USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 5 HIS : no HD1:sc= -1.23 K(o=-2.7,f=-6.6!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.46 K(o=-2.7,f=-15!) USER MOD Set 2.1: A 10 ASN : amide:sc= -1.39 K(o=-0.61,f=-8.8!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -135:sc= 0.779 (180deg=0) USER MOD Set 3.1: A 35 THR OG1 : rot -176:sc= -0.266 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 33 TYR OH : rot -171:sc= -0.943 USER MOD Set 4.2: A 63 THR OG1 : rot -170:sc= 0.0253 USER MOD Set 5.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 64 THR OG1 : rot 173:sc= -2.15! USER MOD Set 6.1: A 29 THR OG1 : rot 100:sc= -1.16 USER MOD Set 6.2: A 43 LYS NZ :NH3+ 162:sc= -0.385 (180deg=-1.72!) USER MOD Set 7.1: A 26 TYR OH : rot -101:sc= 0.00627 USER MOD Set 7.2: A 68 GLN : amide:sc= 0.00555 X(o=0.012,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.457 (180deg=-1.52!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.5) USER MOD Single : A 16 ASN : amide:sc= -0.0812 K(o=-0.081,f=-1.9!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -146:sc= -0.492 (180deg=-1.53) USER MOD Single : A 42 SER OG : rot 180:sc= -0.729 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 100:sc= 0.529 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.18) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.860 -4.619 -3.360 1.00 73.13 N ATOM 2 CA MET A 1 -1.417 -3.621 -2.394 1.00 24.10 C ATOM 3 C MET A 1 -0.134 -4.068 -1.701 1.00 24.42 C ATOM 4 O MET A 1 0.105 -3.736 -0.539 1.00 35.12 O ATOM 5 CB MET A 1 -2.509 -3.366 -1.354 1.00 55.43 C ATOM 6 CG MET A 1 -3.114 -4.638 -0.783 1.00 54.23 C ATOM 7 SD MET A 1 -2.252 -5.216 0.691 1.00 12.10 S ATOM 8 CE MET A 1 -3.320 -6.560 1.203 1.00 53.42 C ATOM 0 H1 MET A 1 -2.895 -4.577 -3.452 1.00 73.13 H new ATOM 0 H2 MET A 1 -1.422 -4.427 -4.283 1.00 73.13 H new ATOM 0 H3 MET A 1 -1.579 -5.566 -3.034 1.00 73.13 H new ATOM 0 HA MET A 1 -1.215 -2.695 -2.933 1.00 24.10 H new ATOM 0 HB2 MET A 1 -2.092 -2.774 -0.539 1.00 55.43 H new ATOM 0 HB3 MET A 1 -3.300 -2.770 -1.809 1.00 55.43 H new ATOM 0 HG2 MET A 1 -4.162 -4.460 -0.540 1.00 54.23 H new ATOM 0 HG3 MET A 1 -3.091 -5.419 -1.543 1.00 54.23 H new ATOM 0 HE1 MET A 1 -2.919 -7.020 2.106 1.00 53.42 H new ATOM 0 HE2 MET A 1 -4.319 -6.174 1.406 1.00 53.42 H new ATOM 0 HE3 MET A 1 -3.373 -7.305 0.409 1.00 53.42 H new ATOM 18 N LEU A 2 0.690 -4.824 -2.420 1.00 14.53 N ATOM 19 CA LEU A 2 1.949 -5.317 -1.873 1.00 40.22 C ATOM 20 C LEU A 2 3.097 -4.371 -2.211 1.00 12.41 C ATOM 21 O LEU A 2 3.081 -3.704 -3.246 1.00 12.34 O ATOM 22 CB LEU A 2 2.250 -6.715 -2.415 1.00 33.41 C ATOM 23 CG LEU A 2 3.545 -7.362 -1.922 1.00 34.12 C ATOM 24 CD1 LEU A 2 3.410 -7.785 -0.467 1.00 51.31 C ATOM 25 CD2 LEU A 2 3.911 -8.554 -2.794 1.00 21.13 C ATOM 0 H LEU A 2 0.508 -5.108 -3.383 1.00 14.53 H new ATOM 0 HA LEU A 2 1.851 -5.367 -0.789 1.00 40.22 H new ATOM 0 HB2 LEU A 2 1.418 -7.370 -2.155 1.00 33.41 H new ATOM 0 HB3 LEU A 2 2.286 -6.661 -3.503 1.00 33.41 H new ATOM 0 HG LEU A 2 4.346 -6.626 -1.992 1.00 34.12 H new ATOM 0 HD11 LEU A 2 4.341 -8.243 -0.133 1.00 51.31 H new ATOM 0 HD12 LEU A 2 3.195 -6.911 0.148 1.00 51.31 H new ATOM 0 HD13 LEU A 2 2.597 -8.504 -0.371 1.00 51.31 H new ATOM 0 HD21 LEU A 2 4.835 -9.002 -2.429 1.00 21.13 H new ATOM 0 HD22 LEU A 2 3.110 -9.292 -2.756 1.00 21.13 H new ATOM 0 HD23 LEU A 2 4.051 -8.223 -3.823 1.00 21.13 H new ATOM 37 N ASP A 3 4.092 -4.319 -1.333 1.00 21.44 N ATOM 38 CA ASP A 3 5.250 -3.458 -1.539 1.00 3.51 C ATOM 39 C ASP A 3 6.483 -4.281 -1.898 1.00 4.14 C ATOM 40 O ASP A 3 6.799 -5.268 -1.232 1.00 44.40 O ATOM 41 CB ASP A 3 5.524 -2.626 -0.285 1.00 20.13 C ATOM 42 CG ASP A 3 6.051 -1.243 -0.611 1.00 3.32 C ATOM 43 OD1 ASP A 3 6.390 -0.999 -1.788 1.00 31.53 O ATOM 44 OD2 ASP A 3 6.126 -0.403 0.311 1.00 23.32 O ATOM 0 H ASP A 3 4.120 -4.864 -0.471 1.00 21.44 H new ATOM 0 HA ASP A 3 5.029 -2.787 -2.369 1.00 3.51 H new ATOM 0 HB2 ASP A 3 4.605 -2.534 0.294 1.00 20.13 H new ATOM 0 HB3 ASP A 3 6.246 -3.148 0.343 1.00 20.13 H new ATOM 49 N CYS A 4 7.176 -3.870 -2.954 1.00 42.23 N ATOM 50 CA CYS A 4 8.374 -4.569 -3.403 1.00 72.35 C ATOM 51 C CYS A 4 9.396 -3.589 -3.971 1.00 52.34 C ATOM 52 O CYS A 4 9.048 -2.482 -4.385 1.00 35.22 O ATOM 53 CB CYS A 4 8.013 -5.616 -4.460 1.00 12.52 C ATOM 54 SG CYS A 4 6.626 -6.699 -3.989 1.00 61.25 S ATOM 0 H CYS A 4 6.928 -3.055 -3.516 1.00 42.23 H new ATOM 0 HA CYS A 4 8.817 -5.069 -2.541 1.00 72.35 H new ATOM 0 HB2 CYS A 4 7.762 -5.106 -5.390 1.00 12.52 H new ATOM 0 HB3 CYS A 4 8.890 -6.232 -4.660 1.00 12.52 H new ATOM 59 N HIS A 5 10.659 -4.003 -3.989 1.00 12.43 N ATOM 60 CA HIS A 5 11.732 -3.161 -4.507 1.00 20.43 C ATOM 61 C HIS A 5 11.819 -3.266 -6.026 1.00 54.34 C ATOM 62 O HIS A 5 12.310 -4.258 -6.564 1.00 30.32 O ATOM 63 CB HIS A 5 13.068 -3.559 -3.880 1.00 24.45 C ATOM 64 CG HIS A 5 13.207 -3.140 -2.448 1.00 71.43 C ATOM 65 ND1 HIS A 5 13.752 -1.933 -2.067 1.00 43.41 N ATOM 66 CD2 HIS A 5 12.865 -3.776 -1.303 1.00 4.52 C ATOM 67 CE1 HIS A 5 13.742 -1.844 -0.749 1.00 51.21 C ATOM 68 NE2 HIS A 5 13.208 -2.949 -0.261 1.00 63.12 N ATOM 0 H HIS A 5 10.965 -4.916 -3.651 1.00 12.43 H new ATOM 0 HA HIS A 5 11.509 -2.127 -4.244 1.00 20.43 H new ATOM 0 HB2 HIS A 5 13.183 -4.641 -3.946 1.00 24.45 H new ATOM 0 HB3 HIS A 5 13.878 -3.116 -4.460 1.00 24.45 H new ATOM 0 HD2 HIS A 5 12.408 -4.751 -1.224 1.00 4.52 H new ATOM 0 HE1 HIS A 5 14.108 -1.010 -0.169 1.00 51.21 H new ATOM 0 HE2 HIS A 5 13.072 -3.155 0.729 1.00 63.12 H new ATOM 76 N VAL A 6 11.337 -2.235 -6.714 1.00 2.11 N ATOM 77 CA VAL A 6 11.360 -2.210 -8.172 1.00 25.45 C ATOM 78 C VAL A 6 12.529 -1.379 -8.689 1.00 11.34 C ATOM 79 O VAL A 6 12.512 -0.150 -8.613 1.00 2.24 O ATOM 80 CB VAL A 6 10.048 -1.644 -8.744 1.00 51.54 C ATOM 81 CG1 VAL A 6 10.069 -1.680 -10.265 1.00 31.02 C ATOM 82 CG2 VAL A 6 8.854 -2.413 -8.201 1.00 34.12 C ATOM 0 H VAL A 6 10.926 -1.406 -6.285 1.00 2.11 H new ATOM 0 HA VAL A 6 11.477 -3.241 -8.505 1.00 25.45 H new ATOM 0 HB VAL A 6 9.954 -0.604 -8.430 1.00 51.54 H new ATOM 0 HG11 VAL A 6 9.133 -1.276 -10.651 1.00 31.02 H new ATOM 0 HG12 VAL A 6 10.902 -1.080 -10.632 1.00 31.02 H new ATOM 0 HG13 VAL A 6 10.187 -2.710 -10.603 1.00 31.02 H new ATOM 0 HG21 VAL A 6 7.935 -1.999 -8.616 1.00 34.12 H new ATOM 0 HG22 VAL A 6 8.939 -3.463 -8.482 1.00 34.12 H new ATOM 0 HG23 VAL A 6 8.831 -2.329 -7.114 1.00 34.12 H new ATOM 92 N CYS A 7 13.543 -2.057 -9.215 1.00 41.43 N ATOM 93 CA CYS A 7 14.721 -1.382 -9.746 1.00 3.41 C ATOM 94 C CYS A 7 15.672 -2.380 -10.400 1.00 71.12 C ATOM 95 O CYS A 7 15.554 -3.588 -10.199 1.00 72.41 O ATOM 96 CB CYS A 7 15.447 -0.625 -8.631 1.00 73.23 C ATOM 97 SG CYS A 7 16.254 -1.703 -7.405 1.00 25.21 S ATOM 0 H CYS A 7 13.573 -3.074 -9.285 1.00 41.43 H new ATOM 0 HA CYS A 7 14.391 -0.672 -10.504 1.00 3.41 H new ATOM 0 HB2 CYS A 7 16.199 0.026 -9.078 1.00 73.23 H new ATOM 0 HB3 CYS A 7 14.732 0.019 -8.118 1.00 73.23 H new ATOM 102 N ALA A 8 16.614 -1.866 -11.184 1.00 0.43 N ATOM 103 CA ALA A 8 17.586 -2.711 -11.866 1.00 2.15 C ATOM 104 C ALA A 8 18.965 -2.060 -11.880 1.00 40.25 C ATOM 105 O ALA A 8 19.113 -0.906 -12.285 1.00 62.51 O ATOM 106 CB ALA A 8 17.125 -3.007 -13.285 1.00 13.21 C ATOM 0 H ALA A 8 16.724 -0.868 -11.363 1.00 0.43 H new ATOM 0 HA ALA A 8 17.662 -3.650 -11.318 1.00 2.15 H new ATOM 0 HB1 ALA A 8 17.861 -3.639 -13.782 1.00 13.21 H new ATOM 0 HB2 ALA A 8 16.165 -3.522 -13.256 1.00 13.21 H new ATOM 0 HB3 ALA A 8 17.019 -2.072 -13.835 1.00 13.21 H new ATOM 112 N TYR A 9 19.971 -2.805 -11.437 1.00 32.35 N ATOM 113 CA TYR A 9 21.338 -2.299 -11.396 1.00 75.00 C ATOM 114 C TYR A 9 22.339 -3.408 -11.706 1.00 13.23 C ATOM 115 O TYR A 9 22.118 -4.570 -11.368 1.00 63.13 O ATOM 116 CB TYR A 9 21.639 -1.693 -10.024 1.00 72.12 C ATOM 117 CG TYR A 9 23.062 -1.204 -9.878 1.00 30.14 C ATOM 118 CD1 TYR A 9 23.527 -0.125 -10.620 1.00 31.45 C ATOM 119 CD2 TYR A 9 23.942 -1.820 -8.996 1.00 34.40 C ATOM 120 CE1 TYR A 9 24.827 0.324 -10.489 1.00 55.22 C ATOM 121 CE2 TYR A 9 25.243 -1.377 -8.858 1.00 54.30 