USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 624 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 67 GLN : amide:sc= 1.16 K(o=1.2,f=-2.3) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -131:sc= 0.0496 (180deg=-0.0567) USER MOD Set 2.1: A -2 SER N :NH3+ 172:sc= 3.75 (180deg=2.29) USER MOD Set 2.2: A 75 GLN : amide:sc= 2.67 K(o=6.4,f=-8.2!) USER MOD Single : A 0 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.1!) USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= 0.711 (180deg=0.407) USER MOD Single : A 2 SER OG : rot 77:sc= 1.63 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0.898 (180deg=0.877) USER MOD Single : A 8 SER OG : rot 71:sc= 1.19 USER MOD Single : A -2 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc=-0.000879 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0186) USER MOD Single : A 21 ASN : amide:sc= -0.093 K(o=-0.093,f=-0.97) USER MOD Single : A 22 GLN : amide:sc= 2.12 K(o=2.1,f=-3.7!) USER MOD Single : A 24 SER OG : rot -69:sc= 1.17 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0.536 (180deg=0.536) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc=-0.00263 (180deg=-0.0902) USER MOD Single : A 30 GLN : amide:sc= 0.123 X(o=0.12,f=-0.27) USER MOD Single : A 33 GLN : amide:sc= -0.0162 K(o=-0.016,f=-2.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.116 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.596 (180deg=-1.06) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.772 K(o=0.77,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 2.83 K(o=2.8,f=-6.7!) USER MOD Single : A 62 SER OG : rot 152:sc= 1.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -63:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -2 0.503 11.262 0.652 1.00 0.00 N ATOM 2 CA SER A -2 -0.059 11.897 -0.546 1.00 0.00 C ATOM 3 C SER A -2 -1.051 12.974 -0.126 1.00 0.00 C ATOM 4 O SER A -2 -1.951 12.665 0.650 1.00 0.00 O ATOM 5 CB SER A -2 -0.706 10.821 -1.415 1.00 0.00 C ATOM 6 OG SER A -2 0.219 9.751 -1.478 1.00 0.00 O ATOM 0 H1 SER A -2 1.075 10.439 0.373 1.00 0.00 H new ATOM 0 H2 SER A -2 1.102 11.945 1.158 1.00 0.00 H new ATOM 0 H3 SER A -2 -0.270 10.951 1.275 1.00 0.00 H new ATOM 0 HA SER A -2 0.720 12.381 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A -2 -1.652 10.492 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.924 11.205 -2.411 1.00 0.00 H new ATOM 0 HG SER A -2 -0.153 9.029 -2.027 1.00 0.00 H new ATOM 14 N ALA A -1 -0.875 14.214 -0.597 1.00 0.00 N ATOM 15 CA ALA A -1 -1.681 15.389 -0.261 1.00 0.00 C ATOM 16 C ALA A -1 -1.314 15.774 1.170 1.00 0.00 C ATOM 17 O ALA A -1 -0.662 16.791 1.403 1.00 0.00 O ATOM 18 CB ALA A -1 -3.184 15.176 -0.491 1.00 0.00 C ATOM 0 H ALA A -1 -0.128 14.434 -1.256 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.455 16.218 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.725 16.083 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -3.362 14.944 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -3.533 14.349 0.128 1.00 0.00 H new ATOM 24 N GLN A 0 -1.680 14.921 2.128 1.00 0.00 N ATOM 25 CA GLN A 0 -1.279 15.060 3.512 1.00 0.00 C ATOM 26 C GLN A 0 0.154 14.529 3.479 1.00 0.00 C ATOM 27 O GLN A 0 0.379 13.348 3.730 1.00 0.00 O ATOM 28 CB GLN A 0 -2.223 14.243 4.411 1.00 0.00 C ATOM 29 CG GLN A 0 -1.810 14.273 5.889 1.00 0.00 C ATOM 30 CD GLN A 0 -1.716 15.697 6.429 1.00 0.00 C ATOM 31 OE1 GLN A 0 -0.624 16.218 6.628 1.00 0.00 O ATOM 32 NE2 GLN A 0 -2.853 16.342 6.659 1.00 0.00 N ATOM 0 H GLN A 0 -2.270 14.108 1.953 1.00 0.00 H new ATOM 0 HA GLN A 0 -1.328 16.070 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 0 -3.237 14.632 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 0 -2.243 13.210 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 0 -2.533 13.709 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 0 -0.847 13.777 6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 0 -3.746 15.881 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 0 -2.834 17.299 7.011 1.00 0.00 H new ATOM 41 N LYS A 1 1.091 15.406 3.108 1.00 0.00 N ATOM 42 CA LYS A 1 2.505 15.173 2.893 1.00 0.00 C ATOM 43 C LYS A 1 2.709 14.293 1.653 1.00 0.00 C ATOM 44 O LYS A 1 2.143 13.203 1.524 1.00 0.00 O ATOM 45 CB LYS A 1 3.208 14.612 4.132 1.00 0.00 C ATOM 46 CG LYS A 1 3.669 15.665 5.151 1.00 0.00 C ATOM 47 CD LYS A 1 2.497 16.281 5.925 1.00 0.00 C ATOM 48 CE LYS A 1 2.969 17.306 6.964 1.00 0.00 C ATOM 49 NZ LYS A 1 3.828 16.703 8.000 1.00 0.00 N ATOM 0 H LYS A 1 0.848 16.382 2.938 1.00 0.00 H new ATOM 0 HA LYS A 1 2.979 16.137 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.532 13.917 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.076 14.037 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.364 15.206 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.214 16.454 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.814 16.762 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 1 1.937 15.490 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.516 18.103 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.101 17.765 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 3.858 17.326 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.443 15.777 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.790 16.580 7.625 1.00 0.00 H new ATOM 63 N SER A 2 3.538 14.779 0.731 1.00 0.00 N ATOM 64 CA SER A 2 3.896 14.123 -0.517 1.00 0.00 C ATOM 65 C SER A 2 5.382 14.406 -0.765 1.00 0.00 C ATOM 66 O SER A 2 5.932 15.313 -0.128 1.00 0.00 O ATOM 67 CB SER A 2 2.984 14.566 -1.675 1.00 0.00 C ATOM 68 OG SER A 2 1.705 14.949 -1.210 1.00 0.00 O ATOM 0 H SER A 2 3.997 15.683 0.843 1.00 0.00 H new ATOM 0 HA SER A 2 3.743 13.046 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.445 15.400 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.883 13.751 -2.392 1.00 0.00 H new ATOM 0 HG SER A 2 1.757 15.841 -0.807 1.00 0.00 H new ATOM 74 N PRO A 3 6.039 13.646 -1.658 1.00 0.00 N ATOM 75 CA PRO A 3 7.456 13.775 -1.945 1.00 0.00 C ATOM 76 C PRO A 3 7.957 15.213 -2.064 1.00 0.00 C ATOM 77 O PRO A 3 8.881 15.581 -1.352 1.00 0.00 O ATOM 78 CB PRO A 3 7.700 12.957 -3.216 1.00 0.00 C ATOM 79 CG PRO A 3 6.677 11.835 -3.066 1.00 0.00 C ATOM 80 CD PRO A 3 5.479 12.557 -2.448 1.00 0.00 C ATOM 0 HA PRO A 3 8.036 13.398 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.533 13.545 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.720 12.576 -3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.427 11.383 -4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.044 11.035 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.810 12.937 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.894 11.881 -1.824 1.00 0.00 H new ATOM 88 N ALA A 4 7.368 16.025 -2.948 1.00 0.00 N ATOM 89 CA ALA A 4 7.816 17.398 -3.167 1.00 0.00 C ATOM 90 C ALA A 4 7.936 18.224 -1.892 1.00 0.00 C ATOM 91 O ALA A 4 8.937 18.897 -1.649 1.00 0.00 O ATOM 92 CB ALA A 4 6.941 18.085 -4.219 1.00 0.00 C ATOM 0 H ALA A 4 6.574 15.749 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 4 8.835 17.333 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.288 19.107 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.005 17.537 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.906 18.100 -3.878 1.00 0.00 H new ATOM 98 N GLU A 5 6.898 18.162 -1.076 1.00 0.00 N ATOM 99 CA GLU A 5 6.831 18.877 0.190 1.00 0.00 C ATOM 100 C GLU A 5 7.977 18.407 1.084 1.00 0.00 C ATOM 101 O GLU A 5 8.764 19.211 1.586 1.00 0.00 O ATOM 102 CB GLU A 5 5.479 18.673 0.893 1.00 0.00 C ATOM 103 CG GLU A 5 4.271 19.095 0.043 1.00 0.00 C ATOM 104 CD GLU A 5 3.712 17.935 -0.775 1.00 0.00 C ATOM 105 OE1 GLU A 5 4.326 17.622 -1.818 1.00 0.00 O ATOM 106 OE2 GLU A 5 2.703 17.351 -0.322 1.00 0.00 O ATOM 0 H GLU A 5 6.066 17.607 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 5 6.926 19.945 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.374 17.622 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.474 19.241 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.490 19.489 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.564 19.903 -0.628 1.00 0.00 H new ATOM 113 N LEU A 6 8.071 17.089 1.272 1.00 0.00 N ATOM 114 CA LEU A 6 9.099 16.489 2.111 1.00 0.00 C ATOM 115 C LEU A 6 10.501 16.836 1.617 1.00 0.00 C ATOM 116 O LEU A 6 11.412 17.107 2.397 1.00 0.00 O ATOM 117 CB LEU A 6 8.848 14.981 2.243 1.00 0.00 C ATOM 118 CG LEU A 6 7.525 14.681 2.977 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.089 13.237 2.721 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.655 14.897 4.491 1.00 0.00 C ATOM 0 H LEU A 6 7.437 16.413 0.846 1.00 0.00 H new ATOM 0 HA LEU A 6 9.039 16.912 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.824 14.529 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.675 14.521 2.783 1.00 0.00 H new ATOM 0 HG LEU A 6 6.778 15.372 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.154 13.041 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.944 13.085 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.858 12.555 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.703 14.676 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.425 14.236 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.929 15.933 4.688 1.00 0.00 H new ATOM 132 N LYS A 7 10.646 16.847 0.301 1.00 0.00 N ATOM 133 CA LYS A 7 11.872 17.183 -0.404 1.00 0.00 C ATOM 134 