USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 75 THR OG1 : rot 180:sc= 0.899 USER MOD Set 1.2: A 81 THR OG1 : rot -69:sc= 1.75 USER MOD Set 2.1: A 16 TYR OH : rot -141:sc= 1.51 USER MOD Set 2.2: A 34 LYS NZ :NH3+ -171:sc= 2.06 (180deg=0.807) USER MOD Set 3.1: A 1 HIS : no HE2:sc= 0.136 K(o=-0.5,f=-3) USER MOD Set 3.2: A 3 THR OG1 : rot 170:sc= 0.59 USER MOD Set 3.3: A 5 CYS SG : rot 40:sc= 0.0089 USER MOD Set 3.4: A 28 CYS SG : rot -70:sc= -1.24 USER MOD Set 3.5: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 HIS N :NH3+ -137:sc= 1.44 (180deg=-0.512) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 157:sc= -0.941 USER MOD Single : A 9 TYR OH : rot -157:sc= 1.12 USER MOD Single : A 11 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.0084) USER MOD Single : A 12 GLN : amide:sc= 0.548 K(o=0.55,f=-0.22) USER MOD Single : A 13 SER OG : rot -5:sc= 0.933 USER MOD Single : A 19 HIS : no HE2:sc= 0.688 K(o=0.69,f=-3.4!) USER MOD Single : A 20 MET CE :methyl -127:sc= 0 (180deg=-2.15) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.0586 (180deg=-0.343) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0138 (180deg=-0.129) USER MOD Single : A 41 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0317 (180deg=-0.273) USER MOD Single : A 68 SER OG : rot 116:sc= -1.1! USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 71 MET CE :methyl -121:sc=-0.00351 (180deg=-1.44) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.984 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0892 (180deg=-0.379) USER MOD Single : A 78 CYS SG : rot -39:sc= -0.0428 USER MOD Single : A 79 TYR OH : rot 59:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.509 8.852 -12.198 1.00 0.00 N ATOM 2 CA HIS A 1 1.659 7.744 -11.792 1.00 0.00 C ATOM 3 C HIS A 1 1.809 7.543 -10.283 1.00 0.00 C ATOM 4 O HIS A 1 2.595 6.733 -9.819 1.00 0.00 O ATOM 5 CB HIS A 1 2.005 6.470 -12.604 1.00 0.00 C ATOM 6 CG HIS A 1 1.097 5.288 -12.382 1.00 0.00 C ATOM 7 ND1 HIS A 1 -0.107 5.108 -13.032 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.242 4.215 -11.571 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.646 3.970 -12.607 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.131 3.379 -11.714 1.00 0.00 N ATOM 0 H1 HIS A 1 1.993 9.458 -12.867 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.777 9.409 -11.361 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.366 8.482 -12.656 1.00 0.00 H new ATOM 0 HA HIS A 1 0.613 7.965 -12.004 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.991 6.722 -13.664 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.025 6.172 -12.361 1.00 0.00 H new ATOM 0 HD1 HIS A 1 -0.514 5.741 -13.721 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.082 4.033 -10.917 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -1.594 3.579 -12.946 1.00 0.00 H new ATOM 18 N MET A 2 1.118 8.375 -9.547 1.00 0.00 N ATOM 19 CA MET A 2 1.127 8.407 -8.104 1.00 0.00 C ATOM 20 C MET A 2 -0.325 8.406 -7.689 1.00 0.00 C ATOM 21 O MET A 2 -1.132 9.074 -8.334 1.00 0.00 O ATOM 22 CB MET A 2 1.788 9.715 -7.607 1.00 0.00 C ATOM 23 CG MET A 2 3.281 9.915 -7.929 1.00 0.00 C ATOM 24 SD MET A 2 3.655 10.201 -9.673 1.00 0.00 S ATOM 25 CE MET A 2 5.438 10.383 -9.598 1.00 0.00 C ATOM 0 H MET A 2 0.505 9.081 -9.954 1.00 0.00 H new ATOM 0 HA MET A 2 1.681 7.564 -7.690 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.236 10.554 -8.030 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.666 9.765 -6.525 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.652 10.761 -7.350 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.830 9.035 -7.595 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.827 10.566 -10.599 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.691 11.223 -8.951 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.880 9.471 -9.198 1.00 0.00 H new ATOM 35 N THR A 3 -0.676 7.686 -6.668 1.00 0.00 N ATOM 36 CA THR A 3 -2.059 7.610 -6.276 1.00 0.00 C ATOM 37 C THR A 3 -2.322 8.379 -4.999 1.00 0.00 C ATOM 38 O THR A 3 -1.651 8.177 -3.965 1.00 0.00 O ATOM 39 CB THR A 3 -2.571 6.141 -6.163 1.00 0.00 C ATOM 40 OG1 THR A 3 -3.961 6.107 -5.788 1.00 0.00 O ATOM 41 CG2 THR A 3 -1.758 5.330 -5.162 1.00 0.00 C ATOM 0 H THR A 3 -0.033 7.144 -6.091 1.00 0.00 H new ATOM 0 HA THR A 3 -2.629 8.083 -7.076 1.00 0.00 H new ATOM 0 HB THR A 3 -2.451 5.691 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.300 5.192 -5.873 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.148 4.313 -5.115 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.715 5.304 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.828 5.792 -4.177 1.00 0.00 H new ATOM 49 N PHE A 4 -3.244 9.301 -5.091 1.00 0.00 N ATOM 50 CA PHE A 4 -3.658 10.097 -3.968 1.00 0.00 C ATOM 51 C PHE A 4 -5.175 10.077 -3.866 1.00 0.00 C ATOM 52 O PHE A 4 -5.761 10.680 -2.976 1.00 0.00 O ATOM 53 CB PHE A 4 -3.159 11.535 -4.099 1.00 0.00 C ATOM 54 CG PHE A 4 -1.689 11.602 -4.315 1.00 0.00 C ATOM 55 CD1 PHE A 4 -0.817 11.299 -3.292 1.00 0.00 C ATOM 56 CD2 PHE A 4 -1.181 11.916 -5.553 1.00 0.00 C ATOM 57 CE1 PHE A 4 0.534 11.298 -3.503 1.00 0.00 C ATOM 58 CE2 PHE A 4 0.166 11.932 -5.766 1.00 0.00 C ATOM 59 CZ PHE A 4 1.028 11.616 -4.739 1.00 0.00 C ATOM 0 H PHE A 4 -3.734 9.522 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.224 9.673 -3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.669 12.020 -4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.418 12.091 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.205 11.060 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.854 12.152 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.208 11.047 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.556 12.192 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.094 11.619 -4.909 1.00 0.00 H new ATOM 69 N CYS A 5 -5.799 9.377 -4.786 1.00 0.00 N ATOM 70 CA CYS A 5 -7.226 9.234 -4.823 1.00 0.00 C ATOM 71 C CYS A 5 -7.644 8.058 -3.958 1.00 0.00 C ATOM 72 O CYS A 5 -7.471 6.899 -4.336 1.00 0.00 O ATOM 73 CB CYS A 5 -7.679 9.059 -6.275 1.00 0.00 C ATOM 74 SG CYS A 5 -6.805 7.744 -7.171 1.00 0.00 S ATOM 0 H CYS A 5 -5.317 8.886 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.706 10.128 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -8.748 8.844 -6.288 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.537 10.001 -6.805 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.633 6.723 -6.385 1.00 0.00 H new ATOM 80 N LEU A 6 -8.117 8.355 -2.777 1.00 0.00 N ATOM 81 CA LEU A 6 -8.509 7.326 -1.854 1.00 0.00 C ATOM 82 C LEU A 6 -9.995 7.046 -1.870 1.00 0.00 C ATOM 83 O LEU A 6 -10.433 5.899 -1.993 1.00 0.00 O ATOM 84 CB LEU A 6 -7.949 7.542 -0.395 1.00 0.00 C ATOM 85 CG LEU A 6 -8.061 8.905 0.380 1.00 0.00 C ATOM 86 CD1 LEU A 6 -7.263 10.032 -0.242 1.00 0.00 C ATOM 87 CD2 LEU A 6 -9.487 9.330 0.683 1.00 0.00 C ATOM 0 H LEU A 6 -8.240 9.307 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.028 6.420 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.428 6.791 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.888 7.296 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.595 8.691 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.391 10.938 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.208 9.761 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.615 10.209 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.478 10.279 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.038 9.446 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.970 8.571 1.298 1.00 0.00 H new ATOM 99 N GLU A 7 -10.762 8.091 -1.873 1.00 0.00 N ATOM 100 CA GLU A 7 -12.187 7.972 -1.798 1.00 0.00 C ATOM 101 C GLU A 7 -12.818 7.658 -3.161 1.00 0.00 C ATOM 102 O GLU A 7 -14.002 7.368 -3.253 1.00 0.00 O ATOM 103 CB GLU A 7 -12.753 9.227 -1.153 1.00 0.00 C ATOM 104 CG GLU A 7 -14.229 9.198 -0.870 1.00 0.00 C ATOM 105 CD GLU A 7 -14.700 10.498 -0.350 1.00 0.00 C ATOM 106 OE1 GLU A 7 -14.628 10.728 0.872 1.00 0.00 O ATOM 107 OE2 GLU A 7 -15.119 11.339 -1.147 1.00 0.00 O ATOM 0 H GLU A 7 -10.420 9.050 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.444 7.118 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.224 9.404 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.542 10.076 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.772 8.950 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.448 8.413 -0.146 1.00 0.00 H new ATOM 114 N THR A 8 -12.021 7.637 -4.204 1.00 0.00 N ATOM 115 CA THR A 8 -12.527 7.299 -5.514 1.00 0.00 C ATOM 116 C THR A 8 -12.863 5.808 -5.564 1.00 0.00 C ATOM 117 O THR A 8 -13.737 5.359 -6.319 1.00 0.00 O ATOM 118 CB THR A 8 -11.492 7.650 -6.578 1.00 0.00 C ATOM 119 OG1 THR A 8 -10.213 7.163 -6.146 1.00 0.00 O ATOM 120 CG2 THR A 8 -11.420 9.152 -6.784 1.00 0.00 C ATOM 0 H THR A 8 -11.024 7.849 -4.172 1.00 0.00 H new ATOM 0 HA THR A 8 -13.433 7.871 -5.712 1.00 0.00 H new ATOM 0 HB THR A 8 -11.777 7.189 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.630 7.039 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.676 9.379 -7.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.394 9.522 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.139 9.635 -5.848 1.00 0.00 H new ATOM 128 N TYR A 9 -12.197 5.051 -4.699 1.00 0.00 N ATOM 129 CA TYR A 9 -12.415 3.637 -4.611 1.00 0.00 C ATOM 130 C TYR A 9 -13.706 3.356 -3.822 1.00 0.00 C ATOM 131 O TYR A 9 -14.349 2.316 -4.003 1.00 0.00 O ATOM 132 CB TYR A 9 -11.194 2.939 -3.988 1.00 0.00 C ATOM 133 CG TYR A 9 -11.243 1.428 -4.072 1.00 0.00 C ATOM 134 CD1 TYR A 9 -11.262 0.789 -5.306 1.00 0.00 C ATOM 135 CD2 TYR A 9 -11.263 0.645 -2.933 1.00 0.00 C ATOM 136 CE1 TYR A 9 -11.303 -0.585 -5.396 1.00 0.00 C ATOM 137 CE2 TYR A 9 -11.309 -0.729 -3.012 1.00 0.00 C ATOM 138 CZ TYR A 9 -11.331 -1.339 -4.246 1.00 0.00 C ATOM 139 OH TYR A 9 -11.349 -2.712 -4.330 1.00 0.00 O ATOM 0 H TYR A 9 -11.498 5.410 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.540 3.227 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.292 3.292 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -11.115 3.233 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.244 1.380 -6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -11.242 1.120 -1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.313 -1.067 -6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.328 -1.325 -2.111 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.721 -3.085 -3.504 1.00 0.00 H new ATOM 149 N LEU A 10 -14.121 4.331 -3.008 1.00 0.00 N ATOM 150 CA LEU A 10 -15.342 4.228 -2.198 1.00 0.00 C ATOM 151 C LEU A 10 -16.555 4.108 -3.129 1.00 0.00 C ATOM 152 O LEU A 10 -17.480 3.329 -2.869 1.00 0.00 O ATOM 153 CB LEU A 10 -15.438 5.458 -1.238 1.00 0.00 C ATOM 154 CG LEU A 10 -16.575 5.509 -0.177 1.00 0.00 C ATOM 155 CD1 LEU A 10 -16.255 6.566 0.863 1.00 0.00 C ATOM 156 CD2 LEU A 10 -17.923 5.848 -0.804 1.00 0.00 C ATOM 0 H LEU A 10 -13.622 5.213 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.318 3.335 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.490 5.533 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.527 6.351 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.639 4.520 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -17.053 6.600 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.313 6.320 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -16.169 7.539 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -18.689 5.873 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.864 6.823 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -18.181 5.090 -1.544 1.00 0.00 H new ATOM 168 N GLN A 11 -16.478 4.803 -4.268 1.00 0.00 N ATOM 169 CA GLN A 11 -17.525 4.795 -5.292 1.00 0.00 C ATOM 170 C GLN A 11 -17.642 3.433 -5.942 1.00 0.00 C ATOM 171 O GLN A 11 -18.615 3.141 -6.645 1.00 0.00 O ATOM 172 CB GLN A 11 -17.232 5.827 -6.391 1.00 0.00 C ATOM 173 CG GLN A 11 -17.672 7.267 -6.119 1.00 0.00 C ATOM 174 CD GLN A 11 -17.008 7.911 -4.930 1.00 0.00 C ATOM 175 OE1 GLN A 11 -17.510 7.836 -3.806 1.00 0.00 O ATOM 176 NE2 GLN A 11 -15.898 8.558 -5.161 1.00 0.00 N ATOM 0 H GLN A 11 -15.680 5.392 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 11 -18.459 5.046 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.158 5.829 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -17.714 5.492 -7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.466 7.869 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -18.751 7.281 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.517 8.595 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.412 9.026 -4.396 1.00 0.00 H new ATOM 185 N GLN A 12 -16.661 2.605 -5.722 1.00 0.00 N ATOM 186 CA GLN A 12 -16.644 1.314 -6.323 1.00 0.00 C ATOM 187 C GLN A 12 -17.301 0.317 -5.381 1.00 0.00 C ATOM 188 O GLN A 12 -18.143 -0.478 -5.794 1.00 0.00 O ATOM 189 CB GLN A 12 -15.210 0.892 -6.652 1.00 0.00 C ATOM 190 CG GLN A 12 -14.372 2.013 -7.267 1.00 0.00 C ATOM 191 CD GLN A 12 -14.964 2.617 -8.513 1.00 0.00 C ATOM 192 OE1 GLN A 12 -15.649 1.947 -9.293 1.00 0.00 O ATOM 193 NE2 GLN A 12 -14.747 3.895 -8.681 1.00 0.00 N ATOM 0 H GLN A 12 -15.859 2.809 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.202 1.342 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.724 0.543 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.237 0.048 -7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.238 2.800 -6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.381 1.623 -7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.174 4.408 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.150 4.380 -9.483 1.00 0.00 H new ATOM 202 N SER A 13 -16.924 0.377 -4.107 1.00 0.00 N ATOM 203 CA SER A 13 -17.470 -0.499 -3.063 1.00 0.00 C ATOM 204 C SER A 13 -17.151 0.088 -1.689 1.00 0.00 C ATOM 205 O SER A 13 -18.038 0.579 -0.972 1.00 0.00 O ATOM 206 CB SER A 13 -16.898 -1.940 -3.162 1.00 0.00 C ATOM 207 OG SER A 13 -17.204 -2.548 -4.410 1.00 0.00 O ATOM 0 H SER A 13 -16.227 1.037 -3.763 1.00 0.00 H new ATOM 0 HA SER A 13 -18.549 -0.560 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.817 -1.911 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.303 -2.548 -2.353 1.00 0.00 H new ATOM 0 HG SER A 13 -17.792 -1.958 -4.926 1.00 0.00 H new ATOM 213 N GLY A 14 -15.890 0.085 -1.368 1.00 0.00 N ATOM 214 CA GLY A 14 -15.415 0.573 -0.113 1.00 0.00 C ATOM 215 C GLY A 14 -14.116 1.259 -0.324 1.00 0.00 C ATOM 216 O GLY A 14 -13.666 1.316 -1.445 1.00 0.00 O ATOM 0 H GLY A 14 -15.154 -0.263 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.139 1.262 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.296 -0.251 0.591 1.00 0.00 H new ATOM 220 N GLU A 15 -13.521 1.770 0.702 1.00 0.00 N ATOM 221 CA GLU A 15 -12.262 2.470 0.565 1.00 0.00 C ATOM 222 C GLU A 15 -11.101 1.486 0.905 1.00 0.00 C ATOM 223 O GLU A 15 -11.349 0.305 1.211 1.00 0.00 O ATOM 224 CB GLU A 15 -12.287 3.711 1.486 1.00 0.00 C ATOM 225 CG GLU A 15 -11.246 4.789 1.185 1.00 0.00 C ATOM 226 CD GLU A 15 -11.361 5.968 2.126 1.00 0.00 C ATOM 227 OE1 GLU A 15 -10.851 5.879 3.248 1.00 0.00 O ATOM 228 OE2 GLU A 15 -11.999 6.998 1.776 1.00 0.00 O ATOM 0 H GLU A 15 -13.879 1.722 1.656 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.103 2.820 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.277 4.163 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.150 3.378 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.247 4.360 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.367 5.132 0.158 1.00 0.00 H new ATOM 235 N TYR A 16 -9.872 1.946 0.782 1.00 0.00 N ATOM 236 CA TYR A 16 -8.669 1.158 1.082 1.00 0.00 C ATOM 237 C TYR A 16 -7.772 1.975 2.020 1.00 0.00 C ATOM 238 O TYR A 16 -6.650 1.611 2.343 1.00 0.00 O ATOM 239 CB TYR A 16 -7.977 0.770 -0.273 1.00 0.00 C ATOM 240 CG TYR A 16 -6.508 0.312 -0.242 1.00 0.00 C ATOM 241 CD1 TYR A 16 -6.082 -0.845 0.412 1.00 0.00 C ATOM 242 CD2 TYR A 16 -5.552 1.074 -0.881 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.732 -1.205 0.412 1.00 0.00 C ATOM 244 CE2 TYR A 16 -4.225 0.729 -0.886 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.813 -0.399 -0.246 1.00 0.00 C ATOM 246 OH TYR A 16 -2.463 -0.727 -0.266 1.00 0.00 O ATOM 0 H TYR A 16 -9.666 2.894 0.466 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.903 0.227 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.564 -0.028 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.042 1.632 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.802 -1.467 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.859 1.973 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.407 -2.101 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.507 1.352 -1.398 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.927 0.088 -0.174 1.00 0.00 H new ATOM 256 N GLU A 17 -8.372 2.992 2.562 1.00 0.00 N ATOM 257 CA GLU A 17 -7.724 3.947 3.404 1.00 0.00 C ATOM 258 C GLU A 17 -8.562 4.172 4.656 1.00 0.00 C ATOM 259 O GLU A 17 -9.475 3.406 4.937 1.00 0.00 O ATOM 260 CB GLU A 17 -7.583 5.277 2.662 1.00 0.00 C ATOM 261 CG GLU A 17 -6.372 5.436 1.747 1.00 0.00 C ATOM 262 CD GLU A 17 -6.307 4.506 0.558 1.00 0.00 C ATOM 263 OE1 GLU A 17 -7.206 4.573 -0.331 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.327 3.783 0.451 1.00 0.00 O ATOM 0 H GLU A 17 -9.364 3.185 2.423 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.738 3.570 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.482 5.428 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.555 6.076 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.352 6.462 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.471 5.293 2.343 1.00 0.00 H new ATOM 271 N ILE A 18 -8.242 5.203 5.437 1.00 0.00 N ATOM 272 CA ILE A 18 -9.051 5.504 6.593 1.00 0.00 C ATOM 273 C ILE A 18 -9.598 6.954 6.520 1.00 0.00 C ATOM 274 O ILE A 18 -9.548 7.730 7.482 1.00 0.00 O ATOM 275 CB ILE A 18 -8.402 5.147 7.992 1.00 0.00 C ATOM 276 CG1 ILE A 18 -9.457 5.249 9.127 1.00 0.00 C ATOM 277 CG2 ILE A 18 -7.155 5.971 8.306 1.00 0.00 C ATOM 278 CD1 ILE A 18 -8.936 4.934 10.517 1.00 0.00 C ATOM 0 H ILE A 18 -7.447 5.824 5.288 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.897 4.819 6.544 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.062 4.113 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.869 6.258 9.130 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.279 4.570 8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.760 5.677 9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.400 5.795 7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.414 7.030 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.746 5.032 11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.552 3.914 10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.136 5.629 10.772 1.00 0.00 H new ATOM 290 N HIS A 19 -10.104 7.302 5.330 1.00 0.00 N ATOM 291 CA HIS A 19 -10.687 8.633 5.012 1.00 0.00 C ATOM 292 C HIS A 19 -9.684 9.764 5.280 1.00 0.00 C ATOM 293 O HIS A 19 -10.061 10.907 5.573 1.00 0.00 O ATOM 294 CB HIS A 19 -12.016 8.873 5.779 1.00 0.00 C ATOM 295 CG HIS A 19 -13.149 7.919 5.431 1.00 0.00 C ATOM 296 ND1 HIS A 19 -13.374 7.393 4.172 1.00 0.00 N ATOM 297 CD2 HIS A 19 -14.139 7.421 6.212 1.00 0.00 C ATOM 298 CE1 HIS A 19 -14.458 6.629 4.220 1.00 0.00 C ATOM 299 NE2 HIS A 19 -14.972 6.604 5.439 1.00 0.00 N ATOM 0 H HIS A 19 -10.125 6.660 4.538 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.916 8.637 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -11.817 8.800 6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -12.349 9.893 5.585 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -12.802 7.564 3.345 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -14.265 7.623 7.265 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -14.867 6.097 3.374 1.00 0.00 H new ATOM 307 N MET A 20 -8.429 9.441 5.105 1.00 0.00 N ATOM 308 CA MET A 20 -7.307 10.345 5.331 1.00 0.00 C ATOM 309 C MET A 20 -6.530 10.448 4.009 1.00 0.00 C ATOM 310 O MET A 20 -7.025 9.956 3.014 1.00 0.00 O ATOM 311 CB MET A 20 -6.455 9.794 6.494 1.00 0.00 C ATOM 312 CG MET A 20 -7.129 9.892 7.856 1.00 0.00 C ATOM 313 SD MET A 20 -7.355 11.589 8.446 1.00 0.00 S ATOM 314 CE MET A 20 -5.700 11.987 9.003 1.00 0.00 C ATOM 0 H MET A 20 -8.140 8.515 4.791 1.00 0.00 H new ATOM 0 HA MET A 20 -7.625 11.347 5.619 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.216 8.750 6.293 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.510 10.337 6.528 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.102 9.404 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.534 9.341 8.585 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.739 12.347 10.031 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.075 11.095 8.954 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.277 12.762 8.363 1.00 0.00 H new ATOM 324 N LYS A 21 -5.332 11.017 3.968 1.00 0.00 N ATOM 325 CA LYS A 21 -4.657 11.150 2.663 1.00 0.00 C ATOM 326 C LYS A 21 -3.817 9.938 2.350 1.00 0.00 C ATOM 327 O LYS A 21 -3.120 9.406 3.213 1.00 0.00 O ATOM 328 CB LYS A 21 -3.773 12.394 2.567 1.00 0.00 C ATOM 329 CG LYS A 21 -4.447 13.707 2.897 1.00 0.00 C ATOM 330 CD LYS A 21 -5.662 13.967 2.025 1.00 0.00 C ATOM 331 CE LYS A 21 -6.284 15.311 2.352 1.00 0.00 C ATOM 332 NZ LYS A 21 -6.650 15.422 3.781 1.00 0.00 N ATOM 0 H LYS A 21 -4.821 11.380 4.772 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.462 11.246 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.923 12.265 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.374 12.456 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.748 13.705 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.733 14.521 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.373 13.941 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.397 13.176 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.584 16.106 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.173 15.458 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.263 16.251 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.157 14.564 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.788 15.530 4.353 1.00 0.00 H new ATOM 346 N ARG A 22 -3.870 9.504 1.131 1.00 0.00 N ATOM 347 CA ARG A 22 -3.093 8.375 0.723 1.00 0.00 C ATOM 348 C ARG A 22 -1.963 8.888 -0.155 1.00 0.00 C ATOM 349 O ARG A 22 -2.169 9.828 -0.922 1.00 0.00 O ATOM 350 CB ARG A 22 -3.958 7.349 -0.045 1.00 0.00 C ATOM 351 CG ARG A 22 -4.238 7.678 -1.491 1.00 0.00 C ATOM 352 CD ARG A 22 -4.892 6.524 -2.221 1.00 0.00 C ATOM 353 NE ARG A 22 -4.020 5.340 -2.368 1.00 0.00 N ATOM 354 CZ ARG A 22 -4.472 4.123 -2.728 1.00 0.00 C ATOM 355 NH1 ARG A 22 -5.761 3.825 -2.581 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.620 3.164 -3.072 1.00 0.00 N ATOM 0 H ARG A 22 -4.446 9.916 0.397 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.694 7.861 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.462 6.379 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.910 7.243 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.885 8.554 -1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.305 7.940 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.796 6.234 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.201 6.861 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.022 5.450 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.404 4.517 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.106 2.904 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.617 3.347 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.969 2.245 -3.343 1.00 0.00 H new ATOM 370 N ALA A 23 -0.790 8.339 -0.020 1.00 0.00 N ATOM 371 CA ALA A 23 0.303 8.753 -0.854 1.00 0.00 C ATOM 372 C ALA A 23 1.035 7.553 -1.435 1.00 0.00 C ATOM 373 O ALA A 23 1.974 7.024 -0.839 1.00 0.00 O ATOM 374 CB ALA A 23 1.250 9.686 -0.106 1.00 0.00 C ATOM 0 H ALA A 23 -0.566 7.608 0.655 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.110 9.318 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.066 9.981 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.706 10.573 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.655 9.171 0.765 1.00 0.00 H new ATOM 380 N GLY A 24 0.575 7.102 -2.576 1.00 0.00 N ATOM 381 CA GLY A 24 1.161 5.973 -3.224 1.00 0.00 C ATOM 382 C GLY A 24 1.908 6.369 -4.451 1.00 0.00 C ATOM 383 O GLY A 24 1.426 6.192 -5.545 1.00 0.00 O ATOM 0 H GLY A 24 -0.215 7.512 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.836 5.467 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.381 5.259 -3.487 1.00 0.00 H new ATOM 387 N PHE A 25 3.095 6.875 -4.276 1.00 0.00 N ATOM 388 CA PHE A 25 3.889 7.357 -5.397 1.00 0.00 C ATOM 389 C PHE A 25 