USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 2 GLN : amide:sc= 1.79 K(o=3.7,f=-1.6) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0) USER MOD Set 1.3: A 79 THR OG1 : rot 150:sc= 0.711 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.433 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 74 HIS : no HE2:sc= 0.191 K(o=0.62,f=-3.2!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -169:sc= 2.27 (180deg=0.96) USER MOD Set 3.2: A 66 GLN : amide:sc= 1.68 K(o=4,f=-3.3!) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.481 USER MOD Set 4.2: A 57 GLN : amide:sc= 0.302 K(o=0.78,f=-0.038) USER MOD Set 5.1: A 3 THR OG1 : rot -68:sc= 0.941 USER MOD Set 5.2: A 82 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0398 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 8 ASN : amide:sc= 0.0331 K(o=0.033,f=-1) USER MOD Single : A 9 GLN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : A 14 THR OG1 : rot -90:sc= -0.756 USER MOD Single : A 15 ASN : amide:sc= 0.623 K(o=0.62,f=-0.46) USER MOD Single : A 20 THR OG1 : rot 91:sc= 1.05 USER MOD Single : A 21 ASN : amide:sc= 0.0234 K(o=0.023,f=-4.1!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 79:sc= 1.23 USER MOD Single : A 27 MET CE :methyl 173:sc= 0 (180deg=-0.0669) USER MOD Single : A 30 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.091) USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.27) USER MOD Single : A 45 HIS : no HE2:sc= 0.391 K(o=0.39,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.362 USER MOD Single : A 58 SER OG : rot 136:sc= 0.951 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.698) USER MOD Single : A 76 MET CE :methyl -179:sc= -0.164 (180deg=-0.17) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.507 -5.635 -2.366 1.00 0.00 N ATOM 2 CA ALA A 1 11.040 -5.464 -2.295 1.00 0.00 C ATOM 3 C ALA A 1 10.702 -4.252 -1.426 1.00 0.00 C ATOM 4 O ALA A 1 11.402 -3.968 -0.450 1.00 0.00 O ATOM 5 CB ALA A 1 10.333 -6.725 -1.768 1.00 0.00 C ATOM 0 H1 ALA A 1 12.738 -6.649 -2.382 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.868 -5.184 -3.231 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.949 -5.193 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 1 10.674 -5.297 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.257 -6.552 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.544 -7.564 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.696 -6.954 -0.766 1.00 0.00 H new ATOM 13 N GLN A 2 9.644 -3.515 -1.786 1.00 0.00 N ATOM 14 CA GLN A 2 9.225 -2.333 -1.037 1.00 0.00 C ATOM 15 C GLN A 2 8.778 -2.731 0.375 1.00 0.00 C ATOM 16 O GLN A 2 8.137 -3.771 0.554 1.00 0.00 O ATOM 17 CB GLN A 2 8.074 -1.615 -1.764 1.00 0.00 C ATOM 18 CG GLN A 2 8.454 -1.047 -3.139 1.00 0.00 C ATOM 19 CD GLN A 2 7.438 0.002 -3.594 1.00 0.00 C ATOM 20 OE1 GLN A 2 6.474 -0.294 -4.298 1.00 0.00 O ATOM 21 NE2 GLN A 2 7.613 1.243 -3.167 1.00 0.00 N ATOM 0 H GLN A 2 9.062 -3.722 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 2 10.074 -1.653 -0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.246 -2.313 -1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.713 -0.802 -1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.447 -0.601 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.502 -1.854 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.418 1.473 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.943 1.969 -3.421 1.00 0.00 H new ATOM 30 N THR A 3 9.043 -1.865 1.354 1.00 0.00 N ATOM 31 CA THR A 3 8.529 -1.949 2.716 1.00 0.00 C ATOM 32 C THR A 3 8.308 -0.518 3.215 1.00 0.00 C ATOM 33 O THR A 3 8.987 0.407 2.765 1.00 0.00 O ATOM 34 CB THR A 3 9.511 -2.709 3.641 1.00 0.00 C ATOM 35 OG1 THR A 3 10.870 -2.391 3.383 1.00 0.00 O ATOM 36 CG2 THR A 3 9.385 -4.230 3.511 1.00 0.00 C ATOM 0 H THR A 3 9.646 -1.055 1.211 1.00 0.00 H new ATOM 0 HA THR A 3 7.592 -2.506 2.728 1.00 0.00 H new ATOM 0 HB THR A 3 9.231 -2.386 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.127 -2.741 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.096 -4.713 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.373 -4.535 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.596 -4.526 2.484 1.00 0.00 H new ATOM 44 N GLU A 4 7.391 -0.332 4.166 1.00 0.00 N ATOM 45 CA GLU A 4 7.226 0.928 4.880 1.00 0.00 C ATOM 46 C GLU A 4 7.824 0.711 6.268 1.00 0.00 C ATOM 47 O GLU A 4 7.598 -0.330 6.891 1.00 0.00 O ATOM 48 CB GLU A 4 5.745 1.330 4.936 1.00 0.00 C ATOM 49 CG GLU A 4 5.218 1.734 3.551 1.00 0.00 C ATOM 50 CD GLU A 4 3.750 2.189 3.618 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.488 3.396 3.820 1.00 0.00 O ATOM 52 OE2 GLU A 4 2.837 1.347 3.452 1.00 0.00 O ATOM 0 H GLU A 4 6.739 -1.059 4.462 1.00 0.00 H new ATOM 0 HA GLU A 4 7.734 1.751 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.156 0.498 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.618 2.160 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.832 2.539 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.308 0.891 2.866 1.00 0.00 H new ATOM 59 N GLN A 5 8.641 1.659 6.725 1.00 0.00 N ATOM 60 CA GLN A 5 9.477 1.578 7.920 1.00 0.00 C ATOM 61 C GLN A 5 9.622 3.001 8.485 1.00 0.00 C ATOM 62 O GLN A 5 9.346 3.965 7.761 1.00 0.00 O ATOM 63 CB GLN A 5 10.876 1.047 7.532 1.00 0.00 C ATOM 64 CG GLN A 5 10.942 -0.409 7.044 1.00 0.00 C ATOM 65 CD GLN A 5 10.697 -1.414 8.172 1.00 0.00 C ATOM 66 OE1 GLN A 5 11.623 -1.849 8.851 1.00 0.00 O ATOM 67 NE2 GLN A 5 9.455 -1.806 8.402 1.00 0.00 N ATOM 0 H GLN A 5 8.742 2.553 6.244 1.00 0.00 H new ATOM 0 HA GLN A 5 9.029 0.910 8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.280 1.689 6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.532 1.148 8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.201 -0.560 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.920 -0.597 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.691 -1.440 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.261 -2.474 9.148 1.00 0.00 H new ATOM 76 N PRO A 6 10.092 3.168 9.735 1.00 0.00 N ATOM 77 CA PRO A 6 10.669 4.430 10.187 1.00 0.00 C ATOM 78 C PRO A 6 11.758 4.932 9.212 1.00 0.00 C ATOM 79 O PRO A 6 12.372 4.109 8.522 1.00 0.00 O ATOM 80 CB PRO A 6 11.255 4.145 11.575 1.00 0.00 C ATOM 81 CG PRO A 6 10.466 2.930 12.061 1.00 0.00 C ATOM 82 CD PRO A 6 10.206 2.153 10.771 1.00 0.00 C ATOM 0 HA PRO A 6 9.918 5.219 10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.323 3.934 11.523 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.131 4.996 12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.035 2.340 12.780 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.537 3.221 12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.020 1.460 10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.294 1.560 10.845 1.00 0.00 H new ATOM 90 N PRO A 7 12.037 6.249 9.164 1.00 0.00 N ATOM 91 CA PRO A 7 13.099 6.818 8.341 1.00 0.00 C ATOM 92 C PRO A 7 14.435 6.079 8.483 1.00 0.00 C ATOM 93 O PRO A 7 14.839 5.711 9.591 1.00 0.00 O ATOM 94 CB PRO A 7 13.213 8.285 8.767 1.00 0.00 C ATOM 95 CG PRO A 7 11.799 8.618 9.234 1.00 0.00 C ATOM 96 CD PRO A 7 11.332 7.309 9.871 1.00 0.00 C ATOM 0 HA PRO A 7 12.853 6.721 7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.943 8.418 9.565 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.525 8.922 7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.793 9.440 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.158 8.914 8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.562 7.289 10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.253 7.191 9.776 1.00 0.00 H new ATOM 104 N ASN A 8 15.142 5.905 7.363 1.00 0.00 N ATOM 105 CA ASN A 8 16.466 5.292 7.281 1.00 0.00 C ATOM 106 C ASN A 8 17.224 5.991 6.141 1.00 0.00 C ATOM 107 O ASN A 8 16.602 6.555 5.239 1.00 0.00 O ATOM 108 CB ASN A 8 16.352 3.766 7.051 1.00 0.00 C ATOM 109 CG ASN A 8 16.287 3.429 5.575 1.00 0.00 C ATOM 110 OD1 ASN A 8 15.331 3.785 4.900 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.323 2.812 5.030 1.00 0.00 N ATOM 0 H ASN A 8 14.791 6.200 6.452 1.00 0.00 H new ATOM 0 HA ASN A 8 17.012 5.417 8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 8 17.208 3.264 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.461 3.387 7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.335 2.624 4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.109 2.524 5.612 1.00 0.00 H new ATOM 118 N GLN A 9 18.560 5.986 6.166 1.00 0.00 N ATOM 119 CA GLN A 9 19.395 6.785 5.254 1.00 0.00 C ATOM 120 C GLN A 9 19.578 6.183 3.844 1.00 0.00 C ATOM 121 O GLN A 9 20.448 6.638 3.100 1.00 0.00 O ATOM 122 CB GLN A 9 20.736 7.128 5.931 1.00 0.00 C ATOM 123 CG GLN A 9 21.709 5.945 6.071 1.00 0.00 C ATOM 124 CD GLN A 9 23.004 6.360 6.769 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.285 5.946 7.891 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.819 7.183 6.130 1.00 0.00 N ATOM 0 H GLN A 9 19.100 5.424 6.824 1.00 0.00 H new ATOM 0 HA GLN A 9 18.847 7.708 5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.225 7.916 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.533 7.533 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.231 5.145 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.940 5.544 5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.576 7.521 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.691 7.480 6.569 1.00 0.00 H new ATOM 135 N ILE A 10 18.816 5.153 3.462 1.00 0.00 N ATOM 136 CA ILE A 10 18.933 4.485 2.164 1.00 0.00 C ATOM 137 C ILE A 10 17.505 4.206 1.703 1.00 0.00 C ATOM 138 O ILE A 10 16.743 3.602 2.449 1.00 0.00 O ATOM 139 CB ILE A 10 19.749 3.165 2.260 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.088 3.328 3.018 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.993 2.595 0.847 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.902 2.035 3.159 1.00 0.00 C ATOM 0 H ILE A 10 18.089 4.754 4.056 1.00 0.00 H new ATOM 0 HA ILE A 10 19.471 5.116 1.456 1.00 0.00 H new ATOM 0 HB ILE A 10 19.152 2.465 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.696 4.070 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.882 3.723 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.565 1.670 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.036 2.392 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.550 3.320 