C LYS A 7 12.219 18.644 -0.119 1.00 0.00 C ATOM 135 O LYS A 7 13.366 18.955 0.183 1.00 0.00 O ATOM 136 CB LYS A 7 11.727 16.890 -1.905 1.00 0.00 C ATOM 137 CG LYS A 7 13.082 16.918 -2.625 1.00 0.00 C ATOM 138 CD LYS A 7 12.953 16.282 -4.016 1.00 0.00 C ATOM 139 CE LYS A 7 14.314 16.139 -4.707 1.00 0.00 C ATOM 140 NZ LYS A 7 14.875 17.444 -5.098 1.00 0.00 N ATOM 0 H LYS A 7 9.880 16.612 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 7 12.696 16.564 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.263 15.913 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.061 17.625 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.432 17.946 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.826 16.379 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.487 15.301 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.294 16.892 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.009 15.632 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.207 15.511 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.824 17.307 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.259 17.888 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.938 18.059 -4.262 1.00 0.00 H new ATOM 154 N SER A 8 11.235 19.543 -0.194 1.00 0.00 N ATOM 155 CA SER A 8 11.438 20.957 0.091 1.00 0.00 C ATOM 156 C SER A 8 11.900 21.135 1.542 1.00 0.00 C ATOM 157 O SER A 8 12.899 21.805 1.800 1.00 0.00 O ATOM 158 CB SER A 8 10.153 21.744 -0.190 1.00 0.00 C ATOM 159 OG SER A 8 9.740 21.548 -1.528 1.00 0.00 O ATOM 0 H SER A 8 10.277 19.307 -0.454 1.00 0.00 H new ATOM 0 HA SER A 8 12.217 21.350 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.365 21.423 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.321 22.805 -0.006 1.00 0.00 H new ATOM 0 HG SER A 8 9.411 20.631 -1.638 1.00 0.00 H new ATOM 165 N ILE A 9 11.178 20.522 2.487 1.00 0.00 N ATOM 166 CA ILE A 9 11.506 20.580 3.911 1.00 0.00 C ATOM 167 C ILE A 9 12.947 20.089 4.109 1.00 0.00 C ATOM 168 O ILE A 9 13.763 20.740 4.758 1.00 0.00 O ATOM 169 CB ILE A 9 10.472 19.758 4.709 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.097 20.453 4.656 1.00 0.00 C ATOM 171 CG2 ILE A 9 10.909 19.595 6.170 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.947 19.536 5.087 1.00 0.00 C ATOM 0 H ILE A 9 10.346 19.969 2.281 1.00 0.00 H new ATOM 0 HA ILE A 9 11.455 21.602 4.286 1.00 0.00 H new ATOM 0 HB ILE A 9 10.401 18.769 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.115 21.332 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.913 20.806 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.163 19.012 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.869 19.080 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.006 20.577 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.005 20.082 5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.906 18.669 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.111 19.204 6.112 1.00 0.00 H new ATOM 184 N PHE A 10 13.253 18.929 3.527 1.00 0.00 N ATOM 185 CA PHE A 10 14.573 18.324 3.561 1.00 0.00 C ATOM 186 C PHE A 10 15.626 19.320 3.058 1.00 0.00 C ATOM 187 O PHE A 10 16.589 19.616 3.766 1.00 0.00 O ATOM 188 CB PHE A 10 14.520 17.042 2.723 1.00 0.00 C ATOM 189 CG PHE A 10 15.852 16.437 2.348 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.498 16.840 1.166 1.00 0.00 C ATOM 191 CD2 PHE A 10 16.392 15.399 3.120 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.703 16.233 0.783 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.574 14.761 2.716 1.00 0.00 C ATOM 194 CZ PHE A 10 18.226 15.181 1.550 1.00 0.00 C ATOM 0 H PHE A 10 12.570 18.376 3.009 1.00 0.00 H new ATOM 0 HA PHE A 10 14.864 18.064 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.947 16.296 3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.969 17.254 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.066 17.617 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.897 15.090 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.226 16.574 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.980 13.949 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.137 14.692 1.239 1.00 0.00 H new ATOM 204 N GLU A 11 15.436 19.846 1.842 1.00 0.00 N ATOM 205 CA GLU A 11 16.340 20.801 1.218 1.00 0.00 C ATOM 206 C GLU A 11 16.569 22.005 2.125 1.00 0.00 C ATOM 207 O GLU A 11 17.710 22.427 2.291 1.00 0.00 O ATOM 208 CB GLU A 11 15.804 21.259 -0.144 1.00 0.00 C ATOM 209 CG GLU A 11 16.026 20.201 -1.233 1.00 0.00 C ATOM 210 CD GLU A 11 15.437 20.616 -2.579 1.00 0.00 C ATOM 211 OE1 GLU A 11 15.189 21.829 -2.757 1.00 0.00 O ATOM 212 OE2 GLU A 11 15.248 19.705 -3.412 1.00 0.00 O ATOM 0 H GLU A 11 14.633 19.611 1.259 1.00 0.00 H new ATOM 0 HA GLU A 11 17.294 20.298 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.739 21.476 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.296 22.187 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.095 20.021 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.576 19.260 -0.918 1.00 0.00 H new ATOM 219 N LYS A 12 15.499 22.558 2.704 1.00 0.00 N ATOM 220 CA LYS A 12 15.595 23.713 3.586 1.00 0.00 C ATOM 221 C LYS A 12 16.643 23.483 4.679 1.00 0.00 C ATOM 222 O LYS A 12 17.439 24.377 4.958 1.00 0.00 O ATOM 223 CB LYS A 12 14.212 24.058 4.159 1.00 0.00 C ATOM 224 CG LYS A 12 14.198 25.287 5.081 1.00 0.00 C ATOM 225 CD LYS A 12 14.726 26.550 4.390 1.00 0.00 C ATOM 226 CE LYS A 12 14.503 27.778 5.279 1.00 0.00 C ATOM 227 NZ LYS A 12 15.039 28.997 4.651 1.00 0.00 N ATOM 0 H LYS A 12 14.547 22.215 2.572 1.00 0.00 H new ATOM 0 HA LYS A 12 15.933 24.574 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.522 24.230 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.837 23.198 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.180 25.465 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.803 25.081 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.789 26.437 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.220 26.688 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.437 27.903 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.983 27.622 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.873 29.811 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.061 28.885 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.562 29.157 3.741 1.00 0.00 H new ATOM 241 N TYR A 13 16.656 22.297 5.295 1.00 0.00 N ATOM 242 CA TYR A 13 17.630 22.001 6.340 1.00 0.00 C ATOM 243 C TYR A 13 18.980 21.660 5.713 1.00 0.00 C ATOM 244 O TYR A 13 19.993 22.247 6.085 1.00 0.00 O ATOM 245 CB TYR A 13 17.158 20.859 7.246 1.00 0.00 C ATOM 246 CG TYR A 13 15.770 20.978 7.839 1.00 0.00 C ATOM 247 CD1 TYR A 13 15.107 22.219 7.936 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.100 19.805 8.225 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.762 22.269 8.337 1.00 0.00 C ATOM 250 CE2 TYR A 13 13.724 19.848 8.472 1.00 0.00 C ATOM 251 CZ TYR A 13 13.064 21.080 8.594 1.00 0.00 C ATOM 252 OH TYR A 13 11.767 21.130 9.011 1.00 0.00 O ATOM 0 H TYR A 13 16.009 21.536 5.088 1.00 0.00 H new ATOM 0 HA TYR A 13 17.736 22.890 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 13 17.203 19.932 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.869 20.762 8.066 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.634 23.132 7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.643 18.877 8.330 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.266 23.222 8.447 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.167 18.928 8.569 1.00 0.00 H new ATOM 0 HH TYR A 13 11.430 20.219 9.143 1.00 0.00 H new ATOM 262 N ALA A 14 18.999 20.719 4.763 1.00 0.00 N ATOM 263 CA ALA A 14 20.214 20.275 4.087 1.00 0.00 C ATOM 264 C ALA A 14 21.058 21.472 3.631 1.00 0.00 C ATOM 265 O ALA A 14 22.267 21.516 3.850 1.00 0.00 O ATOM 266 CB ALA A 14 19.849 19.334 2.927 1.00 0.00 C ATOM 0 H ALA A 14 18.158 20.241 4.441 1.00 0.00 H new ATOM 0 HA ALA A 14 20.832 19.713 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.759 19.005 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.315 18.467 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.213 19.862 2.216 1.00 0.00 H new ATOM 272 N ALA A 15 20.415 22.468 3.017 1.00 0.00 N ATOM 273 CA ALA A 15 21.063 23.685 2.547 1.00 0.00 C ATOM 274 C ALA A 15 21.910 24.352 3.634 1.00 0.00 C ATOM 275 O ALA A 15 22.976 24.883 3.331 1.00 0.00 O ATOM 276 CB ALA A 15 20.003 24.657 2.021 1.00 0.00 C ATOM 0 H ALA A 15 19.412 22.447 2.831 1.00 0.00 H new ATOM 0 HA ALA A 15 21.745 23.411 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.487 25.568 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.461 24.193 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.306 24.903 2.822 1.00 0.00 H new ATOM 282 N LYS A 16 21.466 24.319 4.896 1.00 0.00 N ATOM 283 CA LYS A 16 22.190 24.938 6.003 1.00 0.00 C ATOM 284 C LYS A 16 23.583 24.319 6.162 1.00 0.00 C ATOM 285 O LYS A 16 24.499 24.979 6.647 1.00 0.00 O ATOM 286 CB LYS A 16 21.391 24.823 7.309 1.00 0.00 C ATOM 287 CG LYS A 16 19.997 25.459 7.198 1.00 0.00 C ATOM 288 CD LYS A 16 19.219 25.258 8.506 1.00 0.00 C ATOM 289 CE LYS A 16 17.773 25.754 8.391 1.00 0.00 C ATOM 290 NZ LYS A 16 17.705 27.209 8.173 1.00 0.00 N ATOM 0 H LYS A 16 20.597 23.863 5.174 1.00 0.00 H new ATOM 0 HA LYS A 16 22.316 25.996 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.288 23.772 