 CA GLU A 68 16.271 -5.711 21.497 1.00 0.00 C ATOM 1012 C GLU A 68 14.828 -5.182 21.633 1.00 0.00 C ATOM 1013 O GLU A 68 14.484 -4.630 22.683 1.00 0.00 O ATOM 1014 CB GLU A 68 17.227 -4.595 21.043 1.00 0.00 C ATOM 1015 CG GLU A 68 17.367 -3.395 21.984 1.00 0.00 C ATOM 1016 CD GLU A 68 17.805 -3.768 23.410 1.00 0.00 C ATOM 1017 OE1 GLU A 68 18.682 -4.644 23.587 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.280 -3.172 24.379 1.00 0.00 O ATOM 0 H GLU A 68 16.831 -6.517 19.661 1.00 0.00 H new ATOM 0 HA GLU A 68 16.533 -6.077 22.490 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.215 -5.031 20.895 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.891 -4.231 20.072 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.092 -2.698 21.563 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.412 -2.871 22.033 1.00 0.00 H new ATOM 1025 N PHE A 69 13.970 -5.341 20.611 1.00 0.00 N ATOM 1026 CA PHE A 69 12.659 -4.677 20.565 1.00 0.00 C ATOM 1027 C PHE A 69 11.595 -5.429 19.746 1.00 0.00 C ATOM 1028 O PHE A 69 10.490 -5.650 20.246 1.00 0.00 O ATOM 1029 CB PHE A 69 12.886 -3.240 20.050 1.00 0.00 C ATOM 1030 CG PHE A 69 11.642 -2.368 20.011 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.032 -1.976 21.214 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.120 -1.912 18.784 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.899 -1.147 21.194 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.984 -1.080 18.761 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.374 -0.700 19.968 1.00 0.00 C ATOM 0 H PHE A 69 14.165 -5.929 19.800 1.00 0.00 H new ATOM 0 HA PHE A 69 12.240 -4.666 21.571 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.631 -2.757 20.683 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.307 -3.292 19.046 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.436 -2.313 22.157 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.593 -2.202 17.857 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.430 -0.852 22.121 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.583 -0.735 17.819 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.501 -0.064 19.955 1.00 0.00 H new ATOM 1045 N LEU A 70 11.898 -5.825 18.502 1.00 0.00 N ATOM 1046 CA LEU A 70 10.896 -6.366 17.574 1.00 0.00 C ATOM 1047 C LEU A 70 10.489 -7.802 17.936 1.00 0.00 C ATOM 1048 O LEU A 70 9.301 -8.108 17.967 1.00 0.00 O ATOM 1049 CB LEU A 70 11.395 -6.276 16.118 1.00 0.00 C ATOM 1050 CG LEU A 70 11.514 -4.874 15.472 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.254 -4.030 15.715 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.779 -4.133 15.923 1.00 0.00 C ATOM 0 H LEU A 70 12.840 -5.780 18.112 1.00 0.00 H new ATOM 0 HA LEU A 70 10.001 -5.752 17.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.376 -6.748 16.072 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.725 -6.872 15.499 1.00 0.00 H new ATOM 0 HG LEU A 70 11.604 -5.031 14.397 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.375 -3.053 15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.389 -4.535 15.284 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.103 -3.903 16.787 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.818 -3.155 15.443 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.760 -4.006 17.005 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.659 -4.711 15.641 1.00 0.00 H new ATOM 1064 N SER A 71 11.449 -8.668 18.255 1.00 0.00 N ATOM 1065 CA SER A 71 11.178 -10.068 18.617 1.00 0.00 C ATOM 1066 C SER A 71 10.539 -10.228 20.010 1.00 0.00 C ATOM 1067 O SER A 71 9.673 -11.090 20.189 1.00 0.00 O ATOM 1068 CB SER A 71 12.482 -10.888 18.572 1.00 0.00 C ATOM 1069 OG SER A 71 13.014 -10.952 17.257 1.00 0.00 O ATOM 0 H SER A 71 12.439 -8.424 18.271 1.00 0.00 H new ATOM 0 HA SER A 71 10.460 -10.436 17.884 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.217 -10.441 19.241 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.291 -11.897 18.937 1.00 0.00 H new ATOM 0 HG SER A 71 12.361 -10.591 16.622 1.00 0.00 H new ATOM 1075 N LYS A 72 10.964 -9.432 21.009 1.00 0.00 N ATOM 1076 CA LYS A 72 10.584 -9.649 