C ATOM 122 CZ TYR A 9 25.680 -0.305 -9.607 1.00 45.51 C ATOM 123 OH TYR A 9 26.975 0.141 -9.473 1.00 45.24 O ATOM 0 H TYR A 9 19.866 -3.762 -11.101 1.00 32.35 H new ATOM 0 HA TYR A 9 21.435 -1.524 -12.157 1.00 75.00 H new ATOM 0 HB2 TYR A 9 20.958 -0.861 -9.846 1.00 72.12 H new ATOM 0 HB3 TYR A 9 21.439 -2.439 -9.255 1.00 72.12 H new ATOM 0 HD1 TYR A 9 22.861 0.371 -11.311 1.00 31.45 H new ATOM 0 HD2 TYR A 9 23.603 -2.660 -8.408 1.00 34.40 H new ATOM 0 HE1 TYR A 9 25.173 1.163 -11.074 1.00 55.22 H new ATOM 0 HE2 TYR A 9 25.914 -1.867 -8.168 1.00 54.30 H new ATOM 0 HH TYR A 9 27.444 -0.409 -8.811 1.00 45.24 H new ATOM 133 N ASN A 10 23.441 -3.038 -12.350 1.00 74.03 N ATOM 134 CA ASN A 10 24.477 -4.000 -12.706 1.00 61.22 C ATOM 135 C ASN A 10 25.480 -4.165 -11.569 1.00 23.04 C ATOM 136 O ASN A 10 26.653 -3.818 -11.706 1.00 34.25 O ATOM 137 CB ASN A 10 25.201 -3.554 -13.979 1.00 33.55 C ATOM 138 CG ASN A 10 24.309 -3.619 -15.204 1.00 21.25 C ATOM 139 OD1 ASN A 10 24.535 -4.423 -16.108 1.00 24.31 O ATOM 140 ND2 ASN A 10 23.289 -2.770 -15.238 1.00 52.11 N ATOM 0 H ASN A 10 23.639 -2.079 -12.636 1.00 74.03 H new ATOM 0 HA ASN A 10 23.998 -4.962 -12.887 1.00 61.22 H new ATOM 0 HB2 ASN A 10 25.562 -2.534 -13.850 1.00 33.55 H new ATOM 0 HB3 ASN A 10 26.076 -4.185 -14.136 1.00 33.55 H new ATOM 0 HD21 ASN A 10 22.654 -2.767 -16.037 1.00 52.11 H new ATOM 0 HD22 ASN A 10 23.140 -2.121 -14.466 1.00 52.11 H new ATOM 147 N GLY A 11 25.010 -4.698 -10.445 1.00 2.13 N ATOM 148 CA GLY A 11 25.879 -4.900 -9.300 1.00 34.03 C ATOM 149 C GLY A 11 25.289 -5.861 -8.287 1.00 75.41 C ATOM 150 O GLY A 11 24.628 -6.833 -8.655 1.00 63.20 O ATOM 0 H GLY A 11 24.044 -4.993 -10.307 1.00 2.13 H new ATOM 0 HA2 GLY A 11 26.841 -5.282 -9.641 1.00 34.03 H new ATOM 0 HA3 GLY A 11 26.069 -3.941 -8.818 1.00 34.03 H new ATOM 154 N ASP A 12 25.528 -5.592 -7.009 1.00 13.45 N ATOM 155 CA ASP A 12 25.016 -6.441 -5.939 1.00 54.41 C ATOM 156 C ASP A 12 23.491 -6.482 -5.961 1.00 52.01 C ATOM 157 O ASP A 12 22.893 -7.463 -6.402 1.00 42.30 O ATOM 158 CB ASP A 12 25.505 -5.937 -4.580 1.00 51.14 C ATOM 159 CG ASP A 12 24.893 -6.703 -3.424 1.00 72.02 C ATOM 160 OD1 ASP A 12 24.618 -7.909 -3.592 1.00 21.53 O ATOM 161 OD2 ASP A 12 24.687 -6.096 -2.352 1.00 45.11 O ATOM 0 H ASP A 12 26.073 -4.792 -6.688 1.00 13.45 H new ATOM 0 HA ASP A 12 25.392 -7.452 -6.099 1.00 54.41 H new ATOM 0 HB2 ASP A 12 26.591 -6.021 -4.534 1.00 51.14 H new ATOM 0 HB3 ASP A 12 25.263 -4.879 -4.480 1.00 51.14 H new ATOM 166 N ASN A 13 22.868 -5.410 -5.481 1.00 72.52 N ATOM 167 CA ASN A 13 21.412 -5.325 -5.444 1.00 64.22 C ATOM 168 C ASN A 13 20.959 -3.901 -5.139 1.00 55.23 C ATOM 169 O ASN A 13 21.265 -3.353 -4.080 1.00 34.33 O ATOM 170 CB ASN A 13 20.851 -6.287 -4.395 1.00 52.11 C ATOM 171 CG ASN A 13 21.750 -6.405 -3.179 1.00 74.23 C ATOM 172 OD1 ASN A 13 22.202 -5.402 -2.628 1.00 11.21 O ATOM 173 ND2 ASN A 13 22.013 -7.636 -2.756 1.00 33.02 N ATOM 0 H ASN A 13 23.348 -4.589 -5.113 1.00 72.52 H new ATOM 0 HA ASN A 13 21.031 -5.606 -6.426 1.00 64.22 H new ATOM 0 HB2 ASN A 13 19.865 -5.944 -4.082 1.00 52.11 H new ATOM 0 HB3 ASN A 13 20.719 -7.272 -4.843 1.00 52.11 H new ATOM 0 HD21 ASN A 13 22.612 -7.779 -1.943 1.00 33.02 H new ATOM 0 HD22 ASN A 13 21.616 -8.439 -3.244 1.00 33.02 H new ATOM 180 N CYS A 14 20.226 -3.306 -6.075 1.00 63.01 N ATOM 181 CA CYS A 14 19.729 -1.946 -5.908 1.00 42.31 C ATOM 182 C CYS A 14 18.533 -1.916 -4.961 1.00 23.13 C ATOM 183 O CYS A 14 17.780 -2.885 -4.864 1.00 53.13 O ATOM 184 CB CYS A 14 19.335 -1.354 -7.263 1.00 63.40 C ATOM 185 SG CYS A 14 18.023 -2.278 -8.124 1.00 74.42 S ATOM 0 H CYS A 14 19.963 -3.745 -6.957 1.00 63.01 H new ATOM 0 HA CYS A 14 20.528 -1.345 -5.475 1.00 42.31 H new ATOM 0 HB2 CYS A 14 19.004 -0.326 -7.116 1.00 63.40 H new ATOM 0 HB3 CYS A 14 20.217 -1.317 -7.902 1.00 63.40 H new ATOM 190 N PHE A 15 18.366 -0.797 -4.263 1.00 73.43 N ATOM 191 CA PHE A 15 17.262 -0.641 -3.323 1.00 2.12 C ATOM 192 C PHE A 15 16.296 0.442 -3.794 1.00 35.41 C ATOM 193 O PHE A 15 16.679 1.597 -3.969 1.00 12.42 O ATOM 194 CB PHE A 15 17.795 -0.294 -1.931 1.00 45.13 C ATOM 195 CG PHE A 15 18.291 -1.487 -1.165 1.00 11.34 C ATOM 196 CD1 PHE A 15 19.438 -2.155 -1.562 1.00 52.12 C ATOM 197 CD2 PHE A 15 17.610 -1.939 -0.046 1.00 61.50 C ATOM 198 CE1 PHE A 15 19.895 -3.253 -0.859 1.00 22.21 C ATOM 199 CE2 PHE A 15 18.063 -3.037 0.662 1.00 60.04 C ATOM 200 CZ PHE A 15 19.208 -3.694 0.255 1.00 32.01 C ATOM 0 H PHE A 15 18.981 0.014 -4.331 1.00 73.43 H new ATOM 0 HA PHE A 15 16.723 -1.587 -3.273 1.00 2.12 H new ATOM 0 HB2 PHE A 15 18.606 0.427 -2.031 1.00 45.13 H new ATOM 0 HB3 PHE A 15 17.005 0.192 -1.359 1.00 45.13 H new ATOM 0 HD1 PHE A 15 19.981 -1.814 -2.431 1.00 52.12 H new ATOM 0 HD2 PHE A 15 16.715 -1.428 0.277 1.00 61.50 H new ATOM 0 HE1 PHE A 15 20.789 -3.766 -1.180 1.00 22.21 H new ATOM 0 HE2 PHE A 15 17.523 -3.380 1.532 1.00 60.04 H new ATOM 0 HZ PHE A 15 19.565 -4.551 0.807 1.00 32.01 H new ATOM 210 N ASN A 16 15.040 0.057 -3.998 1.00 13.13 N ATOM 211 CA ASN A 16 14.017 0.994 -4.450 1.00 23.13 C ATOM 212 C ASN A 16 12.620 0.432 -4.209 1.00 73.52 C ATOM 213 O ASN A 16 12.014 -0.187 -5.084 1.00 35.51 O ATOM 214 CB ASN A 16 14.204 1.307 -5.936 1.00 4.45 C ATOM 215 CG ASN A 16 13.660 2.672 -6.312 1.00 32.15 C ATOM 216 OD1 ASN A 16 13.569 3.569 -5.473 1.00 74.31 O ATOM 217 ND2 ASN A 16 13.295 2.834 -7.578 1.00 15.51 N ATOM 0 H ASN A 16 14.706 -0.897 -3.858 1.00 13.13 H new ATOM 0 HA ASN A 16 14.123 1.914 -3.875 1.00 23.13 H new ATOM 0 HB2 ASN A 16 15.264 1.261 -6.184 1.00 4.45 H new ATOM 0 HB3 ASN A 16 13.704 0.543 -6.531 1.00 4.45 H new ATOM 0 HD21 ASN A 16 12.921 3.730 -7.890 1.00 15.51 H new ATOM 0 HD22 ASN A 16 13.388 2.062 -8.238 1.00 15.51 H new ATOM 224 N PRO A 17 12.094 0.651 -2.995 1.00 3.42 N ATOM 225 CA PRO A 17 10.762 0.176 -2.611 1.00 12.12 C ATOM 226 C PRO A 17 9.648 0.924 -3.336 1.00 3.12 C ATOM 227 O PRO A 17 9.469 2.126 -3.145 1.00 1.54 O ATOM 228 CB PRO A 17 10.704 0.458 -1.107 1.00 64.33 C ATOM 229 CG PRO A 17 11.662 1.579 -0.895 1.00 63.30 C ATOM 230 CD PRO A 17 12.760 1.382 -1.903 1.00 64.42 C ATOM 0 HA PRO A 17 10.614 -0.873 -2.868 1.00 12.12 H new ATOM 0 HB2 PRO A 17 9.697 0.733 -0.794 1.00 64.33 H new ATOM 0 HB3 PRO A 17 10.988 -0.421 -0.528 1.00 64.33 H new ATOM 0 HG2 PRO A 17 11.172 2.543 -1.035 1.00 63.30 H new ATOM 0 HG3 PRO A 17 12.058 1.567 0.121 1.00 63.30 H new ATOM 0 HD2 PRO A 17 13.166 2.334 -2.246 1.00 64.42 H new ATOM 0 HD3 PRO A 17 13.591 0.812 -1.486 1.00 64.42 H new ATOM 238 N MET A 18 8.903 0.204 -4.168 1.00 13.51 N ATOM 239 CA MET A 18 7.805 0.801 -4.920 1.00 40.12 C ATOM 240 C MET A 18 6.509 0.028 -4.697 1.00 23.23 C ATOM 241 O MET A 18 6.514 -1.201 -4.621 1.00 2.12 O ATOM 242 CB MET A 18 8.141 0.836 -6.412 1.00 51.23 C ATOM 243 CG MET A 18 6.921 0.984 -7.307 1.00 35.24 C ATOM 244 SD MET A 18 7.283 1.868 -8.836 1.00 13.35 S ATOM 245 CE MET A 18 6.616 3.487 -8.457 1.00 33.25 C ATOM 0 H MET A 18 9.039 -0.792 -4.339 1.00 13.51 H new ATOM 0 HA MET A 18 7.665 1.821 -4.562 1.00 40.12 H new ATOM 0 HB2 MET A 18 8.824 1.664 -6.603 1.00 51.23 H new ATOM 0 HB3 MET A 18 8.668 -0.080 -6.679 1.00 51.23 H new ATOM 0 HG2 MET A 18 6.530 -0.005 -7.548 1.00 35.24 H new ATOM 0 HG3 MET A 18 6.138 1.513 -6.763 1.00 35.24 H new ATOM 0 HE1 MET A 18 6.764 4.150 -9.309 1.00 33.25 H new ATOM 0 HE2 MET A 18 5.550 3.401 -8.245 1.00 33.25 H new ATOM 0 HE3 MET A 18 7.127 3.896 -7.586 1.00 33.25 H new ATOM 255 N ARG A 19 5.402 0.755 -4.592 1.00 11.10 N ATOM 256 CA ARG A 19 4.099 0.137 -4.376 1.00 24.23 C ATOM 257 C ARG A 19 3.576 -0.493 -5.663 1.00 51.23 C ATOM 258 O ARG A 19 3.523 0.157 -6.708 1.00 14.11 O ATOM 259 CB ARG A 19 3.099 1.172 -3.858 1.00 42.33 C ATOM 260 CG ARG A 19 1.813 0.563 -3.325 1.00 52.12 C ATOM 261 CD ARG A 19 2.044 -0.163 -2.009 1.00 71.34 C ATOM 262 NE ARG A 19 1.825 0.708 -0.858 1.00 24.34 N ATOM 263 CZ ARG A 19 2.415 0.531 0.320 1.00 41.25 C ATOM 264 NH1 ARG A 19 3.255 -0.479 0.499 1.00 10.12 N ATOM 265 NH2 ARG A 19 2.165 1.366 1.320 1.00 44.52 N ATOM 0 H