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.945 25.305 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.091 26.523 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.450 25.012 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.220 24.201 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.722 25.790 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.278 25.240 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.228 25.498 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.710 27.511 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.199 27.699 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.158 27.446 7.267 1.00 0.00 H new ATOM 304 N GLU A 17 23.750 23.060 5.748 1.00 0.00 N ATOM 305 CA GLU A 17 25.021 22.355 5.825 1.00 0.00 C ATOM 306 C GLU A 17 25.949 22.767 4.677 1.00 0.00 C ATOM 307 O GLU A 17 27.133 22.443 4.700 1.00 0.00 O ATOM 308 CB GLU A 17 24.765 20.846 5.773 1.00 0.00 C ATOM 309 CG GLU A 17 23.802 20.386 6.877 1.00 0.00 C ATOM 310 CD GLU A 17 23.539 18.884 6.853 1.00 0.00 C ATOM 311 OE1 GLU A 17 24.084 18.197 5.961 1.00 0.00 O ATOM 312 OE2 GLU A 17 22.773 18.449 7.739 1.00 0.00 O ATOM 0 H GLU A 17 22.997 22.501 5.347 1.00 0.00 H new ATOM 0 HA GLU A 17 25.509 22.616 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.352 20.582 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.711 20.314 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.214 20.661 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.856 20.916 6.770 1.00 0.00 H new ATOM 319 N GLY A 18 25.420 23.460 3.663 1.00 0.00 N ATOM 320 CA GLY A 18 26.163 23.896 2.488 1.00 0.00 C ATOM 321 C GLY A 18 25.840 22.994 1.298 1.00 0.00 C ATOM 322 O GLY A 18 25.771 23.462 0.165 1.00 0.00 O ATOM 0 H GLY A 18 24.439 23.737 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.909 24.929 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.233 23.870 2.694 1.00 0.00 H new ATOM 326 N ASP A 19 25.639 21.701 1.562 1.00 0.00 N ATOM 327 CA ASP A 19 25.306 20.668 0.591 1.00 0.00 C ATOM 328 C ASP A 19 23.797 20.371 0.659 1.00 0.00 C ATOM 329 O ASP A 19 23.373 19.588 1.507 1.00 0.00 O ATOM 330 CB ASP A 19 26.171 19.422 0.871 1.00 0.00 C ATOM 331 CG ASP A 19 26.001 18.832 2.274 1.00 0.00 C ATOM 332 OD1 ASP A 19 26.181 19.605 3.240 1.00 0.00 O ATOM 333 OD2 ASP A 19 25.730 17.614 2.361 1.00 0.00 O ATOM 0 H ASP A 19 25.709 21.332 2.510 1.00 0.00 H new ATOM 0 HA ASP A 19 25.523 21.000 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.928 18.654 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.219 19.683 0.725 1.00 0.00 H new ATOM 338 N PRO A 20 22.953 20.968 -0.204 1.00 0.00 N ATOM 339 CA PRO A 20 21.506 20.775 -0.170 1.00 0.00 C ATOM 340 C PRO A 20 21.086 19.410 -0.736 1.00 0.00 C ATOM 341 O PRO A 20 20.238 19.340 -1.623 1.00 0.00 O ATOM 342 CB PRO A 20 20.939 21.944 -0.985 1.00 0.00 C ATOM 343 CG PRO A 20 22.013 22.145 -2.050 1.00 0.00 C ATOM 344 CD PRO A 20 23.299 21.913 -1.258 1.00 0.00 C ATOM 0 HA PRO A 20 21.122 20.769 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.971 21.703 -1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.799 22.836 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.908 21.438 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.976 23.145 -2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 20 24.085 21.513 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.673 22.847 -0.838 1.00 0.00 H new ATOM 352 N ASN A 21 21.664 18.316 -0.232 1.00 0.00 N ATOM 353 CA ASN A 21 21.341 16.968 -0.684 1.00 0.00 C ATOM 354 C ASN A 21 21.396 15.925 0.432 1.00 0.00 C ATOM 355 O ASN A 21 21.252 14.735 0.140 1.00 0.00 O ATOM 356 CB ASN A 21 22.233 16.559 -1.864 1.00 0.00 C ATOM 357 CG ASN A 21 23.644 16.204 -1.407 1.00 0.00 C ATOM 358 OD1 ASN A 21 24.330 17.027 -0.813 1.00 0.00 O ATOM 359 ND2 ASN A 21 24.096 14.981 -1.666 1.00 0.00 N ATOM 0 H ASN A 21 22.371 18.345 0.503 1.00 0.00 H new ATOM 0 HA ASN A 21 20.304 16.998 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.790 15.705 -2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.278 17.375 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 21 25.033 14.710 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.506 14.314 -2.162 1.00 0.00 H new ATOM 366 N GLN A 22 21.583 16.339 1.692 1.00 0.00 N ATOM 367 CA GLN A 22 21.601 15.444 2.837 1.00 0.00 C ATOM 368 C GLN A 22 21.260 16.192 4.096 1.00 0.00 C ATOM 369 O GLN A 22 21.464 17.401 4.131 1.00 0.00 O ATOM 370 CB GLN A 22 23.011 14.911 3.158 1.00 0.00 C ATOM 371 CG GLN A 22 23.960 14.742 1.963 1.00 0.00 C ATOM 372 CD GLN A 22 25.281 14.119 2.397 1.00 0.00 C ATOM 373 OE1 GLN A 22 25.453 12.908 2.307 1.00 0.00 O ATOM 374 NE2 GLN A 22 26.227 14.928 2.863 1.00 0.00 N ATOM 0 H GLN A 22 21.727 17.318 1.939 1.00 0.00 H new ATOM 0 HA GLN A 22 20.903 14.651 2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.478 15.588 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.908 13.945 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.489 14.114 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.146 15.712 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 22 26.054 15.931 2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 22 27.126 14.546 3.158 1.00 0.00 H new ATOM 383 N LEU A 23 20.832 15.463 5.135 1.00 0.00 N ATOM 384 CA LEU A 23 20.705 16.048 6.443 1.00 0.00 C ATOM 385 C LEU A 23 21.399 15.183 7.496 1.00 0.00 C ATOM 386 O LEU A 23 21.217 13.966 7.535 1.00 0.00 O ATOM 387 CB LEU A 23 19.282 16.440 6.861 1.00 0.00 C ATOM 388 CG LEU A 23 18.110 15.954 6.020 1.00 0.00 C ATOM 389 CD1 LEU A 23 17.929 14.442 6.180 1.00 0.00 C ATOM 390 CD2 LEU A 23 16.828 16.652 6.491 1.00 0.00 C ATOM 0 H LEU A 23 20.574 14.478 5.080 1.00 0.00 H new ATOM 0 HA LEU A 23 21.220 17.006 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.127 16.084 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.236 17.529 6.894 1.00 0.00 H new ATOM 0 HG LEU A 23 18.310 16.185 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 17.087 14.110 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.835 13.931 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.736 14.207 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.985 16.308 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.649 16.415 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.938 17.730 6.377 1.00 0.00 H new ATOM 402 N SER A 24 22.199 15.821 8.350 1.00 0.00 N ATOM 403 CA SER A 24 22.901 15.185 9.450 1.00 0.00 C ATOM 404 C SER A 24 21.917 14.933 10.600 1.00 0.00 C ATOM 405 O SER A 24 20.788 15.419 10.563 1.00 0.00 O ATOM 406 CB SER A 24 24.036 16.115 9.903 1.00 0.00 C ATOM 407 OG SER A 24 24.827 16.499 8.795 1.00 0.00 O ATOM 0 H SER A 24 22.378 16.823 8.289 1.00 0.00 H new ATOM 0 HA SER A 24 23.321 14.229 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.620 16.999 10.386 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.656 15.610 10.644 1.00 0.00 H new ATOM 0 HG SER A 24 25.330 15.724 8.468 1.00 0.00 H new ATOM 413 N LYS A 25 22.337 14.192 11.631 1.00 0.00 N ATOM 414 CA LYS A 25 21.523 13.856 12.803 1.00 0.00 C ATOM 415 C LYS A 25 20.755 15.057 13.368 1.00 0.00 C ATOM 416 O LYS A 25 19.582 14.939 13.713 1.00 0.00 O ATOM 417 CB LYS A 25 22.405 13.181 13.861 1.00 0.00 C ATOM 418 CG LYS A 25 22.775 11.762 13.392 1.00 0.00 C ATOM 419 CD LYS A 25 23.751 11.043 14.336 1.00 0.00 C ATOM 420 CE LYS A 25 25.211 11.196 13.888 1.00 0.00 C ATOM 421 NZ LYS A 25 25.663 12.597 13.927 1.00 0.00 N ATOM 0 H LYS A 25 23.277 13.799 11.674 1.00 0.00 H new ATOM 0 HA LYS A 25 20.751 13.154 12.486 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.308 13.768 14.025 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.878 13.135 14.814 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.865 11.169 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.219 11.820 12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.639 11.442 15.344 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.496 9.984 14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.851 10.592 14.531 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.320 10.809 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.654 12.651 13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.070 13.171 13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.585 12.960 14.898 1.00 0.00 H new ATOM 435 N GLU A 26 21.406 16.216 13.454 1.00 0.00 N ATOM 436 CA GLU A 26 20.813 17.443 13.967 1.00 0.00 C ATOM 437 C GLU A 26 19.623 17.871 13.097 1.00 0.00 C ATOM 438 O GLU A 26 18.554 18.232 13.590 1.00 0.00 O ATOM 439 CB GLU A 26 21.878 18.554 14.005 1.00 0.00 C ATOM 440 CG GLU A 26 23.082 18.245 14.918 1.00 0.00 C ATOM 441 CD GLU A 26 24.076 17.217 14.368 1.00 0.00 C ATOM 442 OE1 GLU A 26 24.028 16.952 13.145 1.00 0.00 O ATOM 443 OE2 GLU A 26 24.856 16.693 15.190 1.00 0.00 O ATOM 0 H GLU A 26 22.377 16.327 13.163 1.00 0.00 H new ATOM 0 HA GLU A 26 20.447 17.265 14.978 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.240 18.729 12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.410 19.479 14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.617 19.175 15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.707 17.886 15.877 1.00 0.00 H new ATOM 450 N GLU A 27 19.815 17.826 11.780 1.00 0.00 N ATOM 451 CA GLU A 27 18.803 18.225 10.821 1.00 0.00 C ATOM 452 C GLU A 27 17.694 17.171 10.757 1.00 0.00 C ATOM 453 