4.398 6.220 -6.254 1.00 0.00 C ATOM 390 O PHE A 25 4.134 6.151 -7.439 1.00 0.00 O ATOM 391 CB PHE A 25 5.088 8.172 -4.916 1.00 0.00 C ATOM 392 CG PHE A 25 4.762 9.421 -4.162 1.00 0.00 C ATOM 393 CD1 PHE A 25 4.491 9.374 -2.811 1.00 0.00 C ATOM 394 CD2 PHE A 25 4.761 10.644 -4.802 1.00 0.00 C ATOM 395 CE1 PHE A 25 4.219 10.527 -2.103 1.00 0.00 C ATOM 396 CE2 PHE A 25 4.497 11.806 -4.104 1.00 0.00 C ATOM 397 CZ PHE A 25 4.226 11.747 -2.750 1.00 0.00 C ATOM 0 H PHE A 25 3.547 6.970 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 25 3.228 7.988 -5.992 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.705 7.536 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.693 8.440 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.492 8.422 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.969 10.693 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.001 10.475 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.502 12.758 -4.614 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.020 12.653 -2.199 1.00 0.00 H new ATOM 407 N ARG A 26 5.102 5.332 -5.632 1.00 0.00 N ATOM 408 CA ARG A 26 5.718 4.223 -6.324 1.00 0.00 C ATOM 409 C ARG A 26 4.864 2.981 -6.305 1.00 0.00 C ATOM 410 O ARG A 26 4.821 2.228 -7.263 1.00 0.00 O ATOM 411 CB ARG A 26 7.056 3.946 -5.687 1.00 0.00 C ATOM 412 CG ARG A 26 8.165 4.905 -6.064 1.00 0.00 C ATOM 413 CD ARG A 26 8.852 4.479 -7.358 1.00 0.00 C ATOM 414 NE ARG A 26 7.961 4.454 -8.531 1.00 0.00 N ATOM 415 CZ ARG A 26 7.689 3.354 -9.268 1.00 0.00 C ATOM 416 NH1 ARG A 26 8.009 2.137 -8.807 1.00 0.00 N ATOM 417 NH2 ARG A 26 7.042 3.470 -10.420 1.00 0.00 N ATOM 0 H ARG A 26 5.273 5.346 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 26 5.839 4.498 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.935 3.965 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.365 2.936 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.756 5.909 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.898 4.951 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.680 5.159 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.281 3.487 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 26 7.517 5.330 -8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.459 2.038 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.802 1.309 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.749 4.390 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.837 2.640 -10.976 1.00 0.00 H new ATOM 431 N GLU A 27 4.129 2.794 -5.237 1.00 0.00 N ATOM 432 CA GLU A 27 3.323 1.599 -5.100 1.00 0.00 C ATOM 433 C GLU A 27 1.995 1.770 -5.861 1.00 0.00 C ATOM 434 O GLU A 27 1.164 0.881 -5.862 1.00 0.00 O ATOM 435 CB GLU A 27 3.092 1.315 -3.633 1.00 0.00 C ATOM 436 CG GLU A 27 2.719 -0.107 -3.262 1.00 0.00 C ATOM 437 CD GLU A 27 2.622 -0.274 -1.760 1.00 0.00 C ATOM 438 OE1 GLU A 27 3.585 0.141 -1.043 1.00 0.00 O ATOM 439 OE2 GLU A 27 1.599 -0.833 -1.275 1.00 0.00 O ATOM 0 H GLU A 27 4.070 3.445 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 27 3.845 0.746 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.998 1.581 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.301 1.977 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.766 -0.367 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.464 -0.797 -3.660 1.00 0.00 H new ATOM 446 N CYS A 28 1.802 2.947 -6.492 1.00 0.00 N ATOM 447 CA CYS A 28 0.618 3.204 -7.318 1.00 0.00 C ATOM 448 C CYS A 28 0.516 2.157 -8.433 1.00 0.00 C ATOM 449 O CYS A 28 -0.563 1.683 -8.760 1.00 0.00 O ATOM 450 CB CYS A 28 0.698 4.593 -7.953 1.00 0.00 C ATOM 451 SG CYS A 28 -0.734 5.054 -8.956 1.00 0.00 S ATOM 0 H CYS A 28 2.454 3.730 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.261 3.149 -6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.822 5.332 -7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.591 4.641 -8.577 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.746 4.346 -10.046 1.00 0.00 H new ATOM 457 N ALA A 29 1.656 1.777 -8.989 1.00 0.00 N ATOM 458 CA ALA A 29 1.681 0.792 -10.042 1.00 0.00 C ATOM 459 C ALA A 29 1.271 -0.549 -9.482 1.00 0.00 C ATOM 460 O ALA A 29 0.487 -1.286 -10.086 1.00 0.00 O ATOM 461 CB ALA A 29 3.048 0.731 -10.679 1.00 0.00 C ATOM 0 H ALA A 29 2.572 2.140 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 29 0.973 1.074 -10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.047 -0.018 -11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.297 1.705 -11.101 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.789 0.462 -9.926 1.00 0.00 H new ATOM 467 N ALA A 30 1.778 -0.837 -8.304 1.00 0.00 N ATOM 468 CA ALA A 30 1.459 -2.040 -7.589 1.00 0.00 C ATOM 469 C ALA A 30 -0.022 -2.101 -7.244 1.00 0.00 C ATOM 470 O ALA A 30 -0.636 -3.149 -7.388 1.00 0.00 O ATOM 471 CB ALA A 30 2.261 -2.105 -6.310 1.00 0.00 C ATOM 0 H ALA A 30 2.433 -0.229 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 30 1.705 -2.885 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.014 -3.020 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.325 -2.099 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.023 -1.243 -5.687 1.00 0.00 H new ATOM 477 N MET A 31 -0.602 -0.952 -6.818 1.00 0.00 N ATOM 478 CA MET A 31 -2.015 -0.891 -6.380 1.00 0.00 C ATOM 479 C MET A 31 -2.956 -1.432 -7.440 1.00 0.00 C ATOM 480 O MET A 31 -3.945 -2.096 -7.121 1.00 0.00 O ATOM 481 CB MET A 31 -2.482 0.534 -5.938 1.00 0.00 C ATOM 482 CG MET A 31 -3.000 1.426 -7.068 1.00 0.00 C ATOM 483 SD MET A 31 -3.815 2.923 -6.501 1.00 0.00 S ATOM 484 CE MET A 31 -4.325 3.620 -8.076 1.00 0.00 C ATOM 0 H MET A 31 -0.113 -0.058 -6.769 1.00 0.00 H new ATOM 0 HA MET A 31 -2.059 -1.528 -5.497 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.269 0.426 -5.191 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.647 1.038 -5.451 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.165 1.701 -7.712 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.698 0.853 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.850 4.560 -7.905 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.446 3.802 -8.695 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.989 2.921 -8.585 1.00 0.00 H new ATOM 494 N ILE A 32 -2.606 -1.190 -8.684 1.00 0.00 N ATOM 495 CA ILE A 32 -3.401 -1.599 -9.818 1.00 0.00 C ATOM 496 C ILE A 32 -3.511 -3.117 -9.870 1.00 0.00 C ATOM 497 O ILE A 32 -4.558 -3.658 -10.095 1.00 0.00 O ATOM 498 CB ILE A 32 -2.792 -1.031 -11.141 1.00 0.00 C ATOM 499 CG1 ILE A 32 -2.813 0.516 -11.144 1.00 0.00 C ATOM 500 CG2 ILE A 32 -3.483 -1.582 -12.388 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.199 1.135 -11.049 1.00 0.00 C ATOM 0 H ILE A 32 -1.750 -0.697 -8.938 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.407 -1.193 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.755 -1.366 -11.176 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.212 0.875 -10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.334 0.870 -12.057 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.021 -1.155 -13.278 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.381 -2.667 -12.411 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.540 -1.317 -12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.114 2.222 -11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.801 0.811 -11.898 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.677 0.816 -10.123 1.00 0.00 H new ATOM 513 N GLU A 33 -2.460 -3.785 -9.571 1.00 0.00 N ATOM 514 CA GLU A 33 -2.477 -5.221 -9.643 1.00 0.00 C ATOM 515 C GLU A 33 -2.943 -5.795 -8.307 1.00 0.00 C ATOM 516 O GLU A 33 -3.561 -6.864 -8.248 1.00 0.00 O ATOM 517 CB GLU A 33 -1.096 -5.719 -10.019 1.00 0.00 C ATOM 518 CG GLU A 33 -0.493 -5.013 -11.230 1.00 0.00 C ATOM 519 CD GLU A 33 -1.229 -5.286 -12.517 1.00 0.00 C ATOM 520 OE1 GLU A 33 -2.352 -4.811 -12.700 1.00 0.00 O ATOM 521 OE2 GLU A 33 -0.678 -5.993 -13.383 1.00 0.00 O ATOM 0 H GLU A 33 -1.574 -3.375 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.177 -5.554 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.429 -5.590 -9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.149 -6.788 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.485 -3.939 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.545 -5.325 -11.342 1.00 0.00 H new ATOM 528 N LYS A 34 -2.698 -5.037 -7.250 1.00 0.00 N ATOM 529 CA LYS A 34 -3.090 -5.384 -5.886 1.00 0.00 C ATOM 530 C LYS A 34 -4.589 -5.559 -5.750 1.00 0.00 C ATOM 531 O LYS A 34 -5.050 -6.175 -4.795 1.00 0.00 O ATOM 532 CB LYS A 34 -2.606 -4.311 -4.914 1.00 0.00 C ATOM 533 CG LYS A 34 -1.142 -4.433 -4.527 1.00 0.00 C ATOM 534 CD LYS A 34 -0.539 -3.110 -4.024 1.00 0.00 C ATOM 535 CE LYS A 34 -1.412 -2.373 -2.979 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.779 -1.107 -2.467 1.00 0.00 N ATOM 0 H LYS A 34 -2.211 -4.143 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.622 -6.339 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.771 -3.331 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.214 -4.355 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.040 -5.191 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.572 -4.781 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.439 -3.312 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.377 -2.450 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.378 -2.135 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.605 -3.041 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.333 -0.741 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.192 -1.307 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.758 -0.397 -3.227 1.00 0.00 H new ATOM 550 N LYS A 35 -5.351 -5.031 -6.711 1.00 0.00 N ATOM 551 CA LYS A 35 -6.801 -5.181 -6.658 1.00 0.00 C ATOM 552 C LYS A 35 -7.273 -6.640 -6.885 1.00 0.00 C ATOM 553 O LYS A 35 -8.438 -6.973 -6.635 1.00 0.00 O ATOM 554 CB LYS A 35 -7.560 -4.176 -7.575 1.00 0.00 C ATOM 555 CG LYS A 35 -7.179 -4.120 -9.045 1.00 0.00 C ATOM 556 CD LYS A 35 -7.461 -5.413 -9.797 1.00 0.00 C ATOM 557 CE LYS A 35 -7.040 -5.320 -11.250 1.00 0.00 C ATOM 558 NZ LYS A 35 -7.813 -4.309 -12.002 1.00 0.00 N ATOM 0 H LYS A 35 -4.998 -4.510 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.070 -4.924 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.623 -4.407 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.427 -3.178 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.724 -3.306 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.118 -3.885 -9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.932 -6.236 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.525 -5.642 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.979 -5.074 -11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.165 -6.294 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.609 -4.401 -13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.829 -4.457 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.545 -3.357 -11.680 1.00 0.00 H new ATOM 572 N ALA A 36 -6.378 -7.490 -7.379 1.00 0.00 N ATOM 573 CA ALA A 36 -6.713 -8.877 -7.666 1.00 0.00 C ATOM 574 C ALA A 36 -6.764 -9.707 -6.390 1.00 0.00 C ATOM 575 O ALA A 36 -7.780 -10.347 -6.091 1.00 0.00 O ATOM 576 CB ALA A 36 -5.724 -9.468 -8.652 1.00 0.00 C ATOM 0 H ALA A 36 -5.412 -7.239 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.706 -8.898 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.989 -10.505 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.751 -8.898 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.720 -9.426 -8.230 1.00 0.00 H new ATOM 582 N ARG A 37 -5.679 -9.691 -5.640 1.00 0.00 N ATOM 583 CA ARG A 37 -5.590 -10.411 -4.378 1.00 0.00 C ATOM 584 C ARG A 37 -4.354 -9.930 -3.656 1.00 0.00 C ATOM 585 O ARG A 37 -4.441 -9.339 -2.598 1.00 0.00 O ATOM 586 CB ARG A 37 -5.512 -11.923 -4.608 1.00 0.00 C ATOM 587 CG ARG A 37 -5.757 -12.752 -3.361 1.00 0.00 C ATOM 588 CD ARG A 37 -5.725 -14.231 -3.678 1.00 0.00 C ATOM 589 NE ARG A 37 -6.066 -15.053 -2.511 1.00 0.00 N ATOM 590 CZ ARG A 37 -5.936 -16.383 -2.441 1.00 0.00 C ATOM 591 NH1 ARG A 37 -5.461 -17.068 -3.475 1.00 0.00 N ATOM 592 NH2 ARG A 37 -6.279 -17.017 -1.324 1.00 0.00 N ATOM 0 H ARG A 37 -4.832 -9.179 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.483 -10.219 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.243 -12.203 