USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 70 TYR OH : rot 150:sc= -0.562 USER MOD Set 1.2: A 85 SER OG : rot 88:sc= -0.34! USER MOD Single : A 3 THR OG1 : rot 1:sc= 0.775 USER MOD Single : A 11 SER OG : rot 112:sc= -0.383 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 86:sc= -3.6! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -5:sc= -3.52! USER MOD Single : A 37 SER OG : rot 41:sc= -0.212! USER MOD Single : A 40 MET CE :methyl -179:sc= -0.052 (180deg=-0.0576) USER MOD Single : A 41 MET CE :methyl 163:sc=-0.00607 (180deg=-0.149) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.32 (180deg=-0.533) USER MOD Single : A 44 ASN : amide:sc= -2.78! C(o=-2.8!,f=-0.95!) USER MOD Single : A 46 MET CE :methyl 170:sc= 0 (180deg=-0.0184) USER MOD Single : A 52 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -8.19! C(o=-8.2!,f=-9.1!) USER MOD Single : A 66 THR OG1 : rot -33:sc= 0.36 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 79 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 81 SER OG : rot -80:sc= -2.68! USER MOD Single : A 83 ASN : amide:sc= -0.855 K(o=-0.86,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -9.633 25.371 -14.262 1.00 0.00 N ATOM 2 CA THR A 3 -8.765 25.563 -13.108 1.00 0.00 C ATOM 3 C THR A 3 -7.507 24.708 -13.218 1.00 0.00 C ATOM 4 O THR A 3 -7.268 24.065 -14.242 1.00 0.00 O ATOM 5 CB THR A 3 -9.490 25.218 -11.795 1.00 0.00 C ATOM 6 OG1 THR A 3 -10.848 24.850 -12.066 1.00 0.00 O ATOM 7 CG2 THR A 3 -9.462 26.398 -10.835 1.00 0.00 C ATOM 0 HA THR A 3 -8.487 26.617 -13.095 1.00 0.00 H new ATOM 0 HB THR A 3 -8.972 24.379 -11.330 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.009 24.881 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.980 26.130 -9.914 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.428 26.657 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.957 27.253 -11.295 1.00 0.00 H new ATOM 15 N ASP A 4 -6.706 24.705 -12.159 1.00 0.00 N ATOM 16 CA ASP A 4 -5.472 23.929 -12.134 1.00 0.00 C ATOM 17 C ASP A 4 -4.596 24.339 -10.955 1.00 0.00 C ATOM 18 O ASP A 4 -3.776 25.251 -11.065 1.00 0.00 O ATOM 19 CB ASP A 4 -4.703 24.112 -13.444 1.00 0.00 C ATOM 20 CG ASP A 4 -3.285 23.584 -13.361 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.987 22.827 -12.413 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.470 23.928 -14.243 1.00 0.00 O ATOM 0 H ASP A 4 -6.889 25.232 -11.305 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.735 22.878 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.232 23.599 -14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.679 25.171 -13.703 1.00 0.00 H new ATOM 27 N ILE A 5 -4.774 23.656 -9.830 1.00 0.00 N ATOM 28 CA ILE A 5 -4.002 23.943 -8.630 1.00 0.00 C ATOM 29 C ILE A 5 -2.723 23.107 -8.607 1.00 0.00 C ATOM 30 O ILE A 5 -2.570 22.176 -9.394 1.00 0.00 O ATOM 31 CB ILE A 5 -4.850 23.682 -7.362 1.00 0.00 C ATOM 32 CG1 ILE A 5 -5.608 24.951 -6.967 1.00 0.00 C ATOM 33 CG2 ILE A 5 -4.001 23.188 -6.196 1.00 0.00 C ATOM 34 CD1 ILE A 5 -6.149 25.725 -8.149 1.00 0.00 C ATOM 0 H ILE A 5 -5.448 22.898 -9.725 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.723 24.997 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.563 22.893 -7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.435 24.681 -6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.944 25.597 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.638 23.018 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.509 22.255 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.247 23.937 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.674 26.612 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.324 26.026 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.839 25.096 -8.711 1.00 0.00 H new ATOM 46 N ASP A 6 -1.808 23.444 -7.706 1.00 0.00 N ATOM 47 CA ASP A 6 -0.548 22.718 -7.594 1.00 0.00 C ATOM 48 C ASP A 6 -0.771 21.317 -7.038 1.00 0.00 C ATOM 49 O ASP A 6 -0.287 20.331 -7.595 1.00 0.00 O ATOM 50 CB ASP A 6 0.432 23.481 -6.701 1.00 0.00 C ATOM 51 CG ASP A 6 1.722 22.717 -6.476 1.00 0.00 C ATOM 52 OD1 ASP A 6 1.656 21.495 -6.228 1.00 0.00 O ATOM 53 OD2 ASP A 6 2.801 23.344 -6.545 1.00 0.00 O ATOM 0 H ASP A 6 -1.914 24.213 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.124 22.630 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.658 24.446 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.039 23.684 -5.739 1.00 0.00 H new ATOM 58 N GLU A 7 -1.499 21.240 -5.932 1.00 0.00 N ATOM 59 CA GLU A 7 -1.786 19.966 -5.286 1.00 0.00 C ATOM 60 C GLU A 7 -0.537 19.412 -4.608 1.00 0.00 C ATOM 61 O GLU A 7 -0.541 19.140 -3.408 1.00 0.00 O ATOM 62 CB GLU A 7 -2.321 18.957 -6.303 1.00 0.00 C ATOM 63 CG GLU A 7 -3.556 19.435 -7.052 1.00 0.00 C ATOM 64 CD GLU A 7 -3.237 19.883 -8.465 1.00 0.00 C ATOM 65 OE1 GLU A 7 -2.094 19.657 -8.915 1.00 0.00 O ATOM 66 OE2 GLU A 7 -4.130 20.459 -9.122 1.00 0.00 O ATOM 0 H GLU A 7 -1.904 22.049 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.548 20.136 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.535 18.731 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.558 18.026 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.291 18.631 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.012 20.261 -6.506 1.00 0.00 H new ATOM 73 N CYS A 8 0.534 19.255 -5.380 1.00 0.00 N ATOM 74 CA CYS A 8 1.787 18.744 -4.844 1.00 0.00 C ATOM 75 C CYS A 8 2.361 19.714 -3.822 1.00 0.00 C ATOM 76 O CYS A 8 3.208 19.350 -3.007 1.00 0.00 O ATOM 77 CB CYS A 8 2.794 18.512 -5.972 1.00 0.00 C ATOM 78 SG CYS A 8 2.367 17.124 -7.071 1.00 0.00 S ATOM 0 H CYS A 8 0.558 19.474 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 8 1.588 17.792 -4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.874 19.422 -6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.776 18.329 -5.537 1.00 0.00 H new ATOM 83 N ARG A 9 1.883 20.953 -3.868 1.00 0.00 N ATOM 84 CA ARG A 9 2.337 21.980 -2.943 1.00 0.00 C ATOM 85 C ARG A 9 1.787 21.720 -1.547 1.00 0.00 C ATOM 86 O ARG A 9 2.446 22.002 -0.546 1.00 0.00 O ATOM 87 CB ARG A 9 1.904 23.365 -3.430 1.00 0.00 C ATOM 88 CG ARG A 9 3.059 24.233 -3.901 1.00 0.00 C ATOM 89 CD ARG A 9 3.724 24.955 -2.741 1.00 0.00 C ATOM 90 NE ARG A 9 4.148 26.303 -3.105 1.00 0.00 N ATOM 91 CZ ARG A 9 4.662 27.172 -2.241 1.00 0.00 C ATOM 92 NH1 ARG A 9 4.816 26.834 -0.969 1.00 0.00 N ATOM 93 NH2 ARG A 9 5.025 28.381 -2.650 1.00 0.00 N ATOM 0 H ARG A 9 1.181 21.269 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 9 3.426 21.948 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.192 23.247 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.381 23.878 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.794 23.614 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.695 24.963 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.031 25.008 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.588 24.382 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 9 4.044 26.595 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.540 25.905 -0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.211 27.503 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.910 28.644 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.419 29.047 -1.986 1.00 0.00 H new ATOM 107 N ILE A 10 0.577 21.169 -1.486 1.00 0.00 N ATOM 108 CA ILE A 10 -0.050 20.859 -0.211 1.00 0.00 C ATOM 109 C ILE A 10 0.973 20.280 0.755 1.00 0.00 C ATOM 110 O ILE A 10 0.929 20.539 1.957 1.00 0.00 O ATOM 111 CB ILE A 10 -1.206 19.854 -0.390 1.00 0.00 C ATOM 112 CG1 ILE A 10 -2.407 20.538 -1.043 1.00 0.00 C ATOM 113 CG2 ILE A 10 -1.598 19.239 0.948 1.00 0.00 C ATOM 114 CD1 ILE A 10 -3.171 21.446 -0.104 1.00 0.00 C ATOM 0 H ILE A 10 0.016 20.930 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.451 21.788 0.195 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.867 19.051 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.063 21.120 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.084 19.775 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.415 18.533 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.741 18.717 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.919 20.026 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.009 21.897 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.546 20.865 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.509 22.231 0.262 1.00 0.00 H new ATOM 126 N SER A 11 1.892 19.492 0.212 1.00 0.00 N ATOM 127 CA SER A 11 2.932 18.867 1.012 1.00 0.00 C ATOM 128 C SER A 11 4.042 18.322 0.121 1.00 0.00 C ATOM 129 O SER A 11 3.819 18.026 -1.053 1.00 0.00 O ATOM 130 CB SER A 11 2.337 17.739 1.855 1.00 0.00 C ATOM 131 OG SER A 11 3.317 16.767 2.173 1.00 0.00 O ATOM 0 H SER A 11 1.936 19.271 -0.783 1.00 0.00 H new ATOM 0 HA SER A 11 3.359 19.621 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.917 18.150 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.517 17.269 1.312 1.00 0.00 H new ATOM 0 HG SER A 11 3.506 16.795 3.134 1.00 0.00 H new ATOM 137 N PRO A 12 5.255 18.180 0.670 1.00 0.00 N ATOM 138 CA PRO A 12 6.405 17.669 -0.057 1.00 0.00 C ATOM 139 C PRO A 12 6.453 16.149 -0.025 1.00 0.00 C ATOM 140 O PRO A 12 7.111 15.514 -0.849 1.00 0.00 O ATOM 141 CB PRO A 12 7.602 18.254 