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.824 2.243 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.317 1.295 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.144 1.648 2.169 1.00 0.00 H new ATOM 154 N LEU A 11 17.121 4.603 0.496 1.00 0.00 N ATOM 155 CA LEU A 11 15.795 4.319 -0.032 1.00 0.00 C ATOM 156 C LEU A 11 15.904 3.210 -1.069 1.00 0.00 C ATOM 157 O LEU A 11 16.940 3.070 -1.721 1.00 0.00 O ATOM 158 CB LEU A 11 15.164 5.559 -0.686 1.00 0.00 C ATOM 159 CG LEU A 11 14.952 6.815 0.179 1.00 0.00 C ATOM 160 CD1 LEU A 11 14.466 6.528 1.603 1.00 0.00 C ATOM 161 CD2 LEU A 11 16.186 7.727 0.181 1.00 0.00 C ATOM 0 H LEU A 11 17.719 5.129 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 11 15.157 4.014 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.788 5.841 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.194 5.265 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 11 14.134 7.350 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.343 7.468 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.510 6.005 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.198 5.907 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.992 8.600 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.041 7.181 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.402 8.048 -0.838 1.00 0.00 H new ATOM 173 N PHE A 12 14.811 2.472 -1.250 1.00 0.00 N ATOM 174 CA PHE A 12 14.613 1.515 -2.324 1.00 0.00 C ATOM 175 C PHE A 12 13.507 2.096 -3.191 1.00 0.00 C ATOM 176 O PHE A 12 12.512 2.608 -2.668 1.00 0.00 O ATOM 177 CB PHE A 12 14.193 0.147 -1.775 1.00 0.00 C ATOM 178 CG PHE A 12 13.792 -0.831 -2.869 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.751 -1.291 -3.791 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.452 -1.234 -3.012 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.389 -2.186 -4.813 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.089 -2.142 -4.023 1.00 0.00 C ATOM 183 CZ PHE A 12 13.058 -2.622 -4.924 1.00 0.00 C ATOM 0 H PHE A 12 14.008 2.531 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 12 15.534 1.357 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.016 -0.277 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.358 0.278 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.774 -0.953 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.699 -0.845 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.133 -2.538 -5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.064 -2.472 -4.108 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.780 -3.323 -5.697 1.00 0.00 H new ATOM 193 N LEU A 13 13.691 2.054 -4.505 1.00 0.00 N ATOM 194 CA LEU A 13 12.851 2.741 -5.467 1.00 0.00 C ATOM 195 C LEU A 13 12.390 1.746 -6.518 1.00 0.00 C ATOM 196 O LEU A 13 13.116 0.807 -6.851 1.00 0.00 O ATOM 197 CB LEU A 13 13.613 3.872 -6.172 1.00 0.00 C ATOM 198 CG LEU A 13 13.748 5.187 -5.391 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.684 5.088 -4.184 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.281 6.264 -6.335 1.00 0.00 C ATOM 0 H LEU A 13 14.449 1.527 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 13 12.004 3.171 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.613 3.513 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.114 4.084 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 13 12.758 5.433 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.731 6.053 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.307 4.335 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.682 4.805 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.382 7.205 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.254 5.961 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.587 6.396 -7.165 1.00 0.00 H new ATOM 212 N THR A 14 11.212 2.010 -7.077 1.00 0.00 N ATOM 213 CA THR A 14 10.547 1.185 -8.080 1.00 0.00 C ATOM 214 C THR A 14 9.822 2.082 -9.103 1.00 0.00 C ATOM 215 O THR A 14 9.779 3.309 -8.951 1.00 0.00 O ATOM 216 CB THR A 14 9.593 0.189 -7.378 1.00 0.00 C ATOM 217 OG1 THR A 14 8.764 0.835 -6.433 1.00 0.00 O ATOM 218 CG2 THR A 14 10.316 -0.918 -6.613 1.00 0.00 C ATOM 0 H THR A 14 10.672 2.840 -6.832 1.00 0.00 H new ATOM 0 HA THR A 14 11.280 0.600 -8.635 1.00 0.00 H new ATOM 0 HB THR A 14 9.017 -0.241 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.206 0.838 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.583 -1.577 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.935 -1.493 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.947 -0.475 -5.842 1.00 0.00 H new ATOM 226 N ASN A 15 9.235 1.464 -10.138 1.00 0.00 N ATOM 227 CA ASN A 15 8.516 2.111 -11.244 1.00 0.00 C ATOM 228 C ASN A 15 9.332 3.209 -11.946 1.00 0.00 C ATOM 229 O ASN A 15 8.787 4.197 -12.442 1.00 0.00 O ATOM 230 CB ASN A 15 7.129 2.587 -10.781 1.00 0.00 C ATOM 231 CG ASN A 15 6.219 2.934 -11.959 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.055 2.145 -12.885 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.581 4.092 -11.938 1.00 0.00 N ATOM 0 H ASN A 15 9.250 0.448 -10.231 1.00 0.00 H new ATOM 0 HA ASN A 15 8.363 1.357 -12.016 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.661 1.808 -10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.241 3.461 -10.140 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.945 4.338 -12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.725 4.740 -11.163 1.00 0.00 H new ATOM 240 N LEU A 16 10.656 3.050 -11.966 1.00 0.00 N ATOM 241 CA LEU A 16 11.569 3.920 -12.701 1.00 0.00 C ATOM 242 C LEU A 16 11.464 3.608 -14.205 1.00 0.00 C ATOM 243 O LEU A 16 10.988 2.522 -14.558 1.00 0.00 O ATOM 244 CB LEU A 16 13.016 3.684 -12.227 1.00 0.00 C ATOM 245 CG LEU A 16 13.244 3.670 -10.708 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.700 3.331 -10.407 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.904 5.024 -10.084 1.00 0.00 C ATOM 0 H LEU A 16 11.130 2.300 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 16 11.301 4.961 -12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.357 2.731 -12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.648 4.459 -12.660 1.00 0.00 H new ATOM 0 HG LEU A 16 12.587 2.914 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.856 3.322 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.937 2.349 -10.816 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.349 4.079 -10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.076 4.982 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.536 5.796 -10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.857 5.260 -10.276 1.00 0.00 H new ATOM 259 N PRO A 17 11.908 4.512 -15.098 1.00 0.00 N ATOM 260 CA PRO A 17 12.061 4.214 -16.516 1.00 0.00 C ATOM 261 C PRO A 17 12.865 2.923 -16.719 1.00 0.00 C ATOM 262 O PRO A 17 13.825 2.658 -15.990 1.00 0.00 O ATOM 263 CB PRO A 17 12.781 5.415 -17.132 1.00 0.00 C ATOM 264 CG PRO A 17 12.484 6.563 -16.175 1.00 0.00 C ATOM 265 CD PRO A 17 12.229 5.900 -14.823 1.00 0.00 C ATOM 0 HA PRO A 17 11.094 4.053 -16.992 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.853 5.235 -17.217 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.412 5.628 -18.135 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.322 7.258 -16.121 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.616 7.135 -16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.108 5.975 -14.182 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.409 6.391 -14.299 1.00 0.00 H new ATOM 273 N GLU A 18 12.565 2.166 -17.774 1.00 0.00 N ATOM 274 CA GLU A 18 13.328 0.970 -18.149 1.00 0.00 C ATOM 275 C GLU A 18 14.726 1.322 -18.691 1.00 0.00 C ATOM 276 O GLU A 18 15.493 0.432 -19.065 1.00 0.00 O ATOM 277 CB GLU A 18 12.526 0.137 -19.164 1.00 0.00 C ATOM 278 CG GLU A 18 11.221 -0.412 -18.567 1.00 0.00 C ATOM 279 CD GLU A 18 10.483 -1.319 -19.566 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.677 -0.813 -20.380 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.685 -2.555 -19.542 1.00 0.00 O ATOM 0 H GLU A 18 11.782 2.364 -18.397 1.00 0.00 H new ATOM 0 HA GLU A 18 13.487 0.373 -17.251 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.294 0.752 -20.033 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.140 -0.693 -19.515 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.443 -0.973 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.574 0.417 -18.279 1.00 0.00 H new ATOM 288 N GLU A 19 15.070 2.611 -18.718 1.00 0.00 N ATOM 289 CA GLU A 19 16.275 3.173 -19.290 1.00 0.00 C ATOM 290 C GLU A 19 17.013 4.059 -18.266 1.00 0.00 C ATOM 291 O GLU A 19 17.922 4.807 -18.632 1.00 0.00 O ATOM 292 CB GLU A 19 15.922 3.954 -20.572 1.00 0.00 C ATOM 293 CG GLU A 19 15.065 3.156 -21.569 1.00 0.00 C ATOM 294 CD GLU A 19 14.910 3.906 -22.905 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.983 4.735 -23.043 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.703 3.661 -23.843 1.00 0.00 O ATOM 0 H GLU A 19 14.469 3.329 -18.312 1.00 0.00 H new ATOM 0 HA GLU A 19 16.956 2.364 -19.556 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.389 4.864 -20.297 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.844 4.261 -21.065 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.523 2.183 -21.747 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.081 2.971 -21.138 1.00 0.00 H new ATOM 303 N THR A 20 16.607 4.016 -16.990 1.00 0.00 N ATOM 304 CA THR A 20 17.221 4.792 -15.915 1.00 0.00 C ATOM 305 C THR A 20 18.693 4.393 -15.768 1.00 0.00 C ATOM 306 O THR A 20 19.065 3.234 -15.979 1.00 0.00 O ATOM 307 CB THR A 20 16.448 4.563 -14.604 1.00 0.00 C ATOM 308 OG1 THR A 20 15.075 4.718 -14.841 1.00 0.00 O ATOM 309 CG2 THR A 20 16.790 5.578 -13.510 1.00 0.00 C ATOM 0 H THR A 20 15.832 3.432 -16.676 1.00 0.00 H new ATOM 0 HA THR A 20 17.178 5.854 -16.155 1.00 0.00 H new ATOM 0 HB THR A 20 16.723 3.562 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.685 3.852 -15.083 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.209 5.357 -12.614 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.853 5.518 -13.277 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.551 6.583 -13.859 1.00 0.00 H new ATOM 317 N ASN A 21 19.520 5.350 -15.354 1.00 0.00 N ATOM 318 CA ASN A 21 20.899 5.131 -14.952 1.00 0.00 C ATOM 319 C ASN A 21 21.144 5.929 -13.672 1.00 0.00 C ATOM 320 O ASN A 21 20.288 6.709 -13.243 1.00 