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.528 -12.169 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.000 -12.521 -2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.723 -12.490 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.424 -14.443 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.732 -14.503 -4.035 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.431 -14.573 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.192 -16.580 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.365 -18.082 -3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.638 -16.490 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.183 -18.031 -1.263 1.00 0.00 H new ATOM 606 N ARG A 38 -3.204 -10.191 -4.244 1.00 0.00 N ATOM 607 CA ARG A 38 -1.940 -9.737 -3.725 1.00 0.00 C ATOM 608 C ARG A 38 -0.893 -9.833 -4.811 1.00 0.00 C ATOM 609 O ARG A 38 -0.725 -10.887 -5.425 1.00 0.00 O ATOM 610 CB ARG A 38 -1.493 -10.469 -2.436 1.00 0.00 C ATOM 611 CG ARG A 38 -1.185 -11.956 -2.548 1.00 0.00 C ATOM 612 CD ARG A 38 -0.654 -12.450 -1.216 1.00 0.00 C ATOM 613 NE ARG A 38 -0.356 -13.883 -1.183 1.00 0.00 N ATOM 614 CZ ARG A 38 0.039 -14.539 -0.077 1.00 0.00 C ATOM 615 NH1 ARG A 38 0.228 -13.875 1.061 1.00 0.00 N ATOM 616 NH2 ARG A 38 0.261 -15.842 -0.120 1.00 0.00 N ATOM 0 H ARG A 38 -3.125 -10.731 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.066 -8.697 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.603 -9.968 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.275 -10.342 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.084 -12.507 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.451 -12.131 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.252 -11.896 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.385 -12.224 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.453 -14.414 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.073 -12.867 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.527 -14.374 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.133 -16.353 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.560 -16.336 0.720 1.00 0.00 H new ATOM 630 N VAL A 39 -0.236 -8.736 -5.091 1.00 0.00 N ATOM 631 CA VAL A 39 0.764 -8.699 -6.148 1.00 0.00 C ATOM 632 C VAL A 39 2.012 -7.998 -5.641 1.00 0.00 C ATOM 633 O VAL A 39 1.924 -7.151 -4.728 1.00 0.00 O ATOM 634 CB VAL A 39 0.211 -7.988 -7.429 1.00 0.00 C ATOM 635 CG1 VAL A 39 1.255 -7.923 -8.546 1.00 0.00 C ATOM 636 CG2 VAL A 39 -1.018 -8.717 -7.937 1.00 0.00 C ATOM 0 H VAL A 39 -0.370 -7.850 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 39 1.015 -9.723 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.046 -6.967 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.828 -7.422 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.126 -7.367 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.556 -8.934 -8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.396 -8.216 -8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.755 -9.746 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.788 -8.714 -7.165 1.00 0.00 H new ATOM 646 N VAL A 40 3.153 -8.362 -6.201 1.00 0.00 N ATOM 647 CA VAL A 40 4.416 -7.814 -5.811 1.00 0.00 C ATOM 648 C VAL A 40 4.872 -6.773 -6.822 1.00 0.00 C ATOM 649 O VAL A 40 4.545 -6.855 -8.019 1.00 0.00 O ATOM 650 CB VAL A 40 5.510 -8.934 -5.622 1.00 0.00 C ATOM 651 CG1 VAL A 40 5.760 -9.700 -6.915 1.00 0.00 C ATOM 652 CG2 VAL A 40 6.826 -8.375 -5.075 1.00 0.00 C ATOM 0 H VAL A 40 3.216 -9.055 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 40 4.285 -7.330 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 40 5.110 -9.627 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.520 -10.463 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.835 -10.175 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.105 -9.010 -7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.547 -9.185 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.221 -7.631 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.649 -7.910 -4.105 1.00 0.00 H new ATOM 662 N HIS A 41 5.581 -5.800 -6.339 1.00 0.00 N ATOM 663 CA HIS A 41 6.115 -4.764 -7.155 1.00 0.00 C ATOM 664 C HIS A 41 7.473 -4.382 -6.579 1.00 0.00 C ATOM 665 O HIS A 41 7.664 -4.449 -5.355 1.00 0.00 O ATOM 666 CB HIS A 41 5.141 -3.575 -7.128 1.00 0.00 C ATOM 667 CG HIS A 41 5.474 -2.409 -8.020 1.00 0.00 C ATOM 668 ND1 HIS A 41 5.259 -2.396 -9.376 1.00 0.00 N ATOM 669 CD2 HIS A 41 6.008 -1.200 -7.719 1.00 0.00 C ATOM 670 CE1 HIS A 41 5.673 -1.228 -9.850 1.00 0.00 C ATOM 671 NE2 HIS A 41 6.138 -0.458 -8.885 1.00 0.00 N ATOM 0 H HIS A 41 5.806 -5.706 -5.349 1.00 0.00 H new ATOM 0 HA HIS A 41 6.241 -5.080 -8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.151 -3.940 -7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.076 -3.211 -6.102 1.00 0.00 H new ATOM 0 HD1 HIS A 41 4.851 -3.153 -9.924 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.288 -0.867 -6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.634 -0.944 -10.891 1.00 0.00 H new ATOM 679 N ILE A 42 8.417 -4.055 -7.430 1.00 0.00 N ATOM 680 CA ILE A 42 9.718 -3.626 -6.976 1.00 0.00 C ATOM 681 C ILE A 42 9.755 -2.100 -7.031 1.00 0.00 C ATOM 682 O ILE A 42 9.116 -1.496 -7.908 1.00 0.00 O ATOM 683 CB ILE A 42 10.893 -4.252 -7.799 1.00 0.00 C ATOM 684 CG1 ILE A 42 12.253 -3.887 -7.167 1.00 0.00 C ATOM 685 CG2 ILE A 42 10.838 -3.819 -9.262 1.00 0.00 C ATOM 686 CD1 ILE A 42 13.453 -4.477 -7.870 1.00 0.00 C ATOM 0 H ILE A 42 8.307 -4.078 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 42 9.865 -3.978 -5.955 1.00 0.00 H new ATOM 0 HB ILE A 42 10.782 -5.336 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 42 12.353 -2.802 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.257 -4.219 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 42 11.667 -4.271 -9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.895 -4.144 -9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.912 -2.733 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 42 14.364 -4.168 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.382 -5.565 -7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.480 -4.125 -8.901 1.00 0.00 H new ATOM 698 N LYS A 43 10.475 -1.494 -6.087 1.00 0.00 N ATOM 699 CA LYS A 43 10.576 -0.033 -5.940 1.00 0.00 C ATOM 700 C LYS A 43 9.203 0.576 -5.562 1.00 0.00 C ATOM 701 O LYS A 43 8.776 1.524 -6.192 1.00 0.00 O ATOM 702 CB LYS A 43 11.076 0.661 -7.227 1.00 0.00 C ATOM 703 CG LYS A 43 12.414 0.191 -7.761 1.00 0.00 C ATOM 704 CD LYS A 43 12.848 1.036 -8.951 1.00 0.00 C ATOM 705 CE LYS A 43 11.852 0.971 -10.101 1.00 0.00 C ATOM 706 NZ LYS A 43 12.235 1.857 -11.212 1.00 0.00 N ATOM 0 H LYS A 43 11.014 -2.008 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 43 11.303 0.140 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.327 0.520 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.140 1.732 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.166 0.250 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.345 -0.855 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.966 2.072 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.823 0.696 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.782 -0.055 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.862 1.250 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.531 1.783 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.277 2.840 -10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.168 1.576 -11.575 1.00 0.00 H new ATOM 720 N PRO A 44 8.473 0.033 -4.553 1.00 0.00 N ATOM 721 CA PRO A 44 7.180 0.553 -4.157 1.00 0.00 C ATOM 722 C PRO A 44 7.327 1.642 -3.090 1.00 0.00 C ATOM 723 O PRO A 44 8.338 1.707 -2.398 1.00 0.00 O ATOM 724 CB PRO A 44 6.478 -0.696 -3.580 1.00 0.00 C ATOM 725 CG PRO A 44 7.466 -1.794 -3.799 1.00 0.00 C ATOM 726 CD PRO A 44 8.778 -1.126 -3.754 1.00 0.00 C ATOM 0 HA PRO A 44 6.632 1.021 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.246 -0.572 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.536 -0.897 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.385 -2.560 -3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.305 -2.287 -4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.084 -0.869 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.574 -1.734 -4.183 1.00 0.00 H new ATOM 734 N GLY A 45 6.309 2.440 -2.909 1.00 0.00 N ATOM 735 CA GLY A 45 6.390 3.518 -1.978 1.00 0.00 C ATOM 736 C GLY A 45 5.060 4.169 -1.790 1.00 0.00 C ATOM 737 O GLY A 45 4.761 5.194 -2.413 1.00 0.00 O ATOM 0 H GLY A 45 5.417 2.359 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.756 3.148 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.112 4.254 -2.332 1.00 0.00 H new ATOM 741 N GLU A 46 4.226 3.498 -1.069 1.00 0.00 N ATOM 742 CA GLU A 46 2.924 3.996 -0.711 1.00 0.00 C ATOM 743 C GLU A 46 2.785 4.061 0.785 1.00 0.00 C ATOM 744 O GLU A 46 3.003 3.073 1.504 1.00 0.00 O ATOM 745 CB GLU A 46 1.826 3.175 -1.379 1.00 0.00 C ATOM 746 CG GLU A 46 0.407 3.361 -0.909 1.00 0.00 C ATOM 747 CD GLU A 46 -0.558 2.502 -1.715 1.00 0.00 C ATOM 748 OE1 GLU A 46 -1.003 2.958 -2.792 1.00 0.00 O ATOM 749 OE2 GLU A 46 -0.862 1.348 -1.298 1.00 0.00 O ATOM 0 H GLU A 46 4.427 2.568 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 46 2.812 5.014 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.853 3.391 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.080 2.122 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.334 3.101 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.126 4.410 -0.999 1.00 0.00 H new ATOM 756 N LYS A 47 2.475 5.224 1.240 1.00 0.00 N ATOM 757 CA LYS A 47 2.286 5.494 2.594 1.00 0.00 C ATOM 758 C LYS A 47 0.926 6.065 2.665 1.00 0.00 C ATOM 759 O LYS A 47 0.688 7.170 2.206 1.00 0.00 O ATOM 760 CB LYS A 47 3.317 6.518 3.064 1.00 0.00 C ATOM 761 CG LYS A 47 4.035 6.142 4.352 1.00 0.00 C ATOM 762 CD LYS A 47 3.104 6.116 5.538 1.00 0.00 C ATOM 763 CE LYS A 47 3.784 5.512 6.752 1.00 0.00 C ATOM 764 NZ LYS A 47 4.038 4.069 6.587 1.00 0.00 N ATOM 0 H LYS A 47 2.344 6.038 0.640 1.00 0.00 H new ATOM 0 HA LYS A 47 2.399 4.611 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.058 6.657 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.819 7.477 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.498 5.162 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.839 6.854 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.775 7.129 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.212 5.539 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.728 6.027 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.161 5.671 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.230 3.642 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.203 3.616 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.860 3.930 5.966 1.00 0.00 H new ATOM 778 N ILE A 48 0.017 5.301 3.110 1.00 0.00 N ATOM 779 CA ILE A 48 -1.301 5.777 3.184 1.00 0.00 C ATOM 780 C ILE A 48 -1.659 6.043 4.594 1.00 0.00 C ATOM 781 O ILE A 48 -1.313 5.262 5.463 1.00 0.00 O ATOM 782 CB ILE A 48 -2.380 4.875 2.479 1.00 0.00 C ATOM 783 CG1 ILE A 48 -2.497 3.442 3.075 1.00 0.00 C ATOM 784 CG2 ILE A 48 -2.081 4.783 0.995 1.00 0.00 C ATOM 785 CD1 ILE A 48 -1.416 2.477 2.656 1.00 0.00 C ATOM 0 H ILE A 48 0.158 4.343 3.429 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.315 6.704 2.611 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.340 5.360 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.492 3.518 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.463 3.026 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.831 4.157 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.103 5.781 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.094 4.345 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.590 1.509 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.431 2.362 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.445 2.862 2.967 1.00 0.00 H new ATOM 797 N LEU A 49 -2.206 7.231 4.814 1.00 0.00 N ATOM 798 CA LEU A 49 -2.737 7.747 6.102 1.00 0.00 C ATOM 799 C LEU A 49 -1.715 7.697 7.223 1.00 0.00 C ATOM 800 O LEU A 49 -2.068 7.810 8.390 1.00 0.00 O ATOM 801 CB LEU A 49 -4.006 6.979 6.585 1.00 0.00 C ATOM 802 CG LEU A 49 -5.043 6.478 5.553 1.00 0.00 C ATOM 803 CD1 LEU A 49 -5.184 7.363 4.342 1.00 