0.705 1.00 0.00 C ATOM 142 CG PRO A 12 7.039 18.941 1.918 1.00 0.00 C ATOM 143 CD PRO A 12 5.608 18.497 2.048 1.00 0.00 C ATOM 0 HA PRO A 12 6.384 17.945 -1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.300 17.468 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.153 18.958 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.608 18.677 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.099 20.024 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.509 17.631 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.974 19.282 2.460 1.00 0.00 H new ATOM 151 N ASP A 13 5.739 15.574 0.937 1.00 0.00 N ATOM 152 CA ASP A 13 5.681 14.128 1.090 1.00 0.00 C ATOM 153 C ASP A 13 4.290 13.619 0.750 1.00 0.00 C ATOM 154 O ASP A 13 3.866 12.565 1.224 1.00 0.00 O ATOM 155 CB ASP A 13 6.053 13.727 2.519 1.00 0.00 C ATOM 156 CG ASP A 13 5.827 14.851 3.511 1.00 0.00 C ATOM 157 OD1 ASP A 13 4.668 15.290 3.659 1.00 0.00 O ATOM 158 OD2 ASP A 13 6.812 15.292 4.141 1.00 0.00 O ATOM 0 H ASP A 13 5.191 16.091 1.624 1.00 0.00 H new ATOM 0 HA ASP A 13 6.398 13.678 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.463 12.860 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.100 13.425 2.548 1.00 0.00 H new ATOM 163 N LEU A 14 3.580 14.382 -0.074 1.00 0.00 N ATOM 164 CA LEU A 14 2.229 14.017 -0.484 1.00 0.00 C ATOM 165 C LEU A 14 2.165 12.553 -0.899 1.00 0.00 C ATOM 166 O LEU A 14 1.202 11.850 -0.594 1.00 0.00 O ATOM 167 CB LEU A 14 1.771 14.903 -1.641 1.00 0.00 C ATOM 168 CG LEU A 14 0.382 15.521 -1.474 1.00 0.00 C ATOM 169 CD1 LEU A 14 0.355 16.933 -2.034 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.670 14.657 -2.154 1.00 0.00 C ATOM 0 H LEU A 14 3.918 15.258 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 14 1.564 14.166 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.496 15.706 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.781 14.312 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 14 0.153 15.570 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.641 17.356 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.082 17.549 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.605 16.909 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.652 15.111 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.443 14.577 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.669 13.663 -1.707 1.00 0.00 H new ATOM 182 N CYS A 15 3.198 12.102 -1.601 1.00 0.00 N ATOM 183 CA CYS A 15 3.265 10.723 -2.064 1.00 0.00 C ATOM 184 C CYS A 15 3.688 9.784 -0.939 1.00 0.00 C ATOM 185 O CYS A 15 3.877 8.591 -1.157 1.00 0.00 O ATOM 186 CB CYS A 15 4.246 10.606 -3.230 1.00 0.00 C ATOM 187 SG CYS A 15 3.567 9.753 -4.688 1.00 0.00 S ATOM 0 H CYS A 15 4.002 12.673 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 15 2.269 10.432 -2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.566 11.606 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.135 10.073 -2.891 1.00 0.00 H new ATOM 192 N GLY A 16 3.834 10.330 0.261 1.00 0.00 N ATOM 193 CA GLY A 16 4.235 9.525 1.403 1.00 0.00 C ATOM 194 C GLY A 16 5.206 8.414 1.038 1.00 0.00 C ATOM 195 O GLY A 16 5.229 7.372 1.691 1.00 0.00 O ATOM 0 H GLY A 16 3.682 11.318 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.695 10.170 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.348 9.088 1.861 1.00 0.00 H new ATOM 199 N ARG A 17 6.011 8.642 0.000 1.00 0.00 N ATOM 200 CA ARG A 17 6.997 7.661 -0.455 1.00 0.00 C ATOM 201 C ARG A 17 7.299 7.846 -1.939 1.00 0.00 C ATOM 202 O ARG A 17 8.449 7.746 -2.366 1.00 0.00 O ATOM 203 CB ARG A 17 6.504 6.232 -0.201 1.00 0.00 C ATOM 204 CG ARG A 17 7.293 5.164 -0.943 1.00 0.00 C ATOM 205 CD ARG A 17 8.182 4.378 0.006 1.00 0.00 C ATOM 206 NE ARG A 17 8.306 2.979 -0.393 1.00 0.00 N ATOM 207 CZ ARG A 17 9.046 2.091 0.263 1.00 0.00 C ATOM 208 NH1 ARG A 17 9.722 2.455 1.344 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.108 0.836 -0.161 1.00 0.00 N ATOM 0 H ARG A 17 5.999 9.504 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 17 7.912 7.822 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.552 6.027 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.456 6.163 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.605 4.485 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.904 5.631 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.171 4.835 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.773 4.432 1.015 1.00 0.00 H new ATOM 0 HE ARG A 17 7.797 2.666 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.675 3.419 1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.289 1.771 