O GLU A 27 16.519 17.523 10.664 1.00 0.00 O ATOM 454 CB GLU A 27 19.475 18.514 9.478 1.00 0.00 C ATOM 455 CG GLU A 27 20.559 19.604 9.551 1.00 0.00 C ATOM 456 CD GLU A 27 20.106 20.893 10.227 1.00 0.00 C ATOM 457 OE1 GLU A 27 20.117 20.919 11.478 1.00 0.00 O ATOM 458 OE2 GLU A 27 19.751 21.832 9.483 1.00 0.00 O ATOM 0 H GLU A 27 20.685 17.509 11.352 1.00 0.00 H new ATOM 0 HA GLU A 27 18.311 19.148 11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.922 17.594 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.714 18.818 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.420 19.208 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.894 19.836 8.540 1.00 0.00 H new ATOM 465 N LEU A 28 18.048 15.885 10.838 1.00 0.00 N ATOM 466 CA LEU A 28 17.061 14.814 10.895 1.00 0.00 C ATOM 467 C LEU A 28 16.185 15.091 12.113 1.00 0.00 C ATOM 468 O LEU A 28 14.965 15.170 11.994 1.00 0.00 O ATOM 469 CB LEU A 28 17.741 13.446 11.044 1.00 0.00 C ATOM 470 CG LEU A 28 18.339 12.927 9.731 1.00 0.00 C ATOM 471 CD1 LEU A 28 19.532 12.024 10.029 1.00 0.00 C ATOM 472 CD2 LEU A 28 17.281 12.194 8.896 1.00 0.00 C ATOM 0 H LEU A 28 19.016 15.564 10.865 1.00 0.00 H new ATOM 0 HA LEU A 28 16.475 14.787 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.530 13.518 11.792 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.014 12.724 11.416 1.00 0.00 H new ATOM 0 HG LEU A 28 18.685 13.776 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.954 11.658 9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.290 12.589 10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.206 11.179 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.732 11.836 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.894 11.347 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.465 12.877 8.662 1.00 0.00 H new ATOM 484 N LYS A 29 16.817 15.262 13.280 1.00 0.00 N ATOM 485 CA LYS A 29 16.124 15.569 14.518 1.00 0.00 C ATOM 486 C LYS A 29 15.181 16.743 14.291 1.00 0.00 C ATOM 487 O LYS A 29 14.002 16.624 14.611 1.00 0.00 O ATOM 488 CB LYS A 29 17.126 15.850 15.650 1.00 0.00 C ATOM 489 CG LYS A 29 16.492 16.451 16.917 1.00 0.00 C ATOM 490 CD LYS A 29 15.488 15.490 17.571 1.00 0.00 C ATOM 491 CE LYS A 29 14.838 16.094 18.821 1.00 0.00 C ATOM 492 NZ LYS A 29 15.823 16.389 19.877 1.00 0.00 N ATOM 0 H LYS A 29 17.829 15.189 13.383 1.00 0.00 H new ATOM 0 HA LYS A 29 15.532 14.707 14.827 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.629 14.920 15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.892 16.532 15.281 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.276 16.698 17.633 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.988 17.383 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.713 15.231 16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.996 14.564 17.839 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.315 17.011 18.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.089 15.403 19.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.326 16.651 20.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.409 15.547 20.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.430 17.178 19.575 1.00 0.00 H new ATOM 506 N GLN A 30 15.670 17.869 13.749 1.00 0.00 N ATOM 507 CA GLN A 30 14.780 19.000 13.525 1.00 0.00 C ATOM 508 C GLN A 30 13.585 18.587 12.649 1.00 0.00 C ATOM 509 O GLN A 30 12.446 18.907 12.979 1.00 0.00 O ATOM 510 CB GLN A 30 15.515 20.289 13.114 1.00 0.00 C ATOM 511 CG GLN A 30 15.526 20.625 11.618 1.00 0.00 C ATOM 512 CD GLN A 30 16.173 21.983 11.364 1.00 0.00 C ATOM 513 OE1 GLN A 30 15.505 22.937 10.980 1.00 0.00 O ATOM 514 NE2 GLN A 30 17.480 22.098 11.581 1.00 0.00 N ATOM 0 H GLN A 30 16.640 18.012 13.469 1.00 0.00 H new ATOM 0 HA GLN A 30 14.344 19.291 14.481 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.062 21.125 13.648 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.548 20.216 13.454 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.069 19.853 11.073 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.505 20.628 11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.017 21.292 11.900 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.946 22.993 11.428 1.00 0.00 H new ATOM 523 N LEU A 31 13.817 17.859 11.548 1.00 0.00 N ATOM 524 CA LEU A 31 12.729 17.353 10.715 1.00 0.00 C ATOM 525 C LEU A 31 11.678 16.616 11.540 1.00 0.00 C ATOM 526 O LEU A 31 10.485 16.921 11.500 1.00 0.00 O ATOM 527 CB LEU A 31 13.296 16.496 9.565 1.00 0.00 C ATOM 528 CG LEU A 31 12.317 16.326 8.388 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.096 16.264 7.068 1.00 0.00 C ATOM 530 CD2 LEU A 31 11.481 15.049 8.527 1.00 0.00 C ATOM 0 H LEU A 31 14.749 17.610 11.218 1.00 0.00 H new ATOM 0 HA LEU A 31 12.210 18.201 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.215 16.954 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.562 15.512 9.952 1.00 0.00 H new ATOM 0 HG LEU A 31 11.645 17.184 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.398 16.144 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.661 17.186 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.783 15.418 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.803 14.964 7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.142 14.182 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.903 15.091 9.450 1.00 0.00 H new ATOM 542 N ILE A 32 12.150 15.642 12.300 1.00 0.00 N ATOM 543 CA ILE A 32 11.297 14.808 13.138 1.00 0.00 C ATOM 544 C ILE A 32 10.520 15.629 14.158 1.00 0.00 C ATOM 545 O ILE A 32 9.311 15.470 14.308 1.00 0.00 O ATOM 546 CB ILE A 32 12.063 13.637 13.779 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.780 12.737 12.756 1.00 0.00 C ATOM 548 CG2 ILE A 32 11.102 12.778 14.614 1.00 0.00 C ATOM 549 CD1 ILE A 32 11.958 12.396 11.509 1.00 0.00 C ATOM 0 H ILE A 32 13.140 15.404 12.355 1.00 0.00 H new ATOM 0 HA ILE A 32 10.558 14.355 12.477 1.00 0.00 H new ATOM 0 HB ILE A 32 12.833 14.085 14.408 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.701 13.230 12.443 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.067 11.808 13.249 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.651 11.951 15.065 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.657 13.389 15.399 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.315 12.383 13.971 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.546 11.759 10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.049 11.871 11.804 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.693 13.315 10.986 1.00 0.00 H new ATOM 561 N GLN A 33 11.235 16.503 14.850 1.00 0.00 N ATOM 562 CA GLN A 33 10.687 17.369 15.887 1.00 0.00 C ATOM 563 C GLN A 33 9.653 18.329 15.298 1.00 0.00 C ATOM 564 O GLN A 33 8.682 18.677 15.963 1.00 0.00 O ATOM 565 CB GLN A 33 11.789 18.049 16.723 1.00 0.00 C ATOM 566 CG GLN A 33 12.078 19.509 16.345 1.00 0.00 C ATOM 567 CD GLN A 33 13.332 20.059 17.019 1.00 0.00 C ATOM 568 OE1 GLN A 33 13.909 19.438 17.904 1.00 0.00 O ATOM 569 NE2 GLN A 33 13.774 21.242 16.601 1.00 0.00 N ATOM 0 H GLN A 33 12.236 16.634 14.704 1.00 0.00 H new ATOM 0 HA GLN A 33 10.149 16.752 16.607 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.503 18.011 17.774 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.709 17.474 16.622 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.190 19.584 15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.223 20.127 16.620 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.277 21.740 15.863 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.610 21.651 17.019 1.00 0.00 H new ATOM 578 N ALA A 34 9.859 18.757 14.050 1.00 0.00 N ATOM 579 CA ALA A 34 8.922 19.629 13.369 1.00 0.00 C ATOM 580 C ALA A 34 7.658 18.851 12.991 1.00 0.00 C ATOM 581 O ALA A 34 6.554 19.345 13.199 1.00 0.00 O ATOM 582 CB ALA A 34 9.586 20.246 12.135 1.00 0.00 C ATOM 0 H ALA A 34 10.676 18.506 13.494 1.00 0.00 H new ATOM 0 HA ALA A 34 8.630 20.439 14.037 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.876 20.900 11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.457 20.825 12.442 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.898 19.453 11.455 1.00 0.00 H new ATOM 588 N GLU A 35 7.811 17.648 12.421 1.00 0.00 N ATOM 589 CA GLU A 35 6.669 16.862 11.968 1.00 0.00 C ATOM 590 C GLU A 35 5.921 16.059 13.044 1.00 0.00 C ATOM 591 O GLU A 35 4.702 16.196 13.146 1.00 0.00 O ATOM 592 CB GLU A 35 7.063 15.944 10.806 1.00 0.00 C ATOM 593 CG GLU A 35 7.574 16.700 9.573 1.00 0.00 C ATOM 594 CD GLU A 35 7.500 15.811 8.333 1.00 0.00 C ATOM 595 OE1 GLU A 35 8.259 14.820 8.291 1.00 0.00 O ATOM 596 OE2 GLU A 35 6.661 16.122 7.459 1.00 0.00 O ATOM 0 H GLU A 35 8.716 17.203 12.265 1.00 0.00 H new ATOM 0 HA GLU A 35 5.953 17.616 11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.836 15.254 11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.200 15.342 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.979 17.600 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.603 17.022 9.736 1.00 0.00 H new ATOM 603 N PHE A 36 6.590 15.195 13.818 1.00 0.00 N ATOM 604 CA PHE A 36 5.892 14.319 14.768 1.00 0.00 C ATOM 605 C PHE A 36 6.789 13.711 15.863 1.00 0.00 C ATOM 606 O PHE A 36 6.984 12.492 15.903 1.00 0.00 O ATOM 607 CB PHE A 36 5.119 13.236 13.985 1.00 0.00 C ATOM 608 CG PHE A 36 5.763 12.763 12.689 1.00 0.00 C ATOM 609 CD1 PHE A 36 7.031 12.148 12.694 