0.00 C ATOM 804 CD2 LEU A 49 -4.803 5.034 5.197 1.00 0.00 C ATOM 0 H LEU A 49 -2.304 7.914 4.063 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.995 8.784 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.665 6.111 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.532 7.629 7.285 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.014 6.540 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.930 6.942 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.498 8.359 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.226 7.430 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.547 4.710 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.806 4.926 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.881 4.420 6.094 1.00 0.00 H new ATOM 816 N GLY A 50 -0.467 7.535 6.888 1.00 0.00 N ATOM 817 CA GLY A 50 0.549 7.409 7.918 1.00 0.00 C ATOM 818 C GLY A 50 0.628 5.977 8.480 1.00 0.00 C ATOM 819 O GLY A 50 1.675 5.551 8.966 1.00 0.00 O ATOM 0 H GLY A 50 -0.123 7.486 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.518 7.691 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.332 8.105 8.728 1.00 0.00 H new ATOM 823 N ALA A 51 -0.462 5.244 8.385 1.00 0.00 N ATOM 824 CA ALA A 51 -0.562 3.874 8.833 1.00 0.00 C ATOM 825 C ALA A 51 -1.458 3.122 7.846 1.00 0.00 C ATOM 826 O ALA A 51 -2.396 3.701 7.316 1.00 0.00 O ATOM 827 CB ALA A 51 -1.123 3.821 10.247 1.00 0.00 C ATOM 0 H ALA A 51 -1.329 5.598 7.981 1.00 0.00 H new ATOM 0 HA ALA A 51 0.421 3.405 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.193 2.783 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.464 4.368 10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.114 4.274 10.262 1.00 0.00 H new ATOM 833 N ARG A 52 -1.171 1.860 7.595 1.00 0.00 N ATOM 834 CA ARG A 52 -1.929 1.074 6.604 1.00 0.00 C ATOM 835 C ARG A 52 -3.325 0.682 7.151 1.00 0.00 C ATOM 836 O ARG A 52 -3.458 -0.359 7.806 1.00 0.00 O ATOM 837 CB ARG A 52 -1.168 -0.249 6.225 1.00 0.00 C ATOM 838 CG ARG A 52 0.336 -0.131 5.869 1.00 0.00 C ATOM 839 CD ARG A 52 0.633 0.469 4.489 1.00 0.00 C ATOM 840 NE ARG A 52 0.281 -0.434 3.360 1.00 0.00 N ATOM 841 CZ ARG A 52 0.797 -0.361 2.092 1.00 0.00 C ATOM 842 NH1 ARG A 52 1.667 0.586 1.748 1.00 0.00 N ATOM 843 NH2 ARG A 52 0.424 -1.231 1.176 1.00 0.00 N ATOM 0 H ARG A 52 -0.421 1.345 8.056 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.038 1.705 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.263 -0.943 7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.681 -0.701 5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.826 0.480 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.785 -1.123 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.082 1.403 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.693 0.716 4.429 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.402 -1.169 3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.964 1.279 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.036 0.618 0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.250 -1.960 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.809 -1.175 0.233 1.00 0.00 H new ATOM 857 N ILE A 53 -4.341 1.516 6.951 1.00 0.00 N ATOM 858 CA ILE A 53 -5.673 1.160 7.369 1.00 0.00 C ATOM 859 C ILE A 53 -6.485 1.086 6.125 1.00 0.00 C ATOM 860 O ILE A 53 -6.455 2.005 5.351 1.00 0.00 O ATOM 861 CB ILE A 53 -6.376 2.179 8.338 1.00 0.00 C ATOM 862 CG1 ILE A 53 -5.624 2.412 9.651 1.00 0.00 C ATOM 863 CG2 ILE A 53 -7.789 1.721 8.660 1.00 0.00 C ATOM 864 CD1 ILE A 53 -4.516 3.408 9.572 1.00 0.00 C ATOM 0 H ILE A 53 -4.260 2.430 6.507 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.598 0.229 7.931 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.386 3.127 7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.336 2.742 10.407 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.215 1.461 9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.260 2.439 9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.368 1.652 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.754 0.743 9.140 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.044 3.505 10.549 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.777 3.074 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.916 4.374 9.265 1.00 0.00 H new ATOM 876 N ILE A 54 -7.171 0.001 5.929 1.00 0.00 N ATOM 877 CA ILE A 54 -7.993 -0.179 4.755 1.00 0.00 C ATOM 878 C ILE A 54 -9.414 0.305 5.072 1.00 0.00 C ATOM 879 O ILE A 54 -10.237 0.524 4.194 1.00 0.00 O ATOM 880 CB ILE A 54 -7.974 -1.681 4.334 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.508 -2.118 4.115 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.807 -1.934 3.074 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.316 -3.561 3.706 1.00 0.00 C ATOM 0 H ILE A 54 -7.182 -0.789 6.574 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.608 0.404 3.919 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.425 -2.272 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.067 -1.479 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.953 -1.942 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.766 -2.992 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.842 -1.645 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.407 -1.344 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.253 -3.765 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.720 -4.215 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.836 -3.745 2.766 1.00 0.00 H new ATOM 895 N GLY A 55 -9.698 0.431 6.361 1.00 0.00 N ATOM 896 CA GLY A 55 -10.989 0.930 6.825 1.00 0.00 C ATOM 897 C GLY A 55 -11.986 -0.182 6.956 1.00 0.00 C ATOM 898 O GLY A 55 -13.026 -0.056 7.626 1.00 0.00 O ATOM 0 H GLY A 55 -9.048 0.193 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.865 1.426 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.365 1.678 6.127 1.00 0.00 H new ATOM 902 N ILE A 56 -11.661 -1.254 6.318 1.00 0.00 N ATOM 903 CA ILE A 56 -12.429 -2.439 6.281 1.00 0.00 C ATOM 904 C ILE A 56 -11.558 -3.526 6.869 1.00 0.00 C ATOM 905 O ILE A 56 -10.589 -3.937 6.229 1.00 0.00 O ATOM 906 CB ILE A 56 -12.795 -2.771 4.809 1.00 0.00 C ATOM 907 CG1 ILE A 56 -13.614 -1.610 4.213 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.558 -4.092 4.714 1.00 0.00 C ATOM 909 CD1 ILE A 56 -13.886 -1.723 2.737 1.00 0.00 C ATOM 0 H ILE A 56 -10.799 -1.325 5.778 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.359 -2.340 6.841 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.877 -2.890 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.566 -1.547 4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.084 -0.676 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.801 -4.298 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.940 -4.898 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.478 -4.023 5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.468 -0.862 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.941 -1.752 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.446 -2.637 2.539 1.00 0.00 H new ATOM 921 N PRO A 57 -11.852 -3.944 8.123 1.00 0.00 N ATOM 922 CA PRO A 57 -11.068 -4.955 8.851 1.00 0.00 C ATOM 923 C PRO A 57 -10.893 -6.238 8.055 1.00 0.00 C ATOM 924 O PRO A 57 -11.861 -6.965 7.817 1.00 0.00 O ATOM 925 CB PRO A 57 -11.905 -5.232 10.099 1.00 0.00 C ATOM 926 CG PRO A 57 -12.704 -3.998 10.294 1.00 0.00 C ATOM 927 CD PRO A 57 -12.993 -3.470 8.925 1.00 0.00 C ATOM 0 HA PRO A 57 -10.059 -4.601 9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.547 -6.102 9.961 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.273 -5.436 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.627 -4.213 10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.153 -3.267 10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.939 -3.850 8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.061 -2.382 8.921 1.00 0.00 H new ATOM 935 N PRO A 58 -9.683 -6.520 7.597 1.00 0.00 N ATOM 936 CA PRO A 58 -9.401 -7.690 6.833 1.00 0.00 C ATOM 937 C PRO A 58 -8.871 -8.810 7.699 1.00 0.00 C ATOM 938 O PRO A 58 -8.696 -8.648 8.909 1.00 0.00 O ATOM 939 CB PRO A 58 -8.293 -7.211 5.894 1.00 0.00 C ATOM 940 CG PRO A 58 -7.624 -6.062 6.593 1.00 0.00 C ATOM 941 CD PRO A 58 -8.474 -5.705 7.782 1.00 0.00 C ATOM 0 HA PRO A 58 -10.285 -8.086 6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.581 -8.011 5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.704 -6.898 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.618 -6.338 6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.525 -5.209 5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.971 -5.940 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.707 -4.640 7.804 1.00 0.00 H new ATOM 949 N VAL A 59 -8.677 -9.949 7.095 1.00 0.00 N ATOM 950 CA VAL A 59 -8.093 -11.082 7.774 1.00 0.00 C ATOM 951 C VAL A 59 -6.582 -10.898 7.667 1.00 0.00 C ATOM 952 O VAL A 59 -6.047 -11.018 6.575 1.00 0.00 O ATOM 953 CB VAL A 59 -8.483 -12.411 7.075 1.00 0.00 C ATOM 954 CG1 VAL A 59 -7.955 -13.608 7.846 1.00 0.00 C ATOM 955 CG2 VAL A 59 -9.985 -12.510 6.894 1.00 0.00 C ATOM 0 H VAL A 59 -8.917 -10.123 6.119 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.441 -11.132 8.806 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.022 -12.415 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.243 -14.526 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.868 -13.551 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.375 -13.607 8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.231 -13.451 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.472 -12.472 7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.333 -11.678 6.282 1.00 0.00 H new ATOM 965 N PRO A 60 -5.885 -10.526 8.748 1.00 0.00 N ATOM 966 CA PRO A 60 -4.474 -10.234 8.694 1.00 0.00 C ATOM 967 C PRO A 60 -3.586 -11.450 8.954 1.00 0.00 C ATOM 968 O PRO A 60 -3.412 -11.888 10.103 1.00 0.00 O ATOM 969 CB PRO A 60 -4.288 -9.165 9.789 1.00 0.00 C ATOM 970 CG PRO A 60 -5.571 -9.169 10.591 1.00 0.00 C ATOM 971 CD PRO A 60 -6.388 -10.343 10.109 1.00 0.00 C ATOM 0 HA PRO A 60 -4.174 -9.904 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.431 -9.398 10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.104 -8.184 9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.360 -9.258 11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.117 -8.236 10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.231 -11.229 10.724 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.457 -10.130 10.124 1.00 0.00 H new ATOM 979 N ILE A 61 -3.068 -12.018 7.887 1.00 0.00 N ATOM 980 CA ILE A 61 -2.162 -13.152 7.966 1.00 0.00 C ATOM 981 C ILE A 61 -0.998 -12.872 7.018 1.00 0.00 C ATOM 982 O ILE A 61 -1.031 -13.254 5.853 1.00 0.00 O ATOM 983 CB ILE A 61 -2.844 -14.484 7.521 1.00 0.00 C ATOM 984 CG1 ILE A 61 -4.183 -14.684 8.241 1.00 0.00 C ATOM 985 CG2 ILE A 61 -1.915 -15.671 7.805 1.00 0.00 C ATOM 986 CD1 ILE A 61 -4.986 -15.857 7.727 1.00 0.00 C ATOM 0 H ILE A 61 -3.262 -11.708 6.935 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.841 -13.271 9.001 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.037 -14.426 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.995 -14.824 9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.778 -13.776 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.400 -16.596 7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.984 -15.544 7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.701 -15.718 8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.919 -15.932 8.