USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 502 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 3 HIS : no HE2:sc= 0.267 K(o=0.24,f=-1.4) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.0254 K(o=0.24,f=-2.3!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.8 K(o=1.7,f=-5.8!) USER MOD Set 2.2: A 62 TYR OH : rot 90:sc= 0.874 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0.126 USER MOD Set 3.2: A 14 CYS SG : rot -150:sc= -0.146 USER MOD Set 4.1: A 7 THR OG1 : rot -145:sc= -0.0228 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -155:sc= 1.17 (180deg=-0.0303) USER MOD Set 4.3: A 65 THR OG1 : rot 160:sc= 1.4 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00788) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -123:sc= -0.93 (180deg=-7.07!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0203 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0.618 (180deg=0.543) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -150:sc= -1.89! USER MOD Single : A 48 THR OG1 : rot 120:sc= -0.851 USER MOD Single : A 49 SER OG : rot 180:sc= 0.102 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0468 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.288 -3.513 -0.782 1.00 0.00 N ATOM 2 CA MET A 1 0.752 -2.227 -0.211 1.00 0.00 C ATOM 3 C MET A 1 -0.023 -1.065 -0.819 1.00 0.00 C ATOM 4 O MET A 1 -0.502 -0.184 -0.105 1.00 0.00 O ATOM 5 CB MET A 1 2.249 -2.041 -0.461 1.00 0.00 C ATOM 6 CG MET A 1 2.934 -1.184 0.590 1.00 0.00 C ATOM 7 SD MET A 1 3.587 -2.153 1.965 1.00 0.00 S ATOM 8 CE MET A 1 4.817 -1.019 2.613 1.00 0.00 C ATOM 0 H1 MET A 1 0.802 -4.298 -0.333 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.732 -3.622 -0.608 1.00 0.00 H new ATOM 0 H3 MET A 1 0.467 -3.523 -1.806 1.00 0.00 H new ATOM 0 HA MET A 1 0.574 -2.246 0.864 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.729 -3.019 -0.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.392 -1.585 -1.441 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.748 -0.628 0.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.225 -0.450 0.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.313 -1.472 3.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.555 -0.802 1.840 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.332 -0.093 2.921 1.00 0.00 H new ATOM 20 N THR A 2 -0.141 -1.067 -2.140 1.00 0.00 N ATOM 21 CA THR A 2 -0.886 -0.041 -2.847 1.00 0.00 C ATOM 22 C THR A 2 -2.384 -0.166 -2.564 1.00 0.00 C ATOM 23 O THR A 2 -2.943 -1.263 -2.593 1.00 0.00 O ATOM 24 CB THR A 2 -0.627 -0.142 -4.364 1.00 0.00 C ATOM 25 OG1 THR A 2 0.784 -0.284 -4.601 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.155 1.085 -5.101 1.00 0.00 C ATOM 0 H THR A 2 0.274 -1.775 -2.745 1.00 0.00 H new ATOM 0 HA THR A 2 -0.546 0.932 -2.492 1.00 0.00 H new ATOM 0 HB THR A 2 -1.156 -1.016 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.949 -0.350 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.956 0.982 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.229 1.173 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.657 1.978 -4.724 1.00 0.00 H new ATOM 34 N HIS A 3 -3.020 0.960 -2.268 1.00 0.00 N ATOM 35 CA HIS A 3 -4.442 0.979 -1.963 1.00 0.00 C ATOM 36 C HIS A 3 -5.225 1.560 -3.131 1.00 0.00 C ATOM 37 O HIS A 3 -4.874 2.615 -3.659 1.00 0.00 O ATOM 38 CB HIS A 3 -4.727 1.810 -0.703 1.00 0.00 C ATOM 39 CG HIS A 3 -3.731 1.632 0.405 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.902 2.643 0.850 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.447 0.555 1.175 1.00 0.00 C ATOM 42 CE1 HIS A 3 -2.154 2.189 1.838 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.465 0.928 2.056 1.00 0.00 N ATOM 0 H HIS A 3 -2.570 1.875 -2.233 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.756 -0.050 -1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.758 2.864 -0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.717 1.549 -0.329 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.873 3.591 0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.909 -0.419 1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.411 2.757 2.378 1.00 0.00 H new ATOM 52 N LEU A 4 -6.281 0.879 -3.531 1.00 0.00 N ATOM 53 CA LEU A 4 -7.144 1.377 -4.590 1.00 0.00 C ATOM 54 C LEU A 4 -8.377 2.005 -3.966 1.00 0.00 C ATOM 55 O LEU A 4 -8.676 1.753 -2.801 1.00 0.00 O ATOM 56 CB LEU A 4 -7.540 0.251 -5.550 1.00 0.00 C ATOM 57 CG LEU A 4 -7.156 0.483 -7.015 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.729 0.025 -7.273 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.127 -0.235 -7.939 1.00 0.00 C ATOM 0 H LEU A 4 -6.564 -0.020 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.605 2.127 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.076 -0.675 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.619 0.107 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.213 1.552 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.475 0.198 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.046 0.587 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.642 -1.038 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.840 -0.060 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.103 -1.305 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.135 0.144 -7.773 1.00 0.00 H new ATOM 71 N LYS A 5 -9.086 2.827 -4.716 1.00 0.00 N ATOM 72 CA LYS A 5 -10.244 3.514 -4.169 1.00 0.00 C ATOM 73 C LYS A 5 -11.506 3.130 -4.916 1.00 0.00 C ATOM 74 O LYS A 5 -11.537 3.131 -6.149 1.00 0.00 O ATOM 75 CB LYS A 5 -10.053 5.027 -4.223 1.00 0.00 C ATOM 76 CG LYS A 5 -9.816 5.656 -2.862 1.00 0.00 C ATOM 77 CD LYS A 5 -11.120 5.856 -2.108 1.00 0.00 C ATOM 78 CE LYS A 5 -11.136 7.182 -1.368 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.956 8.201 -2.069 1.00 0.00 N ATOM 0 H LYS A 5 -8.885 3.035 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.347 3.208 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.208 5.256 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.935 5.481 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.150 5.021 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.315 6.616 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.955 5.818 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.260 5.040 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.528 7.031 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.115 7.549 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.940 9.090 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.568 8.365 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.936 7.863 -2.149 1.00 0.00 H new ATOM 93 N ILE A 6 -12.539 2.817 -4.160 1.00 0.00 N ATOM 94 CA ILE A 6 -13.821 2.441 -4.728 1.00 0.00 C ATOM 95 C ILE A 6 -14.718 3.671 -4.789 1.00 0.00 C ATOM 96 O ILE A 6 -14.906 4.369 -3.788 1.00 0.00 O ATOM 97 CB ILE A 6 -14.487 1.291 -3.915 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.256 -0.055 -4.612 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.980 1.523 -3.715 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.796 -0.376 -4.857 1.00 0.00 C ATOM 0 H ILE A 6 -12.516 2.815 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.667 2.061 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.019 1.276 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.695 -0.847 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.783 -0.054 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.403 0.697 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.134 2.456 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.472 1.582 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.714 -1.343 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.355 0.395 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.266 -0.411 -3.905 1.00 0.00 H new ATOM 112 N THR A 7 -15.247 3.954 -5.965 1.00 0.00 N ATOM 113 CA THR A 7 -16.025 5.157 -6.164 1.00 0.00 C ATOM 114 C THR A 7 -17.322 4.851 -6.901 1.00 0.00 C ATOM 115 O THR A 7 -17.403 3.888 -7.672 1.00 0.00 O ATOM 116 CB THR A 7 -15.211 6.205 -6.944 1.00 0.00 C ATOM 117 OG1 THR A 7 -13.973 5.626 -7.383 1.00 0.00 O ATOM 118 CG2 THR A 7 -14.923 7.419 -6.078 1.00 0.00 C ATOM 0 H THR A 7 -15.151 3.367 -6.794 1.00 0.00 H new ATOM 0 HA THR A 7 -16.272 5.562 -5.183 1.00 0.00 H new ATOM 0 HB THR A 7 -15.796 6.524 -7.807 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.267 6.306 -7.359 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.347 8.146 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.863 7.870 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.352 7.113 -5.201 1.00 0.00 H new ATOM 126 N GLY A 8 -18.342 5.648 -6.632 1.00 0.00 N ATOM 127 CA GLY A 8 -19.621 5.470 -7.282 1.00 0.00 C ATOM 128 C GLY A 8 -20.540 4.556 -6.503 1.00 0.00 C ATOM 129 O GLY A 8 -21.718 4.862 -6.316 1.00 0.00 O ATOM 0 H GLY A 8 -18.306 6.422 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.100 6.441 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.465 5.060 -8.280 1.00 0.00 H new ATOM 133 N MET A 9 -20.001 3.439 -6.037 1.00 0.00 N ATOM 134 CA MET A 9 -20.793 2.456 -5.310 1.00 0.00 C ATOM 135 C MET A 9 -20.895 2.813 -3.839 1.00 0.00 C ATOM 136 O MET A 9 -20.208 3.718 -3.354 1.00 0.00 O ATOM 137 CB MET A 9 -20.195 1.064 -5.443 1.00 0.00 C ATOM 138 CG MET A 9 -20.122 0.579 -6.876 1.00 0.00 C ATOM 139 SD MET A 9 -18.910 -0.736 -7.088 1.00 0.00 S ATOM 140 CE MET A 9 -17.385 0.182 -6.889 1.00 0.00 C ATOM 0 H MET A 9 -19.018 3.190 -6.149 1.00 0.00 H new ATOM 0 HA MET A 9 -21.790 2.462 -5.749 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.193 1.064 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.791 0.363 -4.859 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.103 0.220 -7.187 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.867 1.414 -7.528 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.764 0.052 -7.775 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.612 1.240 -6.757 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.850 -0.186 -6.014 1.00 0.00 H new ATOM 150 N THR A 10 -21.744 2.090 -3.132 1.00 0.00 N ATOM 151 CA THR A 10 -21.934 2.296 -1.720 1.00 0.00 C ATOM 152 C THR A 10 -20.883 1.539 -0.910 1.00 0.00 C ATOM 153 O THR A 10 -19.845 2.094 -0.542 1.00 0.00 O ATOM 154 CB THR A 10 -23.328 1.810 -1.316 1.00 0.00 C ATOM 155 OG1 THR A 10 -23.935 1.122 -2.422 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.204 2.971 -0.881 1.00 0.00 C ATOM 0 H THR A 10 -22.318 1.345 -3.527 1.00 0.00 H new ATOM 0 HA THR A 10 -21.833 3.361 -1.512 1.00 0.00 H new ATOM 0 HB THR A 10 -23.228 1.128 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.827 0.809 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.189 2.598 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.747 3.471 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.306 3.678 -1.704 1.00 0.00 H new ATOM 164 N CYS A 11 -21.151 0.252 -0.690 1.00 0.00 N ATOM 165 CA CYS A 11 -20.362 -0.582 0.205 1.00 0.00 C ATOM 166 C CYS A 11 -21.015 -1.952 0.346 1.00 0.00 C ATOM 167 O CYS A 11 -22.231 -2.039 0.516 1.00 0.00 O ATOM 168 CB CYS A 11 -20.233 0.081 1.573 1.00 0.00 C ATOM 169 SG CYS A 11 -21.797 0.635 2.291 1.00 0.00 S ATOM 0 H CYS A 11 -21.927 -0.240 -1.132 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.364 -0.704 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.762 -0.622 2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.565 0.938 1.485 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.574 1.180 3.450 1.00 0.00 H new ATOM 175 N ASP A 12 -20.198 -3.009 0.279 1.00 0.00 N ATOM 176 CA ASP A 12 -20.678 -4.402 0.297 1.00 0.00 C ATOM 177 C ASP A 12 -21.425 -4.730 -0.994 1.00 0.00 C ATOM 178 O ASP A 12 -22.175 -3.900 -1.510 1.00 0.00 O ATOM 179 CB ASP A 12 -21.565 -4.690 1.518 1.00 0.00 C ATOM 180 CG ASP A 12 -21.903 -6.165 1.657 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.102 -7.012 1.212 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.973 -6.483 2.212 1.00 0.00 O ATOM 0 H ASP A 12 -19.184 -2.926 0.211 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.801 -5.045 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.057 -4.350 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.488 -4.115 1.436 1.00 0.00 H new ATOM 187 N SER A 13 -21.192 -5.937 -1.521 1.00 0.00 N ATOM 188 CA SER A 13 -21.736 -6.367 -2.817 1.00 0.00 C ATOM 189 C SER A 13 -21.079 -5.586 -3.956 1.00 0.00 C ATOM 190 O SER A 13 -20.468 -6.172 -4.853 1.00 0.00 O ATOM 191 CB SER A 13 -23.260 -6.213 -2.863 1.00 0.00 C ATOM 192 OG SER A 13 -23.854 -6.652 -1.649 1.00 0.00 O ATOM 0 H SER A 13 -20.620 -6.646 -1.061 1.00 0.00 H new ATOM 0 HA SER A 13 -21.508 -7.425 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.518 -5.169 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.662 -6.788 -3.697 1.00 0.00 H new ATOM 0 HG SER A 13 -24.826 -6.542 -1.702 1.00 0.00 H new ATOM 198 N CYS A 14 -21.181 -4.265 -3.892 1.00 0.00 N ATOM 199 CA CYS A 14 -20.501 -3.391 -4.826 1.00 0.00 C ATOM 200 C CYS A 14 -19.004 -3.639 -4.750 1.00 0.00 C ATOM 201 O CYS A 14 -18.330 -3.818 -5.764 1.00 0.00 O ATOM 202 CB CYS A 14 -20.815 -1.934 -4.480 1.00 0.00 C ATOM 203 SG CYS A 14 -22.563 -1.616 -4.152 1.00 0.00 S ATOM 0 H CYS A 14 -21.737 -3.775 -3.191 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.843 -3.596 -5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.233 -1.646 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.489 -1.298 -5.303 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.852 -0.394 -4.488 1.00 0.00 H new ATOM 209 N ALA A 15 -18.504 -3.692 -3.525 1.00 0.00 N ATOM 210 CA ALA A 15 -17.091 -3.931 -3.289 1.00 0.00 C ATOM 211 C ALA A 15 -16.743 -5.395 -3.518 1.00 0.00 C ATOM 212 O ALA A 15 -15.590 -5.731 -3.765 1.00 0.00 O ATOM 213 CB ALA A 15 -16.708 -3.511 -1.878 1.00 0.00 C ATOM 0 H ALA A 15 -19.059 -3.572 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.523 -3.329 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.646 -3.697 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.914 -2.449 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.289 -4.086 -1.157 1.00 0.00 H new ATOM 219 N ALA A 16 -17.751 -6.257 -3.456 1.00 0.00 N ATOM 220 CA ALA A 16 -17.539 -7.691 -3.611 1.00 0.00 C ATOM 221 C ALA A 16 -17.263 -8.035 -5.067 1.00 0.00 C ATOM 222 O ALA A 16 -16.291 -8.725 -5.379 1.00 0.00 O ATOM 223 CB ALA A 16 -18.739 -8.470 -3.095 1.00 0.00 C ATOM 0 H ALA A 16 -18.722 -5.988 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.668 -7.975 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.561 -9.538 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.890 -8.248 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.628 -8.183 -3.656 1.00 0.00 H new ATOM 229 N HIS A 17 -18.113 -7.533 -5.961 1.00 0.00 N ATOM 230 CA HIS A 17 -17.934 -7.755 -7.390 1.00 0.00 C ATOM 231 C HIS A 17 -16.607 -7.170 -7.846 1.00 0.00 C ATOM 232 O HIS A 17 -15.897 -7.774 -8.649 1.00 0.00 O ATOM 233 CB HIS A 17 -19.083 -7.140 -8.193 1.00 0.00 C ATOM 234 CG HIS A 17 -19.385 -7.881 -9.462 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.868 -7.265 -10.597 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.271 -9.196 -9.773 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.034 -8.166 -11.548 1.00 0.00 C ATOM 238 NE2 HIS A 17 -19.680 -9.347 -11.075 1.00 0.00 N ATOM 0 H HIS A 17 -18.930 -6.972 -5.720 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.933 -8.830 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.979 -7.117 -7.572 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.836 -6.106 -8.434 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -20.066 -6.269 -10.688 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.923 -9.980 -9.117 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.398 -7.970 -12.546 1.00 0.00 H new ATOM 247 N VAL A 18 -16.270 -5.998 -7.312 1.00 0.00 N ATOM 248 CA VAL A 18 -14.997 -5.360 -7.610 1.00 0.00 C ATOM 249 C VAL A 18 -13.846 -6.207 -7.081 1.00 0.00 C ATOM 250 O VAL A 18 -12.876 -6.466 -7.791 1.00 0.00 O ATOM 251 CB VAL A 18 -14.924 -3.940 -7.005 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.507 -3.387 -7.065 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.885 -3.008 -7.722 1.00 0.00 C ATOM 0 H VAL A 18 -16.864 -5.473 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.914 -5.273 -8.693 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.215 -4.007 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.488 -2.387 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.838 -4.039 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.179 -3.339 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.821 -2.012 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.622 -2.957 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.902 -3.385 -7.619 1.00 0.00 H new ATOM 263 N LYS A 19 -13.976 -6.660 -5.838 1.00 0.00 N ATOM 264 CA LYS A 19 -12.959 -7.494 -5.207 1.00 0.00 C ATOM 265 C LYS A 19 -12.683 -8.740 -6.039 1.00 0.00 C ATOM 266 O LYS A 19 -11.531 -9.066 -6.325 1.00 0.00 O ATOM 267 CB LYS A 19 -13.407 -7.900 -3.801 1.00 0.00 C ATOM 268 CG LYS A 19 -12.316 -8.554 -2.972 1.00 0.00 C ATOM 269 CD LYS A 19 -12.764 -9.890 -2.402 1.00 0.00 C ATOM 270 CE LYS A 19 -12.254 -11.050 -3.241 1.00 0.00 C ATOM 271 NZ LYS A 19 -11.774 -12.178 -2.403 1.00 0.00 N ATOM 0 H LYS A 19 -14.781 -6.462 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.040 -6.913 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.768 -7.016 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.249 -8.588 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.430 -8.701 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.030 -7.889 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.401 -9.991 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.853 -9.922 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.051 -11.400 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.443 -10.704 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.327 -12.895 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.080 -11.827 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.578 -12.603 -1.899 1.00 0.00 H new ATOM 285 N GLU A 20 -13.747 -9.435 -6.417 1.00 0.00 N ATOM 286 CA GLU A 20 -13.620 -10.644 -7.216 1.00 0.00 C ATOM 287 C GLU A 20 -13.080 -10.335 -8.604 1.00 0.00 C ATOM 288 O GLU A 20 -12.297 -11.107 -9.156 1.00 0.00 O ATOM 289 CB GLU A 20 -14.965 -11.357 -7.315 1.00 0.00 C ATOM 290 CG GLU A 20 -15.492 -11.830 -5.972 1.00 0.00 C ATOM 291 CD GLU A 20 -15.757 -13.318 -5.940 1.00 0.00 C ATOM 292 OE1 GLU A 20 -16.758 -13.764 -6.539 1.00 0.00 O ATOM 293 OE2 GLU A 20 -14.957 -14.051 -5.326 1.00 0.00 O ATOM 0 H GLU A 20 -14.707 -9.182 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.907 -11.302 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.693 -10.684 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.866 -12.214 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.772 -11.577 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.413 -11.296 -5.739 1.00 0.00 H new ATOM 300 N ALA A 21 -13.488 -9.200 -9.160 1.00 0.00 N ATOM 301 CA ALA A 21 -12.999 -8.780 -10.467 1.00 0.00 C ATOM 302 C ALA A 21 -11.499 -8.543 -10.408 1.00 0.00 C ATOM 303 O ALA A 21 -10.768 -8.857 -11.350 1.00 0.00 O ATOM 304 CB ALA A 21 -13.714 -7.523 -10.939 1.00 0.00 C ATOM 0 H ALA A 21 -14.153 -8.558 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.207 -9.575 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.330 -7.231 -11.917 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.784 -7.719 -11.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.541 -6.717 -10.226 1.00 0.00 H new ATOM 310 N LEU A 22 -11.054 -7.981 -9.290 1.00 0.00 N ATOM 311 CA LEU A 22 -9.642 -7.751 -9.048 1.00 0.00 C ATOM 312 C LEU A 22 -8.912 -9.077 -8.896 1.00 0.00 C ATOM 313 O LEU A 22 -7.894 -9.314 -9.538 1.00 0.00 O ATOM 314 CB LEU A 22 -9.447 -6.902 -7.787 1.00 0.00 C ATOM 315 CG LEU A 22 -9.995 -5.478 -7.866 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.978 -4.827 -6.490 1.00 0.00 C ATOM 317 CD2 LEU A 22 -9.191 -4.653 -8.855 1.00 0.00 C ATOM 0 H LEU A 22 -11.662 -7.674 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.229 -7.213 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.924 -7.411 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.381 -6.851 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.027 -5.523 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.371 -3.813 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.596 -5.408 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.955 -4.793 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.595 -3.642 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.150 -4.614 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.250 -5.110 -9.843 1.00 0.00 H new ATOM 329 N GLU A 23 -9.462 -9.947 -8.056 1.00 0.00 N ATOM 330 CA GLU A 23 -8.837 -11.232 -7.766 1.00 0.00 C ATOM 331 C GLU A 23 -8.932 -12.185 -8.952 1.00 0.00 C ATOM 332 O GLU A 23 -8.284 -13.233 -8.970 1.00 0.00 O ATOM 333 CB GLU A 23 -9.465 -11.861 -6.526 1.00 0.00 C ATOM 334 CG GLU A 23 -8.580 -11.751 -5.299 1.00 0.00 C ATOM 335 CD GLU A 23 -9.146 -12.468 -4.093 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.006 -13.357 -4.265 1.00 0.00 O ATOM 337 OE2 GLU A 23 -8.740 -12.136 -2.962 1.00 0.00 O ATOM 0 H GLU A 23 -10.340 -9.785 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.780 -11.049 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.421 -11.378 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.675 -12.912 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.597 -12.161 -5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.437 -10.698 -5.055 1.00 0.00 H new ATOM 344 N LYS A 24 -9.741 -11.827 -9.944 1.00 0.00 N ATOM 345 CA LYS A 24 -9.798 -12.586 -11.184 1.00 0.00 C ATOM 346 C LYS A 24 -8.556 -12.301 -12.016 1.00 0.00 C ATOM 347 O LYS A 24 -8.223 -13.043 -12.941 1.00 0.00 O ATOM 348 CB LYS A 24 -11.059 -12.241 -11.980 1.00 0.00 C ATOM 349 CG LYS A 24 -11.856 -13.464 -12.413 1.00 0.00 C ATOM 350 CD LYS A 24 -11.579 -13.831 -13.865 1.00 0.00 C ATOM 351 CE LYS A 24 -10.621 -15.010 -13.974 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.338 -16.289 -14.230 1.00 0.00 N ATOM 0 H LYS A 24 -10.363 -11.019 -9.912 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.834 -13.648 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.697 -11.597 -11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.776 -11.669 -12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.606 -14.308 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.921 -13.269 -12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.517 -14.076 -14.364 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.158 -12.970 -14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.910 -14.826 -14.779 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.045 -15.095 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.649 -17.066 -14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.999 -16.479 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.867 -16.218 -15.122 1.00 0.00 H new ATOM 366 N VAL A 25 -7.872 -11.221 -11.670 1.00 0.00 N ATOM 367 CA VAL A 25 -6.611 -10.875 -12.296 1.00 0.00 C ATOM 368 C VAL A 25 -5.475 -11.621 -11.596 1.00 0.00 C ATOM 369 O VAL A 25 -5.310 -11.508 -10.383 1.00 0.00 O ATOM 370 CB VAL A 25 -6.365 -9.352 -12.235 1.00 0.00 C ATOM 371 CG1 VAL A 25 -4.952 -9.000 -12.681 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.391 -8.615 -13.082 1.00 0.00 C ATOM 0 H VAL A 25 -8.176 -10.565 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.648 -11.168 -13.345 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.475 -9.036 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.812 -7.920 -12.626 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.231 -9.493 -12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.801 -9.334 -13.707 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.204 -7.542 -13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.313 -8.946 -14.118 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.392 -8.828 -12.708 1.00 0.00 H new ATOM 382 N PRO A 26 -4.685 -12.397 -12.355 1.00 0.00 N ATOM 383 CA PRO A 26 -3.624 -13.254 -11.798 1.00 0.00 C ATOM 384 C PRO A 26 -2.533 -12.474 -11.062 1.00 0.00 C ATOM 385 O PRO A 26 -1.751 -13.051 -10.307 1.00 0.00 O ATOM 386 CB PRO A 26 -3.032 -13.943 -13.031 1.00 0.00 C ATOM 387 CG PRO A 26 -4.073 -13.818 -14.085 1.00 0.00 C ATOM 388 CD PRO A 26 -4.764 -12.514 -13.819 1.00 0.00 C ATOM 0 HA PRO A 26 -4.028 -13.937 -11.051 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.101 -13.467 -13.339 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.803 -14.989 -12.826 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.627 -13.829 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.776 -14.650 -14.042 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.266 -11.683 -14.319 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.796 -12.524 -14.169 1.00 0.00 H new ATOM 396 N GLY A 27 -2.481 -11.168 -11.288 1.00 0.00 N ATOM 397 CA GLY A 27 -1.491 -10.341 -10.626 1.00 0.00 C ATOM 398 C GLY A 27 -1.861 -10.036 -9.189 1.00 0.00 C ATOM 399 O GLY A 27 -1.034 -9.556 -8.412 1.00 0.00 O ATOM 0 H GLY A 27 -3.107 -10.666 -11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.525 -10.846 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.376 -9.406 -11.175 1.00 0.00 H new ATOM 403 N VAL A 28 -3.108 -10.307 -8.836 1.00 0.00 N ATOM 404 CA VAL A 28 -3.589 -10.080 -7.488 1.00 0.00 C ATOM 405 C VAL A 28 -3.500 -11.362 -6.668 1.00 0.00 C ATOM 406 O VAL A 28 -4.083 -12.383 -7.034 1.00 0.00 O ATOM 407 CB VAL A 28 -5.046 -9.582 -7.500 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.546 -9.345 -6.086 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.172 -8.316 -8.334 1.00 0.00 C ATOM 0 H VAL A 28 -3.808 -10.688 -9.473 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.959 -9.315 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.667 -10.355 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.577 -8.994 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.498 -10.277 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.922 -8.594 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.209 -7.980 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.536 -7.538 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.861 -8.523 -9.358 1.00 0.00 H new ATOM 419 N GLN A 29 -2.768 -11.312 -5.565 1.00 0.00 N ATOM 420 CA GLN A 29 -2.623 -12.479 -4.710 1.00 0.00 C ATOM 421 C GLN A 29 -3.648 -12.463 -3.585 1.00 0.00 C ATOM 422 O GLN A 29 -4.135 -13.515 -3.165 1.00 0.00 O ATOM 423 CB GLN A 29 -1.209 -12.563 -4.140 1.00 0.00 C ATOM 424 CG GLN A 29 -0.582 -13.936 -4.305 1.00 0.00 C ATOM 425 CD GLN A 29 0.041 -14.139 -5.671 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.226 -13.880 -5.865 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.747 -14.605 -6.628 1.00 0.00 N ATOM 0 H GLN A 29 -2.269 -10.483 -5.243 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.801 -13.363 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.580 -11.821 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.235 -12.306 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.181 -14.076 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.343 -14.699 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.726 -14.808 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.375 -14.761 -7.565 1.00 0.00 H new ATOM 436 N SER A 30 -3.979 -11.272 -3.100 1.00 0.00 N ATOM 437 CA SER A 30 -5.008 -11.136 -2.077 1.00 0.00 C ATOM 438 C SER A 30 -5.650 -9.758 -2.162 1.00 0.00 C ATOM 439 O SER A 30 -4.993 -8.743 -1.938 1.00 0.00 O ATOM 440 CB SER A 30 -4.424 -11.349 -0.674 1.00 0.00 C ATOM 441 OG SER A 30 -3.090 -11.841 -0.723 1.00 0.00 O ATOM 0 H SER A 30 -3.554 -10.393 -3.396 1.00 0.00 H new ATOM 0 HA SER A 30 -5.764 -11.901 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.443 -10.407 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.050 -12.051 -0.123 1.00 0.00 H new ATOM 0 HG SER A 30 -2.752 -11.962 0.189 1.00 0.00 H new ATOM 447 N ALA A 31 -6.927 -9.724 -2.502 1.00 0.00 N ATOM 448 CA ALA A 31 -7.646 -8.468 -2.609 1.00 0.00 C ATOM 449 C ALA A 31 -8.709 -8.375 -1.531 1.00 0.00 C ATOM 450 O ALA A 31 -9.666 -9.143 -1.527 1.00 0.00 O ATOM 451 CB ALA A 31 -8.277 -8.328 -3.987 1.00 0.00 C ATOM 0 H ALA A 31 -7.486 -10.552 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.936 -7.652 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.812 -7.380 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.498 -8.354 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.974 -9.149 -4.153 1.00 0.00 H new ATOM 457 N LEU A 32 -8.531 -7.447 -0.608 1.00 0.00 N ATOM 458 CA LEU A 32 -9.522 -7.227 0.426 1.00 0.00 C ATOM 459 C LEU A 32 -10.034 -5.798 0.360 1.00 0.00 C ATOM 460 O LEU A 32 -9.463 -4.884 0.958 1.00 0.00 O ATOM 461 CB LEU A 32 -8.956 -7.541 1.817 1.00 0.00 C ATOM 462 CG LEU A 32 -7.563 -6.984 2.112 1.00 0.00 C ATOM 463 CD1 LEU A 32 -7.523 -6.373 3.504 1.00 0.00 C ATOM 464 CD2 LEU A 32 -6.517 -8.079 1.978 1.00 0.00 C ATOM 0 H LEU A 32 -7.715 -6.838 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.356 -7.907 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.647 -7.153 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.927 -8.624 1.940 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.338 -6.203 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.525 -5.980 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.250 -5.564 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.765 -7.136 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.530 -7.668 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.736 -8.880 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.533 -8.476 0.963 1.00 0.00 H new ATOM 476 N VAL A 33 -11.091 -5.602 -0.407 1.00 0.00 N ATOM 477 CA VAL A 33 -11.718 -4.301 -0.500 1.00 0.00 C ATOM 478 C VAL A 33 -12.543 -4.044 0.746 1.00 0.00 C ATOM 479 O VAL A 33 -13.499 -4.765 1.031 1.00 0.00 O ATOM 480 CB VAL A 33 -12.622 -4.175 -1.740 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.058 -2.732 -1.943 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.914 -4.700 -2.981 1.00 0.00 C ATOM 0 H VAL A 33 -11.531 -6.328 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.922 -3.562 