1.00 0.00 C ATOM 610 CD2 PHE A 36 5.139 13.052 11.461 1.00 0.00 C ATOM 611 CE1 PHE A 36 7.708 11.921 11.483 1.00 0.00 C ATOM 612 CE2 PHE A 36 5.815 12.819 10.252 1.00 0.00 C ATOM 613 CZ PHE A 36 7.120 12.301 10.266 1.00 0.00 C ATOM 0 H PHE A 36 7.604 15.084 13.806 1.00 0.00 H new ATOM 0 HA PHE A 36 5.194 14.945 15.324 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.983 12.373 14.636 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.126 13.621 13.755 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.483 11.851 13.629 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.137 13.454 11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.682 11.454 11.489 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.331 13.038 9.312 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.670 12.195 9.343 1.00 0.00 H new ATOM 623 N PRO A 37 7.318 14.523 16.793 1.00 0.00 N ATOM 624 CA PRO A 37 8.138 14.033 17.895 1.00 0.00 C ATOM 625 C PRO A 37 7.385 13.029 18.760 1.00 0.00 C ATOM 626 O PRO A 37 7.957 12.107 19.335 1.00 0.00 O ATOM 627 CB PRO A 37 8.578 15.264 18.692 1.00 0.00 C ATOM 628 CG PRO A 37 7.557 16.337 18.305 1.00 0.00 C ATOM 629 CD PRO A 37 7.145 15.957 16.883 1.00 0.00 C ATOM 0 HA PRO A 37 9.006 13.490 17.520 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.567 15.070 19.765 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.593 15.566 18.433 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.702 16.338 18.982 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.993 17.335 18.341 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.111 16.239 16.687 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.761 16.472 16.146 1.00 0.00 H new ATOM 637 N SER A 38 6.078 13.235 18.817 1.00 0.00 N ATOM 638 CA SER A 38 5.089 12.449 19.525 1.00 0.00 C ATOM 639 C SER A 38 5.102 10.993 19.056 1.00 0.00 C ATOM 640 O SER A 38 4.818 10.093 19.846 1.00 0.00 O ATOM 641 CB SER A 38 3.727 13.100 19.262 1.00 0.00 C ATOM 642 OG SER A 38 3.690 13.605 17.934 1.00 0.00 O ATOM 0 H SER A 38 5.651 14.022 18.328 1.00 0.00 H new ATOM 0 HA SER A 38 5.307 12.432 20.593 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.930 12.371 19.407 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.555 13.907 19.974 1.00 0.00 H new ATOM 0 HG SER A 38 2.818 14.020 17.766 1.00 0.00 H new ATOM 648 N LEU A 39 5.423 10.754 17.780 1.00 0.00 N ATOM 649 CA LEU A 39 5.471 9.410 17.235 1.00 0.00 C ATOM 650 C LEU A 39 6.862 8.837 17.484 1.00 0.00 C ATOM 651 O LEU A 39 7.020 7.917 18.287 1.00 0.00 O ATOM 652 CB LEU A 39 5.094 9.404 15.745 1.00 0.00 C ATOM 653 CG LEU A 39 3.656 9.879 15.470 1.00 0.00 C ATOM 654 CD1 LEU A 39 3.392 9.814 13.961 1.00 0.00 C ATOM 655 CD2 LEU A 39 2.602 9.029 16.193 1.00 0.00 C ATOM 0 H LEU A 39 5.654 11.486 17.108 1.00 0.00 H new ATOM 0 HA LEU A 39 4.737 8.777 17.734 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.789 10.043 15.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.215 8.394 15.352 1.00 0.00 H new ATOM 0 HG LEU A 39 3.571 10.898 15.847 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.375 10.149 13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.099 10.459 13.440 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.514 8.788 13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.607 9.410 15.963 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.680 7.993 15.862 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.770 9.079 17.269 1.00 0.00 H new ATOM 667 N LEU A 40 7.878 9.378 16.811 1.00 0.00 N ATOM 668 CA LEU A 40 9.239 8.873 16.936 1.00 0.00 C ATOM 669 C LEU A 40 9.897 9.372 18.223 1.00 0.00 C ATOM 670 O LEU A 40 10.863 10.130 18.194 1.00 0.00 O ATOM 671 CB LEU A 40 10.054 9.227 15.685 1.00 0.00 C ATOM 672 CG LEU A 40 9.440 8.716 14.369 1.00 0.00 C ATOM 673 CD1 LEU A 40 10.361 9.104 13.210 1.00 0.00 C ATOM 674 CD2 LEU A 40 9.247 7.194 14.348 1.00 0.00 C ATOM 0 H LEU A 40 7.780 10.168 16.173 1.00 0.00 H new ATOM 0 HA LEU A 40 9.206 7.786 17.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.159 10.310 15.628 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.057 8.814 15.789 1.00 0.00 H new ATOM 0 HG LEU A 40 8.455 9.174 14.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.936 8.747 12.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.462 10.189 13.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.342 8.653 13.358 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.811 6.896 13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.212 6.703 14.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.581 6.900 15.159 1.00 0.00 H new ATOM 686 N LYS A 41 9.378 8.938 19.373 1.00 0.00 N ATOM 687 CA LYS A 41 9.927 9.310 20.664 1.00 0.00 C ATOM 688 C LYS A 41 11.277 8.617 20.865 1.00 0.00 C ATOM 689 O LYS A 41 11.311 7.472 21.310 1.00 0.00 O ATOM 690 CB LYS A 41 8.948 8.947 21.789 1.00 0.00 C ATOM 691 CG LYS A 41 7.666 9.788 21.702 1.00 0.00 C ATOM 692 CD LYS A 41 6.839 9.800 22.998 1.00 0.00 C ATOM 693 CE LYS A 41 5.923 8.585 23.187 1.00 0.00 C ATOM 694 NZ LYS A 41 6.666 7.325 23.345 1.00 0.00 N ATOM 0 H LYS A 41 8.568 8.321 19.428 1.00 0.00 H new ATOM 0 HA LYS A 41 10.080 10.389 20.693 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.696 7.888 21.728 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.426 9.106 22.756 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.932 10.813 21.443 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.047 9.405 20.891 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.520 9.859 23.847 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.229 10.703 23.015 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.295 8.743 24.064 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.256 8.502 22.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.030 6.591 23.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.039 7.024 22.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.455 7.468 24.008 1.00 0.00 H new ATOM 708 N GLY A 42 12.372 9.317 20.536 1.00 0.00 N ATOM 709 CA GLY A 42 13.762 8.889 20.691 1.00 0.00 C ATOM 710 C GLY A 42 13.970 7.399 20.396 1.00 0.00 C ATOM 711 O GLY A 42 14.081 7.042 19.221 1.00 0.00 O ATOM 0 H GLY A 42 12.303 10.251 20.131 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.393 9.477 20.024 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.090 9.101 21.709 1.00 0.00 H new ATOM 715 N PRO A 43 14.018 6.532 21.432 1.00 0.00 N ATOM 716 CA PRO A 43 14.131 5.085 21.290 1.00 0.00 C ATOM 717 C PRO A 43 13.241 4.507 20.185 1.00 0.00 C ATOM 718 O PRO A 43 13.650 3.567 19.505 1.00 0.00 O ATOM 719 CB PRO A 43 13.761 4.508 22.657 1.00 0.00 C ATOM 720 CG PRO A 43 14.248 5.591 23.614 1.00 0.00 C ATOM 721 CD PRO A 43 13.947 6.879 22.848 1.00 0.00 C ATOM 0 HA PRO A 43 15.143 4.818 20.986 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.688 4.337 22.749 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.253 3.553 22.841 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.721 5.555 24.568 1.00 0.00 H new ATOM 0 HG3 PRO A 43 15.311 5.489 23.833 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.961 7.265 23.106 1.00 0.00 H new ATOM 0 HD3 PRO A 43 14.669 7.658 23.095 1.00 0.00 H new ATOM 729 N ARG A 44 12.037 5.061 19.985 1.00 0.00 N ATOM 730 CA ARG A 44 11.129 4.633 18.926 1.00 0.00 C ATOM 731 C ARG A 44 11.652 5.197 17.598 1.00 0.00 C ATOM 732 O ARG A 44 11.041 6.067 16.984 1.00 0.00 O ATOM 733 CB ARG A 44 9.690 5.074 19.235 1.00 0.00 C ATOM 734 CG ARG A 44 9.252 4.606 20.631 1.00 0.00 C ATOM 735 CD ARG A 44 7.731 4.455 20.759 1.00 0.00 C ATOM 736 NE ARG A 44 7.011 5.664 20.332 1.00 0.00 N ATOM 737 CZ ARG A 44 5.721 5.920 20.589 1.00 0.00 C ATOM 738 NH1 ARG A 44 4.986 5.085 21.332 1.00 0.00 N ATOM 739 NH2 ARG A 44 5.177 7.031 20.089 1.00 0.00 N ATOM 0 H ARG A 44 11.670 5.821 20.558 1.00 0.00 H new ATOM 0 HA ARG A 44 11.099 3.546 18.855 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.619 6.160 19.174 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.013 4.667 18.484 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.727 3.651 20.854 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.605 5.319 21.375 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.401 3.607 20.159 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.477 4.230 21.795 1.00 0.00 H new ATOM 0 HE ARG A 44 7.533 6.360 19.800 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.406 4.237 21.713 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.005 5.296 21.517 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.741 7.665 19.524 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.197 7.246 20.272 1.00 0.00 H new ATOM 753 N THR A 45 12.810 4.686 17.180 1.00 0.00 N ATOM 754 CA THR A 45 13.584 5.026 16.014 1.00 0.00 C ATOM 755 C THR A 45 13.553 6.473 15.546 1.00 0.00 C ATOM 756 O THR A 45 13.179 6.761 14.411 1.00 0.00 O ATOM 757 CB THR A 45 13.408 4.020 14.877 1.00 0.00 C ATOM 758 OG1 THR A 45 13.502 2.713 15.408 1.00 0.00 O ATOM 759 CG2 THR A 45 14.560 4.219 13.885 1.00 0.00 C ATOM 0 H THR A 45 13.266 3.947 17.715 1.00 0.00 H new ATOM 0 HA THR A 45 14.606 4.939 16.382 1.00 0.00 H new ATOM 0 HB THR A 45 12.444 4.161 14.389 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.389 2.058 14.688 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.458 3.512 13.062 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.532 