22.420 1.00 0.00 C ATOM 1077 C LYS A 72 9.429 -8.779 22.958 1.00 0.00 C ATOM 1078 O LYS A 72 8.975 -9.021 24.085 1.00 0.00 O ATOM 1079 CB LYS A 72 11.837 -9.613 23.315 1.00 0.00 C ATOM 1080 CG LYS A 72 12.481 -8.238 23.531 1.00 0.00 C ATOM 1081 CD LYS A 72 13.625 -8.380 24.550 1.00 0.00 C ATOM 1082 CE LYS A 72 14.481 -7.117 24.707 1.00 0.00 C ATOM 1083 NZ LYS A 72 13.723 -5.972 25.274 1.00 0.00 N ATOM 0 H LYS A 72 11.574 -8.628 20.865 1.00 0.00 H new ATOM 0 HA LYS A 72 10.146 -10.647 22.454 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.573 -10.023 24.290 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.585 -10.277 22.882 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.862 -7.848 22.587 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.739 -7.527 23.894 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.203 -8.643 25.520 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.268 -9.207 24.247 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.331 -7.338 25.352 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.884 -6.834 23.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.746 -5.176 24.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.737 -6.257 25.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.155 -5.681 26.174 1.00 0.00 H new ATOM 1097 N ARG A 73 8.927 -7.802 22.178 1.00 0.00 N ATOM 1098 CA ARG A 73 7.745 -7.001 22.567 1.00 0.00 C ATOM 1099 C ARG A 73 6.892 -6.445 21.422 1.00 0.00 C ATOM 1100 O ARG A 73 5.672 -6.434 21.589 1.00 0.00 O ATOM 1101 CB ARG A 73 8.111 -5.899 23.586 1.00 0.00 C ATOM 1102 CG ARG A 73 9.202 -4.912 23.129 1.00 0.00 C ATOM 1103 CD ARG A 73 9.329 -3.745 24.114 1.00 0.00 C ATOM 1104 NE ARG A 73 8.250 -2.758 23.918 1.00 0.00 N ATOM 1105 CZ ARG A 73 7.831 -1.836 24.773 1.00 0.00 C ATOM 1106 NH1 ARG A 73 8.316 -1.715 25.989 1.00 0.00 N ATOM 1107 NH2 ARG A 73 6.895 -0.999 24.376 1.00 0.00 N ATOM 0 H ARG A 73 9.321 -7.546 21.273 1.00 0.00 H new ATOM 0 HA ARG A 73 7.092 -7.731 23.045 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.210 -5.334 23.823 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.440 -6.376 24.509 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.157 -5.431 23.048 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.961 -4.531 22.136 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.297 -4.124 25.136 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.296 -3.260 23.984 1.00 0.00 H new ATOM 0 HE ARG A 73 7.770 -2.789 23.019 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.048 -2.348 26.311 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.960 -0.988 26.610 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.513 -1.071 23.433 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.552 -0.279 25.011 1.00 0.00 H new ATOM 1121 N LEU A 74 7.482 -5.975 20.308 1.00 0.00 N ATOM 1122 CA LEU A 74 6.822 -5.454 19.084 1.00 0.00 C ATOM 1123 C LEU A 74 6.065 -4.119 19.281 1.00 0.00 C ATOM 1124 O LEU A 74 6.204 -3.209 18.465 1.00 0.00 O ATOM 1125 CB LEU A 74 5.930 -6.565 18.470 1.00 0.00 C ATOM 1126 CG LEU A 74 5.184 -6.198 17.172 1.00 0.00 C ATOM 1127 CD1 LEU A 74 6.131 -5.684 16.074 1.00 0.00 C ATOM 1128 CD2 LEU A 74 4.439 -7.435 16.645 1.00 0.00 C ATOM 0 H LEU A 74 8.498 -5.944 20.228 1.00 0.00 H new ATOM 0 HA LEU A 74 7.610 -5.194 18.377 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.555 -7.436 18.272 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.194 -6.864 19.216 1.00 0.00 H new ATOM 0 HG LEU A 74 4.488 -5.395 17.415 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.555 -5.440 15.182 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.648 -4.792 16.428 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.862 -6.456 15.834 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.911 -7.178 15.727 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.155 -8.231 16.441 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.723 -7.774 17.393 1.00 0.00 H new ATOM 1140 N SER A 75 5.277 -3.999 20.351 1.00 0.00 N ATOM 1141 CA SER A 75 4.574 -2.792 20.850 1.00 0.00 C ATOM 1142 C SER A 75 3.222 -2.508 