1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.588 0.552 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.676 0.155 0.343 1.00 0.00 H new ATOM 223 N GLY A 18 6.257 8.110 -2.722 1.00 0.00 N ATOM 224 CA GLY A 18 6.431 8.299 -4.149 1.00 0.00 C ATOM 225 C GLY A 18 6.785 9.727 -4.507 1.00 0.00 C ATOM 226 O GLY A 18 7.559 10.378 -3.805 1.00 0.00 O ATOM 0 H GLY A 18 5.296 8.196 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.216 7.633 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.513 8.016 -4.664 1.00 0.00 H new ATOM 230 N GLN A 19 6.222 10.214 -5.607 1.00 0.00 N ATOM 231 CA GLN A 19 6.487 11.573 -6.062 1.00 0.00 C ATOM 232 C GLN A 19 5.232 12.206 -6.655 1.00 0.00 C ATOM 233 O GLN A 19 4.854 11.911 -7.788 1.00 0.00 O ATOM 234 CB GLN A 19 7.606 11.561 -7.102 1.00 0.00 C ATOM 235 CG GLN A 19 8.855 10.832 -6.636 1.00 0.00 C ATOM 236 CD GLN A 19 10.087 11.717 -6.656 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.509 12.236 -5.623 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.669 11.892 -7.836 1.00 0.00 N ATOM 0 H GLN A 19 5.580 9.688 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 19 6.796 12.169 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.239 11.091 -8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.867 12.588 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.697 10.458 -5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.025 9.965 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.284 11.442 -8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.501 12.477 -7.912 1.00 0.00 H new ATOM 247 N CYS A 20 4.590 13.080 -5.883 1.00 0.00 N ATOM 248 CA CYS A 20 3.381 13.751 -6.343 1.00 0.00 C ATOM 249 C CYS A 20 3.632 14.495 -7.650 1.00 0.00 C ATOM 250 O CYS A 20 4.723 15.015 -7.881 1.00 0.00 O ATOM 251 CB CYS A 20 2.877 14.727 -5.279 1.00 0.00 C ATOM 252 SG CYS A 20 1.492 15.776 -5.830 1.00 0.00 S ATOM 0 H CYS A 20 4.886 13.338 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 20 2.621 12.990 -6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.564 14.161 -4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.703 15.367 -4.968 1.00 0.00 H new ATOM 257 N VAL A 21 2.609 14.548 -8.499 1.00 0.00 N ATOM 258 CA VAL A 21 2.712 15.235 -9.780 1.00 0.00 C ATOM 259 C VAL A 21 1.523 16.165 -9.994 1.00 0.00 C ATOM 260 O VAL A 21 0.496 16.037 -9.327 1.00 0.00 O ATOM 261 CB VAL A 21 2.793 14.238 -10.952 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.547 14.945 -12.279 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.140 13.532 -10.960 1.00 0.00 C ATOM 0 H VAL A 21 1.699 14.123 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 21 3.631 15.821 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 21 2.014 13.488 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.609 14.223 -13.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.556 15.399 -12.271 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.300 15.720 -12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.179 12.832 -11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.936 14.269 -11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.272 12.989 -10.024 1.00 0.00 H new ATOM 273 N ASN A 22 1.669 17.098 -10.927 1.00 0.00 N ATOM 274 CA ASN A 22 0.607 18.051 -11.225 1.00 0.00 C ATOM 275 C ASN A 22 -0.218 17.605 -12.427 1.00 0.00 C ATOM 276 O ASN A 22 0.287 16.934 -13.328 1.00 0.00 O ATOM 277 CB ASN A 22 1.198 19.437 -11.488 1.00 0.00 C ATOM 278 CG ASN A 22 0.191 20.542 -11.249 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.235 21.222 -12.182 1.00 0.00 O ATOM 280 ND2 ASN A 22 -0.195 20.728 -9.993 1.00 0.00 N ATOM 0 H ASN A 22 2.512 17.215 -11.490 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.051 18.097 -10.358 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.063 19.590 -10.843 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.555 19.489 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.871 21.458 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.184 20.140 -9.251 1.00 0.00 H new ATOM 287 N THR A 23 -1.492 17.988 -12.434 1.00 0.00 N ATOM 288 CA THR A 23 -2.395 17.636 -13.524 1.00 0.00 C ATOM 289 C THR A 23 -3.534 18.643 -13.634 1.00 0.00 C ATOM 290 O THR A 23 -3.997 19.184 -12.630 1.00 0.00 O ATOM 291 CB THR A 23 -2.989 16.228 -13.331 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.089 16.281 -12.417 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.935 15.264 -12.808 1.00 0.00 C ATOM 0 H THR A 23 -1.922 18.544 -11.695 1.00 0.00 H new ATOM 0 HA THR A 23 -1.806 17.650 -14.441 1.00 0.00 H new ATOM 0 HB THR A 23 -3.339 15.870 -14.