ARG A 19 5.381 1.773 -4.653 1.00 11.10 H new ATOM 0 HA ARG A 19 4.217 -0.649 -3.630 1.00 24.23 H new ATOM 0 HB2 ARG A 19 3.570 1.755 -3.067 1.00 42.33 H new ATOM 0 HB3 ARG A 19 2.856 1.865 -4.664 1.00 42.33 H new ATOM 0 HG2 ARG A 19 1.069 1.347 -3.184 1.00 52.12 H new ATOM 0 HG3 ARG A 19 1.407 -0.133 -4.059 1.00 52.12 H new ATOM 0 HD2 ARG A 19 1.375 -1.022 -1.946 1.00 71.34 H new ATOM 0 HD3 ARG A 19 3.063 -0.550 -1.982 1.00 71.34 H new ATOM 0 HE ARG A 19 1.185 1.495 -0.963 1.00 24.34 H new ATOM 0 HH11 ARG A 19 3.450 -1.122 -0.268 1.00 10.12 H new ATOM 0 HH12 ARG A 19 3.706 -0.613 1.404 1.00 10.12 H new ATOM 0 HH21 ARG A 19 1.520 2.144 1.185 1.00 44.52 H new ATOM 0 HH22 ARG A 19 2.618 1.230 2.224 1.00 44.52 H new ATOM 279 N CYS A 20 3.191 -1.762 -5.581 1.00 51.02 N ATOM 280 CA CYS A 20 2.673 -2.481 -6.739 1.00 14.22 C ATOM 281 C CYS A 20 1.221 -2.096 -7.013 1.00 24.33 C ATOM 282 O CYS A 20 0.492 -1.654 -6.125 1.00 1.11 O ATOM 283 CB CYS A 20 2.779 -3.991 -6.517 1.00 55.21 C ATOM 284 SG CYS A 20 4.406 -4.541 -5.912 1.00 63.11 S ATOM 0 H CYS A 20 3.228 -2.314 -4.724 1.00 51.02 H new ATOM 0 HA CYS A 20 3.274 -2.205 -7.606 1.00 14.22 H new ATOM 0 HB2 CYS A 20 2.015 -4.297 -5.802 1.00 55.21 H new ATOM 0 HB3 CYS A 20 2.560 -4.502 -7.455 1.00 55.21 H new ATOM 289 N PRO A 21 0.791 -2.269 -8.271 1.00 43.14 N ATOM 290 CA PRO A 21 -0.576 -1.947 -8.692 1.00 23.32 C ATOM 291 C PRO A 21 -1.604 -2.908 -8.105 1.00 10.03 C ATOM 292 O PRO A 21 -1.289 -3.705 -7.221 1.00 55.41 O ATOM 293 CB PRO A 21 -0.521 -2.088 -10.215 1.00 62.31 C ATOM 294 CG PRO A 21 0.597 -3.041 -10.467 1.00 54.22 C ATOM 295 CD PRO A 21 1.606 -2.792 -9.381 1.00 1.11 C ATOM 0 HA PRO A 21 -0.885 -0.958 -8.353 1.00 23.32 H new ATOM 0 HB2 PRO A 21 -1.462 -2.468 -10.612 1.00 62.31 H new ATOM 0 HB3 PRO A 21 -0.338 -1.127 -10.695 1.00 62.31 H new ATOM 0 HG2 PRO A 21 0.244 -4.072 -10.443 1.00 54.22 H new ATOM 0 HG3 PRO A 21 1.035 -2.877 -11.452 1.00 54.22 H new ATOM 0 HD2 PRO A 21 2.128 -3.707 -9.100 1.00 1.11 H new ATOM 0 HD3 PRO A 21 2.365 -2.075 -9.694 1.00 1.11 H new ATOM 303 N ALA A 22 -2.834 -2.827 -8.602 1.00 21.41 N ATOM 304 CA ALA A 22 -3.908 -3.692 -8.128 1.00 4.31 C ATOM 305 C ALA A 22 -3.970 -4.983 -8.936 1.00 62.40 C ATOM 306 O ALA A 22 -5.029 -5.596 -9.064 1.00 55.10 O ATOM 307 CB ALA A 22 -5.241 -2.961 -8.193 1.00 62.32 C ATOM 0 H ALA A 22 -3.112 -2.171 -9.333 1.00 21.41 H new ATOM 0 HA ALA A 22 -3.700 -3.954 -7.091 1.00 4.31 H new ATOM 0 HB1 ALA A 22 -6.034 -3.618 -7.836 1.00 62.32 H new ATOM 0 HB2 ALA A 22 -5.198 -2.070 -7.566 1.00 62.32 H new ATOM 0 HB3 ALA A 22 -5.447 -2.670 -9.223 1.00 62.32 H new ATOM 313 N MET A 23 -2.828 -5.391 -9.480 1.00 22.32 N ATOM 314 CA MET A 23 -2.753 -6.611 -10.275 1.00 75.24 C ATOM 315 C MET A 23 -1.604 -7.497 -9.806 1.00 61.11 C ATOM 316 O MET A 23 -1.596 -8.703 -10.052 1.00 35.55 O ATOM 317 CB MET A 23 -2.578 -6.270 -11.756 1.00 41.23 C ATOM 318 CG MET A 23 -1.268 -5.564 -12.066 1.00 63.11 C ATOM 319 SD MET A 23 -0.879 -5.563 -13.827 1.00 22.03 S ATOM 320 CE MET A 23 0.743 -6.324 -13.816 1.00 13.13 C ATOM 0 H MET A 23 -1.942 -4.895 -9.385 1.00 22.32 H new ATOM 0 HA MET A 23 -3.686 -7.158 -10.143 1.00 75.24 H new ATOM 0 HB2 MET A 23 -2.634 -7.188 -12.341 1.00 41.23 H new ATOM 0 HB3 MET A 23 -3.407 -5.638 -12.075 1.00 41.23 H new ATOM 0 HG2 MET A 23 -1.321 -4.535 -11.709 1.00 63.11 H new ATOM 0 HG3 MET A 23 -0.460 -6.050 -11.520 1.00 63.11 H new ATOM 0 HE1 MET A 23 1.119 -6.394 -14.837 1.00 13.13 H new ATOM 0 HE2 MET A 23 1.425 -5.719 -13.219 1.00 13.13 H new ATOM 0 HE3 MET A 23 0.673 -7.323 -13.386 1.00 13.13 H new ATOM 330 N VAL A 24 -0.633 -6.891 -9.130 1.00 12.21 N ATOM 331 CA VAL A 24 0.521 -7.625 -8.626 1.00 21.03 C ATOM 332 C VAL A 24 0.317 -8.040 -7.173 1.00 74.42 C ATOM 333 O VAL A 24 -0.231 -7.284 -6.372 1.00 35.00 O ATOM 334 CB VAL A 24 1.809 -6.787 -8.732 1.00 63.41 C ATOM 335 CG1 VAL A 24 2.889 -7.349 -7.819 1.00 74.12 C ATOM 336 CG2 VAL A 24 2.293 -6.735 -10.173 1.00 72.15 C ATOM 0 H VAL A 24 -0.623 -5.893 -8.919 1.00 12.21 H new ATOM 0 HA VAL A 24 0.624 -8.516 -9.245 1.00 21.03 H new ATOM 0 HB VAL A 24 1.587 -5.770 -8.410 1.00 63.41 H new ATOM 0 HG11 VAL A 24 3.791 -6.744 -7.908 1.00 74.12 H new ATOM 0 HG12 VAL A 24 2.539 -7.330 -6.787 1.00 74.12 H new ATOM 0 HG13 VAL A 24 3.111 -8.376 -8.108 1.00 74.12 H new ATOM 0 HG21 VAL A 24 3.204 -6.139 -10.230 1.00 72.15 H new ATOM 0 HG22 VAL A 24 2.499 -7.746 -10.524 1.00 72.15 H new ATOM 0 HG23 VAL A 24 1.524 -6.283 -10.799 1.00 72.15 H new ATOM 346 N ALA A 25 0.761 -9.248 -6.840 1.00 44.35 N ATOM 347 CA ALA A 25 0.630 -9.763 -5.483 1.00 74.24 C ATOM 348 C ALA A 25 1.892 -10.501 -5.052 1.00 21.44 C ATOM 349 O ALA A 25 1.915 -11.155 -4.008 1.00 55.03 O ATOM 350 CB ALA A 25 -0.581 -10.680 -5.382 1.00 43.33 C ATOM 0 H ALA A 25 1.215 -9.888 -7.492 1.00 44.35 H new ATOM 0 HA ALA A 25 0.489 -8.917 -4.811 1.00 74.24 H new ATOM 0 HB1 ALA A 25 -0.667 -11.058 -4.363 1.00 43.33 H new ATOM 0 HB2 ALA A 25 -1.482 -10.123 -5.640 1.00 43.33 H new ATOM 0 HB3 ALA A 25 -0.462 -11.517 -6.070 1.00 43.33 H new ATOM 356 N TYR A 26 2.940 -10.394 -5.860 1.00 45.40 N ATOM 357 CA TYR A 26 4.206 -11.054 -5.563 1.00 0.23 C ATOM 358 C TYR A 26 5.384 -10.226 -6.068 1.00 21.34 C ATOM 359 O TYR A 26 5.247 -9.432 -6.999 1.00 32.22 O ATOM 360 CB TYR A 26 4.239 -12.447 -6.194 1.00 3.23 C ATOM 361 CG TYR A 26 3.378 -13.459 -5.472 1.00 63.04 C ATOM 362 CD1 TYR A 26 2.009 -13.522 -5.697 1.00 53.33 C ATOM 363 CD2 TYR A 26 3.935 -14.354 -4.567 1.00 11.45 C ATOM 364 CE1 TYR A 26 1.218 -14.444 -5.040 1.00 24.31 C ATOM 365 CE2 TYR A 26 3.152 -15.281 -3.906 1.00 5.34 C ATOM 366 CZ TYR A 26 1.795 -15.322 -4.145 1.00 52.22 C ATOM 367 OH TYR A 26 1.011 -16.243 -3.489 1.00 61.34 O ATOM 0 H TYR A 26 2.938 -9.856 -6.727 1.00 45.40 H new ATOM 0 HA TYR A 26 4.291 -11.151 -4.481 1.00 0.23 H new ATOM 0 HB2 TYR A 26 3.909 -12.375 -7.230 1.00 3.23 H new ATOM 0 HB3 TYR A 26 5.269 -12.805 -6.211 1.00 3.23 H new ATOM 0 HD1 TYR A 26 1.555 -12.838 -6.398 1.00 53.33 H new ATOM 0 HD2 TYR A 26 4.998 -14.325 -4.377 1.00 11.45 H new ATOM 0 HE1 TYR A 26 0.155 -14.478 -5.225 1.00 24.31 H new ATOM 0 HE2 TYR A 26 3.601 -15.970 -3.206 1.00 5.34 H new ATOM 0 HH TYR A 26 0.827 -15.927 -2.580 1.00 61.34 H new ATOM 377 N CYS A 27 6.543 -10.418 -5.447 1.00 30.45 N ATOM 378 CA CYS A 27 7.747 -9.692 -5.831 1.00 12.42 C ATOM 379 C CYS A 27 8.701 -10.593 -6.610 1.00 12.50 C ATOM 380 O CYS A 27 8.839 -11.777 -6.306 1.00 60.03 O ATOM 381 CB CYS A 27 8.450 -9.137 -4.591 1.00 5.42 C ATOM 382 SG CYS A 27 7.321 -8.430 -3.349 1.00 33.04 S ATOM 0 H CYS A 27 6.674 -11.071 -4.675 1.00 30.45 H new ATOM 0 HA CYS A 27 7.452 -8.863 -6.475 1.00 12.42 H new ATOM 0 HB2 CYS A 27 9.029 -9.936 -4.127 1.00 5.42 H new ATOM 0 HB3 CYS A 27 9.158 -8.369 -4.901 1.00 5.42 H new ATOM 387 N MET A 28 9.356 -10.022 -7.615 1.00 43.23 N ATOM 388 CA MET A 28 10.298 -10.773 -8.437 1.00 44.30 C ATOM 389 C MET A 28 11.708 -10.206 -8.303 1.00 24.41 C ATOM 390 O MET A 28 11.895 -8.993 -8.208 1.00 42.22 O ATOM 391 CB MET A 28 9.863 -10.746 -9.903 1.00 71.34 C ATOM 392 CG MET A 28 10.818 -11.476 -10.834 1.00 74.32 C ATOM 393 SD MET A 28 10.568 -11.041 -12.566 1.00 1.30 S ATOM 394 CE MET A 28 9.477 -12.360 -13.093 1.00 11.30 C ATOM 0 H MET A 28 9.252 -9.042 -7.880 1.00 43.23 H new ATOM 0 HA MET A 28 10.305 -11.805 -8.086 1.00 44.30 H new ATOM 0 HB2 MET A 28 8.873 -11.194 -9.988 1.00 71.34 H new ATOM 0 HB3 MET A 28 9.773 -9.709 -10.228 1.00 71.34 H new ATOM 0 HG2 MET A 28 11.844 -11.244 -10.550 1.00 74.32 H new ATOM 0 HG3 MET A 28 10.688 -12.551 -10.711 1.00 74.32 H new ATOM 0 HE1 MET A 28 9.231 -12.230 -14.147 1.00 11.30 H new ATOM 0 HE2 MET A 28 9.973 -13.320 -12.952 1.00 11.30 H new ATOM 0 HE3 MET A 28 8.562 -12.334 -12.501 1.00 11.30 H new ATOM 404 N THR A 29 12.699 -11.093 -8.295 1.00 43.22 N ATOM 405 CA THR A 29 14.092 -10.681 -8.171 1.00 71.32 C ATOM 406 C THR A 29 15.009 -11.594 -8.977 1.00 72.13 C ATOM 407 O THR A 29 15.290 -12.723 -8.574 1.00 31.23 O ATOM 408 CB THR A 29 14.549 -10.683 -6.700 1.00 