0.00 O ATOM 321 CB ASN A 21 21.884 5.491 -16.081 1.00 0.00 C ATOM 322 CG ASN A 21 22.181 6.983 -16.240 1.00 0.00 C ATOM 323 OD1 ASN A 21 21.421 7.849 -15.822 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.314 7.317 -16.831 1.00 0.00 N ATOM 0 H ASN A 21 19.236 6.328 -15.289 1.00 0.00 H new ATOM 0 HA ASN A 21 21.073 4.074 -14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.823 4.968 -15.902 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.484 5.115 -17.023 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.561 8.300 -16.942 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.942 6.591 -17.177 1.00 0.00 H new ATOM 331 N GLU A 22 22.309 5.733 -13.053 1.00 0.00 N ATOM 332 CA GLU A 22 22.644 6.383 -11.785 1.00 0.00 C ATOM 333 C GLU A 22 22.614 7.899 -11.939 1.00 0.00 C ATOM 334 O GLU A 22 22.150 8.600 -11.042 1.00 0.00 O ATOM 335 CB GLU A 22 24.023 5.915 -11.287 1.00 0.00 C ATOM 336 CG GLU A 22 24.052 4.399 -11.050 1.00 0.00 C ATOM 337 CD GLU A 22 25.402 3.846 -10.543 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.435 4.554 -10.561 1.00 0.00 O ATOM 339 OE2 GLU A 22 25.441 2.652 -10.169 1.00 0.00 O ATOM 0 H GLU A 22 23.043 5.123 -13.414 1.00 0.00 H new ATOM 0 HA GLU A 22 21.898 6.099 -11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.785 6.184 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.272 6.434 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 22 23.277 4.144 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.797 3.895 -11.982 1.00 0.00 H new ATOM 346 N MET A 23 23.075 8.401 -13.086 1.00 0.00 N ATOM 347 CA MET A 23 23.200 9.834 -13.338 1.00 0.00 C ATOM 348 C MET A 23 21.849 10.550 -13.269 1.00 0.00 C ATOM 349 O MET A 23 21.783 11.639 -12.700 1.00 0.00 O ATOM 350 CB MET A 23 23.903 10.086 -14.681 1.00 0.00 C ATOM 351 CG MET A 23 24.294 11.559 -14.854 1.00 0.00 C ATOM 352 SD MET A 23 25.160 11.911 -16.407 1.00 0.00 S ATOM 353 CE MET A 23 25.401 13.699 -16.214 1.00 0.00 C ATOM 0 H MET A 23 23.373 7.820 -13.869 1.00 0.00 H new ATOM 0 HA MET A 23 23.817 10.256 -12.545 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.795 9.463 -14.746 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.245 9.787 -15.497 1.00 0.00 H new ATOM 0 HG2 MET A 23 23.394 12.172 -14.804 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.929 11.857 -14.020 1.00 0.00 H new ATOM 0 HE1 MET A 23 25.924 14.092 -17.086 1.00 0.00 H new ATOM 0 HE2 MET A 23 24.432 14.189 -16.121 1.00 0.00 H new ATOM 0 HE3 MET A 23 25.992 13.892 -15.319 1.00 0.00 H new ATOM 363 N MET A 24 20.778 9.950 -13.798 1.00 0.00 N ATOM 364 CA MET A 24 19.445 10.559 -13.784 1.00 0.00 C ATOM 365 C MET A 24 19.008 10.835 -12.350 1.00 0.00 C ATOM 366 O MET A 24 18.696 11.967 -11.973 1.00 0.00 O ATOM 367 CB MET A 24 18.408 9.651 -14.473 1.00 0.00 C ATOM 368 CG MET A 24 18.508 9.669 -15.997 1.00 0.00 C ATOM 369 SD MET A 24 18.093 11.257 -16.772 1.00 0.00 S ATOM 370 CE MET A 24 18.357 10.814 -18.511 1.00 0.00 C ATOM 0 H MET A 24 20.810 9.034 -14.245 1.00 0.00 H new ATOM 0 HA MET A 24 19.502 11.497 -14.336 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.539 8.628 -14.119 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.407 9.965 -14.178 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.524 9.396 -16.283 1.00 0.00 H new ATOM 0 HG3 MET A 24 17.847 8.901 -16.399 1.00 0.00 H new ATOM 0 HE1 MET A 24 18.147 11.677 -19.142 1.00 0.00 H new ATOM 0 HE2 MET A 24 19.392 10.503 -18.654 1.00 0.00 H new ATOM 0 HE3 MET A 24 17.691 9.995 -18.783 1.00 0.00 H new ATOM 380 N LEU A 25 19.014 9.789 -11.525 1.00 0.00 N ATOM 381 CA LEU A 25 18.556 9.928 -10.153 1.00 0.00 C ATOM 382 C LEU A 25 19.556 10.742 -9.341 1.00 0.00 C ATOM 383 O LEU A 25 19.140 11.438 -8.424 1.00 0.00 O ATOM 384 CB LEU A 25 18.332 8.567 -9.490 1.00 0.00 C ATOM 385 CG LEU A 25 17.273 7.672 -10.155 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.014 6.469 -9.242 1.00 0.00 C ATOM 387 CD2 LEU A 25 15.966 8.423 -10.427 1.00 0.00 C ATOM 0 H LEU A 25 19.326 8.852 -11.781 1.00 0.00 H new ATOM 0 HA LEU A 25 17.600 10.450 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.280 8.029 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.043 8.731 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 25 17.653 7.345 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.265 5.821 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.940 5.911 -9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.653 6.818 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.250 7.749 -10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.555 8.790 -9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.162 9.265 -11.091 1.00 0.00 H new ATOM 399 N SER A 26 20.849 10.710 -9.672 1.00 0.00 N ATOM 400 CA SER A 26 21.832 11.545 -8.995 1.00 0.00 C ATOM 401 C SER A 26 21.495 13.011 -9.240 1.00 0.00 C ATOM 402 O SER A 26 21.441 13.792 -8.296 1.00 0.00 O ATOM 403 CB SER A 26 23.256 11.222 -9.460 1.00 0.00 C ATOM 404 OG SER A 26 23.573 9.865 -9.214 1.00 0.00 O ATOM 0 H SER A 26 21.235 10.114 -10.404 1.00 0.00 H new ATOM 0 HA SER A 26 21.794 11.340 -7.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.352 11.435 -10.525 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.967 11.865 -8.941 1.00 0.00 H new ATOM 0 HG SER A 26 23.165 9.303 -9.906 1.00 0.00 H new ATOM 410 N MET A 27 21.186 13.379 -10.485 1.00 0.00 N ATOM 411 CA MET A 27 20.775 14.724 -10.839 1.00 0.00 C ATOM 412 C MET A 27 19.500 15.110 -10.080 1.00 0.00 C ATOM 413 O MET A 27 19.409 16.234 -9.587 1.00 0.00 O ATOM 414 CB MET A 27 20.602 14.787 -12.363 1.00 0.00 C ATOM 415 CG MET A 27 20.253 16.184 -12.870 1.00 0.00 C ATOM 416 SD MET A 27 21.431 17.513 -12.477 1.00 0.00 S ATOM 417 CE MET A 27 22.908 16.925 -13.354 1.00 0.00 C ATOM 0 H MET A 27 21.217 12.739 -11.279 1.00 0.00 H new ATOM 0 HA MET A 27 21.533 15.452 -10.548 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.523 14.453 -12.841 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.817 14.092 -12.662 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.144 16.135 -13.953 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.280 16.460 -12.464 1.00 0.00 H new ATOM 0 HE1 MET A 27 23.683 17.690 -13.315 1.00 0.00 H new ATOM 0 HE2 MET A 27 23.273 16.014 -12.881 1.00 0.00 H new ATOM 0 HE3 MET A 27 22.655 16.718 -14.394 1.00 0.00 H new ATOM 427 N LEU A 28 18.531 14.191 -9.946 1.00 0.00 N ATOM 428 CA LEU A 28 17.292 14.491 -9.227 1.00 0.00 C ATOM 429 C LEU A 28 17.521 14.664 -7.724 1.00 0.00 C ATOM 430 O LEU A 28 17.100 15.671 -7.155 1.00 0.00 O ATOM 431 CB LEU A 28 16.214 13.422 -9.486 1.00 0.00 C ATOM 432 CG LEU A 28 15.668 13.400 -10.929 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.658 12.258 -11.078 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.991 14.718 -11.331 1.00 0.00 C ATOM 0 H LEU A 28 18.584 13.245 -10.323 1.00 0.00 H new ATOM 0 HA LEU A 28 16.933 15.443 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.629 12.442 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.384 13.588 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 28 16.523 13.254 -11.589 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.273 12.243 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.148 11.309 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.834 12.408 -10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.627 14.642 -12.356 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.153 14.916 -10.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.711 15.533 -11.261 1.00 0.00 H new ATOM 446 N PHE A 29 18.168 13.702 -7.068 1.00 0.00 N ATOM 447 CA PHE A 29 18.249 13.666 -5.611 1.00 0.00 C ATOM 448 C PHE A 29 19.383 14.533 -5.053 1.00 0.00 C ATOM 449 O PHE A 29 19.265 15.007 -3.925 1.00 0.00 O ATOM 450 CB PHE A 29 18.412 12.220 -5.122 1.00 0.00 C ATOM 451 CG PHE A 29 17.143 11.390 -5.088 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.645 10.773 -6.251 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.471 11.201 -3.865 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.487 9.981 -6.189 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.307 10.419 -3.802 1.00 0.00 C ATOM 456 CZ PHE A 29 14.812 9.814 -4.968 1.00 0.00 C ATOM 0 H PHE A 29 18.648 12.930 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 29 17.313 14.082 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.135 11.718 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.837 12.241 -4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.155 10.909 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.855 11.662 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.115 9.500 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.795 10.283 -2.861 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.911 9.219 -4.927 1.00 0.00 H new ATOM 466 N ASN A 30 20.468 14.787 -5.795 1.00 0.00 N ATOM 467 CA ASN A 30 21.590 15.592 -5.287 1.00 0.00 C ATOM 468 C ASN A 30 21.192 17.054 -5.018 1.00 0.00 C ATOM 469 O ASN A 30 21.936 17.796 -4.379 1.00 0.00 O ATOM 470 CB ASN A 30 22.797 15.515 -6.228 1.00 0.00 C ATOM 471 CG ASN A 30 24.015 16.264 -5.688 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.491 15.994 -4.589 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.561 17.200 -6.448 1.00 0.00 N ATOM 0 H ASN A 30 20.594 14.448 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 30 21.876 15.161 -4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.061 14.470 -6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.523 15.928 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.385 17.705 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.158 17.416 -7.359 1.00 0.00 H new ATOM 480 N GLN A 31 20.009 17.477 -5.482 1.00 0.00 N ATOM 481 CA GLN A 31 19.419 18.763 -5.138 1.00 0.00 C ATOM 482 C GLN A 31 19.261 18.920 -3.617 1.00 0.00 C ATOM 483 O GLN A 31 19.342 20.043 -3.113 1.00 0.00 O ATOM 484 CB GLN A 31 18.054 18.919 -5.828 1.00 0.00 C ATOM 485 CG GLN A 31 18.156 18.942 -7.361 1.00 0.00 C ATOM 486 CD GLN A 31 16.785 19.145 -8.008 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.445 20.237 -8.461 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.963 18.110 -8.055 1.00 0.00 N ATOM 0 H GLN A 31 19.432 16.923 -6.115 1.00 0.00 H new ATOM 0 HA GLN A 31 20.093 19.545 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.404 18.098 