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.207 -15.711 6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.412 -16.775 7.854 1.00 0.00 H new ATOM 998 N GLY A 62 0.003 -12.182 7.477 1.00 0.00 N ATOM 999 CA GLY A 62 1.060 -11.848 6.576 1.00 0.00 C ATOM 1000 C GLY A 62 2.446 -12.022 7.116 1.00 0.00 C ATOM 1001 O GLY A 62 2.677 -11.876 8.323 1.00 0.00 O ATOM 0 H GLY A 62 0.109 -11.850 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.958 -12.461 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.937 -10.810 6.267 1.00 0.00 H new ATOM 1005 N ILE A 63 3.367 -12.297 6.217 1.00 0.00 N ATOM 1006 CA ILE A 63 4.756 -12.508 6.536 1.00 0.00 C ATOM 1007 C ILE A 63 5.544 -11.243 6.185 1.00 0.00 C ATOM 1008 O ILE A 63 5.789 -10.947 5.007 1.00 0.00 O ATOM 1009 CB ILE A 63 5.326 -13.704 5.723 1.00 0.00 C ATOM 1010 CG1 ILE A 63 4.446 -14.951 5.920 1.00 0.00 C ATOM 1011 CG2 ILE A 63 6.770 -13.995 6.138 1.00 0.00 C ATOM 1012 CD1 ILE A 63 4.836 -16.128 5.050 1.00 0.00 C ATOM 0 H ILE A 63 3.162 -12.381 5.221 1.00 0.00 H new ATOM 0 HA ILE A 63 4.846 -12.730 7.599 1.00 0.00 H new ATOM 0 HB ILE A 63 5.320 -13.439 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.494 -15.255 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.409 -14.687 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.153 -14.835 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.386 -13.115 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.801 -14.242 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.167 -16.965 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.760 -15.845 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.862 -16.422 5.273 1.00 0.00 H new ATOM 1024 N ASP A 64 5.900 -10.492 7.184 1.00 0.00 N ATOM 1025 CA ASP A 64 6.654 -9.264 6.991 1.00 0.00 C ATOM 1026 C ASP A 64 8.128 -9.532 7.111 1.00 0.00 C ATOM 1027 O ASP A 64 8.654 -9.647 8.229 1.00 0.00 O ATOM 1028 CB ASP A 64 6.243 -8.162 7.990 1.00 0.00 C ATOM 1029 CG ASP A 64 5.011 -7.369 7.592 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.898 -7.921 7.556 1.00 0.00 O ATOM 1031 OD2 ASP A 64 5.143 -6.150 7.326 1.00 0.00 O ATOM 0 H ASP A 64 5.682 -10.702 8.158 1.00 0.00 H new ATOM 0 HA ASP A 64 6.426 -8.904 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.064 -8.621 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.078 -7.472 8.112 1.00 0.00 H new ATOM 1036 N GLU A 65 8.802 -9.672 5.974 1.00 0.00 N ATOM 1037 CA GLU A 65 10.219 -9.902 5.977 1.00 0.00 C ATOM 1038 C GLU A 65 10.948 -8.610 6.277 1.00 0.00 C ATOM 1039 O GLU A 65 11.490 -8.412 7.372 1.00 0.00 O ATOM 1040 CB GLU A 65 10.660 -10.463 4.626 1.00 0.00 C ATOM 1041 CG GLU A 65 10.169 -11.866 4.357 1.00 0.00 C ATOM 1042 CD GLU A 65 10.765 -12.849 5.324 1.00 0.00 C ATOM 1043 OE1 GLU A 65 11.949 -13.217 5.148 1.00 0.00 O ATOM 1044 OE2 GLU A 65 10.094 -13.266 6.267 1.00 0.00 O ATOM 0 H GLU A 65 8.379 -9.628 5.047 1.00 0.00 H new ATOM 0 HA GLU A 65 10.463 -10.630 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.300 -9.805 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.749 -10.454 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.082 -11.893 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.426 -12.154 3.338 1.00 0.00 H new ATOM 1051 N GLU A 66 10.897 -7.725 5.341 1.00 0.00 N ATOM 1052 CA GLU A 66 11.555 -6.463 5.416 1.00 0.00 C ATOM 1053 C GLU A 66 10.903 -5.639 4.337 1.00 0.00 C ATOM 1054 O GLU A 66 10.154 -6.192 3.538 1.00 0.00 O ATOM 1055 CB GLU A 66 13.053 -6.666 5.140 1.00 0.00 C ATOM 1056 CG GLU A 66 13.966 -5.520 5.526 1.00 0.00 C ATOM 1057 CD GLU A 66 15.415 -5.848 5.252 1.00 0.00 C ATOM 1058 OE1 GLU A 66 16.048 -6.548 6.058 1.00 0.00 O ATOM 1059 OE2 GLU A 66 15.945 -5.428 4.213 1.00 0.00 O ATOM 0 H GLU A 66 10.379 -7.863 4.473 1.00 0.00 H new ATOM 0 HA GLU A 66 11.473 -5.980 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.381 -7.559 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.182 -6.863 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.683 -4.626 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.838 -5.292 6.584 1.00 0.00 H new ATOM 1066 N ARG A 67 11.138 -4.364 4.315 1.00 0.00 N ATOM 1067 CA ARG A 67 10.530 -3.511 3.309 1.00 0.00 C ATOM 1068 C ARG A 67 11.341 -3.614 2.044 1.00 0.00 C ATOM 1069 O ARG A 67 10.832 -3.507 0.928 1.00 0.00 O ATOM 1070 CB ARG A 67 10.510 -2.066 3.783 1.00 0.00 C ATOM 1071 CG ARG A 67 9.196 -1.362 3.533 1.00 0.00 C ATOM 1072 CD ARG A 67 8.818 -1.279 2.070 1.00 0.00 C ATOM 1073 NE ARG A 67 7.422 -0.813 1.926 1.00 0.00 N ATOM 1074 CZ ARG A 67 6.837 -0.375 0.810 1.00 0.00 C ATOM 1075 NH1 ARG A 67 7.572 -0.110 -0.262 1.00 0.00 N ATOM 1076 NH2 ARG A 67 5.510 -0.158 0.805 1.00 0.00 N ATOM 0 H ARG A 67 11.744 -3.879 4.977 1.00 0.00 H new ATOM 0 HA ARG A 67 9.504 -3.831 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.728 -2.040 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.307 -1.517 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.406 -1.883 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.251 -0.353 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.492 -0.597 1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.932 -2.257 1.602 1.00 0.00 H new ATOM 0 HE ARG A 67 6.846 -0.828 2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.583 -0.241 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.126 0.225 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.962 -0.328 1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.051 0.177 -0.042 1.00 0.00 H new ATOM 1090 N SER A 68 12.593 -3.832 2.235 1.00 0.00 N ATOM 1091 CA SER A 68 13.541 -3.979 1.188 1.00 0.00 C ATOM 1092 C SER A 68 13.712 -5.448 0.791 1.00 0.00 C ATOM 1093 O SER A 68 14.741 -5.878 0.269 1.00 0.00 O ATOM 1094 CB SER A 68 14.812 -3.349 1.662 1.00 0.00 C ATOM 1095 OG SER A 68 14.848 -3.398 3.081 1.00 0.00 O ATOM 0 H SER A 68 13.003 -3.917 3.165 1.00 0.00 H new ATOM 0 HA SER A 68 13.205 -3.482 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.671 -3.874 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.872 -2.316 1.319 1.00 0.00 H new ATOM 0 HG SER A 68 15.595 -3.963 3.370 1.00 0.00 H new ATOM 1101 N THR A 69 12.668 -6.162 0.992 1.00 0.00 N ATOM 1102 CA THR A 69 12.551 -7.564 0.717 1.00 0.00 C ATOM 1103 C THR A 69 11.069 -7.764 0.448 1.00 0.00 C ATOM 1104 O THR A 69 10.298 -6.860 0.744 1.00 0.00 O ATOM 1105 CB THR A 69 12.995 -8.397 1.963 1.00 0.00 C ATOM 1106 OG1 THR A 69 14.328 -8.012 2.357 1.00 0.00 O ATOM 1107 CG2 THR A 69 12.984 -9.897 1.679 1.00 0.00 C ATOM 0 H THR A 69 11.811 -5.767 1.378 1.00 0.00 H new ATOM 0 HA THR A 69 13.176 -7.886 -0.116 1.00 0.00 H new ATOM 0 HB THR A 69 12.283 -8.191 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.602 -8.535 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.299 -10.439 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.976 -10.208 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.669 -10.117 0.860 1.00 0.00 H new ATOM 1115 N VAL A 70 10.668 -8.888 -0.094 1.00 0.00 N ATOM 1116 CA VAL A 70 9.286 -9.107 -0.398 1.00 0.00 C ATOM 1117 C VAL A 70 8.505 -9.435 0.849 1.00 0.00 C ATOM 1118 O VAL A 70 8.636 -10.516 1.429 1.00 0.00 O ATOM 1119 CB VAL A 70 9.040 -10.207 -1.505 1.00 0.00 C ATOM 1120 CG1 VAL A 70 9.531 -9.750 -2.858 1.00 0.00 C ATOM 1121 CG2 VAL A 70 9.669 -11.560 -1.153 1.00 0.00 C ATOM 0 H VAL A 70 11.286 -9.664 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 70 8.926 -8.167 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 70 7.960 -10.348 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.346 -10.531 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.002 -8.843 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.600 -9.546 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.466 -12.274 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.746 -11.441 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.242 -11.928 -0.220 1.00 0.00 H new ATOM 1131 N MET A 71 7.769 -8.482 1.335 1.00 0.00 N ATOM 1132 CA MET A 71 6.943 -8.776 2.454 1.00 0.00 C ATOM 1133 C MET A 71 5.714 -9.383 1.843 1.00 0.00 C ATOM 1134 O MET A 71 5.087 -8.770 0.982 1.00 0.00 O ATOM 1135 CB MET A 71 6.622 -7.540 3.355 1.00 0.00 C ATOM 1136 CG MET A 71 5.661 -6.502 2.786 1.00 0.00 C ATOM 1137 SD MET A 71 5.333 -5.159 3.953 1.00 0.00 S ATOM 1138 CE MET A 71 3.986 -4.301 3.125 1.00 0.00 C ATOM 0 H MET A 71 7.726 -7.525 0.985 1.00 0.00 H new ATOM 0 HA MET A 71 7.444 -9.446 3.152 1.00 0.00 H new ATOM 0 HB2 MET A 71 6.210 -7.904 4.296 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.561 -7.039 3.591 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.078 -6.089 1.868 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.722 -6.987 2.520 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.277 -3.268 2.932 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.764 -4.798 2.181 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.100 -4.316 3.760 1.00 0.00 H new ATOM 1148 N ILE A 72 5.425 -10.599 2.185 1.00 0.00 N ATOM 1149 CA ILE A 72 4.306 -11.282 1.594 1.00 0.00 C ATOM 1150 C ILE A 72 3.195 -11.427 2.614 1.00 0.00 C ATOM 1151 O ILE A 72 3.163 -12.392 3.388 1.00 0.00 O ATOM 1152 CB ILE A 72 4.704 -12.685 1.034 1.00 0.00 C ATOM 1153 CG1 ILE A 72 5.919 -12.561 0.096 1.00 0.00 C ATOM 1154 CG2 ILE A 72 3.527 -13.307 0.278 1.00 0.00 C ATOM 1155 CD1 ILE A 72 6.428 -13.883 -0.444 1.00 0.00 C ATOM 0 H ILE A 72 5.946 -11.144 2.871 1.00 0.00 H new ATOM 0 HA ILE A 72 3.959 -10.681 0.753 1.00 0.00 H new ATOM 0 HB ILE A 72 4.968 -13.330 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.652 -11.918 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.728 -12.065 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.818 -14.284 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.680 -13.421 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.245 -12.659 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.284 -13.705 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.730 -14.523 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.637 -14.373 -1.011 1.00 0.00 H new ATOM 1167 N PRO A 73 2.311 -10.445 2.712 1.00 0.00 N ATOM 1168 CA PRO A 73 1.227 -10.507 3.601 1.00 0.00 C ATOM 1169 C PRO A 73 -0.023 -11.002 2.903 1.00 0.00 C ATOM 1170 O PRO A 73 -0.065 -11.132 1.665 1.00 0.00 O ATOM 1171 CB PRO A 73 1.060 -9.044 4.061 1.00 0.00 C ATOM 1172 CG PRO A 73 1.845 -8.220 3.074 1.00 0.00 C ATOM 1173 CD PRO A 73 2.314 -9.170 2.005 1.00 0.00 C ATOM 0 HA PRO A 73 1.394 -11.198 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.010 -8.752 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.436 -8.906 5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.226 -7.431 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.691 -7.734 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.645 -9.179 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.306 -8.911 1.635 1.00 0.00 H new ATOM 1181 N TYR A 74 -0.999 -11.332 3.663 1.00 0.00 N ATOM 1182 CA TYR A 74 -2.239 -11.739 3.135 1.00 0.00 C ATOM 1183 C TYR A 74 -3.295 -11.145 3.987 1.00 0.00 C ATOM 1184 O TYR A 74 -3.381 -11.434 5.178 1.00 0.00 O ATOM 1185 CB TYR A 74 -2.375 -13.257 3.083 1.00 0.00 C ATOM 1186 CG TYR A 74 -3.636 -13.733 2.411 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -3.787 -13.620 1.041 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -4.668 -14.304 3.141 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -4.924 -14.059 0.412 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -5.814 -14.746 2.519 1.00 0.00 C ATOM 1191 CZ TYR A 74 -5.939 -14.620 1.150 1.00 0.00 C ATOM 1192 OH TYR A 74 -7.077 -15.079 0.509 1.00 0.00 O ATOM 0 H TYR A 74 -0.956 -11.326 4.682 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.327 -11.396 2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.515 -13.671 2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.346 -13.650 4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.995 -13.178 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.571 -14.403 4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.022 -13.964 -0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.610 -15.189 3.099 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.699 -15.448 1.171 1.00 0.00 H new ATOM 1202 N THR A 75 -4.019 -10.260 3.428 1.00 0.00 N ATOM 1203 CA THR A 75 -5.082 -9.657 4.115 1.00 0.00 C ATOM 1204 C THR A 75 -6.299 -9.788 3.238 1.00 0.00 C ATOM 1205 O THR A 75 -6.181 -9.683 2.018 1.00 0.00 O ATOM 1206 CB THR A 75 -4.788 -8.160 4.431 1.00 0.00 C ATOM 1207 OG1 THR A 75 -4.475 -7.438 3.230 1.00 0.00 O ATOM 1208 CG2 THR A 75 -3.635 -8.003 5.417 1.00 0.00 C ATOM 0 H THR A 75 -3.888 -9.931 2.471 1.00 0.00 H new ATOM 0 HA THR A 75 -5.235 -10.148 5.076 1.00 0.00 H new ATOM 0 HB THR A 75 -5.692 -7.751 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.295 -6.500 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.463 -6.944 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.884 -8.506 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.733 -8.446 4.995 1.00 0.00 H new ATOM 1216 N LYS A 76 -7.435 -10.072 3.797 1.00 