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.909 16.505 -12.905 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.377 14.276 -12.679 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.112 15.203 -13.520 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.559 15.621 -11.849 1.00 0.00 H new ATOM 301 N PRO A 24 -4.004 18.906 -14.862 1.00 0.00 N ATOM 302 CA PRO A 24 -5.096 19.847 -15.110 1.00 0.00 C ATOM 303 C PRO A 24 -6.268 19.625 -14.161 1.00 0.00 C ATOM 304 O PRO A 24 -6.947 18.599 -14.227 1.00 0.00 O ATOM 305 CB PRO A 24 -5.514 19.559 -16.561 1.00 0.00 C ATOM 306 CG PRO A 24 -4.737 18.350 -16.981 1.00 0.00 C ATOM 307 CD PRO A 24 -3.519 18.303 -16.104 1.00 0.00 C ATOM 0 HA PRO A 24 -4.785 20.879 -14.950 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.587 19.377 -16.629 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.293 20.409 -17.207 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.334 17.445 -16.865 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.456 18.415 -18.032 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.168 17.283 -15.950 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.688 18.865 -16.531 1.00 0.00 H new ATOM 315 N GLY A 25 -6.495 20.586 -13.272 1.00 0.00 N ATOM 316 CA GLY A 25 -7.580 20.467 -12.318 1.00 0.00 C ATOM 317 C GLY A 25 -7.491 19.185 -11.518 1.00 0.00 C ATOM 318 O GLY A 25 -8.490 18.491 -11.324 1.00 0.00 O ATOM 0 H GLY A 25 -5.948 21.443 -13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.562 21.320 -11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.533 20.500 -12.846 1.00 0.00 H new ATOM 322 N ASP A 26 -6.287 18.868 -11.060 1.00 0.00 N ATOM 323 CA ASP A 26 -6.054 17.660 -10.283 1.00 0.00 C ATOM 324 C ASP A 26 -4.560 17.411 -10.112 1.00 0.00 C ATOM 325 O ASP A 26 -3.739 18.280 -10.405 1.00 0.00 O ATOM 326 CB ASP A 26 -6.707 16.460 -10.964 1.00 0.00 C ATOM 327 CG ASP A 26 -7.739 15.783 -10.084 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.614 15.877 -8.844 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.671 15.160 -10.632 1.00 0.00 O ATOM 0 H ASP A 26 -5.453 19.435 -11.215 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.499 17.795 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.181 16.786 -11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.937 15.738 -11.237 1.00 0.00 H new ATOM 334 N PHE A 27 -4.212 16.222 -9.635 1.00 0.00 N ATOM 335 CA PHE A 27 -2.814 15.867 -9.424 1.00 0.00 C ATOM 336 C PHE A 27 -2.654 14.363 -9.235 1.00 0.00 C ATOM 337 O PHE A 27 -3.514 13.706 -8.648 1.00 0.00 O ATOM 338 CB PHE A 27 -2.267 16.611 -8.204 1.00 0.00 C ATOM 339 CG PHE A 27 -2.557 15.922 -6.902 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.772 16.106 -6.263 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.614 15.093 -6.318 1.00 0.00 C ATOM 342 CE1 PHE A 27 -4.043 15.473 -5.065 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.878 14.457 -5.120 1.00 0.00 C ATOM 344 CZ PHE A 27 -3.094 14.647 -4.492 1.00 0.00 C ATOM 0 H PHE A 27 -4.877 15.489 -9.388 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.248 16.160 -10.309 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.189 16.727 -8.312 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.694 17.614 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.516 16.751 -6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.662 14.942 -6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.995 15.623 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.135 13.812 -4.675 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.303 14.151 -3.555 1.00 0.00 H new ATOM 354 N GLU A 28 -1.546 13.823 -9.732 1.00 0.00 N ATOM 355 CA GLU A 28 -1.272 12.395 -9.614 1.00 0.00 C ATOM 356 C GLU A 28 -0.007 12.157 -8.796 1.00 0.00 C ATOM 357 O GLU A 28 0.538 13.083 -8.195 1.00 0.00 O ATOM 358 CB GLU A 28 -1.131 11.761 -10.998 1.00 0.00 C ATOM 359 CG GLU A 28 0.019 12.326 -11.812 1.00 0.00 C ATOM 360 CD GLU A 28 1.253 11.448 -11.768 1.00 0.00 C ATOM 361 OE1 GLU A 28 1.138 10.287 -11.323 1.00 0.00 O ATOM 362 OE2 GLU A 28 2.334 11.920 -12.179 1.00 0.00 O ATOM 0 H GLU A 28 -0.823 14.352 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.112 11.928 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.990 10.686 -10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.060 11.904 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.299 12.447 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.271 13.318 -11.438 1.00 0.00 H new ATOM 369 N CYS A 29 0.452 10.911 -8.769 1.00 0.00 N ATOM 370 CA CYS A 29 1.650 10.562 -8.014 1.00 0.00 C ATOM 371 C CYS A 29 2.501 9.527 -8.744 1.00 0.00 C ATOM 372 O CYS A 29 2.052 8.889 -9.696 