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.584 19.841 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.828 19.742 -7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.591 18.006 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.255 17.209 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.037 18.213 -8.470 1.00 0.00 H new ATOM 497 N PHE A 32 19.043 17.824 -2.881 1.00 0.00 N ATOM 498 CA PHE A 32 18.906 17.851 -1.429 1.00 0.00 C ATOM 499 C PHE A 32 20.309 17.764 -0.808 1.00 0.00 C ATOM 500 O PHE A 32 21.093 16.908 -1.231 1.00 0.00 O ATOM 501 CB PHE A 32 18.015 16.687 -0.967 1.00 0.00 C ATOM 502 CG PHE A 32 16.711 16.575 -1.745 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.761 17.616 -1.714 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.486 15.463 -2.578 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.618 17.552 -2.534 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.346 15.397 -3.390 1.00 0.00 C ATOM 507 CZ PHE A 32 14.421 16.450 -3.383 1.00 0.00 C ATOM 0 H PHE A 32 18.957 16.891 -3.283 1.00 0.00 H new ATOM 0 HA PHE A 32 18.431 18.777 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.569 15.754 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.788 16.812 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.910 18.463 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.199 14.652 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.892 18.351 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.180 14.536 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.557 16.414 -4.030 1.00 0.00 H new ATOM 517 N PRO A 33 20.643 18.584 0.209 1.00 0.00 N ATOM 518 CA PRO A 33 21.990 18.703 0.779 1.00 0.00 C ATOM 519 C PRO A 33 22.381 17.518 1.693 1.00 0.00 C ATOM 520 O PRO A 33 23.079 17.694 2.696 1.00 0.00 O ATOM 521 CB PRO A 33 21.990 20.066 1.489 1.00 0.00 C ATOM 522 CG PRO A 33 20.547 20.215 1.958 1.00 0.00 C ATOM 523 CD PRO A 33 19.759 19.574 0.818 1.00 0.00 C ATOM 0 HA PRO A 33 22.760 18.657 0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.689 20.084 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.279 20.872 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.374 19.706 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.273 21.260 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.849 19.104 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.454 20.323 0.088 1.00 0.00 H new ATOM 531 N GLY A 34 21.941 16.304 1.358 1.00 0.00 N ATOM 532 CA GLY A 34 22.226 15.080 2.093 1.00 0.00 C ATOM 533 C GLY A 34 22.472 13.874 1.200 1.00 0.00 C ATOM 534 O GLY A 34 22.858 12.833 1.727 1.00 0.00 O ATOM 0 H GLY A 34 21.356 16.145 0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.102 15.240 2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.391 14.864 2.759 1.00 0.00 H new ATOM 538 N PHE A 35 22.262 13.973 -0.116 1.00 0.00 N ATOM 539 CA PHE A 35 22.524 12.906 -1.062 1.00 0.00 C ATOM 540 C PHE A 35 23.973 12.429 -0.962 1.00 0.00 C ATOM 541 O PHE A 35 24.885 13.217 -0.689 1.00 0.00 O ATOM 542 CB PHE A 35 22.245 13.480 -2.450 1.00 0.00 C ATOM 543 CG PHE A 35 22.647 12.602 -3.614 1.00 0.00 C ATOM 544 CD1 PHE A 35 23.936 12.712 -4.171 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.728 11.691 -4.157 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.300 11.913 -5.268 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.083 10.907 -5.261 1.00 0.00 C ATOM 548 CZ PHE A 35 23.369 11.015 -5.812 1.00 0.00 C ATOM 0 H PHE A 35 21.897 14.819 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 35 21.892 12.042 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.178 13.691 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.766 14.433 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.646 13.411 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.744 11.595 -3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.291 11.990 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.368 10.220 -5.688 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.644 10.404 -6.659 1.00 0.00 H new ATOM 558 N LYS A 36 24.180 11.150 -1.277 1.00 0.00 N ATOM 559 CA LYS A 36 25.505 10.555 -1.427 1.00 0.00 C ATOM 560 C LYS A 36 25.615 9.733 -2.708 1.00 0.00 C ATOM 561 O LYS A 36 26.583 9.947 -3.438 1.00 0.00 O ATOM 562 CB LYS A 36 25.895 9.694 -0.213 1.00 0.00 C ATOM 563 CG LYS A 36 25.905 10.471 1.115 1.00 0.00 C ATOM 564 CD LYS A 36 26.691 9.771 2.236 1.00 0.00 C ATOM 565 CE LYS A 36 26.291 8.302 2.456 1.00 0.00 C ATOM 566 NZ LYS A 36 27.131 7.641 3.488 1.00 0.00 N ATOM 0 H LYS A 36 23.419 10.490 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 36 26.206 11.387 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.198 8.860 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.884 9.268 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.334 11.458 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.877 10.623 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.755 9.816 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.545 10.320 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 36 25.244 8.253 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 26.379 7.758 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.826 6.653 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.127 7.664 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 27.028 8.143 4.393 1.00 0.00 H new ATOM 580 N GLU A 37 24.693 8.803 -2.996 1.00 0.00 N ATOM 581 CA GLU A 37 24.902 7.865 -4.110 1.00 0.00 C ATOM 582 C GLU A 37 23.582 7.284 -4.644 1.00 0.00 C ATOM 583 O GLU A 37 22.549 7.364 -3.979 1.00 0.00 O ATOM 584 CB GLU A 37 25.880 6.755 -3.642 1.00 0.00 C ATOM 585 CG GLU A 37 26.458 5.905 -4.786 1.00 0.00 C ATOM 586 CD GLU A 37 27.749 5.175 -4.381 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.664 4.044 -3.850 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.856 5.718 -4.602 1.00 0.00 O ATOM 0 H GLU A 37 23.817 8.680 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 37 25.339 8.403 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.702 7.217 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.361 6.099 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.715 5.173 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.660 6.546 -5.644 1.00 0.00 H new ATOM 595 N VAL A 38 23.633 6.656 -5.824 1.00 0.00 N ATOM 596 CA VAL A 38 22.562 5.877 -6.447 1.00 0.00 C ATOM 597 C VAL A 38 23.170 4.547 -6.898 1.00 0.00 C ATOM 598 O VAL A 38 24.323 4.506 -7.331 1.00 0.00 O ATOM 599 CB VAL A 38 21.979 6.624 -7.667 1.00 0.00 C ATOM 600 CG1 VAL A 38 20.852 5.830 -8.346 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.442 8.003 -7.286 1.00 0.00 C ATOM 0 H VAL A 38 24.473 6.681 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 38 21.751 5.719 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 38 22.807 6.739 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.472 6.394 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.239 4.870 -8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.045 5.662 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.041 8.495 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.652 7.893 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.249 8.606 -6.870 1.00 0.00 H new ATOM 611 N ARG A 39 22.383 3.470 -6.832 1.00 0.00 N ATOM 612 CA ARG A 39 22.767 2.123 -7.232 1.00 0.00 C ATOM 613 C ARG A 39 21.573 1.543 -7.992 1.00 0.00 C ATOM 614 O ARG A 39 20.601 1.103 -7.375 1.00 0.00 O ATOM 615 CB ARG A 39 23.172 1.297 -5.987 1.00 0.00 C ATOM 616 CG ARG A 39 24.334 1.948 -5.210 1.00 0.00 C ATOM 617 CD ARG A 39 24.731 1.205 -3.932 1.00 0.00 C ATOM 618 NE ARG A 39 25.697 2.024 -3.175 1.00 0.00 N ATOM 619 CZ ARG A 39 25.607 2.440 -1.906 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.664 2.006 -1.079 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.492 3.332 -1.489 1.00 0.00 N ATOM 0 H ARG A 39 21.425 3.519 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 39 23.642 2.110 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.311 1.191 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.462 0.293 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.203 2.011 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.055 2.969 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.849 1.007 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.171 0.239 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 39 26.536 2.308 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.973 1.330 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.631 2.348 -0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.208 3.677 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.457 3.674 -0.529 1.00 0.00 H new ATOM 635 N LEU A 40 21.587 1.639 -9.326 1.00 0.00 N ATOM 636 CA LEU A 40 20.598 0.985 -10.183 1.00 0.00 C ATOM 637 C LEU A 40 20.816 -0.526 -10.112 1.00 0.00 C ATOM 638 O LEU A 40 21.850 -1.006 -9.640 1.00 0.00 O ATOM 639 CB LEU A 40 20.718 1.466 -11.656 1.00 0.00 C ATOM 640 CG LEU A 40 19.841 2.670 -12.049 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.372 2.273 -12.184 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.987 3.853 -11.093 1.00 0.00 C ATOM 0 H LEU A 40 22.287 2.174 -9.841 1.00 0.00 H new ATOM 0 HA LEU A 40 19.599 1.244 -9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.760 1.723 -11.849 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.468 0.631 -12.311 1.00 0.00 H new ATOM 0 HG LEU A 40 20.206 2.998 -13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.783 3.147 -12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.271 1.508 -12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.012 1.881 -11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.345 4.669 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.697 3.547 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.024 4.188 -11.085 1.00 0.00 H new ATOM 654 N VAL A 41 19.861 -1.267 -10.666 1.00 0.00 N ATOM 655 CA VAL A 41 19.974 -2.698 -10.897 1.00 0.00 C ATOM 656 C VAL A 41 20.115 -2.851 -12.420 1.00 0.00 C ATOM 657 O VAL A 41 19.115 -2.722 -13.122 1.00 0.00 O ATOM 658 CB VAL A 41 18.766 -3.430 -10.270 1.00 0.00 C ATOM 659 CG1 VAL A 41 18.848 -4.946 -10.496 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.702 -3.169 -8.753 1.00 0.00 C ATOM 0 H VAL A 41 18.969 -0.878 -10.972 1.00 0.00 H new ATOM 0 HA