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.512 -4.782 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.696 -2.665 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.612 -2.393 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.179 -2.103 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.572 -4.601 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.003 -4.126 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.659 -5.750 -2.838 1.00 0.00 H new ATOM 492 N SER A 34 -12.161 -3.024 1.483 1.00 0.00 N ATOM 493 CA SER A 34 -12.832 -2.683 2.715 1.00 0.00 C ATOM 494 C SER A 34 -14.047 -1.817 2.420 1.00 0.00 C ATOM 495 O SER A 34 -13.920 -0.633 2.088 1.00 0.00 O ATOM 496 CB SER A 34 -11.865 -1.957 3.648 1.00 0.00 C ATOM 497 OG SER A 34 -10.548 -1.973 3.121 1.00 0.00 O ATOM 0 H SER A 34 -11.381 -2.412 1.246 1.00 0.00 H new ATOM 0 HA SER A 34 -13.169 -3.595 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.193 -0.927 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.875 -2.431 4.629 1.00 0.00 H new ATOM 0 HG SER A 34 -9.945 -1.501 3.733 1.00 0.00 H new ATOM 503 N TYR A 35 -15.221 -2.427 2.520 1.00 0.00 N ATOM 504 CA TYR A 35 -16.475 -1.752 2.271 1.00 0.00 C ATOM 505 C TYR A 35 -16.722 -0.577 3.237 1.00 0.00 C ATOM 506 O TYR A 35 -17.169 0.477 2.791 1.00 0.00 O ATOM 507 CB TYR A 35 -17.628 -2.778 2.235 1.00 0.00 C ATOM 508 CG TYR A 35 -18.385 -3.020 3.530 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.318 -2.098 3.985 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.148 -4.149 4.305 1.00 0.00 C ATOM 511 CE1 TYR A 35 -19.994 -2.293 5.173 1.00 0.00 C ATOM 512 CE2 TYR A 35 -18.823 -4.353 5.491 1.00 0.00 C ATOM 513 CZ TYR A 35 -19.792 -3.502 5.878 1.00 0.00 C ATOM 514 OH TYR A 35 -20.412 -3.621 7.105 1.00 0.00 O ATOM 0 H TYR A 35 -15.324 -3.409 2.778 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.425 -1.284 1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.345 -2.454 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.221 -3.732 1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.518 -1.213 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.424 -4.878 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.664 -1.537 5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.573 -5.200 6.112 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.201 -4.495 7.495 1.00 0.00 H new ATOM 524 N PRO A 36 -16.438 -0.701 4.560 1.00 0.00 N ATOM 525 CA PRO A 36 -16.657 0.400 5.498 1.00 0.00 C ATOM 526 C PRO A 36 -15.597 1.494 5.363 1.00 0.00 C ATOM 527 O PRO A 36 -15.674 2.534 6.019 1.00 0.00 O ATOM 528 CB PRO A 36 -16.566 -0.260 6.883 1.00 0.00 C ATOM 529 CG PRO A 36 -16.462 -1.727 6.634 1.00 0.00 C ATOM 530 CD PRO A 36 -15.894 -1.877 5.256 1.00 0.00 C ATOM 0 HA PRO A 36 -17.612 0.894 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.698 0.105 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.445 -0.028 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.819 -2.203 7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.439 -2.205 6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.804 -1.876 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.209 -2.809 4.786 1.00 0.00 H new ATOM 538 N LYS A 37 -14.599 1.246 4.521 1.00 0.00 N ATOM 539 CA LYS A 37 -13.542 2.215 4.282 1.00 0.00 C ATOM 540 C LYS A 37 -13.712 2.852 2.908 1.00 0.00 C ATOM 541 O LYS A 37 -13.500 4.050 2.732 1.00 0.00 O ATOM 542 CB LYS A 37 -12.175 1.538 4.380 1.00 0.00 C ATOM 543 CG LYS A 37 -11.381 1.925 5.613 1.00 0.00 C ATOM 544 CD LYS A 37 -9.908 1.583 5.451 1.00 0.00 C ATOM 545 CE LYS A 37 -9.054 2.253 6.516 1.00 0.00 C ATOM 546 NZ LYS A 37 -8.702 3.648 6.156 1.00 0.00 N ATOM 0 H LYS A 37 -14.502 0.379 3.993 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.605 2.995 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.315 0.457 4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.593 1.788 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.490 2.994 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.783 1.408 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.777 0.502 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.569 1.895 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.590 2.249 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.141 1.676 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.120 4.065 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.167 3.652 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.572 4.207 6.041 1.00 0.00 H new ATOM 560 N GLY A 38 -14.106 2.032 1.943 1.00 0.00 N ATOM 561 CA GLY A 38 -14.229 2.490 0.577 1.00 0.00 C ATOM 562 C GLY A 38 -12.929 2.327 -0.174 1.00 0.00 C ATOM 563 O GLY A 38 -12.717 2.944 -1.218 1.00 0.00 O ATOM 0 H GLY A 38 -14.344 1.050 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.016 1.929 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.528 3.538 0.568 1.00 0.00 H new ATOM 567 N THR A 39 -12.057 1.479 0.353 1.00 0.00 N ATOM 568 CA THR A 39 -10.735 1.299 -0.232 1.00 0.00 C ATOM 569 C THR A 39 -10.441 -0.169 -0.515 1.00 0.00 C ATOM 570 O THR A 39 -10.946 -1.053 0.168 1.00 0.00 O ATOM 571 CB THR A 39 -9.631 1.862 0.685 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.142 2.064 2.009 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.102 3.177 0.137 1.00 0.00 C ATOM 0 H THR A 39 -12.239 0.908 1.179 1.00 0.00 H new ATOM 0 HA THR A 39 -10.737 1.850 -1.173 1.00 0.00 H new ATOM 0 HB THR A 39 -8.815 1.140 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.667 2.809 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.324 3.559 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.687 3.016 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.915 3.900 0.078 1.00 0.00 H new ATOM 581 N ALA A 40 -9.621 -0.418 -1.525 1.00 0.00 N ATOM 582 CA ALA A 40 -9.252 -1.772 -1.897 1.00 0.00 C ATOM 583 C ALA A 40 -7.806 -2.048 -1.518 1.00 0.00 C ATOM 584 O ALA A 40 -6.878 -1.521 -2.141 1.00 0.00 O ATOM 585 CB ALA A 40 -9.468 -1.989 -3.388 1.00 0.00 C ATOM 0 H ALA A 40 -9.197 0.307 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.889 -2.470 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.187 -3.009 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.518 -1.828 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.854 -1.286 -3.951 1.00 0.00 H new ATOM 591 N GLN A 41 -7.617 -2.856 -0.487 1.00 0.00 N ATOM 592 CA GLN A 41 -6.282 -3.209 -0.037 1.00 0.00 C ATOM 593 C GLN A 41 -5.768 -4.402 -0.826 1.00 0.00 C ATOM 594 O GLN A 41 -6.041 -5.556 -0.484 1.00 0.00 O ATOM 595 CB GLN A 41 -6.284 -3.513 1.461 1.00 0.00 C ATOM 596 CG GLN A 41 -5.477 -2.522 2.285 1.00 0.00 C ATOM 597 CD GLN A 41 -6.138 -1.158 2.385 1.00 0.00 C ATOM 598 OE1 GLN A 41 -6.322 -0.465 1.385 1.00 0.00 O ATOM 599 NE2 GLN A 41 -6.492 -0.760 3.595 1.00 0.00 N ATOM 0 H GLN A 41 -8.372 -3.279 0.053 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.617 -2.363 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.313 -3.519 1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.885 -4.515 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.332 -2.924 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.488 -2.409 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.323 -1.363 4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.934 0.150 3.723 1.00 0.00 H new ATOM 608 N LEU A 42 -5.026 -4.123 -1.885 1.00 0.00 N ATOM 609 CA LEU A 42 -4.606 -5.159 -2.812 1.00 0.00 C ATOM 610 C LEU A 42 -3.183 -5.627 -2.537 1.00 0.00 C ATOM 611 O LEU A 42 -2.243 -4.829 -2.509 1.00 0.00 O ATOM 612 CB LEU A 42 -4.711 -4.650 -4.251 1.00 0.00 C ATOM 613 CG LEU A 42 -6.126 -4.634 -4.828 1.00 0.00 C ATOM 614 CD1 LEU A 42 -6.511 -3.228 -5.249 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.236 -5.584 -6.005 1.00 0.00 C ATOM 0 H LEU A 42 -4.702 -3.186 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.271 -6.011 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.306 -3.639 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.082 -5.272 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.815 -4.967 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.521 -3.234 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.474 -2.566 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.815 -2.872 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.251 -5.557 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.535 -5.282 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.001 -6.597 -5.678 1.00 0.00 H new ATOM 627 N ALA A 43 -3.032 -6.928 -2.331 1.00 0.00 N ATOM 628 CA ALA A 43 -1.723 -7.543 -2.248 1.00 0.00 C ATOM 629 C ALA A 43 -1.350 -8.063 -3.626 1.00 0.00 C ATOM 630 O ALA A 43 -1.512 -9.249 -3.932 1.00 0.00 O ATOM 631 CB ALA A 43 -1.717 -8.664 -1.216 1.00 0.00 C ATOM 0 H ALA A 43 -3.809 -7.579 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.986 -6.807 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.724 -9.111 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.978 -8.260 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.445 -9.424 -1.500 1.00 0.00 H new ATOM 637 N ILE A 44 -0.891 -7.152 -4.467 1.00 0.00 N ATOM 638 CA ILE A 44 -0.607 -7.459 -5.859 1.00 0.00 C ATOM 639 C ILE A 44 0.862 -7.786 -6.065 1.00 0.00 C ATOM 640 O ILE A 44 1.707 -7.458 -5.232 1.00 0.00 O ATOM 641 CB ILE A 44 -0.988 -6.287 -6.791 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.669 -4.944 -6.131 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.460 -6.359 -7.162 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.222 -4.055 -6.971 1.00 0.00 C ATOM 0 H ILE A 44 -0.705 -6.183 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.213 -8.329 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.396 -6.370 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.602 -4.419 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.186 -5.126 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.711 -5.526 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.660 -7.299 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.066 -6.304 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.407 -3.120 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.170 -4.561 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.268 -3.843 -7.921 1.00 0.00 H new ATOM 656 N VAL A 45 1.148 -8.454 -7.164 1.00 0.00 N ATOM 657 CA VAL A 45 2.513 -8.734 -7.560 1.00 0.00 C ATOM 658 C VAL A 45 3.072 -7.547 -8.336 1.00 0.00 C ATOM 659 O VAL A 45 2.419 -7.047 -9.258 1.00 0.00 O ATOM 660 CB VAL A 45 2.589 -10.010 -8.429 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.970 -10.182 -9.046 1.00 0.00 C ATOM 662 CG2 VAL A 45 2.213 -11.232 -7.604 1.00 0.00 C ATOM 0 H VAL A 45 0.443 -8.817 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 45 3.106 -8.899 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 45 1.875 -9.904 -9.246 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.988 -11.089 -9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.197 -9.322 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.715 -10.259 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.271 -12.124 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.902 -11.331 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.197 -11.118 -7.227 1.00 0.00 H new ATOM 672 N PRO A 46 4.265 -7.058 -7.948 1.00 0.00 N ATOM 673 CA PRO A 46 4.956 -5.955 -8.639 1.00 0.00 C ATOM 674 C PRO A 46 5.340 -6.310 -10.077 1.00 0.00 C ATOM 675 O PRO A 46 6.507 -6.541 -10.390 1.00 0.00 O ATOM 676 CB PRO A 46 6.212 -5.726 -7.789 1.00 0.00 C ATOM 677 CG PRO A 46 5.905 -6.348 -6.470 1.00 0.00 C ATOM 678 CD PRO A 46 5.025 -7.521 -6.777 1.00 0.00 C ATOM 0 HA PRO A 46 4.319 -5.075 -8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.088 -6.185 -8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.428 -4.663 -7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.817 -6.663 -5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.401 -5.641 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.606 -8.416 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.370 -7.766 -5.941 1.00 0.00 H new ATOM 686 N GLY A 47 4.337 -6.358 -10.930 1.00 0.00 N ATOM 687 CA GLY A 47 4.534 -6.652 -12.329 1.00 0.00 C ATOM 688 C GLY A 47 3.284 -6.328 -13.109 1.00 0.00 C ATOM 689 O GLY A 47 3.345 -5.805 -14.221 1.00 0.00 O ATOM 0 H GLY A 47 3.364 -6.194 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.373 -6.073 -12.715 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.788 -7.705 -12.455 1.00 0.00 H new ATOM 693 N THR A 48 2.146 -6.644 -12.511 1.00 0.00 N ATOM 694 CA THR A 48 0.856 -6.264 -13.056 1.00 0.00 C ATOM 695 C THR A 48 0.601 -4.784 -12.834 1.00 0.00 C ATOM 696 O THR A 48 0.747 -4.285 -11.717 1.00 0.00 O ATOM 697 CB THR A 48 -0.273 -7.069 -12.394 1.00 0.00 C ATOM 698 OG1 THR A 48 0.279 -7.920 -11.377 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.021 -7.907 -13.416 1.00 0.00 C ATOM 0 H THR A 48 2.092 -7.169 -11.638 1.00 0.00 H new ATOM 0 HA THR A 48 0.871 -6.476 -14.125 1.00 0.00 H new ATOM 0 HB THR A 48 -0.980 -6.369 -11.948 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.115 -7.691 -10.509 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.814 -8.466 -12.918 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.457 -7.255 -14.173 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.330 -8.603 -13.891 1.00 0.00 H new ATOM 707 N SER A 49 0.228 -4.089 -13.891 1.00 0.00 N ATOM 708 CA SER A 49 -0.027 -2.667 -13.804 1.00 0.00 C ATOM 709 C SER A 49 -1.357 -2.399 -13.101 1.00 0.00 C ATOM 710 O SER A 49 -2.412 -2.827 -13.571 1.00 0.00 O ATOM 711 CB SER A 49 -0.028 -2.059 -15.205 1.00 0.00 C ATOM 712 OG SER A 49 0.250 -3.050 -16.184 1.00 0.00 O ATOM 0 H SER A 49 0.095 -4.488 -14.820 1.00 0.00 H new ATOM 0 HA SER A 49 0.764 -2.202 -13.215 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.997 -1.603 -15.408 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.717 -1.265 -15.263 1.00 0.00 H new ATOM 0 HG SER A 49 0.243 -2.641 -17.075 1.00 0.00 H new ATOM 718 N PRO A 50 -1.321 -1.686 -11.963 1.00 0.00 N ATOM 719 CA PRO A 50 -2.524 -1.366 -11.188 1.00 0.00 C ATOM 720 C PRO A 50 -3.506 -0.490 -11.959 1.00 0.00 C ATOM 721 O PRO A 50 -4.672 -0.374 -11.581 1.00 0.00 O ATOM 722 CB PRO A 50 -1.989 -0.618 -9.960 1.00 0.00 C ATOM 723 CG PRO A 50 -0.539 -0.952 -9.901 1.00 0.00 C ATOM 724 CD PRO A 50 -0.107 -1.154 -11.325 1.00 0.00 C ATOM 0 HA PRO A 50 -3.085 -2.267 -10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.142 0.457 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.503 -0.933 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.028 -0.149 -9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.369 -1.852 -9.309 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.216 -0.220 -11.786 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.727 -1.851 -11.399 1.00 0.00 H new ATOM 732 N ASP A 51 -3.037 0.092 -13.057 1.00 0.00 N ATOM 733 CA ASP A 51 -3.877 0.905 -13.919 1.00 0.00 C ATOM 734 C ASP A 51 -4.926 0.019 -14.553 1.00 0.00 C ATOM 735 O ASP A 51 -6.032 0.458 -14.875 1.00 0.00 O ATOM 736 CB ASP A 51 -3.019 1.576 -15.001 1.00 0.00 C ATOM 737 CG ASP A 51 -3.833 2.242 -16.095 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.286 