5.236 13.495 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.510 4.051 14.392 1.00 0.00 H new ATOM 767 N LEU A 46 14.021 7.384 16.399 1.00 0.00 N ATOM 768 CA LEU A 46 14.250 8.738 15.929 1.00 0.00 C ATOM 769 C LEU A 46 15.575 8.741 15.155 1.00 0.00 C ATOM 770 O LEU A 46 15.843 9.688 14.425 1.00 0.00 O ATOM 771 CB LEU A 46 14.268 9.738 17.086 1.00 0.00 C ATOM 772 CG LEU A 46 14.389 11.188 16.571 1.00 0.00 C ATOM 773 CD1 LEU A 46 13.438 12.108 17.346 1.00 0.00 C ATOM 774 CD2 LEU A 46 15.811 11.730 16.772 1.00 0.00 C ATOM 0 H LEU A 46 14.240 7.214 17.381 1.00 0.00 H new ATOM 0 HA LEU A 46 13.436 9.052 15.276 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.356 9.633 17.674 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.103 9.515 17.750 1.00 0.00 H new ATOM 0 HG LEU A 46 14.140 11.173 15.510 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.534 13.128 16.973 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.412 11.767 17.211 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.692 12.084 18.406 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.866 12.753 16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.059 11.716 17.833 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.519 11.106 16.226 1.00 0.00 H new ATOM 786 N ASP A 47 16.420 7.704 15.312 1.00 0.00 N ATOM 787 CA ASP A 47 17.689 7.649 14.594 1.00 0.00 C ATOM 788 C ASP A 47 18.300 6.263 14.355 1.00 0.00 C ATOM 789 O ASP A 47 19.177 6.149 13.508 1.00 0.00 O ATOM 790 CB ASP A 47 18.712 8.545 15.307 1.00 0.00 C ATOM 791 CG ASP A 47 19.958 8.805 14.463 1.00 0.00 C ATOM 792 OD1 ASP A 47 19.829 9.572 13.485 1.00 0.00 O ATOM 793 OD2 ASP A 47 21.020 8.247 14.816 1.00 0.00 O ATOM 0 H ASP A 47 16.242 6.907 15.923 1.00 0.00 H new ATOM 0 HA ASP A 47 17.445 8.003 13.592 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.243 9.496 15.558 1.00 0.00 H new ATOM 0 HB3 ASP A 47 19.006 8.077 16.247 1.00 0.00 H new ATOM 798 N ASP A 48 17.890 5.207 15.063 1.00 0.00 N ATOM 799 CA ASP A 48 18.467 3.871 14.874 1.00 0.00 C ATOM 800 C ASP A 48 18.653 3.474 13.400 1.00 0.00 C ATOM 801 O ASP A 48 19.757 3.114 13.003 1.00 0.00 O ATOM 802 CB ASP A 48 17.665 2.815 15.644 1.00 0.00 C ATOM 803 CG ASP A 48 18.300 1.436 15.491 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.241 1.156 16.264 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.835 0.694 14.598 1.00 0.00 O ATOM 0 H ASP A 48 17.160 5.250 15.774 1.00 0.00 H new ATOM 0 HA ASP A 48 19.474 3.917 15.289 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.619 3.084 16.699 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.639 2.791 15.276 1.00 0.00 H new ATOM 810 N LEU A 49 17.599 3.544 12.578 1.00 0.00 N ATOM 811 CA LEU A 49 17.732 3.193 11.161 1.00 0.00 C ATOM 812 C LEU A 49 18.354 4.351 10.373 1.00 0.00 C ATOM 813 O LEU A 49 19.058 4.142 9.386 1.00 0.00 O ATOM 814 CB LEU A 49 16.425 2.628 10.578 1.00 0.00 C ATOM 815 CG LEU A 49 15.294 3.631 10.296 1.00 0.00 C ATOM 816 CD1 LEU A 49 15.431 4.273 8.907 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.944 2.904 10.334 1.00 0.00 C ATOM 0 H LEU A 49 16.663 3.834 12.862 1.00 0.00 H new ATOM 0 HA LEU A 49 18.436 2.366 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.664 2.116 9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.045 1.874 11.267 1.00 0.00 H new ATOM 0 HG LEU A 49 15.355 4.407 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.612 4.975 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.381 4.803 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.397 3.497 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.142 3.615 10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.931 2.120 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.798 2.459 11.318 1.00 0.00 H new ATOM 829 N PHE A 50 18.120 5.590 10.820 1.00 0.00 N ATOM 830 CA PHE A 50 18.662 6.800 10.207 1.00 0.00 C ATOM 831 C PHE A 50 20.185 6.649 10.152 1.00 0.00 C ATOM 832 O PHE A 50 20.807 6.966 9.145 1.00 0.00 O ATOM 833 CB PHE A 50 18.275 8.031 11.028 1.00 0.00 C ATOM 834 CG PHE A 50 16.807 8.433 11.124 1.00 0.00 C ATOM 835 CD1 PHE A 50 15.744 7.516 10.990 1.00 0.00 C ATOM 836 CD2 PHE A 50 16.515 9.754 11.504 1.00 0.00 C ATOM 837 CE1 PHE A 50 14.437 7.891 11.348 1.00 0.00 C ATOM 838 CE2 PHE A 50 15.185 10.175 11.668 1.00 0.00 C ATOM 839 CZ PHE A 50 14.149 9.229 11.652 1.00 0.00 C ATOM 0 H PHE A 50 17.536 5.779 11.635 1.00 0.00 H new ATOM 0 HA PHE A 50 18.258 6.933 9.203 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.639 7.875 12.044 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.822 8.882 10.621 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.934 6.523 10.611 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.321 10.453 11.672 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.654 7.148 11.389 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.961 11.222 11.806 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.135 9.530 11.873 1.00 0.00 H new ATOM 849 N GLN A 51 20.779 6.138 11.235 1.00 0.00 N ATOM 850 CA GLN A 51 22.203 5.873 11.358 1.00 0.00 C ATOM 851 C GLN A 51 22.689 4.961 10.222 1.00 0.00 C ATOM 852 O GLN A 51 23.830 5.088 9.789 1.00 0.00 O ATOM 853 CB GLN A 51 22.483 5.311 12.763 1.00 0.00 C ATOM 854 CG GLN A 51 23.928 4.849 13.011 1.00 0.00 C ATOM 855 CD GLN A 51 25.011 5.888 12.721 1.00 0.00 C ATOM 856 OE1 GLN A 51 26.114 5.529 12.326 1.00 0.00 O ATOM 857 NE2 GLN A 51 24.733 7.174 12.918 1.00 0.00 N ATOM 0 H GLN A 51 20.257 5.891 12.076 1.00 0.00 H new ATOM 0 HA GLN A 51 22.774 6.795 11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.232 6.075 13.498 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.815 4.468 12.939 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.018 4.537 14.052 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.120 3.969 12.397 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.808 7.451 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 51 25.445 7.883 12.740 1.00 0.00 H new ATOM 866 N GLU A 52 21.838 4.059 9.719 1.00 0.00 N ATOM 867 CA GLU A 52 22.187 3.192 8.601 1.00 0.00 C ATOM 868 C GLU A 52 22.093 4.019 7.315 1.00 0.00 C ATOM 869 O GLU A 52 22.986 3.982 6.474 1.00 0.00 O ATOM 870 CB GLU A 52 21.264 1.965 8.554 1.00 0.00 C ATOM 871 CG GLU A 52 21.259 1.198 9.884 1.00 0.00 C ATOM 872 CD GLU A 52 20.356 -0.030 9.808 1.00 0.00 C ATOM 873 OE1 GLU A 52 19.126 0.175 9.723 1.00 0.00 O ATOM 874 OE2 GLU A 52 20.913 -1.149 9.823 1.00 0.00 O ATOM 0 H GLU A 52 20.894 3.914 10.077 1.00 0.00 H new ATOM 0 HA GLU A 52 23.203 2.813 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.249 2.284 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.586 1.300 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.275 0.891 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.918 1.855 10.685 1.00 0.00 H new ATOM 881 N LEU A 53 21.004 4.786 7.174 1.00 0.00 N ATOM 882 CA LEU A 53 20.787 5.668 6.028 1.00 0.00 C ATOM 883 C LEU A 53 21.929 6.691 5.892 1.00 0.00 C ATOM 884 O LEU A 53 22.252 7.121 4.789 1.00 0.00 O ATOM 885 CB LEU A 53 19.417 6.362 6.140 1.00 0.00 C ATOM 886 CG LEU A 53 18.204 5.416 6.147 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.921 6.254 6.234 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.127 4.519 4.905 1.00 0.00 C ATOM 0 H LEU A 53 20.247 4.810 7.857 1.00 0.00 H new ATOM 0 HA LEU A 53 20.786 5.063 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.401 6.955 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.311 7.058 5.308 1.00 0.00 H new ATOM 0 HG LEU A 53 18.315 4.760 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.054 5.593 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.933 6.844 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.863 6.921 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.249 3.877 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.054 5.140 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.024 3.902 4.846 1.00 0.00 H new ATOM 900 N ASP A 54 22.547 7.077 7.010 1.00 0.00 N ATOM 901 CA ASP A 54 23.654 8.025 7.179 1.00 0.00 C ATOM 902 C ASP A 54 24.950 7.727 6.409 1.00 0.00 C ATOM 903 O ASP A 54 25.968 8.338 6.724 1.00 0.00 O ATOM 904 CB ASP A 54 23.940 8.061 8.686 1.00 0.00 C ATOM 905 CG ASP A 54 24.515 9.382 9.136 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.752 9.528 9.097 1.00 0.00 O ATOM 907 OD2 ASP A 54 23.697 10.267 9.467 1.00 0.00 O ATOM 0 H ASP A 54 22.257 6.696 7.911 1.00 0.00 H new ATOM 0 HA ASP A 54 23.333 8.976 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 54 23.017 7.866 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.636 7.261 8.939 1.00 0.00 H new ATOM 912 N LYS A 55 24.934 6.838 5.412 1.00 0.00 N ATOM 913 CA LYS A 55 26.058 6.413 4.581 1.00 0.00 C ATOM 914 C LYS A 55 27.326 6.032 5.370 1.00 0.00 C ATOM 915 O LYS A 55 27.674 4.855 5.427 1.00 0.00 O ATOM 916 CB LYS A 55 26.321 7.486 3.511 1.00 0.00 C ATOM 917 CG LYS A 55 27.285 7.054 2.394 1.00 0.00 C ATOM 918 CD LYS A 55 26.720 5.931 1.508 1.00 0.00 C ATOM 919 CE LYS A 55 27.313 4.556 1.844 1.00 0.00 C ATOM 920 NZ LYS A 55 26.714 3.499 1.010 1.00 0.00 N ATOM 0 H LYS A 55 24.071 6.363 5.147 1.00 0.00 H new ATOM 0 HA LYS A 55 25.775 5.479 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 55 25.370 7.773 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 55 26.724 8.374 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.519 