VAL A 41 20.837 -3.160 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 41 17.871 -3.042 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.983 -5.429 -10.042 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.860 -5.154 -11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.760 -5.333 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.845 -3.693 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.617 -3.530 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.599 -2.099 -8.572 1.00 0.00 H new ATOM 670 N PRO A 42 21.322 -3.081 -12.976 1.00 0.00 N ATOM 671 CA PRO A 42 21.606 -3.039 -14.420 1.00 0.00 C ATOM 672 C PRO A 42 21.050 -4.227 -15.236 1.00 0.00 C ATOM 673 O PRO A 42 21.547 -4.564 -16.312 1.00 0.00 O ATOM 674 CB PRO A 42 23.127 -2.862 -14.532 1.00 0.00 C ATOM 675 CG PRO A 42 23.648 -3.516 -13.258 1.00 0.00 C ATOM 676 CD PRO A 42 22.573 -3.145 -12.241 1.00 0.00 C ATOM 0 HA PRO A 42 21.073 -2.208 -14.882 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.524 -3.346 -15.424 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.407 -1.810 -14.588 1.00 0.00 H new ATOM 0 HG2 PRO A 42 23.750 -4.596 -13.367 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.627 -3.131 -12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.519 -3.887 -11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.797 -2.188 -11.770 1.00 0.00 H new ATOM 684 N ASN A 43 20.000 -4.851 -14.711 1.00 0.00 N ATOM 685 CA ASN A 43 19.152 -5.854 -15.345 1.00 0.00 C ATOM 686 C ASN A 43 17.651 -5.608 -15.091 1.00 0.00 C ATOM 687 O ASN A 43 16.820 -6.247 -15.735 1.00 0.00 O ATOM 688 CB ASN A 43 19.560 -7.277 -14.925 1.00 0.00 C ATOM 689 CG ASN A 43 19.190 -7.598 -13.479 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.050 -7.931 -13.171 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.134 -7.490 -12.561 1.00 0.00 N ATOM 0 H ASN A 43 19.697 -4.653 -13.757 1.00 0.00 H new ATOM 0 HA ASN A 43 19.308 -5.759 -16.420 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.079 -7.998 -15.586 1.00 0.00 H new ATOM 0 HB3 ASN A 43 20.636 -7.394 -15.054 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.919 -7.684 -11.583 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.078 -7.212 -12.830 1.00 0.00 H new ATOM 698 N ARG A 44 17.285 -4.665 -14.211 1.00 0.00 N ATOM 699 CA ARG A 44 15.943 -4.176 -13.961 1.00 0.00 C ATOM 700 C ARG A 44 16.115 -2.703 -13.613 1.00 0.00 C ATOM 701 O ARG A 44 16.005 -2.317 -12.452 1.00 0.00 O ATOM 702 CB ARG A 44 15.272 -4.949 -12.810 1.00 0.00 C ATOM 703 CG ARG A 44 14.498 -6.188 -13.273 1.00 0.00 C ATOM 704 CD ARG A 44 13.524 -6.639 -12.179 1.00 0.00 C ATOM 705 NE ARG A 44 12.457 -5.646 -11.958 1.00 0.00 N ATOM 706 CZ ARG A 44 11.396 -5.800 -11.156 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.217 -6.932 -10.478 1.00 0.00 N ATOM 708 NH2 ARG A 44 10.518 -4.814 -11.034 1.00 0.00 N ATOM 0 H ARG A 44 17.974 -4.199 -13.621 1.00 0.00 H new ATOM 0 HA ARG A 44 15.294 -4.314 -14.826 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.036 -5.254 -12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.591 -4.281 -12.283 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.950 -5.963 -14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.193 -6.994 -13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.080 -7.595 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.070 -6.800 -11.249 1.00 0.00 H new ATOM 0 HE ARG A 44 12.534 -4.762 -12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.892 -7.692 -10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.405 -7.039 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.653 -3.944 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.708 -4.925 -10.425 1.00 0.00 H new ATOM 722 N HIS A 45 16.422 -1.861 -14.602 1.00 0.00 N ATOM 723 CA HIS A 45 16.575 -0.425 -14.376 1.00 0.00 C ATOM 724 C HIS A 45 15.305 0.210 -13.780 1.00 0.00 C ATOM 725 O HIS A 45 15.348 1.365 -13.367 1.00 0.00 O ATOM 726 CB HIS A 45 16.889 0.303 -15.691 1.00 0.00 C ATOM 727 CG HIS A 45 17.982 -0.306 -16.527 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.899 -0.605 -17.868 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.238 -0.653 -16.110 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.076 -1.129 -18.249 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.929 -1.184 -17.207 1.00 0.00 N ATOM 0 H HIS A 45 16.570 -2.151 -15.569 1.00 0.00 H new ATOM 0 HA HIS A 45 17.397 -0.316 -13.668 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.979 0.344 -16.289 1.00 0.00 H new ATOM 0 HB3 HIS A 45 17.164 1.332 -15.459 1.00 0.00 H new ATOM 0 HD1 HIS A 45 17.087 -0.455 -18.467 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.629 -0.538 -15.110 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.307 -1.460 -19.251 1.00 0.00 H new ATOM 739 N ASP A 46 14.171 -0.507 -13.772 1.00 0.00 N ATOM 740 CA ASP A 46 12.903 -0.029 -13.241 1.00 0.00 C ATOM 741 C ASP A 46 12.903 0.014 -11.708 1.00 0.00 C ATOM 742 O ASP A 46 11.955 0.546 -11.128 1.00 0.00 O ATOM 743 CB ASP A 46 11.731 -0.870 -13.768 1.00 0.00 C ATOM 744 CG ASP A 46 11.562 -2.194 -13.016 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.445 -3.070 -13.133 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.530 -2.384 -12.336 1.00 0.00 O ATOM 0 H ASP A 46 14.118 -1.455 -14.145 1.00 0.00 H new ATOM 0 HA ASP A 46 12.773 0.994 -13.593 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.810 -0.292 -13.687 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.886 -1.077 -14.827 1.00 0.00 H new ATOM 751 N ILE A 47 13.953 -0.490 -11.045 1.00 0.00 N ATOM 752 CA ILE A 47 14.153 -0.400 -9.603 1.00 0.00 C ATOM 753 C ILE A 47 15.575 0.108 -9.315 1.00 0.00 C ATOM 754 O ILE A 47 16.464 0.012 -10.168 1.00 0.00 O ATOM 755 CB ILE A 47 13.876 -1.768 -8.933 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.103 -2.697 -9.095 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.549 -2.385 -9.427 1.00 0.00 C ATOM 758 CD1 ILE A 47 14.821 -4.190 -9.110 1.00 0.00 C ATOM 0 H ILE A 47 14.708 -0.987 -11.519 1.00 0.00 H new ATOM 0 HA ILE A 47 13.447 0.312 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 47 13.735 -1.623 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.610 -2.435 -10.024 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.799 -2.489 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.388 -3.344 -8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.725 -1.713 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.596 -2.534 -10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.757 -4.736 -9.229 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.348 -4.480 -8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.155 -4.426 -9.940 1.00 0.00 H new ATOM 770 N ALA A 48 15.805 0.627 -8.109 1.00 0.00 N ATOM 771 CA ALA A 48 17.103 1.158 -7.691 1.00 0.00 C ATOM 772 C ALA A 48 17.167 1.307 -6.176 1.00 0.00 C ATOM 773 O ALA A 48 16.174 1.110 -5.477 1.00 0.00 O ATOM 774 CB ALA A 48 17.331 2.548 -8.314 1.00 0.00 C ATOM 0 H ALA A 48 15.088 0.691 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 48 17.869 0.458 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.300 2.934 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.311 2.467 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.544 3.227 -7.986 1.00 0.00 H new ATOM 780 N PHE A 49 18.328 1.739 -5.693 1.00 0.00 N ATOM 781 CA PHE A 49 18.554 2.171 -4.330 1.00 0.00 C ATOM 782 C PHE A 49 19.243 3.533 -4.406 1.00 0.00 C ATOM 783 O PHE A 49 19.978 3.810 -5.360 1.00 0.00 O ATOM 784 CB PHE A 49 19.406 1.159 -3.551 1.00 0.00 C ATOM 785 CG PHE A 49 18.754 -0.192 -3.308 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.789 -1.185 -4.309 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.141 -0.472 -2.069 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.214 -2.447 -4.078 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.592 -1.745 -1.828 1.00 0.00 C ATOM 790 CZ PHE A 49 17.629 -2.733 -2.830 1.00 0.00 C ATOM 0 H PHE A 49 19.167 1.798 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 49 17.609 2.245 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.338 1.001 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.668 1.596 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.260 -0.975 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.093 0.290 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.221 -3.196 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.141 -1.965 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.209 -3.710 -2.641 1.00 0.00 H new ATOM 800 N VAL A 50 19.018 4.383 -3.409 1.00 0.00 N ATOM 801 CA VAL A 50 19.591 5.722 -3.308 1.00 0.00 C ATOM 802 C VAL A 50 20.065 5.866 -1.860 1.00 0.00 C ATOM 803 O VAL A 50 19.400 5.367 -0.955 1.00 0.00 O ATOM 804 CB VAL A 50 18.531 6.777 -3.709 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.091 8.205 -3.648 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.984 6.539 -5.125 1.00 0.00 C ATOM 0 H VAL A 50 18.411 4.151 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 50 20.431 5.877 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 50 17.724 6.668 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.314 8.913 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.421 8.423 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.936 8.294 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.244 7.303 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.802 6.590 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.518 5.555 -5.174 1.00 0.00 H new ATOM 816 N GLU A 51 21.198 6.523 -1.622 1.00 0.00 N ATOM 817 CA GLU A 51 21.855 6.569 -0.323 1.00 0.00 C ATOM 818 C GLU A 51 22.175 8.018 0.030 1.00 0.00 C ATOM 819 O GLU A 51 22.578 8.806 -0.834 1.00 0.00 O ATOM 820 CB GLU A 51 23.106 5.682 -0.357 1.00 0.00 C ATOM 821 CG GLU A 51 23.899 5.753 0.955 1.00 0.00 C ATOM 822 CD GLU A 51 24.971 4.659 1.013 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.631 3.479 1.248 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.159 4.954 0.758 1.00 0.00 O ATOM 0 H GLU A 51 21.693 7.048 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 51 21.199 6.181 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.813 4.650 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.746 5.990 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.369 