1.542 -17.026 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.999 3.479 -16.047 1.00 0.00 O ATOM 0 H ASP A 51 -2.070 0.013 -13.371 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.365 1.685 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.376 2.322 -14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.365 0.828 -15.450 1.00 0.00 H new ATOM 744 N ALA A 52 -4.582 -1.255 -14.681 1.00 0.00 N ATOM 745 CA ALA A 52 -5.464 -2.213 -15.303 1.00 0.00 C ATOM 746 C ALA A 52 -6.629 -2.523 -14.380 1.00 0.00 C ATOM 747 O ALA A 52 -7.743 -2.776 -14.828 1.00 0.00 O ATOM 748 CB ALA A 52 -4.713 -3.484 -15.664 1.00 0.00 C ATOM 0 H ALA A 52 -3.695 -1.643 -14.359 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.853 -1.780 -16.225 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.398 -4.191 -16.131 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.908 -3.246 -16.359 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.294 -3.928 -14.761 1.00 0.00 H new ATOM 754 N LEU A 53 -6.360 -2.467 -13.082 1.00 0.00 N ATOM 755 CA LEU A 53 -7.379 -2.713 -12.075 1.00 0.00 C ATOM 756 C LEU A 53 -8.357 -1.548 -12.039 1.00 0.00 C ATOM 757 O LEU A 53 -9.576 -1.740 -12.035 1.00 0.00 O ATOM 758 CB LEU A 53 -6.737 -2.906 -10.699 1.00 0.00 C ATOM 759 CG LEU A 53 -5.501 -3.808 -10.673 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.772 -3.678 -9.347 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.885 -5.256 -10.929 1.00 0.00 C ATOM 0 H LEU A 53 -5.438 -2.252 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.917 -3.625 -12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.461 -1.928 -10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.484 -3.322 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.829 -3.486 -11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.896 -4.327 -9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.457 -2.644 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.439 -3.969 -8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.991 -5.879 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.580 -5.590 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.360 -5.339 -11.907 1.00 0.00 H new ATOM 773 N THR A 54 -7.807 -0.338 -12.041 1.00 0.00 N ATOM 774 CA THR A 54 -8.605 0.873 -12.059 1.00 0.00 C ATOM 775 C THR A 54 -9.502 0.906 -13.291 1.00 0.00 C ATOM 776 O THR A 54 -10.713 1.128 -13.190 1.00 0.00 O ATOM 777 CB THR A 54 -7.695 2.117 -12.046 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.534 1.865 -11.242 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.434 3.332 -11.513 1.00 0.00 C ATOM 0 H THR A 54 -6.800 -0.174 -12.030 1.00 0.00 H new ATOM 0 HA THR A 54 -9.231 0.880 -11.167 1.00 0.00 H new ATOM 0 HB THR A 54 -7.391 2.325 -13.072 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.959 2.659 -11.239 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.767 4.194 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.297 3.539 -12.146 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.769 3.136 -10.495 1.00 0.00 H new ATOM 787 N ALA A 55 -8.907 0.655 -14.450 1.00 0.00 N ATOM 788 CA ALA A 55 -9.649 0.652 -15.700 1.00 0.00 C ATOM 789 C ALA A 55 -10.665 -0.481 -15.732 1.00 0.00 C ATOM 790 O ALA A 55 -11.755 -0.331 -16.287 1.00 0.00 O ATOM 791 CB ALA A 55 -8.700 0.554 -16.882 1.00 0.00 C ATOM 0 H ALA A 55 -7.912 0.451 -14.548 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.195 1.593 -15.771 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.273 0.553 -17.809 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.021 1.407 -16.875 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.124 -0.369 -16.810 1.00 0.00 H new ATOM 797 N ALA A 56 -10.311 -1.608 -15.123 1.00 0.00 N ATOM 798 CA ALA A 56 -11.214 -2.751 -15.057 1.00 0.00 C ATOM 799 C ALA A 56 -12.457 -2.407 -14.249 1.00 0.00 C ATOM 800 O ALA A 56 -13.578 -2.690 -14.672 1.00 0.00 O ATOM 801 CB ALA A 56 -10.518 -3.966 -14.459 1.00 0.00 C ATOM 0 H ALA A 56 -9.409 -1.754 -14.670 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.515 -2.997 -16.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.215 -4.803 -14.422 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.661 -4.235 -15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.179 -3.731 -13.450 1.00 0.00 H new ATOM 807 N VAL A 57 -12.256 -1.780 -13.094 1.00 0.00 N ATOM 808 CA VAL A 57 -13.377 -1.397 -12.247 1.00 0.00 C ATOM 809 C VAL A 57 -14.188 -0.282 -12.900 1.00 0.00 C ATOM 810 O VAL A 57 -15.419 -0.325 -12.903 1.00 0.00 O ATOM 811 CB VAL A 57 -12.917 -0.959 -10.846 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.109 -0.581 -9.976 1.00 0.00 C ATOM 813 CG2 VAL A 57 -12.100 -2.058 -10.186 1.00 0.00 C ATOM 0 H VAL A 57 -11.338 -1.529 -12.727 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.007 -2.279 -12.131 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.285 -0.077 -10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.758 -0.275 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.651 0.243 -10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.772 -1.440 -9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.783 -1.731 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.708 -2.958 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.222 -2.274 -10.795 1.00 0.00 H new ATOM 823 N ALA A 58 -13.498 0.704 -13.475 1.00 0.00 N ATOM 824 CA ALA A 58 -14.170 1.811 -14.150 1.00 0.00 C ATOM 825 C ALA A 58 -14.929 1.335 -15.386 1.00 0.00 C ATOM 826 O ALA A 58 -15.939 1.922 -15.775 1.00 0.00 O ATOM 827 CB ALA A 58 -13.169 2.894 -14.526 1.00 0.00 C ATOM 0 H ALA A 58 -12.479 0.757 -13.486 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.897 2.230 -13.454 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.688 3.711 -15.028 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.685 3.271 -13.625 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.416 2.477 -15.195 1.00 0.00 H new ATOM 833 N GLY A 59 -14.442 0.266 -15.997 1.00 0.00 N ATOM 834 CA GLY A 59 -15.084 -0.266 -17.183 1.00 0.00 C ATOM 835 C GLY A 59 -16.242 -1.182 -16.849 1.00 0.00 C ATOM 836 O GLY A 59 -17.072 -1.489 -17.708 1.00 0.00 O ATOM 0 H GLY A 59 -13.613 -0.244 -15.693 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.442 0.558 -17.800 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.351 -0.813 -17.776 1.00 0.00 H new ATOM 840 N LEU A 60 -16.312 -1.602 -15.593 1.00 0.00 N ATOM 841 CA LEU A 60 -17.343 -2.534 -15.150 1.00 0.00 C ATOM 842 C LEU A 60 -18.605 -1.801 -14.712 1.00 0.00 C ATOM 843 O LEU A 60 -19.478 -2.372 -14.059 1.00 0.00 O ATOM 844 CB LEU A 60 -16.813 -3.404 -14.011 1.00 0.00 C ATOM 845 CG LEU A 60 -16.496 -4.851 -14.391 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.320 -5.373 -13.578 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.720 -5.731 -14.187 1.00 0.00 C ATOM 0 H LEU A 60 -15.665 -1.311 -14.860 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.604 -3.172 -15.995 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.909 -2.943 -13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.548 -3.409 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.221 -4.879 -15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.110 -6.404 -13.863 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.442 -4.757 -13.771 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.565 -5.333 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.480 -6.758 -14.462 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.023 -5.696 -13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.536 -5.370 -14.813 1.00 0.00 H new ATOM 859 N GLY