42.53 C ATOM 409 OG1 THR A 29 13.780 -9.738 -5.947 1.00 61.04 O ATOM 410 CG2 THR A 29 16.028 -10.341 -6.593 1.00 14.31 C ATOM 0 H THR A 29 12.562 -12.101 -8.373 1.00 43.22 H new ATOM 0 HA THR A 29 14.158 -9.666 -8.563 1.00 71.32 H new ATOM 0 HB THR A 29 14.393 -11.683 -6.295 1.00 42.53 H new ATOM 0 HG1 THR A 29 13.075 -10.208 -5.455 1.00 61.04 H new ATOM 0 HG21 THR A 29 16.328 -10.348 -5.545 1.00 14.31 H new ATOM 0 HG22 THR A 29 16.613 -11.078 -7.143 1.00 14.31 H new ATOM 0 HG23 THR A 29 16.204 -9.351 -7.014 1.00 14.31 H new ATOM 418 N THR A 30 15.474 -11.098 -10.120 1.00 21.52 N ATOM 419 CA THR A 30 16.359 -11.870 -10.983 1.00 44.22 C ATOM 420 C THR A 30 17.808 -11.423 -10.825 1.00 23.24 C ATOM 421 O THR A 30 18.226 -10.421 -11.404 1.00 54.44 O ATOM 422 CB THR A 30 15.953 -11.740 -12.463 1.00 63.54 C ATOM 423 OG1 THR A 30 14.541 -11.930 -12.602 1.00 72.02 O ATOM 424 CG2 THR A 30 16.693 -12.758 -13.318 1.00 62.24 C ATOM 0 H THR A 30 15.252 -10.166 -10.469 1.00 21.52 H new ATOM 0 HA THR A 30 16.268 -12.913 -10.678 1.00 44.22 H new ATOM 0 HB THR A 30 16.220 -10.740 -12.804 1.00 63.54 H new ATOM 0 HG1 THR A 30 14.291 -11.844 -13.546 1.00 72.02 H new ATOM 0 HG21 THR A 30 16.390 -12.647 -14.359 1.00 62.24 H new ATOM 0 HG22 THR A 30 17.767 -12.593 -13.233 1.00 62.24 H new ATOM 0 HG23 THR A 30 16.453 -13.764 -12.975 1.00 62.24 H new ATOM 432 N ARG A 31 18.571 -12.174 -10.036 1.00 41.35 N ATOM 433 CA ARG A 31 19.974 -11.854 -9.802 1.00 30.23 C ATOM 434 C ARG A 31 20.880 -12.685 -10.706 1.00 54.33 C ATOM 435 O ARG A 31 21.137 -13.859 -10.437 1.00 51.33 O ATOM 436 CB ARG A 31 20.336 -12.099 -8.336 1.00 25.13 C ATOM 437 CG ARG A 31 19.735 -13.372 -7.764 1.00 73.52 C ATOM 438 CD ARG A 31 20.128 -13.570 -6.308 1.00 54.44 C ATOM 439 NE ARG A 31 19.494 -12.588 -5.433 1.00 14.34 N ATOM 440 CZ ARG A 31 19.387 -12.737 -4.117 1.00 4.21 C ATOM 441 NH1 ARG A 31 19.871 -13.822 -3.528 1.00 52.11 N ATOM 442 NH2 ARG A 31 18.797 -11.799 -3.387 1.00 51.23 N ATOM 0 H ARG A 31 18.241 -13.007 -9.549 1.00 41.35 H new ATOM 0 HA ARG A 31 20.124 -10.800 -10.036 1.00 30.23 H new ATOM 0 HB2 ARG A 31 21.421 -12.145 -8.242 1.00 25.13 H new ATOM 0 HB3 ARG A 31 20.000 -11.250 -7.741 1.00 25.13 H new ATOM 0 HG2 ARG A 31 18.649 -13.331 -7.846 1.00 73.52 H new ATOM 0 HG3 ARG A 31 20.067 -14.228 -8.351 1.00 73.52 H new ATOM 0 HD2 ARG A 31 19.847 -14.574 -5.990 1.00 54.44 H new ATOM 0 HD3 ARG A 31 21.211 -13.496 -6.211 1.00 54.44 H new ATOM 0 HE ARG A 31 19.112 -11.741 -5.855 1.00 14.34 H new ATOM 0 HH11 ARG A 31 20.327 -14.545 -4.085 1.00 52.11 H new ATOM 0 HH12 ARG A 31 19.788 -13.934 -2.518 1.00 52.11 H new ATOM 0 HH21 ARG A 31 18.425 -10.962 -3.836 1.00 51.23 H new ATOM 0 HH22 ARG A 31 18.716 -11.915 -2.377 1.00 51.23 H new ATOM 456 N THR A 32 21.360 -12.068 -11.781 1.00 45.42 N ATOM 457 CA THR A 32 22.235 -12.749 -12.727 1.00 25.45 C ATOM 458 C THR A 32 23.698 -12.613 -12.319 1.00 30.45 C ATOM 459 O THR A 32 24.069 -11.682 -11.604 1.00 42.11 O ATOM 460 CB THR A 32 22.059 -12.198 -14.154 1.00 1.32 C ATOM 461 OG1 THR A 32 20.666 -12.081 -14.465 1.00 43.22 O ATOM 462 CG2 THR A 32 22.737 -13.103 -15.171 1.00 42.34 C ATOM 0 H THR A 32 21.157 -11.097 -12.018 1.00 45.42 H new ATOM 0 HA THR A 32 21.953 -13.802 -12.715 1.00 25.45 H new ATOM 0 HB THR A 32 22.525 -11.214 -14.200 1.00 1.32 H new ATOM 0 HG1 THR A 32 20.562 -11.728 -15.373 1.00 43.22 H new ATOM 0 HG21 THR A 32 22.599 -12.693 -16.172 1.00 42.34 H new ATOM 0 HG22 THR A 32 23.802 -13.167 -14.948 1.00 42.34 H new ATOM 0 HG23 THR A 32 22.296 -14.099 -15.123 1.00 42.34 H new ATOM 470 N TYR A 33 24.524 -13.547 -12.777 1.00 3.01 N ATOM 471 CA TYR A 33 25.947 -13.532 -12.458 1.00 11.12 C ATOM 472 C TYR A 33 26.788 -13.778 -13.707 1.00 30.34 C ATOM 473 O TYR A 33 26.915 -14.912 -14.170 1.00 55.11 O ATOM 474 CB TYR A 33 26.265 -14.589 -11.399 1.00 14.23 C ATOM 475 CG TYR A 33 25.183 -14.743 -10.354 1.00 33.41 C ATOM 476 CD1 TYR A 33 25.158 -13.934 -9.225 1.00 42.53 C ATOM 477 CD2 TYR A 33 24.184 -15.699 -10.496 1.00 61.21 C ATOM 478 CE1 TYR A 33 24.172 -14.072 -8.268 1.00 70.00 C ATOM 479 CE2 TYR A 33 23.193 -15.844 -9.545 1.00 0.25 C ATOM 480 CZ TYR A 33 23.192 -15.028 -8.432 1.00 74.22 C ATOM 481 OH TYR A 33 22.207 -15.168 -7.481 1.00 74.45 O ATOM 0 H TYR A 33 24.233 -14.324 -13.370 1.00 3.01 H new ATOM 0 HA TYR A 33 26.195 -12.546 -12.064 1.00 11.12 H new ATOM 0 HB2 TYR A 33 26.422 -15.549 -11.891 1.00 14.23 H new ATOM 0 HB3 TYR A 33 27.201 -14.327 -10.905 1.00 14.23 H new ATOM 0 HD1 TYR A 33 25.923 -13.184 -9.093 1.00 42.53 H new ATOM 0 HD2 TYR A 33 24.183 -16.340 -11.365 1.00 61.21 H new ATOM 0 HE1 TYR A 33 24.169 -13.435 -7.396 1.00 70.00 H new ATOM 0 HE2 TYR A 33 22.424 -16.591 -9.672 1.00 0.25 H new ATOM 0 HH TYR A 33 21.681 -15.973 -7.671 1.00 74.45 H new ATOM 491 N TYR A 34 27.361 -12.708 -14.246 1.00 24.40 N ATOM 492 CA TYR A 34 28.189 -12.806 -15.442 1.00 64.31 C ATOM 493 C TYR A 34 29.625 -13.175 -15.082 1.00 23.10 C ATOM 494 O TYR A 34 30.104 -14.259 -15.418 1.00 44.31 O ATOM 495 CB TYR A 34 28.168 -11.485 -16.212 1.00 3.30 C ATOM 496 CG TYR A 34 26.930 -11.297 -17.058 1.00 54.33 C ATOM 497 CD1 TYR A 34 25.715 -10.951 -16.480 1.00 13.01 C ATOM 498 CD2 TYR A 34 26.975 -11.464 -18.437 1.00 54.11 C ATOM 499 CE1 TYR A 34 24.580 -10.779 -17.249 1.00 44.03 C ATOM 500 CE2 TYR A 34 25.846 -11.293 -19.215 1.00 14.54 C ATOM 501 CZ TYR A 34 24.651 -10.951 -18.616 1.00 51.41 C ATOM 502 OH TYR A 34 23.524 -10.779 -19.386 1.00 54.22 O ATOM 0 H TYR A 34 27.267 -11.763 -13.874 1.00 24.40 H new ATOM 0 HA TYR A 34 27.778 -13.594 -16.074 1.00 64.31 H new ATOM 0 HB2 TYR A 34 28.242 -10.660 -15.504 1.00 3.30 H new ATOM 0 HB3 TYR A 34 29.048 -11.434 -16.854 1.00 3.30 H new ATOM 0 HD1 TYR A 34 25.657 -10.814 -15.410 1.00 13.01 H new ATOM 0 HD2 TYR A 34 27.909 -11.732 -18.909 1.00 54.11 H new ATOM 0 HE1 TYR A 34 23.643 -10.512 -16.783 1.00 44.03 H new ATOM 0 HE2 TYR A 34 25.899 -11.426 -20.285 1.00 14.54 H new ATOM 0 HH TYR A 34 23.744 -10.936 -20.328 1.00 54.22 H new ATOM 512 N THR A 35 30.309 -12.265 -14.394 1.00 75.23 N ATOM 513 CA THR A 35 31.690 -12.493 -13.988 1.00 15.51 C ATOM 514 C THR A 35 31.823 -12.492 -12.469 1.00 71.43 C ATOM 515 O THR A 35 30.962 -11.990 -11.747 1.00 2.35 O ATOM 516 CB THR A 35 32.631 -11.424 -14.575 1.00 11.24 C ATOM 517 OG1 THR A 35 32.764 -10.332 -13.658 1.00 3.11 O ATOM 518 CG2 THR A 35 32.105 -10.912 -15.907 1.00 61.43 C ATOM 0 H THR A 35 29.928 -11.363 -14.107 1.00 75.23 H new ATOM 0 HA THR A 35 31.977 -13.471 -14.375 1.00 15.51 H new ATOM 0 HB THR A 35 33.607 -11.882 -14.739 1.00 11.24 H new ATOM 0 HG1 THR A 35 33.313 -9.629 -14.064 1.00 3.11 H new ATOM 0 HG21 THR A 35 32.786 -10.158 -16.302 1.00 61.43 H new ATOM 0 HG22 THR A 35 32.032 -11.740 -16.612 1.00 61.43 H new ATOM 0 HG23 THR A 35 31.119 -10.470 -15.763 1.00 61.43 H new ATOM 526 N PRO A 36 32.927 -13.068 -11.971 1.00 62.34 N ATOM 527 CA PRO A 36 33.200 -13.146 -10.533 1.00 73.02 C ATOM 528 C PRO A 36 33.520 -11.783 -9.929 1.00 52.13 C ATOM 529 O PRO A 36 33.684 -11.652 -8.716 1.00 22.42 O ATOM 530 CB PRO A 36 34.420 -14.066 -10.453 1.00 21.44 C ATOM 531 CG PRO A 36 35.093 -13.920 -11.774 1.00 2.55 C ATOM 532 CD PRO A 36 33.995 -13.687 -12.774 1.00 62.43 C ATOM 0 HA PRO A 36 32.338 -13.509 -9.974 1.00 73.02 H new ATOM 0 HB2 PRO A 36 35.082 -13.775 -9.637 1.00 21.44 H new ATOM 0 HB3 PRO A 36 34.125 -15.099 -10.271 1.00 21.44 H new ATOM 0 HG2 PRO A 36 35.795 -13.086 -11.764 1.00 2.55 H new ATOM 0 HG3 PRO A 36 35.664 -14.815 -12.022 1.00 2.55 H new ATOM 0 HD2 PRO A 36 34.320 -13.032 -13.583 1.00 62.43 H new ATOM 0 HD3 PRO A 36 33.664 -14.619 -13.232 1.00 62.43 H new ATOM 540 N THR A 37 33.607 -10.768 -10.783 1.00 53.25 N ATOM 541 CA THR A 37 33.908 -9.414 -10.334 1.00 73.52 C ATOM 542 C THR A 37 32.817 -8.439 -10.759 1.00 54.44 C ATOM 543 O THR A 37 32.854 -7.259 -10.408 1.00 63.21 O ATOM 544 CB THR A 37 35.260 -8.927 -10.887 1.00 4.03 C ATOM 545 OG1 THR A 37 35.377 -9.271 -12.272 1.00 33.33 O ATOM 546 CG2 THR A 37 36.415 -9.539 -10.108 1.00 62.01 