6.732 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.219 5.645 1.800 1.00 0.00 H new ATOM 831 N PHE A 52 21.980 8.334 1.312 1.00 0.00 N ATOM 832 CA PHE A 52 21.999 9.661 1.900 1.00 0.00 C ATOM 833 C PHE A 52 22.841 9.664 3.176 1.00 0.00 C ATOM 834 O PHE A 52 23.188 8.620 3.733 1.00 0.00 O ATOM 835 CB PHE A 52 20.550 10.083 2.215 1.00 0.00 C ATOM 836 CG PHE A 52 19.893 10.909 1.128 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.607 10.344 -0.127 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.593 12.262 1.369 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.074 11.144 -1.152 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.041 13.057 0.351 1.00 0.00 C ATOM 841 CZ PHE A 52 18.804 12.502 -0.916 1.00 0.00 C ATOM 0 H PHE A 52 21.792 7.614 2.009 1.00 0.00 H new ATOM 0 HA PHE A 52 22.444 10.367 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.952 9.188 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.544 10.654 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.797 9.296 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.788 12.691 2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.872 10.714 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.800 14.092 0.543 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.413 13.120 -1.711 1.00 0.00 H new ATOM 851 N THR A 53 23.160 10.868 3.641 1.00 0.00 N ATOM 852 CA THR A 53 23.927 11.147 4.844 1.00 0.00 C ATOM 853 C THR A 53 23.114 10.824 6.098 1.00 0.00 C ATOM 854 O THR A 53 23.635 10.195 7.019 1.00 0.00 O ATOM 855 CB THR A 53 24.302 12.641 4.817 1.00 0.00 C ATOM 856 OG1 THR A 53 25.120 12.915 3.696 1.00 0.00 O ATOM 857 CG2 THR A 53 25.011 13.093 6.096 1.00 0.00 C ATOM 0 H THR A 53 22.873 11.720 3.160 1.00 0.00 H new ATOM 0 HA THR A 53 24.822 10.525 4.871 1.00 0.00 H new ATOM 0 HB THR A 53 23.370 13.202 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.568 12.937 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.252 14.153 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.357 12.928 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.929 12.520 6.225 1.00 0.00 H new ATOM 865 N THR A 54 21.849 11.241 6.130 1.00 0.00 N ATOM 866 CA THR A 54 21.035 11.208 7.330 1.00 0.00 C ATOM 867 C THR A 54 19.610 10.806 6.986 1.00 0.00 C ATOM 868 O THR A 54 19.074 11.163 5.935 1.00 0.00 O ATOM 869 CB THR A 54 21.080 12.584 8.034 1.00 0.00 C ATOM 870 OG1 THR A 54 21.411 13.650 7.152 1.00 0.00 O ATOM 871 CG2 THR A 54 22.109 12.579 9.160 1.00 0.00 C ATOM 0 H THR A 54 21.363 11.613 5.314 1.00 0.00 H new ATOM 0 HA THR A 54 21.434 10.463 8.018 1.00 0.00 H new ATOM 0 HB THR A 54 20.074 12.749 8.420 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.423 14.494 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.125 13.556 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.843 11.817 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.095 12.360 8.751 1.00 0.00 H new ATOM 879 N GLU A 55 19.008 10.078 7.921 1.00 0.00 N ATOM 880 CA GLU A 55 17.679 9.482 7.818 1.00 0.00 C ATOM 881 C GLU A 55 16.599 10.556 7.612 1.00 0.00 C ATOM 882 O GLU A 55 15.587 10.327 6.950 1.00 0.00 O ATOM 883 CB GLU A 55 17.350 8.659 9.080 1.00 0.00 C ATOM 884 CG GLU A 55 18.416 7.637 9.519 1.00 0.00 C ATOM 885 CD GLU A 55 19.427 8.212 10.533 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.306 9.008 10.134 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.353 7.861 11.733 1.00 0.00 O ATOM 0 H GLU A 55 19.455 9.877 8.816 1.00 0.00 H new ATOM 0 HA GLU A 55 17.686 8.823 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.177 9.350 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.414 8.127 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.921 6.772 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.954 7.283 8.640 1.00 0.00 H new ATOM 894 N LEU A 56 16.811 11.746 8.184 1.00 0.00 N ATOM 895 CA LEU A 56 15.903 12.877 8.029 1.00 0.00 C ATOM 896 C LEU A 56 15.950 13.405 6.595 1.00 0.00 C ATOM 897 O LEU A 56 14.921 13.822 6.065 1.00 0.00 O ATOM 898 CB LEU A 56 16.270 14.005 9.014 1.00 0.00 C ATOM 899 CG LEU A 56 15.613 13.871 10.403 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.029 12.600 11.156 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.969 15.094 11.255 1.00 0.00 C ATOM 0 H LEU A 56 17.622 11.948 8.769 1.00 0.00 H new ATOM 0 HA LEU A 56 14.892 12.535 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.353 14.026 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.980 14.961 8.578 1.00 0.00 H new ATOM 0 HG LEU A 56 14.538 13.805 10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.530 12.571 12.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.745 11.723 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.109 12.602 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.505 15.001 12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.051 15.155 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.604 15.997 10.766 1.00 0.00 H new ATOM 913 N GLN A 57 17.126 13.392 5.959 1.00 0.00 N ATOM 914 CA GLN A 57 17.285 13.957 4.626 1.00 0.00 C ATOM 915 C GLN A 57 16.817 12.971 3.557 1.00 0.00 C ATOM 916 O GLN A 57 16.190 13.402 2.590 1.00 0.00 O ATOM 917 CB GLN A 57 18.728 14.420 4.398 1.00 0.00 C ATOM 918 CG GLN A 57 19.112 15.526 5.395 1.00 0.00 C ATOM 919 CD GLN A 57 20.319 16.322 4.908 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.172 17.370 4.288 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.527 15.842 5.146 1.00 0.00 N ATOM 0 H GLN A 57 17.980 12.995 6.351 1.00 0.00 H new ATOM 0 HA GLN A 57 16.650 14.839 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.407 13.574 4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.839 14.789 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.266 16.198 5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.335 15.082 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.636 14.969 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.350 16.344 4.813 1.00 0.00 H new ATOM 930 N SER A 58 17.035 11.663 3.736 1.00 0.00 N ATOM 931 CA SER A 58 16.422 10.665 2.865 1.00 0.00 C ATOM 932 C SER A 58 14.900 10.755 2.971 1.00 0.00 C ATOM 933 O SER A 58 14.219 10.727 1.948 1.00 0.00 O ATOM 934 CB SER A 58 16.894 9.260 3.235 1.00 0.00 C ATOM 935 OG SER A 58 16.937 9.110 4.632 1.00 0.00 O ATOM 0 H SER A 58 17.627 11.277 4.471 1.00 0.00 H new ATOM 0 HA SER A 58 16.724 10.865 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.222 8.518 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.882 9.078 2.813 1.00 0.00 H new ATOM 0 HG SER A 58 16.551 8.244 4.880 1.00 0.00 H new ATOM 941 N ASN A 59 14.361 10.919 4.188 1.00 0.00 N ATOM 942 CA ASN A 59 12.936 11.149 4.400 1.00 0.00 C ATOM 943 C ASN A 59 12.448 12.375 3.631 1.00 0.00 C ATOM 944 O ASN A 59 11.453 12.286 2.919 1.00 0.00 O ATOM 945 CB ASN A 59 12.623 11.261 5.898 1.00 0.00 C ATOM 946 CG ASN A 59 11.260 11.899 6.151 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.221 11.290 5.924 1.00 0.00 O ATOM 948 ND2 ASN A 59 11.243 13.133 6.626 1.00 0.00 N ATOM 0 H ASN A 59 14.906 10.895 5.050 1.00 0.00 H new ATOM 0 HA ASN A 59 12.393 10.289 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.648 10.269 6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.397 11.853 6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.353 13.596 6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.120 13.622 6.808 1.00 0.00 H new ATOM 955 N ALA A 60 13.155 13.499 3.725 1.00 0.00 N ATOM 956 CA ALA A 60 12.769 14.710 3.008 1.00 0.00 C ATOM 957 C ALA A 60 12.764 14.482 1.494 1.00 0.00 C ATOM 958 O ALA A 60 11.821 14.881 0.811 1.00 0.00 O ATOM 959 CB ALA A 60 13.690 15.869 3.397 1.00 0.00 C ATOM 0 H ALA A 60 13.998 13.595 4.291 1.00 0.00 H new ATOM 0 HA ALA A 60 11.751 14.971 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.393 16.767 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.615 16.050 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.720 15.617 3.143 1.00 0.00 H new ATOM 965 N ALA A 61 13.785 13.804 0.970 1.00 0.00 N ATOM 966 CA ALA A 61 13.881 13.493 -0.450 1.00 0.00 C ATOM 967 C ALA A 61 12.761 12.540 -0.894 1.00 0.00 C ATOM 968 O ALA A 61 12.179 12.727 -1.962 1.00 0.00 O ATOM 969 CB ALA A 61 15.252 12.890 -0.751 1.00 0.00 C ATOM 0 H ALA A 61 14.569 13.456 1.522 1.00 0.00 H new ATOM 0 HA ALA A 61 13.763 14.418 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.322 12.658 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.030 13.605 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.383 11.977 -0.171 1.00 0.00 H new ATOM 975 N LYS A 62 12.433 11.540 -0.069 1.00 0.00 N ATOM 976 CA LYS A 62 11.316 10.624 -0.285 1.00 0.00 C ATOM 977 C LYS A 62 10.029 11.435 -0.399 1.00 0.00 C ATOM 978 O LYS A 62 9.315 11.295 -1.388 1.00 0.00 O ATOM 979 CB LYS A 62 11.330 9.563 0.841 1.00 0.00 C ATOM 980 CG LYS A 62 10.151 8.578 0.947 1.00 0.00 C ATOM 981 CD LYS A 62 8.860 9.219 1.484 1.00 0.00 C ATOM 982 CE LYS A 62 7.906 8.180 2.087 1.00 0.00 C ATOM 983 NZ LYS A 62 6.553 8.754 2.287 1.00 0.00 N ATOM 0 H LYS A 62 12.952 11.343 0.787 1.00 0.00 H new ATOM 0 HA LYS A 62 11.398 10.071 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.242 8.976 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.405 10.091 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.954 8.153 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.436 7.752 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.112 9.961 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.355 9.748 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.844 7.313 1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.301 7.829 3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.981 8.102 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.633 9.668 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.095 8.894 1.364 1.00 0.00 H new ATOM 997 N GLU A 63 9.744 12.306 0.571 1.00 0.00 N ATOM 998 CA GLU A 63 8.530 13.118 0.565 1.00 0.00 C ATOM 999 C GLU A 63 8.471 13.998 -0.691 1.00 0.00 C ATOM 1000 O GLU A 63 7.401 14.181 -1.274 1.00 0.00 O ATOM 1001 CB GLU A 63 8.468 13.989 1.833 1.00 0.00 C ATOM 1002 CG GLU A 63 8.234 13.203 3.132 1.00 0.00 C ATOM 1003 CD GLU A 63 6.813 12.624 3.227 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.870 13.366 3.588 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.634 11.414 