7.917 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.222 6.720 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 55 25.637 5.893 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 55 26.921 6.163 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 55 28.392 4.575 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 55 27.144 4.332 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 27.134 2.581 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 25.688 3.467 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 26.897 3.703 0.007 1.00 0.00 H new ATOM 934 N ASN A 56 28.018 7.006 5.966 1.00 0.00 N ATOM 935 CA ASN A 56 29.234 6.816 6.746 1.00 0.00 C ATOM 936 C ASN A 56 28.917 6.675 8.242 1.00 0.00 C ATOM 937 O ASN A 56 29.628 5.950 8.932 1.00 0.00 O ATOM 938 CB ASN A 56 30.250 7.937 6.476 1.00 0.00 C ATOM 939 CG ASN A 56 30.030 9.152 7.370 1.00 0.00 C ATOM 940 OD1 ASN A 56 30.427 9.155 8.530 1.00 0.00 O ATOM 941 ND2 ASN A 56 29.400 10.202 6.863 1.00 0.00 N ATOM 0 H ASN A 56 27.732 7.984 5.914 1.00 0.00 H new ATOM 0 HA ASN A 56 29.696 5.882 6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 56 31.259 7.554 6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 56 30.181 8.241 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 56 29.239 11.028 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 56 29.076 10.184 5.896 1.00 0.00 H new ATOM 948 N GLY A 57 27.869 7.352 8.746 1.00 0.00 N ATOM 949 CA GLY A 57 27.474 7.265 10.154 1.00 0.00 C ATOM 950 C GLY A 57 27.607 8.559 10.970 1.00 0.00 C ATOM 951 O GLY A 57 26.884 8.733 11.954 1.00 0.00 O ATOM 0 H GLY A 57 27.279 7.970 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 57 26.436 6.934 10.200 1.00 0.00 H new ATOM 0 HA3 GLY A 57 28.076 6.493 10.633 1.00 0.00 H new ATOM 955 N ASP A 58 28.508 9.476 10.597 1.00 0.00 N ATOM 956 CA ASP A 58 28.753 10.701 11.362 1.00 0.00 C ATOM 957 C ASP A 58 27.683 11.797 11.249 1.00 0.00 C ATOM 958 O ASP A 58 27.720 12.737 12.039 1.00 0.00 O ATOM 959 CB ASP A 58 30.149 11.267 11.047 1.00 0.00 C ATOM 960 CG ASP A 58 30.222 12.140 9.792 1.00 0.00 C ATOM 961 OD1 ASP A 58 29.336 12.002 8.920 1.00 0.00 O ATOM 962 OD2 ASP A 58 31.180 12.940 9.725 1.00 0.00 O ATOM 0 H ASP A 58 29.084 9.389 9.760 1.00 0.00 H new ATOM 0 HA ASP A 58 28.697 10.382 12.403 1.00 0.00 H new ATOM 0 HB2 ASP A 58 30.488 11.854 11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 58 30.845 10.436 10.935 1.00 0.00 H new ATOM 967 N GLY A 59 26.747 11.705 10.300 1.00 0.00 N ATOM 968 CA GLY A 59 25.692 12.693 10.090 1.00 0.00 C ATOM 969 C GLY A 59 25.563 13.042 8.607 1.00 0.00 C ATOM 970 O GLY A 59 26.045 14.093 8.193 1.00 0.00 O ATOM 0 H GLY A 59 26.703 10.925 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.744 12.304 10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 59 25.912 13.594 10.663 1.00 0.00 H new ATOM 974 N GLU A 60 24.902 12.186 7.818 1.00 0.00 N ATOM 975 CA GLU A 60 24.723 12.349 6.381 1.00 0.00 C ATOM 976 C GLU A 60 23.569 11.515 5.800 1.00 0.00 C ATOM 977 O GLU A 60 23.811 10.638 4.970 1.00 0.00 O ATOM 978 CB GLU A 60 25.990 11.866 5.658 1.00 0.00 C ATOM 979 CG GLU A 60 27.230 12.748 5.819 1.00 0.00 C ATOM 980 CD GLU A 60 28.195 12.518 4.659 1.00 0.00 C ATOM 981 OE1 GLU A 60 28.645 11.359 4.515 1.00 0.00 O ATOM 982 OE2 GLU A 60 28.436 13.498 3.917 1.00 0.00 O ATOM 0 H GLU A 60 24.466 11.337 8.179 1.00 0.00 H new ATOM 0 HA GLU A 60 24.508 13.407 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.231 10.866 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.767 11.778 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.937 13.797 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.725 12.523 6.764 1.00 0.00 H new ATOM 989 N VAL A 61 22.312 11.753 6.170 1.00 0.00 N ATOM 990 CA VAL A 61 21.240 11.001 5.523 1.00 0.00 C ATOM 991 C VAL A 61 20.964 11.732 4.211 1.00 0.00 C ATOM 992 O VAL A 61 20.219 12.712 4.159 1.00 0.00 O ATOM 993 CB VAL A 61 20.038 10.805 6.454 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.814 10.270 5.709 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.415 9.783 7.532 1.00 0.00 C ATOM 0 H VAL A 61 22.019 12.426 6.879 1.00 0.00 H new ATOM 0 HA VAL A 61 21.515 9.971 5.296 1.00 0.00 H new ATOM 0 HB VAL A 61 19.787 11.776 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.987 10.147 6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.527 10.974 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.054 9.307 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.569 9.633 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.676 8.836 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.268 10.152 8.101 1.00 0.00 H new ATOM 1005 N SER A 62 21.619 11.249 3.159 1.00 0.00 N ATOM 1006 CA SER A 62 21.553 11.767 1.810 1.00 0.00 C ATOM 1007 C SER A 62 20.180 11.488 1.206 1.00 0.00 C ATOM 1008 O SER A 62 19.530 10.519 1.590 1.00 0.00 O ATOM 1009 CB SER A 62 22.694 11.122 1.031 1.00 0.00 C ATOM 1010 OG SER A 62 22.562 9.717 1.062 1.00 0.00 O ATOM 0 H SER A 62 22.240 10.444 3.236 1.00 0.00 H new ATOM 0 HA SER A 62 21.672 12.850 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.687 11.474 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.651 11.416 1.461 1.00 0.00 H new ATOM 0 HG SER A 62 22.969 9.332 0.258 1.00 0.00 H new ATOM 1016 N PHE A 63 19.715 12.328 0.274 1.00 0.00 N ATOM 1017 CA PHE A 63 18.387 12.188 -0.322 1.00 0.00 C ATOM 1018 C PHE A 63 18.040 10.752 -0.735 1.00 0.00 C ATOM 1019 O PHE A 63 16.989 10.225 -0.363 1.00 0.00 O ATOM 1020 CB PHE A 63 18.195 13.161 -1.493 1.00 0.00 C ATOM 1021 CG PHE A 63 16.754 13.209 -1.967 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.765 13.766 -1.132 1.00 0.00 C ATOM 1023 CD2 PHE A 63 16.372 12.530 -3.139 1.00 0.00 C ATOM 1024 CE1 PHE A 63 14.404 13.629 -1.458 1.00 0.00 C ATOM 1025 CE2 PHE A 63 15.011 12.407 -3.472 1.00 0.00 C ATOM 1026 CZ PHE A 63 14.027 12.950 -2.628 1.00 0.00 C ATOM 0 H PHE A 63 20.248 13.120 -0.085 1.00 0.00 H new ATOM 0 HA PHE A 63 17.683 12.449 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 63 18.509 14.159 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.838 12.862 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 63 16.053 14.300 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 63 17.125 12.103 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.649 14.046 -0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.722 11.895 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.982 12.845 -2.879 1.00 0.00 H new ATOM 1036 N GLU A 64 18.932 10.113 -1.497 1.00 0.00 N ATOM 1037 CA GLU A 64 18.743 8.757 -1.992 1.00 0.00 C ATOM 1038 C GLU A 64 18.538 7.722 -0.877 1.00 0.00 C ATOM 1039 O GLU A 64 18.006 6.648 -1.146 1.00 0.00 O ATOM 1040 CB GLU A 64 19.848 8.369 -2.991 1.00 0.00 C ATOM 1041 CG GLU A 64 21.255 8.159 -2.402 1.00 0.00 C ATOM 1042 CD GLU A 64 22.025 9.428 -2.041 1.00 0.00 C ATOM 1043 OE1 GLU A 64 21.498 10.537 -2.283 1.00 0.00 O ATOM 1044 OE2 GLU A 64 23.148 9.262 -1.515 1.00 0.00 O ATOM 0 H GLU A 64 19.815 10.533 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 64 17.802 8.750 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.547 7.450 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.908 9.146 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.164 7.545 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.847 7.590 -3.119 1.00 0.00 H new ATOM 1051 N GLU A 65 18.936 8.035 0.359 1.00 0.00 N ATOM 1052 CA GLU A 65 18.744 7.172 1.515 1.00 0.00 C ATOM 1053 C GLU A 65 17.485 7.660 2.246 1.00 0.00 C ATOM 1054 O GLU A 65 16.569 6.886 2.522 1.00 0.00 O ATOM 1055 CB GLU A 65 20.004 7.206 2.393 1.00 0.00 C ATOM 1056 CG GLU A 65 21.257 6.756 1.626 1.00 0.00 C ATOM 1057 CD GLU A 65 21.150 5.323 1.117 1.00 0.00 C ATOM 1058 OE1 GLU A 65 20.854 4.443 1.954 1.00 0.00 O ATOM 1059 OE2 GLU A 65 21.364 5.134 -0.100 1.00 0.00 O ATOM 0 H GLU A 65 19.408 8.911 0.582 1.00 0.00 H new ATOM 0 HA GLU A 65 18.596 6.130 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.155 8.217 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.859 6.561 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.422 7.426 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 65 22.127 6.842 2.277 1.00 0.00 H new ATOM 1066 N PHE A 66 17.441 8.967 2.529 1.00 0.00 N ATOM 1067 CA PHE A 66 16.349 9.684 3.177 1.00 0.00 C ATOM 1068 C PHE A 66 14.996 9.250 2.628 1.00 0.00 C ATOM 1069 O PHE A 66 14.045 9.088 3.395 1.00 0.00 O ATOM 1070 CB PHE A 66 16.506 11.191 2.933 1.00 0.00 C ATOM 1071 CG PHE A 66 15.450 12.044 3.610 1.00 0.00 C ATOM 1072 CD1 PHE A 66 15.290 11.997 5.008 1.00 0.00 C ATOM 1073 CD2 PHE A 66 14.571 12.824 2.834 1.00 0.00 C ATOM 1074 CE1 PHE A 66 14.238 12.700 5.622 1.00 0.00 C ATOM 1075 CE2 PHE A 66 13.542 13.553 3.453 1.00 0.00 C ATOM 1076 CZ PHE A 66 13.353 13.463 4.842 1.00 0.00 C ATOM 0 H PHE A 66 18.217 9.586 2.295 1.00 0.00 H new ATOM 0 HA PHE A 66 16.390 9.457 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.489 11.504 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.476 11.379 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.976 11.420 5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.688 12.862 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.110 12.653 6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.896 14.183 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.528 