C ATOM 0 H THR A 37 33.473 -10.858 -11.790 1.00 53.25 H new ATOM 0 HA THR A 37 33.959 -9.446 -9.246 1.00 73.52 H new ATOM 0 HB THR A 37 35.302 -7.843 -10.778 1.00 4.03 H new ATOM 0 HG1 THR A 37 36.239 -8.956 -12.616 1.00 33.33 H new ATOM 0 HG21 THR A 37 37.360 -9.181 -10.517 1.00 62.01 H new ATOM 0 HG22 THR A 37 36.340 -9.250 -9.060 1.00 62.01 H new ATOM 0 HG23 THR A 37 36.373 -10.625 -10.189 1.00 62.01 H new ATOM 554 N ARG A 38 31.845 -8.938 -11.517 1.00 2.52 N ATOM 555 CA ARG A 38 30.743 -8.109 -11.990 1.00 42.42 C ATOM 556 C ARG A 38 29.446 -8.909 -12.046 1.00 74.42 C ATOM 557 O ARG A 38 29.419 -10.032 -12.550 1.00 52.21 O ATOM 558 CB ARG A 38 31.063 -7.539 -13.373 1.00 44.42 C ATOM 559 CG ARG A 38 31.752 -6.184 -13.329 1.00 73.13 C ATOM 560 CD ARG A 38 30.743 -5.047 -13.319 1.00 53.50 C ATOM 561 NE ARG A 38 31.288 -3.826 -13.908 1.00 75.32 N ATOM 562 CZ ARG A 38 30.554 -2.755 -14.190 1.00 71.44 C ATOM 563 NH1 ARG A 38 29.252 -2.754 -13.938 1.00 63.21 N ATOM 564 NH2 ARG A 38 31.122 -1.683 -14.726 1.00 4.43 N ATOM 0 H ARG A 38 31.799 -9.912 -11.816 1.00 2.52 H new ATOM 0 HA ARG A 38 30.612 -7.287 -11.287 1.00 42.42 H new ATOM 0 HB2 ARG A 38 31.699 -8.243 -13.909 1.00 44.42 H new ATOM 0 HB3 ARG A 38 30.138 -7.448 -13.942 1.00 44.42 H new ATOM 0 HG2 ARG A 38 32.380 -6.123 -12.440 1.00 73.13 H new ATOM 0 HG3 ARG A 38 32.410 -6.081 -14.192 1.00 73.13 H new ATOM 0 HD2 ARG A 38 29.852 -5.348 -13.869 1.00 53.50 H new ATOM 0 HD3 ARG A 38 30.432 -4.847 -12.294 1.00 53.50 H new ATOM 0 HE ARG A 38 32.286 -3.794 -14.114 1.00 75.32 H new ATOM 0 HH11 ARG A 38 28.812 -3.577 -13.527 1.00 63.21 H new ATOM 0 HH12 ARG A 38 28.691 -1.930 -14.156 1.00 63.21 H new ATOM 0 HH21 ARG A 38 32.123 -1.680 -14.922 1.00 4.43 H new ATOM 0 HH22 ARG A 38 30.558 -0.861 -14.942 1.00 4.43 H new ATOM 578 N MET A 39 28.372 -8.324 -11.525 1.00 23.42 N ATOM 579 CA MET A 39 27.071 -8.983 -11.516 1.00 64.43 C ATOM 580 C MET A 39 25.960 -7.996 -11.857 1.00 35.13 C ATOM 581 O MET A 39 26.206 -6.801 -12.024 1.00 34.41 O ATOM 582 CB MET A 39 26.806 -9.617 -10.149 1.00 72.24 C ATOM 583 CG MET A 39 27.196 -8.727 -8.981 1.00 23.23 C ATOM 584 SD MET A 39 26.848 -9.487 -7.383 1.00 2.52 S ATOM 585 CE MET A 39 25.121 -9.919 -7.582 1.00 45.32 C ATOM 0 H MET A 39 28.377 -7.395 -11.104 1.00 23.42 H new ATOM 0 HA MET A 39 27.082 -9.766 -12.275 1.00 64.43 H new ATOM 0 HB2 MET A 39 25.747 -9.862 -10.071 1.00 72.24 H new ATOM 0 HB3 MET A 39 27.356 -10.555 -10.080 1.00 72.24 H new ATOM 0 HG2 MET A 39 28.259 -8.495 -9.045 1.00 23.23 H new ATOM 0 HG3 MET A 39 26.659 -7.782 -9.054 1.00 23.23 H new ATOM 0 HE1 MET A 39 24.609 -9.820 -6.625 1.00 45.32 H new ATOM 0 HE2 MET A 39 24.661 -9.252 -8.311 1.00 45.32 H new ATOM 0 HE3 MET A 39 25.041 -10.948 -7.932 1.00 45.32 H new ATOM 595 N LYS A 40 24.735 -8.503 -11.958 1.00 44.42 N ATOM 596 CA LYS A 40 23.585 -7.666 -12.278 1.00 12.13 C ATOM 597 C LYS A 40 22.336 -8.158 -11.553 1.00 21.02 C ATOM 598 O LYS A 40 22.203 -9.347 -11.263 1.00 14.14 O ATOM 599 CB LYS A 40 23.340 -7.655 -13.788 1.00 74.33 C ATOM 600 CG LYS A 40 22.453 -6.513 -14.253 1.00 2.34 C ATOM 601 CD LYS A 40 21.648 -6.896 -15.483 1.00 21.01 C ATOM 602 CE LYS A 40 22.401 -6.574 -16.765 1.00 2.05 C ATOM 603 NZ LYS A 40 22.104 -5.198 -17.252 1.00 24.44 N ATOM 0 H LYS A 40 24.514 -9.490 -11.823 1.00 44.42 H new ATOM 0 HA LYS A 40 23.802 -6.651 -11.944 1.00 12.13 H new ATOM 0 HB2 LYS A 40 24.299 -7.592 -14.303 1.00 74.33 H new ATOM 0 HB3 LYS A 40 22.883 -8.601 -14.080 1.00 74.33 H new ATOM 0 HG2 LYS A 40 21.775 -6.227 -13.449 1.00 2.34 H new ATOM 0 HG3 LYS A 40 23.068 -5.641 -14.477 1.00 2.34 H new ATOM 0 HD2 LYS A 40 21.419 -7.961 -15.452 1.00 21.01 H new ATOM 0 HD3 LYS A 40 20.696 -6.365 -15.476 1.00 21.01 H new ATOM 0 HE2 LYS A 40 23.472 -6.675 -16.592 1.00 2.05 H new ATOM 0 HE3 LYS A 40 22.133 -7.298 -17.535 1.00 2.05 H new ATOM 0 HZ1 LYS A 40 21.930 -5.223 -18.277 1.00 24.44 H new ATOM 0 HZ2 LYS A 40 21.260 -4.832 -16.766 1.00 24.44 H new ATOM 0 HZ3 LYS A 40 22.914 -4.577 -17.053 1.00 24.44 H new ATOM 617 N VAL A 41 21.423 -7.236 -11.264 1.00 71.22 N ATOM 618 CA VAL A 41 20.184 -7.577 -10.576 1.00 33.13 C ATOM 619 C VAL A 41 18.991 -6.871 -11.210 1.00 75.20 C ATOM 620 O VAL A 41 19.132 -5.803 -11.805 1.00 4.24 O ATOM 621 CB VAL A 41 20.251 -7.206 -9.082 1.00 61.23 C ATOM 622 CG1 VAL A 41 20.330 -5.697 -8.910 1.00 20.03 C ATOM 623 CG2 VAL A 41 19.052 -7.774 -8.338 1.00 61.31 C ATOM 0 H VAL A 41 21.518 -6.247 -11.496 1.00 71.22 H new ATOM 0 HA VAL A 41 20.057 -8.655 -10.670 1.00 33.13 H new ATOM 0 HB VAL A 41 21.154 -7.644 -8.657 1.00 61.23 H new ATOM 0 HG11 VAL A 41 20.377 -5.454 -7.849 1.00 20.03 H new ATOM 0 HG12 VAL A 41 21.223 -5.320 -9.408 1.00 20.03 H new ATOM 0 HG13 VAL A 41 19.447 -5.234 -9.350 1.00 20.03 H new ATOM 0 HG21 VAL A 41 19.116 -7.502 -7.284 1.00 61.31 H new ATOM 0 HG22 VAL A 41 18.134 -7.367 -8.763 1.00 61.31 H new ATOM 0 HG23 VAL A 41 19.046 -8.860 -8.433 1.00 61.31 H new ATOM 633 N SER A 42 17.814 -7.476 -11.079 1.00 0.32 N ATOM 634 CA SER A 42 16.595 -6.907 -11.642 1.00 43.22 C ATOM 635 C SER A 42 15.377 -7.304 -10.814 1.00 1.01 C ATOM 636 O SER A 42 14.998 -8.474 -10.767 1.00 22.54 O ATOM 637 CB SER A 42 16.414 -7.367 -13.090 1.00 20.22 C ATOM 638 OG SER A 42 16.991 -8.645 -13.294 1.00 75.54 O ATOM 0 H SER A 42 17.679 -8.360 -10.588 1.00 0.32 H new ATOM 0 HA SER A 42 16.687 -5.821 -11.622 1.00 43.22 H new ATOM 0 HB2 SER A 42 15.352 -7.400 -13.334 1.00 20.22 H new ATOM 0 HB3 SER A 42 16.874 -6.645 -13.765 1.00 20.22 H new ATOM 0 HG SER A 42 16.861 -8.918 -14.226 1.00 75.54 H new ATOM 644 N LYS A 43 14.767 -6.320 -10.161 1.00 70.35 N ATOM 645 CA LYS A 43 13.591 -6.564 -9.335 1.00 54.12 C ATOM 646 C LYS A 43 12.405 -5.735 -9.819 1.00 10.14 C ATOM 647 O LYS A 43 12.576 -4.624 -10.320 1.00 13.41 O ATOM 648 CB LYS A 43 13.893 -6.235 -7.871 1.00 62.44 C ATOM 649 CG LYS A 43 15.134 -6.930 -7.336 1.00 54.31 C ATOM 650 CD LYS A 43 15.827 -6.092 -6.274 1.00 71.45 C ATOM 651 CE LYS A 43 16.901 -6.889 -5.549 1.00 75.34 C ATOM 652 NZ LYS A 43 16.314 -7.939 -4.671 1.00 11.22 N ATOM 0 H LYS A 43 15.068 -5.346 -10.188 1.00 70.35 H new ATOM 0 HA LYS A 43 13.332 -7.620 -9.418 1.00 54.12 H new ATOM 0 HB2 LYS A 43 14.017 -5.157 -7.767 1.00 62.44 H new ATOM 0 HB3 LYS A 43 13.036 -6.517 -7.259 1.00 62.44 H new ATOM 0 HG2 LYS A 43 14.858 -7.897 -6.915 1.00 54.31 H new ATOM 0 HG3 LYS A 43 15.825 -7.125 -8.156 1.00 54.31 H new ATOM 0 HD2 LYS A 43 16.275 -5.213 -6.738 1.00 71.45 H new ATOM 0 HD3 LYS A 43 15.091 -5.733 -5.555 1.00 71.45 H new ATOM 0 HE2 LYS A 43 17.563 -7.354 -6.279 1.00 75.34 H new ATOM 0 HE3 LYS A 43 17.512 -6.214 -4.950 1.00 75.34 H new ATOM 0 HZ1 LYS A 43 17.042 -8.644 -4.438 1.00 11.22 H new ATOM 0 HZ2 LYS A 43 15.962 -7.502 -3.795 1.00 11.22 H new ATOM 0 HZ3 LYS A 43 15.527 -8.405 -5.166 1.00 11.22 H new ATOM 666 N SER A 44 11.204 -6.282 -9.663 1.00 54.04 N ATOM 667 CA SER A 44 9.990 -5.593 -10.086 1.00 73.54 C ATOM 668 C SER A 44 8.754 -6.245 -9.474 1.00 31.51 C ATOM 669 O SER A 44 8.855 -7.234 -8.747 1.00 31.21 O ATOM 670 CB SER A 44 9.880 -5.599 -11.612 1.00 61.54 C ATOM 671 OG SER A 44 9.917 -6.922 -12.121 1.00 51.41 O ATOM 0 H SER A 44 11.045 -7.200 -9.247 1.00 54.04 H new ATOM 0 HA SER A 44 10.047 -4.562 -9.737 1.00 73.54 H new ATOM 0 HB2 SER A 44 8.951 -5.115 -11.915 1.00 61.54 H new ATOM 0 HB3 SER A 44 10.696 -5.018 -12.041 1.00 61.54 H new ATOM 0 HG SER A 44 9.843 -6.899 -13.098 1.00 51.41 H new ATOM 677 N CYS A 45 7.587 -5.684 -9.773 1.00 21.31 N ATOM 678 CA CYS A 45 6.330 -6.209 -9.253 1.00 2.33 C ATOM 679 C CYS A 45 5.631 -7.078 -10.294 1.00 22.43 C ATOM 680 O CYS A 45 5.511 -6.696 -11.458 1.00 35.42 O ATOM 681 CB CYS A 45 5.411 -5.061 -8.830 1.00 74.23 C ATOM 682 SG CYS A 45 5.802 -4.358 -7.196 1.00 34.11 S ATOM 0 H CYS A 45 7.486 -4.865 -10.373 1.00 21.31 H new ATOM 0 HA CYS A 45 6.554 -6.826 -8.383 1.00 2.33 H new ATOM 0 HB2 CYS A 45 5.469 -4.270 -9.577 1.00 74.23 H new ATOM 0 HB3 CYS A 45 4.381 -5.418 -8.823 1.00 74.23 H new ATOM 687 N VAL A 46 5.172 -8.250 -9.866 1.00 20.22 N ATOM 688 CA VAL A 46 4.484 -9.174 -10.759 1.00 72.15 C ATOM 689 C VAL A 46 3.436 -9.987 -10.008 1.00 75.03 C ATOM 690 O VAL A 46 3.550 -10.236 -8.808 1.00 12.10 O ATOM 691 CB VAL A 46 5.473 -10.138 -11.441 1.00 44.30 C ATOM 692 CG1 VAL A 46 6.468 -9.366 -12.295 1.00 21.12 C ATOM 693 CG2 VAL A 46 6.194 -10.984 -10.402 1.00 53.20 C ATOM 0 H VAL A 46 5.264 -8.582 -8.906 1.00 20.22 H new ATOM 0 HA VAL A 46 3.993 -8.569 -11.522 1.00 72.15 H new ATOM 0 HB VAL A 46 4.911 -10.806 -12.094 1.00 44.30 H new ATOM 0 HG11 VAL A 46 7.159 -10.063 -12.769 1.00 21.12 H new ATOM 0 HG12 VAL A 46 5.932 -8.808 -13.063 1.00 21.12 H new ATOM 0 HG13 VAL A 46 7.027 -8.673 -11.666 1.00 21.12 H new ATOM 0 HG21 VAL A 46 6.889 -11.659 -10.901 1.00 53.20 H new ATOM 0 HG22 VAL A 46 6.745 -10.334 -9.722 1.00 53.20 H new ATOM 0 HG23 VAL A 46 5.465 -11.566 -9.837 1.00 53.20 H new ATOM 703 N PRO A 47 2.388 -10.412 -10.730 1.00 30.51 N ATOM 704 CA PRO A 47 1.299 -11.205 -10.152 1.00 75.24 C ATOM 705 C PRO A 47 1.742 -12.617 -9.782 1.00 53.53 C ATOM 706 O PRO A 47 1.460 -13.098 -8.685 1.00 35.10 O ATOM 707 CB PRO A 47 0.258 -11.248 -11.274 1.00 70.42 C ATOM 708 CG PRO A 47 1.043 -11.060 -12.526 1.00 52.33 C ATOM 709 CD PRO A 47 2.187 -10.153 -12.165 1.00 53.24 C ATOM 0 HA PRO A 47 0.928 -10.772 -9.223 1.00 75.24 H new ATOM 0 HB2 PRO A 47 -0.277 -12.197 -11.281 1.00 70.42 H new ATOM 0 HB3 PRO A 47 -0.488 -10.462 -11.153 1.00 70.42 H new ATOM 0 HG2 PRO A 47 1.407 -12.015 -12.906 1.00 52.33 H new ATOM 0 HG3 PRO A 47 0.428 -10.619 -13.310 1.00 52.33 H new ATOM 0 HD2 PRO A 47 3.081 -10.384 -12.744 1.00 53.24 H new ATOM 0 HD3 PRO A 47 1.946 -9.107 -12.355 1.00 53.24 H new ATOM 717 N ARG A 48 2.437 -13.274 -10.704 1.00 62.32 N ATOM 718 CA ARG A 48 2.919 -14.631 -10.474 1.00 73.13 C ATOM 719 C ARG A 48 4.374 -14.773 -10.912 1.00 34.11 C ATOM 720 O ARG A 48 4.704 -14.573 -12.081 1.00 51.11 O ATOM 721 CB ARG A 48 2.048 -15.638 -11.227 1.00 72.52 C ATOM 722 CG ARG A 48 0.752 -15.979 -10.510 1.00 54.21 C ATOM 723 CD ARG A 48 0.253 -17.365 -10.888 1.00 51.34 C ATOM 724 NE ARG A 48 -0.257 -17.408 -12.256 1.00 73.32 N ATOM 725 CZ ARG A 48 -0.723 -18.511 -12.832 1.00 64.21 C ATOM 726 NH1 ARG A 48 -0.742 -19.655 -12.162 1.00 74.12 N ATOM 727 NH2 ARG A 48 -1.170 -18.471 -14.081 1.00 1.03 N ATOM 0 H ARG A 48 2.679 -12.889 -11.617 1.00 62.32 H new ATOM 0 HA ARG A 48 2.858 -14.835 -9.405 1.00 73.13 H new ATOM 0 HB2 ARG A 48 1.813 -15.237 -12.213 1.00 72.52 H new ATOM 0 HB3 ARG A 48 2.619 -16.554 -11.383 1.00 72.52 H new ATOM 0 HG2 ARG A 48 0.907 -15.929 -9.432 1.00 54.21 H new ATOM 0 HG3 ARG A 48 -0.008 -15.238 -10.758 1.00 54.21 H new ATOM 0 HD2 ARG A 48 1.065 -18.084 -10.781 1.00 51.34 H new ATOM 0 HD3 ARG A 48 -0.534 -17.668 -10.198 1.00 51.34 H new ATOM 0 HE ARG A 48 -0.255 -16.544 -12.799 1.00 73.32 H new ATOM 0 HH11 ARG A 48 -0.398 -19.690 -11.202 1.00 74.12 H new ATOM 0 HH12 ARG A 48 -1.100 -20.500 -12.606 1.00 74.12 H new ATOM 0 HH21 ARG A 48 -1.156 -17.593 -14.600 1.00 1.03 H new ATOM 0 HH22 ARG A 48 -1.527 -19.318 -14.522 1.00 1.03 H new ATOM 741 N CYS A 49 5.240 -15.119 -9.965 1.00 75.43 N ATOM 742 CA CYS A 49 6.659 -15.287 -10.251 1.00 61.54 C ATOM 743 C CYS A 49 7.107 -16.717 -9.960 1.00 3.33 C ATOM 744 O CYS A 49 6.720 -17.306 -8.951 1.00 24.55 O ATOM 745 CB CYS A 49 7.488 -14.303 -9.424 1.00 14.30 C ATOM 746 SG CYS A 49 9.283 -14.605 -9.487 1.00 31.34 S ATOM 0 H CYS A 49 4.983 -15.288 -8.993 1.00 75.43 H new ATOM 0 HA CYS A 49 6.817 -15.084 -11.310 1.00 61.54 H new ATOM 0 HB2 CYS A 49 7.288 -13.291 -9.776 1.00 14.30 H new ATOM 0 HB3 CYS A 49 7.159 -14.350 -8.386 1.00 14.30 H new ATOM 751 N PHE A 50 7.926 -17.268 -10.850 1.00 55.32 N ATOM 752 CA PHE A 50 8.426 -18.628 -10.689 1.00 43.24 C ATOM 753 C PHE A 50 9.951 -18.643 -10.634 1.00 1.10 C ATOM 754 O PHE A 50 10.613 -17.807 -11.249 1.00 34.23 O ATOM 755 CB PHE A 50 7.938 -19.513 -11.838 1.00 14.11 C ATOM 756 CG PHE A 50 6.468 -19.816 -11.778 1.00 12.24 C ATOM 757 CD1 PHE A 50 5.881 -20.235 -10.595 1.00 23.55 C ATOM 758 CD2 PHE A 50 5.673 -19.681 -12.904 1.00 74.54 C ATOM 759 CE1 PHE A 50 4.529 -20.515 -10.536 1.00 11.35 C ATOM 760 CE2 PHE A 50 4.320 -19.959 -12.851 1.00 53.13 C ATOM 761 CZ PHE A 50 3.747 -20.377 -11.666 1.00 23.22 C ATOM 0 H PHE A 50 8.257 -16.793 -11.690 1.00 55.32 H new ATOM 0 HA PHE A 50 8.041 -19.021 -9.748 1.00 43.24 H new ATOM 0 HB2 PHE A 50 8.161 -19.021 -12.785 1.00 14.11 H new ATOM 0 HB3 PHE A 50 8.495 -20.450 -11.826 1.00 14.11 H new ATOM 0 HD1 PHE A 50 6.487 -20.344 -9.708 1.00 23.55 H new ATOM 0 HD2 PHE A 50 6.115 -19.355 -13.834 1.00 74.54 H new ATOM 0 HE1 PHE A 50 4.084 -20.841 -9.607 1.00 11.35 H new ATOM 0 HE2 PHE A 50 3.711 -19.849 -13.736 1.00 53.13 H new ATOM 0 HZ PHE A 50 2.690 -20.595 -11.623 1.00 23.22 H new ATOM 771 N GLU A 51 10.501 -19.599 -9.892 1.00 71.31 N ATOM 772 CA GLU A 51 11.947 -19.722 -9.755 1.00 64.31 C ATOM 773 C GLU A 51 12.594 -20.063 -11.095 1.00 12.51 C ATOM 774 O GLU A 51 11.937 -20.574 -12.002 1.00 64.55 O ATOM 775 CB GLU A 51 12.295 -20.796 -8.722 1.00 13.14 C ATOM 776 CG GLU A 51 12.423 -20.259 -7.306 1.00 64.10 C ATOM 777 CD GLU A 51 11.357 -19.234 -6.972 1.00 5.42 C ATOM 778 OE1 GLU A 51 10.161 -19.536 -7.164 1.00 23.24 O ATOM 779 OE2 GLU A 51 11.720 -18.128 -6.518 1.00 23.11 O ATOM 0 H GLU A 51 9.967 -20.299 -9.377 1.00 71.31 H new ATOM 0 HA GLU A 51 12.336 -18.762 -9.416 1.00 64.31 H new ATOM 0 HB2 GLU A 51 11.526 -21.569 -8.741 1.00 13.14 H new ATOM 0 HB3 GLU A 51 13.233 -21.272 -9.007 1.00 13.14 H new ATOM 0 HG2 GLU A 51 12.359 -21.087 -6.600 1.00 64.10 H new ATOM 0 HG3 GLU A 51 13.407 -19.808 -7.180 1.00 64.10 H new ATOM 786 N THR A 52 13.886 -19.774 -11.212 1.00 43.32 N ATOM 787 CA THR A 52 14.622 -20.047 -12.440 1.00 40.33 C ATOM 788 C THR A 52 14.915 -21.536 -12.587 1.00 15.54 C ATOM 789 O THR A 52 15.504 -22.153 -11.700 1.00 4.23 O ATOM 790 CB THR A 52 15.950 -19.267 -12.485 1.00 30.45 C ATOM 791 OG1 THR A 52 16.437 -19.053 -11.155 1.00 55.40 O ATOM 792 CG2 THR A 52 15.769 -17.930 -13.186 1.00 43.22 C ATOM 0 H THR A 52 14.445 -19.351 -10.471 1.00 43.32 H new ATOM 0 HA THR A 52 13.990 -19.721 -13.266 1.00 40.33 H new ATOM 0 HB THR A 52 16.674 -19.857 -13.046 1.00 30.45 H new ATOM 0 HG1 THR A 52 17.134 -19.712 -10.952 1.00 55.40 H new ATOM 0 HG21 THR A 52 16.720 -17.398 -13.205 1.00 43.22 H new ATOM 0 HG22 THR A 52 15.426 -18.098 -14.207 1.00 43.22 H new ATOM 0 HG23 THR A 52 15.031 -17.335 -12.649 1.00 43.22 H new ATOM 800 N VAL A 53 14.499 -22.108 -13.712 1.00 40.22 N ATOM 801 CA VAL A 53 14.718 -23.525 -13.976 1.00 3.14 C ATOM 802 C VAL A 53 15.867 -23.730 -14.957 1.00 22.25 C ATOM 803 O VAL A 53 16.063 -22.934 -15.875 1.00 11.10 O ATOM 804 CB VAL A 53 13.451 -24.194 -14.539 1.00 54.24 C ATOM 805 CG1 VAL A 53 13.108 -23.621 -15.906 1.00 74.43 C ATOM 806 CG2 VAL A 53 13.633 -25.702 -14.614 1.00 60.14 C ATOM 0 H VAL A 53 14.008 -21.612 -14.456 1.00 40.22 H new ATOM 0 HA VAL A 53 14.971 -23.989 -13.023 1.00 3.14 H new ATOM 0 HB VAL A 53 12.620 -23.985 -13.865 1.00 54.24 H new ATOM 0 HG11 VAL A 53 12.210 -24.106 -16.289 1.00 74.43 H new ATOM 0 HG12 VAL A 53 12.932 -22.549 -15.817 1.00 74.43 H new ATOM 0 HG13 VAL A 53 13.936 -23.797 -16.593 1.00 74.43 H new ATOM 0 HG21 VAL A 53 12.728 -26.158 -15.014 1.00 60.14 H new ATOM 0 HG22 VAL A 53 14.475 -25.935 -15.266 1.00 60.14 H new ATOM 0 HG23 VAL A 53 13.827 -26.095 -13.616 1.00 60.14 H new ATOM 816 N TYR A 54 16.624 -24.803 -14.756 1.00 61.21 N ATOM 817 CA TYR A 54 17.756 -25.113 -15.622 1.00 14.10 C ATOM 818 C TYR A 54 18.144 -26.584 -15.506 1.00 11.31 C ATOM 819 O TYR A 54 17.815 -27.249 -14.523 1.00 52.44 O ATOM 820 CB TYR A 54 18.952 -24.229 -15.268 1.00 45.52 C ATOM 821 CG TYR A 54 19.001 -23.830 -13.810 1.00 51.15 C ATOM 822 CD1 TYR A 54 19.051 -24.791 -12.809 1.00 35.35 C ATOM 823 CD2 TYR A 54 18.996 -22.492 -13.435 1.00 30.30 C ATOM 824 CE1 TYR A 54 19.094 -24.432 -11.475 1.00 42.03 C ATOM 825 CE2 TYR A 54 19.041 -22.124 -12.104 1.00 51.34 C ATOM 826 CZ TYR A 54 19.090 -23.097 -11.128 