2.963 1.00 0.00 O ATOM 0 H GLU A 63 10.346 12.466 1.378 1.00 0.00 H new ATOM 0 HA GLU A 63 7.668 12.450 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.401 14.546 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.669 14.722 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.958 12.391 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.413 13.857 3.985 1.00 0.00 H new ATOM 1012 N ALA A 64 9.622 14.527 -1.115 1.00 0.00 N ATOM 1013 CA ALA A 64 9.731 15.442 -2.239 1.00 0.00 C ATOM 1014 C ALA A 64 9.534 14.759 -3.598 1.00 0.00 C ATOM 1015 O ALA A 64 8.939 15.372 -4.487 1.00 0.00 O ATOM 1016 CB ALA A 64 11.112 16.096 -2.205 1.00 0.00 C ATOM 0 H ALA A 64 10.518 14.323 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 64 8.934 16.178 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.209 16.786 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.233 16.642 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.881 15.327 -2.278 1.00 0.00 H new ATOM 1022 N LEU A 65 10.026 13.526 -3.779 1.00 0.00 N ATOM 1023 CA LEU A 65 10.090 12.880 -5.097 1.00 0.00 C ATOM 1024 C LEU A 65 9.202 11.644 -5.227 1.00 0.00 C ATOM 1025 O LEU A 65 9.128 11.087 -6.324 1.00 0.00 O ATOM 1026 CB LEU A 65 11.551 12.560 -5.477 1.00 0.00 C ATOM 1027 CG LEU A 65 12.455 13.778 -5.745 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.861 13.294 -6.122 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.940 14.679 -6.876 1.00 0.00 C ATOM 0 H LEU A 65 10.389 12.950 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 65 9.687 13.603 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.995 11.971 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.546 11.932 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 65 12.462 14.367 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.503 14.154 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.275 12.706 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.805 12.677 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.623 15.518 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.881 14.105 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.950 15.056 -6.619 1.00 0.00 H new ATOM 1041 N GLN A 66 8.495 11.206 -4.179 1.00 0.00 N ATOM 1042 CA GLN A 66 7.469 10.180 -4.369 1.00 0.00 C ATOM 1043 C GLN A 66 6.458 10.676 -5.414 1.00 0.00 C ATOM 1044 O GLN A 66 5.930 11.787 -5.310 1.00 0.00 O ATOM 1045 CB GLN A 66 6.745 9.823 -3.059 1.00 0.00 C ATOM 1046 CG GLN A 66 7.417 8.673 -2.295 1.00 0.00 C ATOM 1047 CD GLN A 66 6.549 8.169 -1.140 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.855 8.929 -0.467 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.564 6.878 -0.855 1.00 0.00 N ATOM 0 H GLN A 66 8.610 11.534 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 66 7.960 9.270 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.709 10.704 -2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.714 9.549 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.620 7.851 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.379 9.009 -1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.137 6.240 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.003 6.520 -0.082 1.00 0.00 H new ATOM 1058 N GLY A 67 6.189 9.838 -6.415 1.00 0.00 N ATOM 1059 CA GLY A 67 5.253 10.102 -7.499 1.00 0.00 C ATOM 1060 C GLY A 67 5.838 10.972 -8.619 1.00 0.00 C ATOM 1061 O GLY A 67 5.096 11.349 -9.528 1.00 0.00 O ATOM 0 H GLY A 67 6.635 8.924 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.924 9.153 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.369 10.594 -7.093 1.00 0.00 H new ATOM 1065 N PHE A 68 7.128 11.318 -8.575 1.00 0.00 N ATOM 1066 CA PHE A 68 7.746 12.219 -9.544 1.00 0.00 C ATOM 1067 C PHE A 68 7.884 11.501 -10.884 1.00 0.00 C ATOM 1068 O PHE A 68 8.536 10.461 -10.953 1.00 0.00 O ATOM 1069 CB PHE A 68 9.114 12.676 -9.018 1.00 0.00 C ATOM 1070 CG PHE A 68 9.857 13.629 -9.933 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.624 15.016 -9.847 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.790 13.135 -10.864 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.324 15.902 -10.685 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.486 14.022 -11.704 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.255 15.405 -11.615 1.00 0.00 C ATOM 0 H PHE A 68 7.773 10.978 -7.862 1.00 0.00 H new ATOM 0 HA PHE A 68 7.122 13.101 -9.687 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.974 13.158 -8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.736 11.797 -8.849 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.907 15.399 -9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.972 12.073 -10.933 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.147 16.965 -10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.199 13.640 -12.419 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.791 16.085 -12.260 1.00 0.00 H new ATOM 1085 N LYS A 69 7.294 12.038 -11.956 1.00 0.00 N ATOM 1086 CA LYS A 69 7.518 11.519 -13.307 1.00 0.00 C ATOM 1087 C LYS A 69 8.984 11.724 -13.659 1.00 0.00 C ATOM 1088 O LYS A 69 9.405 12.856 -13.903 1.00 0.00 O ATOM 1089 CB LYS A 69 6.626 12.205 -14.364 1.00 0.00 C ATOM 1090 CG LYS A 69 5.436 11.343 -14.801 1.00 0.00 C ATOM 1091 CD LYS A 69 4.374 11.145 -13.713 1.00 0.00 C ATOM 1092 CE LYS A 69 3.381 10.042 -14.111 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.465 10.434 -15.214 1.00 0.00 N ATOM 0 H LYS A 69 6.657 12.833 -11.913 1.00 0.00 H new ATOM 0 HA LYS A 69 7.254 10.461 -13.314 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.255 13.147 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.231 12.448 -15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.968 11.803 -15.671 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.804 10.367 -15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.857 10.883 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.838 12.080 -13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.938 9.154 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.788 9.767 -13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.622 9.825 -15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.178 11.426 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.953 10.325 -16.126 1.00 0.00 H new ATOM 1107 N ILE A 70 9.751 10.637 -13.702 1.00 0.00 N ATOM 1108 CA ILE A 70 11.106 10.682 -14.243 1.00 0.00 C ATOM 1109 C ILE A 70 10.922 10.865 -15.758 1.00 0.00 C ATOM 1110 O ILE A 70 11.548 11.741 -16.356 1.00 0.00 O ATOM 1111 CB ILE A 70 11.888 9.420 -13.851 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.002 9.286 -12.318 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.299 9.485 -14.455 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.352 7.862 -11.886 1.00 0.00 C ATOM 0 H ILE A 70 9.458 9.718 -13.370 1.00 0.00 H new ATOM 0 HA ILE A 70 11.706 11.499 -13.842 1.00 0.00 H new ATOM 0 HB ILE A 70 11.350 8.554 -14.235 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.765 9.973 -11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.059 9.582 -11.858 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.855 8.590 -14.177 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.227 9.546 -15.541 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.817 10.366 -14.076 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.421 7.818 -10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.576 7.177 -12.228 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.309 7.574 -12.322 1.00 0.00 H new ATOM 1126 N THR A 71 10.002 10.099 -16.355 1.00 0.00 N ATOM 1127 CA THR A 71 9.508 10.284 -17.713 1.00 0.00 C ATOM 1128 C THR A 71 7.981 10.164 -17.632 1.00 0.00 C ATOM 1129 O THR A 71 7.497 9.662 -16.613 1.00 0.00 O ATOM 1130 CB THR A 71 10.155 9.288 -18.691 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.993 7.951 -18.266 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.652 9.552 -18.878 1.00 0.00 C ATOM 0 H THR A 71 9.569 9.305 -15.883 1.00 0.00 H new ATOM 0 HA THR A 71 9.778 11.261 -18.113 1.00 0.00 H new ATOM 0 HB THR A 71 9.640 9.436 -19.640 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.415 7.349 -18.913 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.065 8.824 -19.577 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.798 10.557 -19.273 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.160 9.462 -17.918 1.00 0.00 H new ATOM 1140 N PRO A 72 7.207 10.620 -18.639 1.00 0.00 N ATOM 1141 CA PRO A 72 5.749 10.754 -18.570 1.00 0.00 C ATOM 1142 C PRO A 72 4.949 9.560 -18.032 1.00 0.00 C ATOM 1143 O PRO A 72 3.825 9.762 -17.572 1.00 0.00 O ATOM 1144 CB PRO A 72 5.302 11.112 -19.988 1.00 0.00 C ATOM 1145 CG PRO A 72 6.485 11.918 -20.515 1.00 0.00 C ATOM 1146 CD PRO A 72 7.682 11.201 -19.892 1.00 0.00 C ATOM 0 HA PRO A 72 5.532 11.516 -17.822 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.116 10.223 -20.591 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.381 11.696 -19.988 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.529 11.908 -21.604 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.433 12.962 -20.207 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.062 10.428 -20.559 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.501 11.897 -19.712 1.00 0.00 H new ATOM 1154 N THR A 73 5.501 8.347 -18.046 1.00 0.00 N ATOM 1155 CA THR A 73 4.817 7.113 -17.677 1.00 0.00 C ATOM 1156 C THR A 73 5.510 6.393 -16.508 1.00 0.00 C ATOM 1157 O THR A 73 5.148 5.260 -16.183 1.00 0.00 O ATOM 1158 CB THR A 73 4.694 6.241 -18.944 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.927 6.218 -19.651 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.620 6.794 -19.892 1.00 0.00 C ATOM 0 H THR A 73 6.470 8.194 -18.325 1.00 0.00 H new ATOM 0 HA THR A 73 3.818 7.336 -17.303 1.00 0.00 H new ATOM 0 HB THR A 73 4.420 5.237 -18.620 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.835 5.660 -20.451 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.554 6.160 -20.777 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.657 6.807 -19.382 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.886 7.808 -20.191 1.00 0.00 H new ATOM 1168 N HIS A 74 6.469 7.046 -15.840 1.00 0.00 N ATOM 1169 CA HIS A 74 7.301 6.443 -14.806 1.00 0.00 C ATOM 1170 C HIS A 74 7.340 7.366 -13.597 1.00 0.00 C ATOM 1171 O HIS A 74 8.322 8.075 -13.356 1.00 