13.980 5.310 1.00 0.00 H new ATOM 1086 N GLN A 67 14.912 9.069 1.303 1.00 0.00 N ATOM 1087 CA GLN A 67 13.689 8.649 0.640 1.00 0.00 C ATOM 1088 C GLN A 67 12.980 7.500 1.368 1.00 0.00 C ATOM 1089 O GLN A 67 11.754 7.448 1.359 1.00 0.00 O ATOM 1090 CB GLN A 67 13.915 8.355 -0.847 1.00 0.00 C ATOM 1091 CG GLN A 67 14.657 7.040 -1.108 1.00 0.00 C ATOM 1092 CD GLN A 67 14.807 6.783 -2.606 1.00 0.00 C ATOM 1093 OE1 GLN A 67 13.851 6.929 -3.361 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.997 6.397 -3.053 1.00 0.00 N ATOM 0 H GLN A 67 15.697 9.212 0.667 1.00 0.00 H new ATOM 0 HA GLN A 67 13.005 9.496 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.950 8.324 -1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.481 9.175 -1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.641 7.075 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.115 6.215 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.774 6.284 -2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.134 6.214 -4.047 1.00 0.00 H new ATOM 1103 N VAL A 68 13.722 6.588 2.010 1.00 0.00 N ATOM 1104 CA VAL A 68 13.134 5.482 2.757 1.00 0.00 C ATOM 1105 C VAL A 68 12.124 6.024 3.778 1.00 0.00 C ATOM 1106 O VAL A 68 11.034 5.472 3.922 1.00 0.00 O ATOM 1107 CB VAL A 68 14.248 4.643 3.409 1.00 0.00 C ATOM 1108 CG1 VAL A 68 13.683 3.578 4.359 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.082 3.938 2.329 1.00 0.00 C ATOM 0 H VAL A 68 14.742 6.601 2.023 1.00 0.00 H new ATOM 0 HA VAL A 68 12.587 4.821 2.085 1.00 0.00 H new ATOM 0 HB VAL A 68 14.869 5.331 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.503 3.009 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.114 4.063 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.030 2.904 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.867 3.348 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.438 3.282 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.534 4.683 1.674 1.00 0.00 H new ATOM 1119 N LEU A 69 12.465 7.117 4.471 1.00 0.00 N ATOM 1120 CA LEU A 69 11.560 7.736 5.427 1.00 0.00 C ATOM 1121 C LEU A 69 10.414 8.368 4.636 1.00 0.00 C ATOM 1122 O LEU A 69 9.248 8.079 4.899 1.00 0.00 O ATOM 1123 CB LEU A 69 12.282 8.790 6.294 1.00 0.00 C ATOM 1124 CG LEU A 69 13.328 8.231 7.278 1.00 0.00 C ATOM 1125 CD1 LEU A 69 14.025 9.389 7.999 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.701 7.282 8.304 1.00 0.00 C ATOM 0 H LEU A 69 13.366 7.587 4.382 1.00 0.00 H new ATOM 0 HA LEU A 69 11.178 6.983 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.774 9.504 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.534 9.344 6.861 1.00 0.00 H new ATOM 0 HG LEU A 69 14.055 7.658 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.764 8.992 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.521 10.027 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.286 9.973 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.474 6.912 8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.945 7.816 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.238 6.442 7.787 1.00 0.00 H new ATOM 1138 N VAL A 70 10.755 9.226 3.667 1.00 0.00 N ATOM 1139 CA VAL A 70 9.801 9.961 2.834 1.00 0.00 C ATOM 1140 C VAL A 70 8.653 9.074 2.352 1.00 0.00 C ATOM 1141 O VAL A 70 7.485 9.426 2.526 1.00 0.00 O ATOM 1142 CB VAL A 70 10.506 10.604 1.622 1.00 0.00 C ATOM 1143 CG1 VAL A 70 9.551 11.374 0.701 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.602 11.569 2.075 1.00 0.00 C ATOM 0 H VAL A 70 11.727 9.432 3.436 1.00 0.00 H new ATOM 0 HA VAL A 70 9.379 10.746 3.462 1.00 0.00 H new ATOM 0 HB VAL A 70 10.928 9.770 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.112 11.800 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.791 10.695 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.070 12.175 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.083 12.009 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.162 12.359 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.343 11.028 2.664 1.00 0.00 H new ATOM 1154 N LYS A 71 8.993 7.937 1.740 1.00 0.00 N ATOM 1155 CA LYS A 71 8.037 6.977 1.209 1.00 0.00 C ATOM 1156 C LYS A 71 7.000 6.620 2.274 1.00 0.00 C ATOM 1157 O LYS A 71 5.802 6.590 1.990 1.00 0.00 O ATOM 1158 CB LYS A 71 8.776 5.721 0.721 1.00 0.00 C ATOM 1159 CG LYS A 71 9.624 5.947 -0.541 1.00 0.00 C ATOM 1160 CD LYS A 71 8.780 6.146 -1.809 1.00 0.00 C ATOM 1161 CE LYS A 71 9.654 6.081 -3.069 1.00 0.00 C ATOM 1162 NZ LYS A 71 10.726 7.093 -3.062 1.00 0.00 N ATOM 0 H LYS A 71 9.964 7.657 1.599 1.00 0.00 H new ATOM 0 HA LYS A 71 7.514 7.422 0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.422 5.358 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.046 4.937 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.258 6.821 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.287 5.093 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.007 5.380 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.272 7.109 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.096 5.088 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.028 6.225 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.731 7.600 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.560 7.769 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.644 6.625 -2.922 1.00 0.00 H new ATOM 1176 N LYS A 72 7.450 6.359 3.504 1.00 0.00 N ATOM 1177 CA LYS A 72 6.550 6.015 4.585 1.00 0.00 C ATOM 1178 C LYS A 72 5.705 7.235 4.954 1.00 0.00 C ATOM 1179 O LYS A 72 4.479 7.133 4.983 1.00 0.00 O ATOM 1180 CB LYS A 72 7.351 5.495 5.783 1.00 0.00 C ATOM 1181 CG LYS A 72 8.136 4.225 5.425 1.00 0.00 C ATOM 1182 CD LYS A 72 9.307 4.075 6.396 1.00 0.00 C ATOM 1183 CE LYS A 72 10.117 2.813 6.084 1.00 0.00 C ATOM 1184 NZ LYS A 72 11.255 2.667 7.010 1.00 0.00 N ATOM 0 H LYS A 72 8.435 6.382 3.767 1.00 0.00 H new ATOM 0 HA LYS A 72 5.874 5.220 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.041 6.267 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.674 5.285 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.486 3.352 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.502 4.285 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.952 4.951 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.933 4.028 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.472 1.937 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.483 2.857 5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.785 1.804 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.881 3.493 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.902 2.601 7.986 1.00 0.00 H new ATOM 1198 N ILE A 73 6.340 8.386 5.227 1.00 0.00 N ATOM 1199 CA ILE A 73 5.603 9.583 5.640 1.00 0.00 C ATOM 1200 C ILE A 73 4.474 9.890 4.658 1.00 0.00 C ATOM 1201 O ILE A 73 3.341 10.146 5.062 1.00 0.00 O ATOM 1202 CB ILE A 73 6.464 10.859 5.793 1.00 0.00 C ATOM 1203 CG1 ILE A 73 7.942 10.699 6.161 1.00 0.00 C ATOM 1204 CG2 ILE A 73 5.784 11.812 6.785 1.00 0.00 C ATOM 1205 CD1 ILE A 73 8.261 9.802 7.350 1.00 0.00 C ATOM 0 H ILE A 73 7.351 8.509 5.169 1.00 0.00 H new ATOM 0 HA ILE A 73 5.219 9.333 6.629 1.00 0.00 H new ATOM 0 HB ILE A 73 6.509 11.256 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.468 10.309 5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.351 11.689 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.387 12.713 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.796 12.081 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.685 11.320 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.340 9.773 7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.776 10.196 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.896 8.794 7.154 1.00 0.00 H new ATOM 1217 N SER A 74 4.799 9.874 3.361 1.00 0.00 N ATOM 1218 CA SER A 74 3.847 10.189 2.309 1.00 0.00 C ATOM 1219 C SER A 74 2.964 9.032 1.881 1.00 0.00 C ATOM 1220 O SER A 74 2.161 9.203 0.963 1.00 0.00 O ATOM 1221 CB SER A 74 4.543 10.863 1.125 1.00 0.00 C ATOM 1222 OG SER A 74 5.607 10.088 0.610 1.00 0.00 O ATOM 0 H SER A 74 5.731 9.641 3.019 1.00 0.00 H new ATOM 0 HA SER A 74 3.149 10.902 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.814 11.045 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.924 11.835 1.437 1.00 0.00 H new ATOM 0 HG SER A 74 6.303 9.992 1.294 1.00 0.00 H new ATOM 1228 N GLN A 75 3.060 7.887 2.556 1.00 0.00 N ATOM 1229 CA GLN A 75 2.171 6.767 2.318 1.00 0.00 C ATOM 1230 C GLN A 75 2.324 6.199 0.899 1.00 0.00 C ATOM 1231 O GLN A 75 1.363 5.607 0.407 1.00 0.00 O ATOM 1232 CB GLN A 75 0.723 7.203 2.640 1.00 0.00 C ATOM 1233 CG GLN A 75 0.607 8.206 3.817 1.00 0.00 C ATOM 1234 CD GLN A 75 0.186 9.618 3.410 1.00 0.00 C ATOM 1235 OE1 GLN A 75 -0.683 9.829 2.567 1.00 0.00 O ATOM 1236 NE2 GLN A 75 0.830 10.622 3.993 1.00 0.00 N ATOM 1237 OXT GLN A 75 3.393 6.348 0.311 1.00 0.00 O ATOM 0 H GLN A 75 3.757 7.717 3.281 1.00 0.00 H new ATOM 0 HA GLN A 75 2.440 5.944 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.285 7.653 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.132 6.317 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.114 7.819 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.569 8.260 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.549 10.430 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.606 11.585 3.743 1.00 0.00 H new TER 1246 GLN A 75