1.00 73.13 C ATOM 827 OH TYR A 54 19.133 -22.734 -9.802 1.00 21.03 O ATOM 0 H TYR A 54 16.474 -25.473 -14.001 1.00 61.21 H new ATOM 0 HA TYR A 54 17.458 -24.915 -16.652 1.00 14.10 H new ATOM 0 HB2 TYR A 54 19.871 -24.757 -15.522 1.00 45.52 H new ATOM 0 HB3 TYR A 54 18.921 -23.329 -15.881 1.00 45.52 H new ATOM 0 HD1 TYR A 54 19.056 -25.837 -13.077 1.00 35.35 H new ATOM 0 HD2 TYR A 54 18.956 -21.727 -14.196 1.00 30.30 H new ATOM 0 HE1 TYR A 54 19.131 -25.192 -10.709 1.00 42.03 H new ATOM 0 HE2 TYR A 54 19.038 -21.080 -11.829 1.00 51.34 H new ATOM 0 HH TYR A 54 19.125 -21.757 -9.730 1.00 21.03 H new ATOM 837 N ASP A 55 18.846 -27.085 -16.516 1.00 43.41 N ATOM 838 CA ASP A 55 19.282 -28.476 -16.528 1.00 61.24 C ATOM 839 C ASP A 55 20.355 -28.700 -17.589 1.00 62.23 C ATOM 840 O ASP A 55 20.066 -29.164 -18.692 1.00 13.45 O ATOM 841 CB ASP A 55 18.093 -29.403 -16.785 1.00 32.14 C ATOM 842 CG ASP A 55 17.245 -28.947 -17.956 1.00 11.24 C ATOM 843 OD1 ASP A 55 16.409 -28.040 -17.764 1.00 53.40 O ATOM 844 OD2 ASP A 55 17.417 -29.498 -19.063 1.00 52.54 O ATOM 0 H ASP A 55 19.125 -26.548 -17.337 1.00 43.41 H new ATOM 0 HA ASP A 55 19.708 -28.706 -15.551 1.00 61.24 H new ATOM 0 HB2 ASP A 55 18.458 -30.412 -16.976 1.00 32.14 H new ATOM 0 HB3 ASP A 55 17.474 -29.452 -15.889 1.00 32.14 H new ATOM 849 N GLY A 56 21.596 -28.366 -17.248 1.00 64.44 N ATOM 850 CA GLY A 56 22.694 -28.537 -18.183 1.00 33.14 C ATOM 851 C GLY A 56 24.048 -28.474 -17.504 1.00 72.33 C ATOM 852 O GLY A 56 24.600 -29.501 -17.108 1.00 74.21 O ATOM 0 H GLY A 56 21.861 -27.980 -16.342 1.00 64.44 H new ATOM 0 HA2 GLY A 56 22.589 -29.496 -18.690 1.00 33.14 H new ATOM 0 HA3 GLY A 56 22.639 -27.764 -18.949 1.00 33.14 H new ATOM 856 N TYR A 57 24.585 -27.267 -17.371 1.00 45.04 N ATOM 857 CA TYR A 57 25.886 -27.075 -16.740 1.00 53.31 C ATOM 858 C TYR A 57 25.845 -25.913 -15.753 1.00 2.55 C ATOM 859 O TYR A 57 25.807 -26.115 -14.539 1.00 62.40 O ATOM 860 CB TYR A 57 26.958 -26.820 -17.801 1.00 23.35 C ATOM 861 CG TYR A 57 27.301 -28.044 -18.620 1.00 45.53 C ATOM 862 CD1 TYR A 57 26.503 -28.434 -19.689 1.00 23.14 C ATOM 863 CD2 TYR A 57 28.423 -28.809 -18.326 1.00 72.23 C ATOM 864 CE1 TYR A 57 26.812 -29.551 -20.440 1.00 64.41 C ATOM 865 CE2 TYR A 57 28.740 -29.927 -19.073 1.00 64.02 C ATOM 866 CZ TYR A 57 27.932 -30.294 -20.129 1.00 21.22 C ATOM 867 OH TYR A 57 28.244 -31.408 -20.874 1.00 43.13 O ATOM 0 H TYR A 57 24.140 -26.407 -17.691 1.00 45.04 H new ATOM 0 HA TYR A 57 26.135 -27.985 -16.193 1.00 53.31 H new ATOM 0 HB2 TYR A 57 26.615 -26.030 -18.469 1.00 23.35 H new ATOM 0 HB3 TYR A 57 27.861 -26.455 -17.313 1.00 23.35 H new ATOM 0 HD1 TYR A 57 25.626 -27.854 -19.937 1.00 23.14 H new ATOM 0 HD2 TYR A 57 29.058 -28.525 -17.500 1.00 72.23 H new ATOM 0 HE1 TYR A 57 26.180 -29.841 -21.266 1.00 64.41 H new ATOM 0 HE2 TYR A 57 29.616 -30.511 -18.831 1.00 64.02 H new ATOM 0 HH TYR A 57 29.063 -31.816 -20.524 1.00 43.13 H new ATOM 877 N SER A 58 25.853 -24.694 -16.283 1.00 1.44 N ATOM 878 CA SER A 58 25.820 -23.497 -15.449 1.00 65.42 C ATOM 879 C SER A 58 24.425 -23.274 -14.874 1.00 23.13 C ATOM 880 O SER A 58 23.568 -22.663 -15.512 1.00 34.41 O ATOM 881 CB SER A 58 26.252 -22.274 -16.260 1.00 1.35 C ATOM 882 OG SER A 58 27.487 -22.506 -16.915 1.00 53.22 O ATOM 0 H SER A 58 25.882 -24.509 -17.286 1.00 1.44 H new ATOM 0 HA SER A 58 26.516 -23.640 -14.622 1.00 65.42 H new ATOM 0 HB2 SER A 58 25.486 -22.033 -16.997 1.00 1.35 H new ATOM 0 HB3 SER A 58 26.343 -21.411 -15.601 1.00 1.35 H new ATOM 0 HG SER A 58 27.740 -21.710 -17.428 1.00 53.22 H new ATOM 888 N LYS A 59 24.205 -23.774 -13.662 1.00 51.24 N ATOM 889 CA LYS A 59 22.915 -23.629 -12.998 1.00 23.44 C ATOM 890 C LYS A 59 22.916 -22.423 -12.065 1.00 1.52 C ATOM 891 O LYS A 59 21.874 -22.032 -11.538 1.00 51.30 O ATOM 892 CB LYS A 59 22.580 -24.897 -12.208 1.00 64.14 C ATOM 893 CG LYS A 59 22.254 -26.092 -13.087 1.00 71.21 C ATOM 894 CD LYS A 59 22.050 -27.352 -12.262 1.00 43.11 C ATOM 895 CE LYS A 59 23.375 -27.924 -11.783 1.00 24.44 C ATOM 896 NZ LYS A 59 23.185 -29.159 -10.972 1.00 63.23 N ATOM 0 H LYS A 59 24.903 -24.283 -13.120 1.00 51.24 H new ATOM 0 HA LYS A 59 22.156 -23.473 -13.764 1.00 23.44 H new ATOM 0 HB2 LYS A 59 23.424 -25.148 -11.566 1.00 64.14 H new ATOM 0 HB3 LYS A 59 21.731 -24.695 -11.555 1.00 64.14 H new ATOM 0 HG2 LYS A 59 21.353 -25.885 -13.665 1.00 71.21 H new ATOM 0 HG3 LYS A 59 23.062 -26.251 -13.801 1.00 71.21 H new ATOM 0 HD2 LYS A 59 21.417 -27.128 -11.403 1.00 43.11 H new ATOM 0 HD3 LYS A 59 21.525 -28.098 -12.859 1.00 43.11 H new ATOM 0 HE2 LYS A 59 24.006 -28.148 -12.643 1.00 24.44 H new ATOM 0 HE3 LYS A 59 23.900 -27.176 -11.188 1.00 24.44 H new ATOM 0 HZ1 LYS A 59 24.111 -29.518 -10.664 1.00 63.23 H new ATOM 0 HZ2 LYS A 59 22.604 -28.940 -10.138 1.00 63.23 H new ATOM 0 HZ3 LYS A 59 22.707 -29.882 -11.547 1.00 63.23 H new ATOM 910 N HIS A 60 24.092 -21.835 -11.866 1.00 13.22 N ATOM 911 CA HIS A 60 24.227 -20.670 -10.998 1.00 21.41 C ATOM 912 C HIS A 60 24.460 -19.405 -11.818 1.00 62.44 C ATOM 913 O HIS A 60 25.101 -18.463 -11.355 1.00 4.21 O ATOM 914 CB HIS A 60 25.379 -20.873 -10.013 1.00 62.13 C ATOM 915 CG HIS A 60 26.677 -21.222 -10.674 1.00 3.22 C ATOM 916 ND1 HIS A 60 27.087 -22.521 -10.890 1.00 54.32 N ATOM 917 CD2 HIS A 60 27.659 -20.432 -11.168 1.00 62.23 C ATOM 918 CE1 HIS A 60 28.265 -22.515 -11.488 1.00 11.04 C ATOM 919 NE2 HIS A 60 28.634 -21.260 -11.668 1.00 44.21 N ATOM 0 H HIS A 60 24.964 -22.146 -12.294 1.00 13.22 H new ATOM 0 HA HIS A 60 23.298 -20.554 -10.440 1.00 21.41 H new ATOM 0 HB2 HIS A 60 25.511 -19.962 -9.429 1.00 62.13 H new ATOM 0 HB3 HIS A 60 25.113 -21.665 -9.313 1.00 62.13 H new ATOM 0 HD2 HIS A 60 27.673 -19.352 -11.169 1.00 62.23 H new ATOM 0 HE1 HIS A 60 28.830 -23.388 -11.780 1.00 11.04 H new ATOM 0 HE2 HIS A 60 29.503 -20.955 -12.107 1.00 44.21 H new ATOM 927 N ALA A 61 23.936 -19.393 -13.039 1.00 53.14 N ATOM 928 CA ALA A 61 24.086 -18.244 -13.924 1.00 14.35 C ATOM 929 C ALA A 61 22.977 -17.223 -13.690 1.00 74.45 C ATOM 930 O ALA A 61 23.136 -16.040 -13.989 1.00 40.03 O ATOM 931 CB ALA A 61 24.095 -18.694 -15.377 1.00 14.40 C ATOM 0 H ALA A 61 23.404 -20.166 -13.438 1.00 53.14 H new ATOM 0 HA ALA A 61 25.039 -17.765 -13.699 1.00 14.35 H new ATOM 0 HB1 ALA A 61 24.208 -17.826 -16.026 1.00 14.40 H new ATOM 0 HB2 ALA A 61 24.927 -19.380 -15.540 1.00 14.40 H new ATOM 0 HB3 ALA A 61 23.157 -19.200 -15.607 1.00 14.40 H new ATOM 937 N SER A 62 21.853 -17.690 -13.156 1.00 14.32 N ATOM 938 CA SER A 62 20.715 -16.818 -12.887 1.00 31.00 C ATOM 939 C SER A 62 19.827 -17.405 -11.794 1.00 70.20 C ATOM 940 O SER A 62 19.502 -18.593 -11.812 1.00 41.00 O ATOM 941 CB SER A 62 19.898 -16.602 -14.162 1.00 61.34 C ATOM 942 OG SER A 62 19.687 -17.826 -14.846 1.00 12.33 O ATOM 0 H SER A 62 21.706 -18.667 -12.901 1.00 14.32 H new ATOM 0 HA SER A 62 21.099 -15.858 -12.543 1.00 31.00 H new ATOM 0 HB2 SER A 62 18.938 -16.152 -13.910 1.00 61.34 H new ATOM 0 HB3 SER A 62 20.417 -15.901 -14.816 1.00 61.34 H new ATOM 0 HG SER A 62 19.161 -17.661 -15.656 1.00 12.33 H new ATOM 948 N THR A 63 19.437 -16.564 -10.841 1.00 52.35 N ATOM 949 CA THR A 63 18.588 -16.998 -9.739 1.00 52.42 C ATOM 950 C THR A 63 17.414 -16.045 -9.541 1.00 61.14 C ATOM 951 O THR A 63 17.575 -14.946 -9.009 1.00 70.31 O ATOM 952 CB THR A 63 19.382 -17.096 -8.423 1.00 41.41 C ATOM 953 OG1 THR A 63 20.660 -17.695 -8.666 1.00 11.34 O ATOM 954 CG2 THR A 63 18.621 -17.913 -7.391 1.00 75.51 C ATOM 0 H THR A 63 19.696 -15.578 -10.811 1.00 52.35 H new ATOM 0 HA THR A 63 18.210 -17.986 -10.001 1.00 52.42 H new ATOM 0 HB THR A 63 19.522 -16.088 -8.033 1.00 41.41 H new ATOM 0 HG1 THR A 63 21.094 -17.899 -7.811 1.00 11.34 H new ATOM 0 HG21 THR A 63 19.202 -17.968 -6.470 1.00 75.51 H new ATOM 0 HG22 THR A 63 17.661 -17.438 -7.187 1.00 75.51 H new ATOM 0 HG23 THR A 63 18.454 -18.919 -7.775 1.00 75.51 H new ATOM 962 N THR A 64 16.231 -16.473 -9.973 1.00 5.12 N ATOM 963 CA THR A 64 15.030 -15.658 -9.843 1.00 43.24 C ATOM 964 C THR A 64 14.267 -16.002 -8.570 1.00 10.25 C ATOM 965 O THR A 64 13.677 -17.076 -8.459 1.00 71.41 O ATOM 966 CB THR A 64 14.095 -15.840 -11.054 1.00 10.43 C ATOM 967 OG1 THR A 64 14.747 -15.395 -12.248 1.00 45.12 O ATOM 968 CG2 THR A 64 12.800 -15.065 -10.858 1.00 45.24 C ATOM 0 H THR A 64 16.080 -17.379 -10.416 1.00 5.12 H new ATOM 0 HA THR A 64 15.356 -14.619 -9.797 1.00 43.24 H new ATOM 0 HB THR A 64 13.856 -16.900 -11.145 1.00 10.43 H new ATOM 0 HG1 THR A 64 14.193 -15.618 -13.025 1.00 45.12 H new ATOM 0 HG21 THR A 64 12.155 -15.208 -11.725 1.00 45.24 H new ATOM 0 HG22 THR A 64 12.291 -15.426 -9.964 1.00 45.24 H new ATOM 0 HG23 THR A 64 13.024 -14.004 -10.744 1.00 45.24 H new ATOM 976 N SER A 65 14.282 -15.082 -7.610 1.00 30.54 N ATOM 977 CA SER A 65 13.593 -15.290 -6.341 1.00 62.33 C ATOM 978 C SER A 65 12.208 -14.650 -6.364 1.00 24.41 C ATOM 979 O SER A 65 12.003 -13.609 -6.988 1.00 10.34 O ATOM 980 CB SER A 65 14.416 -14.711 -5.189 1.00 22.51 C ATOM 981 OG SER A 65 13.906 -15.132 -3.936 1.00 34.33 O ATOM 0 H SER A 65 14.763 -14.186 -7.687 1.00 30.54 H new ATOM 0 HA SER A 65 13.476 -16.363 -6.191 1.00 62.33 H new ATOM 0 HB2 SER A 65 15.455 -15.025 -5.286 1.00 22.51 H new ATOM 0 HB3 SER A 65 14.406 -13.622 -5.242 1.00 22.51 H new ATOM 0 HG SER A 65 14.450 -14.750 -3.216 1.00 34.33 H new ATOM 987 N CYS A 66 11.261 -15.282 -5.679 1.00 13.41 N ATOM 988 CA CYS A 66 9.894 -14.776 -5.619 1.00 64.32 C ATOM 989 C CYS A 66 9.354 -14.837 -4.194 1.00 33.44 C ATOM 990 O CYS A 66 9.614 -15.791 -3.459 1.00 42.12 O ATOM 991 CB CYS A 66 8.990 -15.581 -6.554 1.00 54.15 C ATOM 992 SG CYS A 66 9.754 -15.992 -8.156 1.00 72.41 S ATOM 0 H CYS A 66 11.415 -16.145 -5.158 1.00 13.41 H new ATOM 0 HA CYS A 66 9.903 -13.735 -5.941 1.00 64.32 H new ATOM 0 HB2 CYS A 66 8.700 -16.505 -6.054 1.00 54.15 H new ATOM 0 HB3 CYS A 66 8.076 -15.015 -6.734 1.00 54.15 H new ATOM 997 N CYS A 67 8.599 -13.814 -3.809 1.00 3.44 N ATOM 998 CA CYS A 67 8.021 -13.749 -2.472 1.00 22.13 C ATOM 999 C CYS A 67 6.690 -13.003 -2.490 1.00 71.51 C ATOM 1000 O CYS A 67 6.240 -12.544 -3.539 1.00 53.03 O ATOM 1001 CB CYS A 67 8.990 -13.062 -1.507 1.00 52.01 C ATOM 1002 SG CYS A 67 10.001 -11.755 -2.274 1.00 62.42 S ATOM 0 H CYS A 67 8.373 -13.018 -4.405 1.00 3.44 H new ATOM 0 HA CYS A 67 7.841 -14.769 -2.132 1.00 22.13 H new ATOM 0 HB2 CYS A 67 8.421 -12.630 -0.684 1.00 52.01 H new ATOM 0 HB3 CYS A 67 9.652 -13.814 -1.077 1.00 52.01 H new ATOM 1007 N GLN A 68 6.067 -12.888 -1.322 1.00 55.00 N ATOM 1008 CA GLN A 68 4.787 -12.199 -1.204 1.00 40.34 C ATOM 1009 C GLN A 68 4.786 -11.253 -0.008 1.00 43.42 C ATOM 1010 O GLN A 68 3.749 -10.700 0.358 1.00 11.30 O ATOM 1011 CB GLN A 68 3.649 -13.212 -1.069 1.00 53.43 C ATOM 1012 CG GLN A 68 2.283 -12.641 -1.415 1.00 34.15 C ATOM 1013 CD GLN A 68 1.163 -13.291 -0.626 1.00 54.20 C ATOM 1014 OE1 GLN A 68 0.952 -14.501 -0.707 1.00 30.31 O ATOM 1015 NE2 GLN A 68 0.437 -12.488 0.143 1.00 14.20 N ATOM 0 H GLN A 68 6.427 -13.263 -0.444 1.00 55.00 H new ATOM 0 HA GLN A 68 4.635 -11.611 -2.109 1.00 40.34 H new ATOM 0 HB2 GLN A 68 3.853 -14.064 -1.718 1.00 53.43 H new ATOM 0 HB3 GLN A 68 3.628 -13.588 -0.046 1.00 53.43 H new ATOM 0 HG2 GLN A 68 2.283 -11.568 -1.223 1.00 34.15 H new ATOM 0 HG3 GLN A 68 2.097 -12.774 -2.481 1.00 34.15 H new ATOM 0 HE21 GLN A 68 0.647 -11.491 0.180 1.00 14.20 H new ATOM 0 HE22 GLN A 68 -0.330 -12.869 0.697 1.00 14.20 H new ATOM 1024 N TYR A 69 5.955 -11.071 0.597 1.00 72.31 N ATOM 1025 CA TYR A 69 6.088 -10.194 1.754 1.00 64.21 C ATOM 1026 C TYR A 69 6.560 -8.806 1.333 1.00 4.33 C ATOM 1027 O TYR A 69 7.319 -8.660 0.374 1.00 12.55 O ATOM 1028 CB TYR A 69 7.068 -10.794 2.764 1.00 11.43 C ATOM 1029 CG TYR A 69 7.523 -9.813 3.822 1.00 74.22 C ATOM 1030 CD1 TYR A 69 6.616 -9.248 4.709 1.00 14.32 C ATOM 1031 CD2 TYR A 69 8.860 -9.453 3.934 1.00 61.31 C ATOM 1032 CE1 TYR A 69 7.027 -8.351 5.676 1.00 33.03 C ATOM 1033 CE2 TYR A 69 9.280 -8.558 4.899 1.00 65.52 C ATOM 1034 CZ TYR A 69 8.360 -8.010 5.767 1.00 1.23 C ATOM 1035 OH TYR A 69 8.774 -7.118 6.730 1.00 12.01 O ATOM 0 H TYR A 69 6.824 -11.519 0.305 1.00 72.31 H new ATOM 0 HA TYR A 69 5.108 -10.098 2.221 1.00 64.21 H new ATOM 0 HB2 TYR A 69 6.598 -11.648 3.251 1.00 11.43 H new ATOM 0 HB3 TYR A 69 7.941 -11.171 2.231 1.00 11.43 H new ATOM 0 HD1 TYR A 69 5.572 -9.514 4.642 1.00 14.32 H new ATOM 0 HD2 TYR A 69 9.583 -9.880 3.255 1.00 61.31 H new ATOM 0 HE1 TYR A 69 6.308 -7.919 6.357 1.00 33.03 H new ATOM 0 HE2 TYR A 69 10.323 -8.289 4.973 1.00 65.52 H new ATOM 0 HH TYR A 69 9.743 -6.987 6.660 1.00 12.01 H new ATOM 1045 N ASP A 70 6.107 -7.789 2.058 1.00 35.20 N ATOM 1046 CA ASP A 70 6.483 -6.411 1.763 1.00 74.53 C ATOM 1047 C ASP A 70 7.995 -6.232 1.844 1.00 44.11 C ATOM 1048 O ASP A 70 8.635 -6.687 2.793 1.00 3.51 O ATOM 1049 CB ASP A 70 5.790 -5.452 2.732 1.00 30.30 C ATOM 1050 CG ASP A 70 4.282 -5.464 2.579 1.00 13.31 C ATOM 1051 OD1 ASP A 70 3.782 -4.906 1.579 1.00 22.31 O ATOM 1052 OD2 ASP A 70 3.601 -6.031 3.459 1.00 51.22 O ATOM 0 H ASP A 70 5.479 -7.893 2.855 1.00 35.20 H new ATOM 0 HA ASP A 70 6.162 -6.182 0.747 1.00 74.53 H new ATOM 0 HB2 ASP A 70 6.051 -5.723 3.755 1.00 30.30 H new ATOM 0 HB3 ASP A 70 6.161 -4.441 2.565 1.00 30.30 H new ATOM 1057 N LEU A 71 8.562 -5.568 0.842 1.00 15.45 N ATOM 1058 CA LEU A 71 10.000 -5.328 0.799 1.00 30.54 C ATOM 1059 C LEU A 71 10.774 -6.617 1.057 1.00 62.21 C ATOM 1060 O LEU A 71 11.861 -6.596 1.635 1.00 64.23 O ATOM 1061 CB LEU A 71 10.392 -4.270 1.832 1.00 50.34 C ATOM 1062 CG LEU A 71 9.648 -2.937 1.742 1.00 73.01 C ATOM 1063 CD1 LEU A 71 10.288 -1.905 2.657 1.00 21.35 C ATOM 1064 CD2 LEU A 71 9.623 -2.436 0.305 1.00 12.44 C ATOM 0 H LEU A 71 8.047 -5.186 0.048 1.00 15.45 H new ATOM 0 HA LEU A 71 10.253 -4.966 -0.197 1.00 30.54 H new ATOM 0 HB2 LEU A 71 10.233 -4.686 2.827 1.00 50.34 H new ATOM 0 HB3 LEU A 71 11.460 -4.075 1.735 1.00 50.34 H new ATOM 0 HG LEU A 71 8.620 -3.094 2.069 1.00 73.01 H new ATOM 0 HD11 LEU A 71 9.745 -0.963 2.579 1.00 21.35 H new ATOM 0 HD12 LEU A 71 10.253 -2.260 3.687 1.00 21.35 H new ATOM 0 HD13 LEU A 71 11.326 -1.751 2.362 1.00 21.35 H new ATOM 0 HD21 LEU A 71 9.090 -1.487 0.260 1.00 12.44 H new ATOM 0 HD22 LEU A 71 10.644 -2.296 -0.049 1.00 12.44 H new ATOM 0 HD23 LEU A 71 9.117 -3.167 -0.326 1.00 12.44 H new ATOM 1076 N CYS A 72 10.208 -7.738 0.623 1.00 61.23 N ATOM 1077 CA CYS A 72 10.845 -9.037 0.804 1.00 72.11 C ATOM 1078 C CYS A 72 12.140 -9.125 0.002 1.00 51.35 C ATOM 1079 O CYS A 72 13.074 -9.827 0.386 1.00 0.43 O ATOM 1080 CB CYS A 72 9.893 -10.158 0.382 1.00 64.35 C ATOM 1081 SG CYS A 72 9.405 -10.098 -1.372 1.00 40.45 S ATOM 0 H CYS A 72 9.309 -7.773 0.143 1.00 61.23 H new ATOM 0 HA CYS A 72 11.085 -9.152 1.861 1.00 72.11 H new ATOM 0 HB2 CYS A 72 10.368 -11.118 0.583 1.00 64.35 H new ATOM 0 HB3 CYS A 72 8.996 -10.110 0.999 1.00 64.35 H new ATOM 1086 N ASN A 73 12.187 -8.406 -1.116 1.00 30.33 N ATOM 1087 CA ASN A 73 13.367 -8.403 -1.973 1.00 11.21 C ATOM 1088 C ASN A 73 14.289 -7.239 -1.624 1.00 3.30 C ATOM 1089 O ASN A 73 15.058 -6.769 -2.462 1.00 71.20 O ATOM 1090 CB ASN A 73 12.954 -8.318 -3.444 1.00 0.33 C ATOM 1091 CG ASN A 73 12.245 -7.018 -3.771 1.00 45.51 C ATOM 1092 OD1 ASN A 73 11.904 -6.242 -2.878 1.00 44.32 O ATOM 1093 ND2 ASN A 73 12.021 -6.774 -5.057 1.00 74.01 N ATOM 0 H ASN A 73 11.422 -7.819 -1.449 1.00 30.33 H new ATOM 0 HA ASN A 73 13.908 -9.335 -1.808 1.00 11.21 H new ATOM 0 HB2 ASN A 73 13.839 -8.414 -4.073 1.00 0.33 H new ATOM 0 HB3 ASN A 73 12.300 -9.156 -3.684 1.00 0.33 H new ATOM 0 HD21 ASN A 73 11.549 -5.915 -5.338 1.00 74.01 H new ATOM 0 HD22 ASN A 73 12.321 -7.446 -5.763 1.00 74.01 H new ATOM 1100 N GLY A 74 14.207 -6.778 -0.379 1.00 41.14 N ATOM 1101 CA GLY A 74 15.040 -5.673 0.059 1.00 32.21 C ATOM 1102 C GLY A 74 16.441 -6.116 0.432 1.00 50.45 C ATOM 1103 O GLY A 74 16.692 -6.512 1.570 1.00 51.05 O ATOM 0 H GLY A 74 13.579 -7.150 0.333 1.00 41.14 H new ATOM 0 HA2 GLY A 74 15.097 -4.928 -0.735 1.00 32.21 H new ATOM 0 HA3 GLY A 74 14.574 -5.189 0.918 1.00 32.21 H new TER 1107 GLY A 74