20.150 1.00 0.00 C ATOM 1143 O SER A 75 2.579 -1.490 20.417 1.00 0.00 O ATOM 1144 CB SER A 75 5.458 -1.536 20.866 1.00 0.00 C ATOM 1145 OG SER A 75 6.688 -1.791 21.538 1.00 0.00 O ATOM 0 H SER A 75 5.092 -4.805 20.948 1.00 0.00 H new ATOM 0 HA SER A 75 4.339 -3.041 21.885 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.657 -1.213 19.844 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.930 -0.721 21.361 1.00 0.00 H new ATOM 0 HG SER A 75 7.431 -1.438 21.005 1.00 0.00 H new ATOM 1151 N LYS A 76 2.771 -3.419 19.277 1.00 0.00 N ATOM 1152 CA LYS A 76 1.416 -3.427 18.702 1.00 0.00 C ATOM 1153 C LYS A 76 0.418 -4.192 19.607 1.00 0.00 C ATOM 1154 O LYS A 76 0.664 -4.410 20.799 1.00 0.00 O ATOM 1155 CB LYS A 76 1.489 -3.984 17.258 1.00 0.00 C ATOM 1156 CG LYS A 76 2.385 -3.137 16.333 1.00 0.00 C ATOM 1157 CD LYS A 76 2.115 -3.415 14.847 1.00 0.00 C ATOM 1158 CE LYS A 76 2.455 -4.861 14.458 1.00 0.00 C ATOM 1159 NZ LYS A 76 1.956 -5.182 13.097 1.00 0.00 N ATOM 0 H LYS A 76 3.350 -4.189 18.942 1.00 0.00 H new ATOM 0 HA LYS A 76 1.028 -2.410 18.651 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.868 -5.006 17.287 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.483 -4.029 16.840 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.219 -2.080 16.539 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.432 -3.344 16.555 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.066 -3.218 14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.703 -2.729 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.535 -5.006 14.496 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.015 -5.548 15.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.315 -6.114 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.916 -5.198 13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.287 -4.459 12.426 1.00 0.00 H new ATOM 1173 N ALA A 77 -0.717 -4.620 19.043 1.00 0.00 N ATOM 1174 CA ALA A 77 -1.773 -5.371 19.733 1.00 0.00 C ATOM 1175 C ALA A 77 -1.411 -6.833 20.077 1.00 0.00 C ATOM 1176 O ALA A 77 -2.138 -7.483 20.832 1.00 0.00 O ATOM 1177 CB ALA A 77 -3.014 -5.311 18.830 1.00 0.00 C ATOM 0 H ALA A 77 -0.933 -4.448 18.061 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.943 -4.910 20.706 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.832 -5.857 19.299 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.308 -4.272 18.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.784 -5.762 17.865 1.00 0.00 H new ATOM 1183 N ARG A 78 -0.326 -7.381 19.506 1.00 0.00 N ATOM 1184 CA ARG A 78 0.233 -8.709 19.819 1.00 0.00 C ATOM 1185 C ARG A 78 1.479 -8.570 20.703 1.00 0.00 C ATOM 1186 O ARG A 78 2.395 -7.808 20.329 1.00 0.00 O ATOM 1187 CB ARG A 78 0.572 -9.467 18.513 1.00 0.00 C ATOM 1188 CG ARG A 78 -0.502 -10.452 18.009 1.00 0.00 C ATOM 1189 CD ARG A 78 -1.817 -9.836 17.508 1.00 0.00 C ATOM 1190 NE ARG A 78 -2.671 -9.369 18.618 1.00 0.00 N ATOM 1191 CZ ARG A 78 -3.986 -9.372 18.698 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -4.753 -9.866 17.768 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -4.554 -8.858 19.752 1.00 0.00 N ATOM 1194 OXT ARG A 78 1.519 -9.235 21.764 1.00 0.00 O ATOM 0 H ARG A 78 0.207 -6.894 18.786 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.513 -9.283 20.368 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.762 -8.734 17.729 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.500 -10.018 18.666 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.071 -11.041 17.199 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.736 -11.144 18.818 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.595 -8.999 16.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.361 -10.574 16.919 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.178 -8.995 19.429 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.340 -10.275 16.930 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.767 -9.844 17.878 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.982 -8.462 20.498 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.571 -8.851 19.831 1.00 0.00 H new TER 1208 ARG A 78