0.00 N ATOM 1217 CA LYS A 76 -8.615 -10.163 2.970 1.00 0.00 C ATOM 1218 C LYS A 76 -9.603 -9.031 3.269 1.00 0.00 C ATOM 1219 O LYS A 76 -10.424 -9.136 4.188 1.00 0.00 O ATOM 1220 CB LYS A 76 -9.281 -11.542 3.057 1.00 0.00 C ATOM 1221 CG LYS A 76 -10.433 -11.684 2.087 1.00 0.00 C ATOM 1222 CD LYS A 76 -11.001 -13.079 2.049 1.00 0.00 C ATOM 1223 CE LYS A 76 -12.155 -13.156 1.060 1.00 0.00 C ATOM 1224 NZ LYS A 76 -11.755 -12.752 -0.311 1.00 0.00 N ATOM 0 H LYS A 76 -7.578 -10.242 4.793 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.287 -10.041 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.540 -12.315 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.641 -11.706 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.222 -10.984 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.096 -11.407 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.223 -13.788 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.346 -13.365 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.542 -14.175 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.967 -12.514 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.474 -13.071 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.671 -11.716 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.839 -13.185 -0.547 1.00 0.00 H new ATOM 1238 N PRO A 77 -9.455 -7.886 2.574 1.00 0.00 N ATOM 1239 CA PRO A 77 -10.329 -6.749 2.703 1.00 0.00 C ATOM 1240 C PRO A 77 -11.236 -6.648 1.470 1.00 0.00 C ATOM 1241 O PRO A 77 -11.527 -7.648 0.828 1.00 0.00 O ATOM 1242 CB PRO A 77 -9.312 -5.600 2.685 1.00 0.00 C ATOM 1243 CG PRO A 77 -8.151 -6.109 1.860 1.00 0.00 C ATOM 1244 CD PRO A 77 -8.387 -7.582 1.620 1.00 0.00 C ATOM 0 HA PRO A 77 -10.983 -6.773 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -9.743 -4.700 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.993 -5.341 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.085 -5.571 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.208 -5.950 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.690 -7.783 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.491 -8.174 1.810 1.00 0.00 H new ATOM 1252 N CYS A 78 -11.656 -5.448 1.136 1.00 0.00 N ATOM 1253 CA CYS A 78 -12.472 -5.235 -0.040 1.00 0.00 C ATOM 1254 C CYS A 78 -11.574 -4.696 -1.186 1.00 0.00 C ATOM 1255 O CYS A 78 -12.062 -4.224 -2.221 1.00 0.00 O ATOM 1256 CB CYS A 78 -13.609 -4.249 0.301 1.00 0.00 C ATOM 1257 SG CYS A 78 -14.881 -4.025 -0.975 1.00 0.00 S ATOM 0 H CYS A 78 -11.445 -4.601 1.664 1.00 0.00 H new ATOM 0 HA CYS A 78 -12.924 -6.170 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -14.096 -4.590 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -13.166 -3.277 0.519 1.00 0.00 H new ATOM 0 HG CYS A 78 -14.322 -4.016 -2.148 1.00 0.00 H new ATOM 1263 N TYR A 79 -10.255 -4.793 -0.997 1.00 0.00 N ATOM 1264 CA TYR A 79 -9.301 -4.316 -1.988 1.00 0.00 C ATOM 1265 C TYR A 79 -8.334 -5.435 -2.386 1.00 0.00 C ATOM 1266 O TYR A 79 -8.543 -6.106 -3.398 1.00 0.00 O ATOM 1267 CB TYR A 79 -8.517 -3.081 -1.475 1.00 0.00 C ATOM 1268 CG TYR A 79 -7.636 -2.411 -2.531 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -6.332 -2.830 -2.779 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.122 -1.359 -3.273 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -5.562 -2.212 -3.742 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.366 -0.739 -4.229 1.00 0.00 C ATOM 1273 CZ TYR A 79 -6.093 -1.166 -4.463 1.00 0.00 C ATOM 1274 OH TYR A 79 -5.349 -0.546 -5.415 1.00 0.00 O ATOM 0 H TYR A 79 -9.828 -5.199 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.866 -4.010 -2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.227 -2.348 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.891 -3.386 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.918 -3.649 -2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.130 -1.013 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.552 -2.545 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.775 0.084 -4.795 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.075 -1.199 -6.093 1.00 0.00 H new ATOM 1284 N GLY A 80 -7.314 -5.644 -1.565 1.00 0.00 N ATOM 1285 CA GLY A 80 -6.305 -6.632 -1.827 1.00 0.00 C ATOM 1286 C GLY A 80 -5.109 -6.376 -0.937 1.00 0.00 C ATOM 1287 O GLY A 80 -5.168 -5.488 -0.082 1.00 0.00 O ATOM 0 H GLY A 80 -7.173 -5.125 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.702 -7.631 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.007 -6.595 -2.875 1.00 0.00 H new ATOM 1291 N THR A 81 -4.044 -7.116 -1.132 1.00 0.00 N ATOM 1292 CA THR A 81 -2.850 -7.003 -0.321 1.00 0.00 C ATOM 1293 C THR A 81 -1.640 -6.589 -1.202 1.00 0.00 C ATOM 1294 O THR A 81 -1.643 -6.804 -2.426 1.00 0.00 O ATOM 1295 CB THR A 81 -2.554 -8.358 0.352 1.00 0.00 C ATOM 1296 OG1 THR A 81 -3.761 -8.871 0.923 1.00 0.00 O ATOM 1297 CG2 THR A 81 -1.537 -8.203 1.463 1.00 0.00 C ATOM 0 H THR A 81 -3.979 -7.822 -1.865 1.00 0.00 H new ATOM 0 HA THR A 81 -3.012 -6.241 0.442 1.00 0.00 H new ATOM 0 HB THR A 81 -2.158 -9.035 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.022 -8.317 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.347 -9.174 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.608 -7.807 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.923 -7.516 2.216 1.00 0.00 H new ATOM 1305 N ALA A 82 -0.620 -6.021 -0.576 1.00 0.00 N ATOM 1306 CA ALA A 82 0.550 -5.543 -1.270 1.00 0.00 C ATOM 1307 C ALA A 82 1.790 -6.314 -0.893 1.00 0.00 C ATOM 1308 O ALA A 82 2.110 -6.433 0.283 1.00 0.00 O ATOM 1309 CB ALA A 82 0.789 -4.094 -0.909 1.00 0.00 C ATOM 0 H ALA A 82 -0.588 -5.881 0.434 1.00 0.00 H new ATOM 0 HA ALA A 82 0.364 -5.670 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.673 -3.730 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.076 -3.499 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.943 -4.008 0.167 1.00 0.00 H new ATOM 1315 N VAL A 83 2.461 -6.839 -1.872 1.00 0.00 N ATOM 1316 CA VAL A 83 3.714 -7.509 -1.661 1.00 0.00 C ATOM 1317 C VAL A 83 4.720 -6.536 -2.225 1.00 0.00 C ATOM 1318 O VAL A 83 4.767 -6.298 -3.420 1.00 0.00 O ATOM 1319 CB VAL A 83 3.799 -8.875 -2.397 1.00 0.00 C ATOM 1320 CG1 VAL A 83 5.107 -9.580 -2.075 1.00 0.00 C ATOM 1321 CG2 VAL A 83 2.611 -9.765 -2.043 1.00 0.00 C ATOM 0 H VAL A 83 2.156 -6.816 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 83 3.873 -7.754 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 83 3.767 -8.679 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.145 -10.534 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.944 -8.957 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.171 -9.755 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.697 -10.714 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.601 -9.948 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.685 -9.269 -2.335 1.00 0.00 H new ATOM 1331 N VAL A 84 5.449 -5.918 -1.389 1.00 0.00 N ATOM 1332 CA VAL A 84 6.358 -4.903 -1.833 1.00 0.00 C ATOM 1333 C VAL A 84 7.794 -5.309 -1.603 1.00 0.00 C ATOM 1334 O VAL A 84 8.087 -5.991 -0.627 1.00 0.00 O ATOM 1335 CB VAL A 84 6.042 -3.565 -1.088 1.00 0.00 C ATOM 1336 CG1 VAL A 84 4.610 -3.138 -1.357 1.00 0.00 C ATOM 1337 CG2 VAL A 84 6.269 -3.709 0.402 1.00 0.00 C ATOM 0 H VAL A 84 5.447 -6.086 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 84 6.227 -4.764 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 84 6.719 -2.799 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.404 -2.205 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.469 -2.991 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.927 -3.911 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.042 -2.765 0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.619 -4.490 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.310 -3.975 0.587 1.00 0.00 H new ATOM 1347 N GLU A 85 8.658 -4.964 -2.544 1.00 0.00 N ATOM 1348 CA GLU A 85 10.076 -5.215 -2.424 1.00 0.00 C ATOM 1349 C GLU A 85 10.815 -3.961 -2.840 1.00 0.00 C ATOM 1350 O GLU A 85 10.807 -3.575 -4.018 1.00 0.00 O ATOM 1351 CB GLU A 85 10.542 -6.376 -3.297 1.00 0.00 C ATOM 1352 CG GLU A 85 12.031 -6.666 -3.138 1.00 0.00 C ATOM 1353 CD GLU A 85 12.561 -7.676 -4.116 1.00 0.00 C ATOM 1354 OE1 GLU A 85 12.645 -7.369 -5.314 1.00 0.00 O ATOM 1355 OE2 GLU A 85 12.972 -8.769 -3.707 1.00 0.00 O ATOM 0 H GLU A 85 8.390 -4.501 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 85 10.285 -5.483 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.972 -7.269 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.329 -6.149 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.587 -5.736 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.216 -7.024 -2.125 1.00 0.00 H new ATOM 1362 N LEU A 86 11.392 -3.293 -1.907 1.00 0.00 N ATOM 1363 CA LEU A 86 12.124 -2.099 -2.207 1.00 0.00 C ATOM 1364 C LEU A 86 13.620 -2.454 -2.367 1.00 0.00 C ATOM 1365 O LEU A 86 14.177 -3.124 -1.528 1.00 0.00 O ATOM 1366 CB LEU A 86 11.923 -1.089 -1.067 1.00 0.00 C ATOM 1367 CG LEU A 86 12.464 0.323 -1.290 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.655 1.061 -2.341 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.510 1.099 0.013 1.00 0.00 C ATOM 0 H LEU A 86 11.375 -3.549 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 86 11.767 -1.654 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.855 -1.015 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.390 -1.493 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 86 13.485 0.235 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.063 2.062 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.703 0.518 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.617 1.134 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.899 2.100 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.505 1.171 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.159 0.584 0.721 1.00 0.00 H new ATOM 1381 N PRO A 87 14.277 -2.038 -3.462 1.00 0.00 N ATOM 1382 CA PRO A 87 15.716 -2.293 -3.666 1.00 0.00 C ATOM 1383 C PRO A 87 16.563 -1.182 -3.030 1.00 0.00 C ATOM 1384 O PRO A 87 17.763 -1.042 -3.293 1.00 0.00 O ATOM 1385 CB PRO A 87 15.844 -2.263 -5.182 1.00 0.00 C ATOM 1386 CG PRO A 87 14.824 -1.270 -5.618 1.00 0.00 C ATOM 1387 CD PRO A 87 13.695 -1.325 -4.609 1.00 0.00 C ATOM 0 HA PRO A 87 16.061 -3.224 -3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.846 -1.965 -5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.655 -3.245 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.254 -0.269 -5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 87 14.460 -1.505 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.360 -0.326 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.828 -1.852 -5.008 1.00 0.00 H new ATOM 1395 N VAL A 88 15.912 -0.402 -2.217 1.00 0.00 N ATOM 1396 CA VAL A 88 16.511 0.679 -1.496 1.00 0.00 C ATOM 1397 C VAL A 88 16.388 0.312 -0.028 1.00 0.00 C ATOM 1398 O VAL A 88 15.581 -0.560 0.318 1.00 0.00 O ATOM 1399 CB VAL A 88 15.757 2.030 -1.766 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.495 3.229 -1.170 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.505 2.238 -3.256 1.00 0.00 C ATOM 0 H VAL A 88 14.914 -0.506 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 88 17.547 0.824 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 88 14.792 1.957 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.937 4.141 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.586 3.101 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.489 3.301 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.982 3.182 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.457 2.261 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.896 1.419 -3.640 1.00 0.00 H new ATOM 1411 N ASP A 89 17.191 0.902 0.802 1.00 0.00 N ATOM 1412 CA ASP A 89 17.158 0.646 2.235 1.00 0.00 C ATOM 1413 C ASP A 89 15.821 1.141 2.831 1.00 0.00 C ATOM 1414 O ASP A 89 15.254 2.142 2.342 1.00 0.00 O ATOM 1415 CB ASP A 89 18.347 1.364 2.889 1.00 0.00 C ATOM 1416 CG ASP A 89 18.464 1.150 4.381 1.00 0.00 C ATOM 1417 OD1 ASP A 89 17.679 1.711 5.147 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.377 0.434 4.812 1.00 0.00 O ATOM 0 H ASP A 89 17.897 1.581 0.517 1.00 0.00 H new ATOM 0 HA ASP A 89 17.234 -0.424 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.267 