A 61 -18.690 -0.531 -15.071 1.00 0.00 N ATOM 860 CA GLY A 61 -19.870 0.250 -14.761 1.00 0.00 C ATOM 861 C GLY A 61 -19.729 1.022 -13.469 1.00 0.00 C ATOM 862 O GLY A 61 -20.616 1.791 -13.091 1.00 0.00 O ATOM 0 H GLY A 61 -17.961 -0.024 -15.573 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.066 0.946 -15.577 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.733 -0.412 -14.693 1.00 0.00 H new ATOM 866 N TYR A 62 -18.615 0.806 -12.788 1.00 0.00 N ATOM 867 CA TYR A 62 -18.322 1.508 -11.554 1.00 0.00 C ATOM 868 C TYR A 62 -17.228 2.538 -11.801 1.00 0.00 C ATOM 869 O TYR A 62 -16.875 2.809 -12.950 1.00 0.00 O ATOM 870 CB TYR A 62 -17.869 0.525 -10.473 1.00 0.00 C ATOM 871 CG TYR A 62 -18.570 -0.819 -10.503 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.950 -0.897 -10.376 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.858 -2.002 -10.676 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.604 -2.113 -10.421 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.507 -3.223 -10.727 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.830 -3.299 -10.517 1.00 0.00 C ATOM 877 OH TYR A 62 -20.534 -4.485 -10.653 1.00 0.00 O ATOM 0 H TYR A 62 -17.894 0.143 -13.075 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.227 2.010 -11.212 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.796 0.362 -10.576 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.030 0.981 -9.496 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.522 0.009 -10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.783 -1.967 -10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.682 -2.160 -10.384 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.945 -4.121 -10.937 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.676 -4.674 -11.604 1.00 0.00 H new ATOM 887 N LYS A 63 -16.699 3.116 -10.736 1.00 0.00 N ATOM 888 CA LYS A 63 -15.575 4.024 -10.857 1.00 0.00 C ATOM 889 C LYS A 63 -14.483 3.623 -9.886 1.00 0.00 C ATOM 890 O LYS A 63 -14.742 3.399 -8.703 1.00 0.00 O ATOM 891 CB LYS A 63 -16.004 5.466 -10.593 1.00 0.00 C ATOM 892 CG LYS A 63 -15.108 6.498 -11.259 1.00 0.00 C ATOM 893 CD LYS A 63 -14.459 7.416 -10.234 1.00 0.00 C ATOM 894 CE LYS A 63 -13.015 7.726 -10.596 1.00 0.00 C ATOM 895 NZ LYS A 63 -12.373 8.624 -9.599 1.00 0.00 N ATOM 0 H LYS A 63 -17.029 2.972 -9.782 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.194 3.964 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.026 5.603 -10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.011 5.643 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.335 5.992 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.694 7.091 -11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.025 8.345 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.496 6.948 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.450 6.796 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.980 8.193 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.593 9.143 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.076 9.300 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.001 8.057 -8.811 1.00 0.00 H new ATOM 909 N ALA A 64 -13.270 3.506 -10.381 1.00 0.00 N ATOM 910 CA ALA A 64 -12.146 3.199 -9.526 1.00 0.00 C ATOM 911 C ALA A 64 -11.163 4.354 -9.495 1.00 0.00 C ATOM 912 O ALA A 64 -10.993 5.069 -10.481 1.00 0.00 O ATOM 913 CB ALA A 64 -11.451 1.929 -9.983 1.00 0.00 C ATOM 0 H ALA A 64 -13.038 3.618 -11.368 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.526 3.040 -8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.608 1.718 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.155 1.097 -9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.090 2.059 -11.003 1.00 0.00 H new ATOM 919 N THR A 65 -10.548 4.542 -8.347 1.00 0.00 N ATOM 920 CA THR A 65 -9.455 5.482 -8.202 1.00 0.00 C ATOM 921 C THR A 65 -8.345 4.811 -7.407 1.00 0.00 C ATOM 922 O THR A 65 -8.242 3.582 -7.414 1.00 0.00 O ATOM 923 CB THR A 65 -9.903 6.792 -7.515 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.332 6.929 -7.583 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.250 7.998 -8.180 1.00 0.00 C ATOM 0 H THR A 65 -10.791 4.048 -7.488 1.00 0.00 H new ATOM 0 HA THR A 65 -9.095 5.759 -9.193 1.00 0.00 H new ATOM 0 HB THR A 65 -9.593 6.748 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.633 7.559 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.578 8.910 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.166 7.913 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.538 8.035 -9.231 1.00 0.00 H new ATOM 933 N LEU A 66 -7.540 5.579 -6.700 1.00 0.00 N ATOM 934 CA LEU A 66 -6.450 4.999 -5.936 1.00 0.00 C ATOM 935 C LEU A 66 -6.095 5.867 -4.743 1.00 0.00 C ATOM 936 O LEU A 66 -6.007 7.089 -4.850 1.00 0.00 O ATOM 937 CB LEU A 66 -5.212 4.793 -6.818 1.00 0.00 C ATOM 938 CG LEU A 66 -5.094 5.735 -8.019 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.904 6.664 -7.853 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.970 4.936 -9.308 1.00 0.00 C ATOM 0 H LEU A 66 -7.617 6.594 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.786 4.029 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.323 4.909 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.214 3.766 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.998 6.342 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.836 7.326 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.030 7.259 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.990 6.075 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.887 5.619 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.081 4.306 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.853 4.309 -9.434 1.00 0.00 H new ATOM 952 N ALA A 67 -5.915 5.219 -3.606 1.00 0.00 N ATOM 953 CA ALA A 67 -5.470 5.882 -2.396 1.00 0.00 C ATOM 954 C ALA A 67 -3.992 5.587 -2.198 1.00 0.00 C ATOM 955 O ALA A 67 -3.598 4.894 -1.256 1.00 0.00 O ATOM 956 CB ALA A 67 -6.291 5.418 -1.202 1.00 0.00 C ATOM 0 H ALA A 67 -6.074 4.217 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.612 6.959 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.944 5.926 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.342 5.654 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.177 4.341 -1.078 1.00 0.00 H new ATOM 962 N ASP A 68 -3.198 6.105 -3.125 1.00 0.00 N ATOM 963 CA ASP A 68 -1.769 5.824 -3.205 1.00 0.00 C ATOM 964 C ASP A 68 -1.049 6.143 -1.898 1.00 0.00 C ATOM 965 O ASP A 68 -1.281 7.196 -1.298 1.00 0.00 O ATOM 966 CB ASP A 68 -1.156 6.626 -4.354 1.00 0.00 C ATOM 967 CG ASP A 68 0.325 6.370 -4.529 1.00 0.00 C ATOM 968 OD1 ASP A 68 0.700 5.240 -4.902 1.00 0.00 O ATOM 969 OD2 ASP A 68 1.119 7.308 -4.319 1.00 0.00 O ATOM 0 H ASP A 68 -3.531 6.739 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.646 4.757 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.674 6.377 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.317 7.689 -4.174 1.00 0.00 H new ATOM 974 N ALA A 69 -0.175 5.217 -1.491 1.00 0.00 N ATOM 975 CA ALA A 69 0.613 5.320 -0.261 1.00 0.00 C ATOM 976 C ALA A 69 -0.237 5.074 0.978 1.00 0.00 C ATOM 977 O ALA A 69 0.350 4.812 2.050 1.00 0.00 O ATOM 978 CB ALA A 69 1.331 6.660 -0.162 1.00 0.00 C ATOM 979 OXT ALA A 69 -1.479 5.120 0.882 1.00 0.00 O ATOM 0 H ALA A 69 0.007 4.362 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 69 1.369 4.536 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.905 6.698 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.005 6.775 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.598 7.467 -0.168 1.00 0.00 H new TER 985 ALA A 69