1.00 0.00 O ATOM 373 CB CYS A 29 1.268 10.017 -6.639 1.00 0.00 C ATOM 374 SG CYS A 29 2.006 10.925 -5.245 1.00 0.00 S ATOM 0 H CYS A 29 0.016 10.129 -9.258 1.00 0.00 H new ATOM 0 HA CYS A 29 2.238 11.473 -7.904 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.183 10.041 -6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.571 8.972 -6.578 1.00 0.00 H new ATOM 379 N LYS A 30 3.730 9.362 -8.269 1.00 0.00 N ATOM 380 CA LYS A 30 4.665 8.402 -8.841 1.00 0.00 C ATOM 381 C LYS A 30 5.139 7.440 -7.758 1.00 0.00 C ATOM 382 O LYS A 30 6.182 7.649 -7.139 1.00 0.00 O ATOM 383 CB LYS A 30 5.860 9.130 -9.455 1.00 0.00 C ATOM 384 CG LYS A 30 6.729 8.251 -10.339 1.00 0.00 C ATOM 385 CD LYS A 30 7.214 7.016 -9.597 1.00 0.00 C ATOM 386 CE LYS A 30 8.275 6.271 -10.391 1.00 0.00 C ATOM 387 NZ LYS A 30 9.637 6.472 -9.824 1.00 0.00 N ATOM 0 H LYS A 30 4.105 9.888 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 30 4.160 7.838 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.497 9.973 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.473 9.541 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.163 7.948 -11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.586 8.824 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.621 7.308 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.371 6.353 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.040 5.207 -10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.259 6.611 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.331 5.948 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.872 7.485 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.660 6.124 -8.844 1.00 0.00 H new ATOM 401 N CYS A 31 4.348 6.404 -7.514 1.00 0.00 N ATOM 402 CA CYS A 31 4.665 5.425 -6.480 1.00 0.00 C ATOM 403 C CYS A 31 5.950 4.663 -6.777 1.00 0.00 C ATOM 404 O CYS A 31 6.440 4.651 -7.906 1.00 0.00 O ATOM 405 CB CYS A 31 3.509 4.437 -6.306 1.00 0.00 C ATOM 406 SG CYS A 31 2.685 4.538 -4.686 1.00 0.00 S ATOM 0 H CYS A 31 3.481 6.219 -8.018 1.00 0.00 H new ATOM 0 HA CYS A 31 4.816 5.981 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.772 4.615 -7.089 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.886 3.424 -6.448 1.00 0.00 H new ATOM 411 N ASP A 32 6.488 4.022 -5.739 1.00 0.00 N ATOM 412 CA ASP A 32 7.718 3.248 -5.859 1.00 0.00 C ATOM 413 C ASP A 32 7.559 2.108 -6.862 1.00 0.00 C ATOM 414 O ASP A 32 7.805 2.283 -8.056 1.00 0.00 O ATOM 415 CB ASP A 32 8.121 2.687 -4.494 1.00 0.00 C ATOM 416 CG ASP A 32 9.326 1.770 -4.580 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.303 2.135 -5.266 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.293 0.686 -3.959 1.00 0.00 O ATOM 0 H ASP A 32 6.086 4.026 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 32 8.500 3.914 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.343 3.511 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.281 2.140 -4.066 1.00 0.00 H new ATOM 423 N GLU A 33 7.158 0.938 -6.371 1.00 0.00 N ATOM 424 CA GLU A 33 6.980 -0.228 -7.230 1.00 0.00 C ATOM 425 C GLU A 33 5.818 -1.101 -6.762 1.00 0.00 C ATOM 426 O GLU A 33 5.068 -1.638 -7.577 1.00 0.00 O ATOM 427 CB GLU A 33 8.266 -1.055 -7.267 1.00 0.00 C ATOM 428 CG GLU A 33 9.524 -0.215 -7.423 1.00 0.00 C ATOM 429 CD GLU A 33 10.768 -1.059 -7.617 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.954 -1.593 -8.731 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.555 -1.187 -6.656 1.00 0.00 O ATOM 0 H GLU A 33 6.951 0.773 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 33 6.748 0.133 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.340 -1.638 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.208 -1.765 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.406 0.454 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.649 0.413 -6.541 1.00 0.00 H new ATOM 438 N GLY A 34 5.672 -1.239 -5.449 1.00 0.00 N ATOM 439 CA GLY A 34 4.597 -2.049 -4.906 1.00 0.00 C ATOM 440 C GLY A 34 3.671 -1.243 -4.024 1.00 0.00 C ATOM 441 O GLY A 34 2.894 -1.799 -3.250 1.00 0.00 O ATOM 0 H GLY A 34 6.277 -0.805 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.027 -2.490 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.019 -2.873 -4.331 1.00 0.00 H new ATOM 445 N TYR A 35 3.763 0.074 -4.143 1.00 0.00 N ATOM 446 CA TYR A 35 2.940 0.978 -3.354 1.00 0.00 C ATOM 447 C TYR A 35 1.800 1.546 -4.189 1.00 0.00 C ATOM 448 O TYR A 35 1.794 1.429 -5.415 1.00 0.00 O ATOM 449 CB TYR A 35 3.799 2.116 -2.810 1.00 0.00 C ATOM 450 CG TYR A 35 4.724 1.716 -1.683 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.313 0.459 -1.651 1.00 0.00 C ATOM 452 CD2 TYR A 35 