0.00 O ATOM 1172 CB HIS A 74 8.685 6.099 -15.362 1.00 0.00 C ATOM 1173 CG HIS A 74 8.618 5.095 -16.483 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.683 5.383 -17.824 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.427 3.744 -16.366 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.537 4.236 -18.506 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.383 3.199 -17.659 1.00 0.00 N ATOM 0 H HIS A 74 6.688 8.027 -16.011 1.00 0.00 H new ATOM 0 HA HIS A 74 6.874 5.496 -14.475 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.166 7.009 -15.721 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.308 5.704 -14.560 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.819 6.308 -18.231 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.328 3.194 -15.442 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.542 4.155 -19.583 1.00 0.00 H new ATOM 1185 N ALA A 75 6.214 7.402 -12.881 1.00 0.00 N ATOM 1186 CA ALA A 75 6.116 8.041 -11.579 1.00 0.00 C ATOM 1187 C ALA A 75 6.974 7.234 -10.603 1.00 0.00 C ATOM 1188 O ALA A 75 6.599 6.123 -10.219 1.00 0.00 O ATOM 1189 CB ALA A 75 4.655 8.087 -11.114 1.00 0.00 C ATOM 0 H ALA A 75 5.340 6.983 -13.197 1.00 0.00 H new ATOM 0 HA ALA A 75 6.472 9.070 -11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.599 8.568 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.062 8.653 -11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.264 7.072 -11.041 1.00 0.00 H new ATOM 1195 N MET A 76 8.127 7.786 -10.235 1.00 0.00 N ATOM 1196 CA MET A 76 9.057 7.246 -9.260 1.00 0.00 C ATOM 1197 C MET A 76 8.331 6.829 -7.984 1.00 0.00 C ATOM 1198 O MET A 76 7.690 7.659 -7.337 1.00 0.00 O ATOM 1199 CB MET A 76 10.069 8.354 -8.935 1.00 0.00 C ATOM 1200 CG MET A 76 11.215 7.886 -8.036 1.00 0.00 C ATOM 1201 SD MET A 76 12.247 9.227 -7.385 1.00 0.00 S ATOM 1202 CE MET A 76 12.783 10.086 -8.888 1.00 0.00 C ATOM 0 H MET A 76 8.450 8.668 -10.632 1.00 0.00 H new ATOM 0 HA MET A 76 9.550 6.362 -9.665 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.483 8.742 -9.866 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.549 9.179 -8.448 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.799 7.324 -7.200 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.846 7.198 -8.599 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.436 10.916 -8.619 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.325 9.392 -9.530 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.911 10.467 -9.420 1.00 0.00 H new ATOM 1212 N LYS A 77 8.455 5.563 -7.591 1.00 0.00 N ATOM 1213 CA LYS A 77 8.010 5.113 -6.279 1.00 0.00 C ATOM 1214 C LYS A 77 9.267 5.015 -5.426 1.00 0.00 C ATOM 1215 O LYS A 77 10.325 4.631 -5.928 1.00 0.00 O ATOM 1216 CB LYS A 77 7.310 3.756 -6.376 1.00 0.00 C ATOM 1217 CG LYS A 77 5.875 3.840 -6.916 1.00 0.00 C ATOM 1218 CD LYS A 77 5.097 2.541 -6.643 1.00 0.00 C ATOM 1219 CE LYS A 77 5.672 1.336 -7.404 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.231 0.044 -6.825 1.00 0.00 N ATOM 0 H LYS A 77 8.863 4.828 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 77 7.286 5.803 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.894 3.101 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.291 3.295 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.358 4.680 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.899 4.034 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.112 2.331 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.054 2.681 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.364 1.388 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.761 1.386 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.515 -0.734 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.672 -0.087 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.196 0.045 -6.721 1.00 0.00 H new ATOM 1234 N ILE A 78 9.147 5.353 -4.146 1.00 0.00 N ATOM 1235 CA ILE A 78 10.241 5.397 -3.185 1.00 0.00 C ATOM 1236 C ILE A 78 9.696 4.751 -1.914 1.00 0.00 C ATOM 1237 O ILE A 78 8.528 4.969 -1.577 1.00 0.00 O ATOM 1238 CB ILE A 78 10.683 6.859 -2.903 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.832 7.729 -4.176 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.983 6.887 -2.079 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.180 9.190 -3.881 1.00 0.00 C ATOM 0 H ILE A 78 8.250 5.613 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 78 11.120 4.876 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 78 9.873 7.305 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.608 7.300 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.901 7.693 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.274 7.921 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.822 6.379 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.775 6.381 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.269 9.739 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.393 9.636 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.126 9.237 -3.342 1.00 0.00 H new ATOM 1253 N THR A 79 10.540 4.027 -1.191 1.00 0.00 N ATOM 1254 CA THR A 79 10.245 3.437 0.106 1.00 0.00 C ATOM 1255 C THR A 79 11.540 3.428 0.926 1.00 0.00 C ATOM 1256 O THR A 79 12.637 3.419 0.364 1.00 0.00 O ATOM 1257 CB THR A 79 9.664 2.014 -0.067 1.00 0.00 C ATOM 1258 OG1 THR A 79 9.880 1.465 -1.362 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.152 2.027 0.168 1.00 0.00 C ATOM 0 H THR A 79 11.489 3.827 -1.507 1.00 0.00 H new ATOM 0 HA THR A 79 9.490 4.022 0.632 1.00 0.00 H new ATOM 0 HB THR A 79 10.187 1.398 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.951 0.490 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.756 1.019 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.944 2.376 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.678 2.695 -0.551 1.00 0.00 H new ATOM 1267 N PHE A 80 11.425 3.449 2.254 1.00 0.00 N ATOM 1268 CA PHE A 80 12.569 3.321 3.147 1.00 0.00 C ATOM 1269 C PHE A 80 13.147 1.912 3.002 1.00 0.00 C ATOM 1270 O PHE A 80 12.409 0.929 3.130 1.00 0.00 O ATOM 1271 CB PHE A 80 12.115 3.633 4.580 1.00 0.00 C ATOM 1272 CG PHE A 80 11.792 5.103 4.787 1.00 0.00 C ATOM 1273 CD1 PHE A 80 12.800 6.076 4.634 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.479 5.507 5.094 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.496 7.441 4.773 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.176 6.871 5.245 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.182 7.838 5.079 1.00 0.00 C ATOM 0 H PHE A 80 10.534 3.556 2.738 1.00 0.00 H new ATOM 0 HA PHE A 80 13.359 4.028 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.235 3.035 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 80 12.898 3.336 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 80 13.811 5.771 4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.702 4.766 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.270 8.184 4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.169 7.176 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.946 8.886 5.186 1.00 0.00 H new ATOM 1287 N ALA A 81 14.445 1.812 2.696 1.00 0.00 N ATOM 1288 CA ALA A 81 15.140 0.526 2.675 1.00 0.00 C ATOM 1289 C ALA A 81 15.463 0.081 4.111 1.00 0.00 C ATOM 1290 O ALA A 81 14.971 0.650 5.090 1.00 0.00 O ATOM 1291 CB ALA A 81 16.393 0.589 1.784 1.00 0.00 C ATOM 0 H ALA A 81 15.034 2.610 2.459 1.00 0.00 H new ATOM 0 HA ALA A 81 14.486 -0.226 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.890 -0.381 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.102 0.845 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.075 1.348 2.168 1.00 0.00 H new ATOM 1297 N LYS A 82 16.280 -0.966 4.245 1.00 0.00 N ATOM 1298 CA LYS A 82 16.641 -1.586 5.520 1.00 0.00 C ATOM 1299 C LYS A 82 18.110 -2.007 5.457 1.00 0.00 C ATOM 1300 O LYS A 82 18.700 -2.036 4.372 1.00 0.00 O ATOM 1301 CB LYS A 82 15.716 -2.791 5.794 1.00 0.00 C ATOM 1302 CG LYS A 82 14.237 -2.373 5.914 1.00 0.00 C ATOM 1303 CD LYS A 82 13.269 -3.542 6.153 1.00 0.00 C ATOM 1304 CE LYS A 82 13.316 -4.665 5.099 1.00 0.00 C ATOM 1305 NZ LYS A 82 13.048 -4.194 3.714 1.00 0.00 N ATOM 0 H LYS A 82 16.721 -1.419 3.445 1.00 0.00 H new ATOM 0 HA LYS A 82 16.513 -0.880 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.822 -3.519 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.028 -3.285 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.138 -1.661 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.943 -1.853 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.483 -3.975 7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.254 -3.148 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.297 -5.139 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.585 -5.429 5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.827 -5.009 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.241 -3.538 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.888 -3.705 3.345 1.00 0.00 H new ATOM 1319 N LYS A 83 18.695 -2.338 6.608 1.00 0.00 N ATOM 1320 CA LYS A 83 20.085 -2.761 6.754 1.00 0.00 C ATOM 1321 C LYS A 83 20.086 -3.945 7.708 1.00 0.00 C ATOM 1322 O LYS A 83 19.338 -3.909 8.709 1.00 0.00 O ATOM 1323 CB LYS A 83 20.962 -1.623 7.308 1.00 0.00 C ATOM 1324 CG LYS A 83 21.109 -0.433 6.343 1.00 0.00 C ATOM 1325 CD LYS A 83 22.000 0.686 6.910 1.00 0.00 C ATOM 1326 CE LYS A 83 23.465 0.242 7.061 1.00 0.00 C ATOM 1327 NZ LYS A 83 24.332 1.325 7.589 1.00 0.00 N ATOM 1328 OXT LYS A 83 20.814 -4.923 7.445 1.00 0.00 O ATOM 0 H LYS A 83 18.194 -2.318 7.496 1.00 0.00 H new ATOM 0 HA LYS A 83 20.502 -3.034 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.534 -1.269 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.952 -2.017 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.530 -0.785 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.122 -0.028 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 83 21.951 1.555 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.615 0.998 7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 83 23.514 -0.618 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.845 -0.084 6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 25.309 0.978 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 24.308 2.137 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 23.988 1.620 8.525 1.00 0.00 H new TER 1342 LYS A 83