1.025 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.262 2.433 2.693 1.00 0.00 H new ATOM 1423 N PRO A 90 15.279 0.440 3.875 1.00 0.00 N ATOM 1424 CA PRO A 90 14.026 0.815 4.552 1.00 0.00 C ATOM 1425 C PRO A 90 14.010 2.269 5.079 1.00 0.00 C ATOM 1426 O PRO A 90 12.951 2.786 5.419 1.00 0.00 O ATOM 1427 CB PRO A 90 13.909 -0.182 5.721 1.00 0.00 C ATOM 1428 CG PRO A 90 15.256 -0.804 5.840 1.00 0.00 C ATOM 1429 CD PRO A 90 15.831 -0.797 4.459 1.00 0.00 C ATOM 0 HA PRO A 90 13.191 0.773 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.626 0.325 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.145 -0.933 5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.887 -0.242 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.185 -1.820 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.921 -0.784 4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.532 -1.679 3.893 1.00 0.00 H new ATOM 1437 N GLU A 91 15.180 2.923 5.130 1.00 0.00 N ATOM 1438 CA GLU A 91 15.289 4.329 5.548 1.00 0.00 C ATOM 1439 C GLU A 91 14.496 5.228 4.599 1.00 0.00 C ATOM 1440 O GLU A 91 14.110 6.341 4.954 1.00 0.00 O ATOM 1441 CB GLU A 91 16.748 4.787 5.564 1.00 0.00 C ATOM 1442 CG GLU A 91 17.425 4.669 4.211 1.00 0.00 C ATOM 1443 CD GLU A 91 18.829 5.182 4.204 1.00 0.00 C ATOM 1444 OE1 GLU A 91 19.753 4.458 4.636 1.00 0.00 O ATOM 1445 OE2 GLU A 91 19.045 6.320 3.752 1.00 0.00 O ATOM 0 H GLU A 91 16.073 2.495 4.884 1.00 0.00 H new ATOM 0 HA GLU A 91 14.882 4.406 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.793 5.824 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.301 4.194 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.426 3.623 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.842 5.218 3.472 1.00 0.00 H new ATOM 1452 N GLU A 92 14.229 4.723 3.392 1.00 0.00 N ATOM 1453 CA GLU A 92 13.458 5.458 2.415 1.00 0.00 C ATOM 1454 C GLU A 92 12.043 5.650 2.955 1.00 0.00 C ATOM 1455 O GLU A 92 11.395 6.668 2.722 1.00 0.00 O ATOM 1456 CB GLU A 92 13.412 4.700 1.085 1.00 0.00 C ATOM 1457 CG GLU A 92 12.995 5.559 -0.099 1.00 0.00 C ATOM 1458 CD GLU A 92 13.998 6.657 -0.385 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.168 7.555 0.448 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.645 6.637 -1.453 1.00 0.00 O ATOM 0 H GLU A 92 14.541 3.804 3.078 1.00 0.00 H new ATOM 0 HA GLU A 92 13.925 6.427 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.396 4.276 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.718 3.865 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.885 4.930 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.019 6.002 0.101 1.00 0.00 H new ATOM 1467 N ILE A 93 11.614 4.688 3.751 1.00 0.00 N ATOM 1468 CA ILE A 93 10.313 4.701 4.356 1.00 0.00 C ATOM 1469 C ILE A 93 10.246 5.781 5.413 1.00 0.00 C ATOM 1470 O ILE A 93 9.224 6.379 5.592 1.00 0.00 O ATOM 1471 CB ILE A 93 9.977 3.333 4.984 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.003 2.241 3.916 1.00 0.00 C ATOM 1473 CG2 ILE A 93 8.630 3.351 5.714 1.00 0.00 C ATOM 1474 CD1 ILE A 93 9.017 2.442 2.770 1.00 0.00 C ATOM 0 H ILE A 93 12.173 3.870 3.993 1.00 0.00 H new ATOM 0 HA ILE A 93 9.579 4.908 3.577 1.00 0.00 H new ATOM 0 HB ILE A 93 10.741 3.115 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.010 2.180 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.795 1.283 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.434 2.367 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.658 4.093 6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.838 3.605 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.109 1.618 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.001 2.470 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.235 3.382 2.263 1.00 0.00 H new ATOM 1486 N GLU A 94 11.368 6.060 6.066 1.00 0.00 N ATOM 1487 CA GLU A 94 11.429 7.089 7.104 1.00 0.00 C ATOM 1488 C GLU A 94 11.110 8.458 6.484 1.00 0.00 C ATOM 1489 O GLU A 94 10.384 9.280 7.070 1.00 0.00 O ATOM 1490 CB GLU A 94 12.808 7.092 7.755 1.00 0.00 C ATOM 1491 CG GLU A 94 12.959 8.059 8.907 1.00 0.00 C ATOM 1492 CD GLU A 94 14.349 8.051 9.461 1.00 0.00 C ATOM 1493 OE1 GLU A 94 14.635 7.253 10.391 1.00 0.00 O ATOM 1494 OE2 GLU A 94 15.184 8.818 8.986 1.00 0.00 O ATOM 0 H GLU A 94 12.255 5.586 5.895 1.00 0.00 H new ATOM 0 HA GLU A 94 10.691 6.875 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.029 6.086 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.553 7.332 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.707 9.065 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.252 7.799 9.695 1.00 0.00 H new ATOM 1501 N ARG A 95 11.628 8.664 5.276 1.00 0.00 N ATOM 1502 CA ARG A 95 11.383 9.878 4.500 1.00 0.00 C ATOM 1503 C ARG A 95 9.897 9.929 4.152 1.00 0.00 C ATOM 1504 O ARG A 95 9.201 10.919 4.372 1.00 0.00 O ATOM 1505 CB ARG A 95 12.164 9.816 3.180 1.00 0.00 C ATOM 1506 CG ARG A 95 12.004 11.056 2.312 1.00 0.00 C ATOM 1507 CD ARG A 95 12.152 10.743 0.825 1.00 0.00 C ATOM 1508 NE ARG A 95 13.420 10.091 0.471 1.00 0.00 N ATOM 1509 CZ ARG A 95 14.410 10.641 -0.242 1.00 0.00 C ATOM 1510 NH1 ARG A 95 14.407 11.937 -0.531 1.00 0.00 N ATOM 1511 NH2 ARG A 95 15.414 9.876 -0.644 1.00 0.00 N ATOM 0 H ARG A 95 12.232 7.991 4.805 1.00 0.00 H new ATOM 0 HA ARG A 95 11.691 10.749 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.222 9.673 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.835 8.944 2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.025 11.500 2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.748 11.798 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.327 10.101 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.063 11.670 0.259 1.00 0.00 H new ATOM 0 HE ARG A 95 13.558 9.135 0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.642 12.530 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.170 12.340 -1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.425 8.883 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.176 10.280 -1.188 1.00 0.00 H new ATOM 1525 N ILE A 96 9.420 8.812 3.652 1.00 0.00 N ATOM 1526 CA ILE A 96 8.056 8.648 3.210 1.00 0.00 C ATOM 1527 C ILE A 96 7.068 8.673 4.417 1.00 0.00 C ATOM 1528 O ILE A 96 5.892 8.962 4.271 1.00 0.00 O ATOM 1529 CB ILE A 96 7.952 7.349 2.338 1.00 0.00 C ATOM 1530 CG1 ILE A 96 8.848 7.491 1.090 1.00 0.00 C ATOM 1531 CG2 ILE A 96 6.530 7.066 1.908 1.00 0.00 C ATOM 1532 CD1 ILE A 96 8.911 6.248 0.220 1.00 0.00 C ATOM 0 H ILE A 96 9.986 7.971 3.539 1.00 0.00 H new ATOM 0 HA ILE A 96 7.761 9.488 2.581 1.00 0.00 H new ATOM 0 HB ILE A 96 8.287 6.512 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.483 8.323 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.858 7.748 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.506 6.157 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.903 6.934 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.155 7.902 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.562 6.434 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.306 5.416 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.910 6.000 -0.134 1.00 0.00 H new ATOM 1544 N LEU A 97 7.596 8.431 5.603 1.00 0.00 N ATOM 1545 CA LEU A 97 6.844 8.466 6.855 1.00 0.00 C ATOM 1546 C LEU A 97 6.620 9.910 7.272 1.00 0.00 C ATOM 1547 O LEU A 97 5.661 10.223 7.965 1.00 0.00 O ATOM 1548 CB LEU A 97 7.617 7.709 7.957 1.00 0.00 C ATOM 1549 CG LEU A 97 7.015 7.706 9.374 1.00 0.00 C ATOM 1550 CD1 LEU A 97 5.670 6.997 9.411 1.00 0.00 C ATOM 1551 CD2 LEU A 97 7.985 7.073 10.361 1.00 0.00 C ATOM 0 H LEU A 97 8.581 8.199 5.731 1.00 0.00 H new ATOM 0 HA LEU A 97 5.879 7.981 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.730 6.673 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.619 8.135 8.018 1.00 0.00 H new ATOM 0 HG LEU A 97 6.845 8.743 9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.277 7.015 10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.973 7.504 8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.795 5.963 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.545 7.078 11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.191 6.046 10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.915 7.641 10.372 1.00 0.00 H new ATOM 1563 N GLU A 98 7.514 10.779 6.842 1.00 0.00 N ATOM 1564 CA GLU A 98 7.397 12.201 7.127 1.00 0.00 C ATOM 1565 C GLU A 98 6.341 12.755 6.237 1.00 0.00 C ATOM 1566 O GLU A 98 5.554 13.629 6.640 1.00 0.00 O ATOM 1567 CB GLU A 98 8.718 12.880 6.893 1.00 0.00 C ATOM 1568 CG GLU A 98 8.794 14.302 7.407 1.00 0.00 C ATOM 1569 CD GLU A 98 10.181 14.858 7.341 1.00 0.00 C ATOM 1570 OE1 GLU A 98 10.588 15.342 6.279 1.00 0.00 O ATOM 1571 OE2 GLU A 98 10.900 14.806 8.366 1.00 0.00 O ATOM 0 H GLU A 98 8.334 10.526 6.291 1.00 0.00 H new ATOM 0 HA GLU A 98 7.124 12.369 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.503 12.293 7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.926 12.882 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.124 14.933 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.442 14.332 8.438 1.00 0.00 H new ATOM 1578 N VAL A 99 6.333 12.234 5.034 1.00 0.00 N ATOM 1579 CA VAL A 99 5.351 12.556 4.064 1.00 0.00 C ATOM 1580 C VAL A 99 4.046 12.104 4.639 1.00 0.00 C ATOM 1581 O VAL A 99 3.233 12.932 5.041 1.00 0.00 O ATOM 1582 CB VAL A 99 5.678 11.854 2.733 1.00 0.00 C ATOM 1583 CG1 VAL A 99 4.536 11.984 1.725 1.00 0.00 C ATOM 1584 CG2 VAL A 99 6.955 12.436 2.137 1.00 0.00 C ATOM 0 H VAL A 99 7.029 11.562 4.709 1.00 0.00 H new ATOM 0 HA VAL A 99 5.315 13.623 3.843 1.00 0.00 H new ATOM 0 HB VAL A 99 5.818 10.794 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.807 11.475 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.634 11.532 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.351 13.038 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.179 11.934 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.819 13.502 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.781 12.289 2.832 1.00 0.00 H new ATOM 1594 N ALA A 100 3.936 10.801 4.795 1.00 0.00 N ATOM 1595 CA ALA A 100 2.813 10.086 5.387 1.00 0.00 C ATOM 1596 C ALA A 100 1.479 10.299 4.692 1.00 0.00 C ATOM 1597 O ALA A 100 0.823 9.344 4.283 1.00 0.00 O ATOM 1598 CB ALA A 100 2.700 10.339 6.883 1.00 0.00 C ATOM 0 H ALA A 100 4.676 10.167 4.493 1.00 0.00 H new ATOM 0 HA ALA A 100 3.053 9.034 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.849 9.786 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.613 10.008 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.557 11.405 7.062 1.00 0.00 H new ATOM 1604 N GLU A 101 1.095 11.525 4.617 1.00 0.00 N ATOM 1605 CA GLU A 101 -0.145 11.938 4.010 1.00 0.00 C ATOM 1606 C GLU A 101 0.052 13.044 2.959 1.00 0.00 C ATOM 1607 O GLU A 101 -0.127 12.777 1.773 1.00 0.00 O ATOM 1608 CB GLU A 101 -1.222 12.286 5.058 1.00 0.00 C ATOM 1609 CG GLU A 101 -1.926 11.109 5.663 1.00 0.00 C ATOM 1610 CD GLU A 101 -2.980 11.540 6.625 1.00 0.00 C ATOM 1611 OE1 GLU A 101 -4.053 12.029 6.185 1.00 0.00 O ATOM 1612 OE2 GLU A 101 -2.761 11.432 7.836 1.00 0.00 O ATOM 0 H GLU A 101 1.645 12.301 4.985 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.526 11.076 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.756 12.861 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.965 12.933 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.376 10.507 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.203 10.474 6.174 1.00 0.00 H new ATOM 1619 N PRO A 102 0.415 14.303 3.334 1.00 0.00 N ATOM 1620 CA PRO A 102 0.606 15.342 2.360 1.00 0.00 C ATOM 1621 C PRO A 102 2.044 15.400 1.837 1.00 0.00 C ATOM 1622 O PRO A 102 2.276 15.020 0.666 1.00 0.00 O ATOM 1623 CB PRO A 102 0.219 16.601 3.118 1.00 0.00 C ATOM 1624 CG PRO A 102 0.530 16.321 4.554 1.00 0.00 C ATOM 1625 CD PRO A 102 0.643 14.822 4.703 1.00 0.00 C ATOM 1626 OXT PRO A 102 2.961 15.809 2.598 1.00 0.00 O ATOM 0 HA PRO A 102 0.011 15.188 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.780 17.463 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.838 16.829 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.460 16.808 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.254 16.714 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.623 14.532 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.096 14.435 5.404 1.00 0.00 H new