5.011 2.602 -0.652 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.160 0.095 -0.621 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.858 2.245 0.381 1.00 0.00 C ATOM 455 CZ TYR A 35 6.428 0.990 0.391 1.00 0.00 C ATOM 456 OH TYR A 35 7.271 0.630 1.418 1.00 0.00 O ATOM 0 H TYR A 35 4.404 0.542 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 35 2.511 0.416 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.395 2.527 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.144 2.914 -2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.106 -0.245 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.565 3.586 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.610 -0.887 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.072 2.945 1.175 1.00 0.00 H new ATOM 0 HH TYR A 35 7.524 -0.311 1.319 1.00 0.00 H new ATOM 466 N GLU A 36 0.835 2.164 -3.517 1.00 0.00 N ATOM 467 CA GLU A 36 -0.310 2.753 -4.197 1.00 0.00 C ATOM 468 C GLU A 36 -0.420 4.242 -3.870 1.00 0.00 C ATOM 469 O GLU A 36 -0.202 4.657 -2.732 1.00 0.00 O ATOM 470 CB GLU A 36 -1.598 1.999 -3.821 1.00 0.00 C ATOM 471 CG GLU A 36 -2.643 2.837 -3.093 1.00 0.00 C ATOM 472 CD GLU A 36 -3.571 3.567 -4.044 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.065 4.258 -4.953 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.803 3.445 -3.883 1.00 0.00 O ATOM 0 H GLU A 36 0.824 2.269 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.167 2.660 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.045 1.597 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.334 1.148 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.231 2.191 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.140 3.562 -2.453 1.00 0.00 H new ATOM 481 N SER A 37 -0.758 5.033 -4.878 1.00 0.00 N ATOM 482 CA SER A 37 -0.896 6.471 -4.712 1.00 0.00 C ATOM 483 C SER A 37 -2.309 6.838 -4.271 1.00 0.00 C ATOM 484 O SER A 37 -3.208 6.994 -5.098 1.00 0.00 O ATOM 485 CB SER A 37 -0.553 7.190 -6.018 1.00 0.00 C ATOM 486 OG SER A 37 -1.534 6.943 -7.010 1.00 0.00 O ATOM 0 H SER A 37 -0.942 4.700 -5.824 1.00 0.00 H new ATOM 0 HA SER A 37 -0.201 6.789 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.476 8.262 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.421 6.857 -6.375 1.00 0.00 H new ATOM 0 HG SER A 37 -2.425 6.970 -6.603 1.00 0.00 H new ATOM 492 N GLY A 38 -2.499 6.974 -2.963 1.00 0.00 N ATOM 493 CA GLY A 38 -3.805 7.322 -2.436 1.00 0.00 C ATOM 494 C GLY A 38 -4.680 6.107 -2.212 1.00 0.00 C ATOM 495 O GLY A 38 -5.652 5.888 -2.935 1.00 0.00 O ATOM 0 H GLY A 38 -1.772 6.849 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.683 7.857 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.303 8.002 -3.127 1.00 0.00 H new ATOM 499 N PHE A 39 -4.334 5.316 -1.205 1.00 0.00 N ATOM 500 CA PHE A 39 -5.091 4.113 -0.882 1.00 0.00 C ATOM 501 C PHE A 39 -6.479 4.469 -0.361 1.00 0.00 C ATOM 502 O PHE A 39 -7.395 3.648 -0.395 1.00 0.00 O ATOM 503 CB PHE A 39 -4.340 3.279 0.157 1.00 0.00 C ATOM 504 CG PHE A 39 -4.930 1.914 0.371 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.029 1.015 -0.678 1.00 0.00 C ATOM 506 CD2 PHE A 39 -5.386 1.530 1.622 1.00 0.00 C ATOM 507 CE1 PHE A 39 -5.571 -0.242 -0.485 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.929 0.275 1.823 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.022 -0.612 0.768 1.00 0.00 C ATOM 0 H PHE A 39 -3.533 5.486 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.205 3.527 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.302 3.172 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.333 3.816 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.678 1.300 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.316 2.220 2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.642 -0.933 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.280 -0.012 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.446 -1.593 0.922 1.00 0.00 H new ATOM 519 N MET A 40 -6.626 5.699 0.119 1.00 0.00 N ATOM 520 CA MET A 40 -7.901 6.168 0.647 1.00 0.00 C ATOM 521 C MET A 40 -7.697 7.353 1.585 1.00 0.00 C ATOM 522 O MET A 40 -8.583 8.192 1.744 1.00 0.00 O ATOM 523 CB MET A 40 -8.619 5.039 1.385 1.00 0.00 C ATOM 524 CG MET A 40 -7.682 4.124 2.157 1.00 0.00 C ATOM 525 SD MET A 40 -7.987 4.152 3.933 1.00 0.00 S ATOM 526 CE MET A 40 -6.780 2.959 4.503 1.00 0.00 C ATOM 0 H MET A 40 -5.876 6.390 0.153 1.00 0.00 H new ATOM 0 HA MET A 40 -8.516 6.492 -0.193 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.343 5.471 2.076 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.181 4.445 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.793 3.104 1.790 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.651 4.421 1.965 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.857 2.852 5.585 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.968 1.996 4.028 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.779 3.302 4.243 1.00 0.00 H new ATOM 536 N MET A 41 -6.522 7.413 2.203 1.00 0.00 N ATOM 537 CA MET A 41 -6.201 8.496 3.126 1.00 0.00 C ATOM 538 C MET A 41 -6.143 9.832 2.397 1.00 0.00 C ATOM 539 O MET A 41 -6.538 10.864 2.939 1.00 0.00 O ATOM 540 CB MET A 41 -4.866 8.221 3.820 1.00 0.00 C ATOM 541 CG MET A 41 -4.655 6.758 4.178 1.00 0.00 C ATOM 542 SD MET A 41 -4.519 6.490 5.956 1.00 0.00 S ATOM 543 CE MET A 41 -6.132 7.042 6.505 1.00 0.00 C ATOM 0 H MET A 41 -5.778 6.726 2.082 1.00 0.00 H new ATOM 0 HA MET A 41 -6.990 8.547 3.877 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.054 8.548 3.170 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.808 8.821 4.728 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.485 6.169 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.750 6.395 3.690 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.321 6.669 7.511 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.161 8.132 6.511 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.897 6.662 5.827 1.00 0.00 H new ATOM 553 N MET A 42 -5.648 9.805 1.165 1.00 0.00 N ATOM 554 CA MET A 42 -5.537 11.014 0.358 1.00 0.00 C ATOM 555 C MET A 42 -4.918 10.702 -1.000 1.00 0.00 C ATOM 556 O MET A 42 -5.626 10.444 -1.973 1.00 0.00 O ATOM 557 CB MET A 42 -4.694 12.065 1.084 1.00 0.00 C ATOM 558 CG MET A 42 -3.863 11.496 2.221 1.00 0.00 C ATOM 559 SD MET A 42 -2.495 12.574 2.688 1.00 0.00 S ATOM 560 CE MET A 42 -3.362 13.845 3.605 1.00 0.00 C ATOM 0 H MET A 42 -5.317 8.958 0.703 1.00 0.00 H new ATOM 0 HA MET A 42 -6.541 11.410 0.202 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.031 12.547 0.366 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.353 12.839 1.478 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.504 11.332 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.470 10.523 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.648 14.588 3.961 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.094 14.326 2.956 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.872 13.395 4.457 1.00 0.00 H new ATOM 570 N LYS A 43 -3.591 10.726 -1.056 1.00 0.00 N ATOM 571 CA LYS A 43 -2.873 10.443 -2.292 1.00 0.00 C ATOM 572 C LYS A 43 -1.414 10.104 -2.007 1.00 0.00 C ATOM 573 O LYS A 43 -0.520 10.484 -2.762 1.00 0.00 O ATOM 574 CB LYS A 43 -2.955 11.637 -3.243 1.00 0.00 C ATOM 575 CG LYS A 43 -3.141 11.240 -4.698 1.00 0.00 C ATOM 576 CD LYS A 43 -2.017 10.340 -5.178 1.00 0.00 C ATOM 577 CE LYS A 43 -2.142 10.042 -6.663 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.522 10.288 -7.165 1.00 0.00 N ATOM 0 H LYS A 43 -2.991 10.939 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.343 9.581 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.784 12.277 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.045 12.229 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.095 10.727 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.181 12.136 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.057 10.817 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.031 9.406 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.438 10.662 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.868 9.004 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.616 9.901 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.208 9.824 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.707 11.311 -7.184 1.00 0.00 H new ATOM 592 N ASN A 44 -1.180 9.386 -0.914 1.00 0.00 N ATOM 593 CA ASN A 44 0.163 8.996 -0.531 1.00 0.00 C ATOM 594 C ASN A 44 0.560 7.696 -1.219 1.00 0.00 C ATOM 595 O ASN A 44 -0.258 7.053 -1.875 1.00 0.00 O ATOM 596 CB ASN A 44 0.263 8.845 0.989 1.00 0.00 C ATOM 597 CG ASN A 44 -0.159 7.468 1.472 1.00 0.00 C ATOM 598 OD1 ASN A 44 0.329 6.981 2.492 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.070 6.833 0.743 1.00 0.00 N ATOM 0 H ASN A 44 -1.909 9.063 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 44 0.851 9.779 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.289 9.036 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.362 9.600 1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.391 5.906 1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.449 7.273 -0.096 1.00 0.00 H new ATOM 606 N CYS A 45 1.817 7.315 -1.059 1.00 0.00 N ATOM 607 CA CYS A 45 2.325 6.091 -1.658 1.00 0.00 C ATOM 608 C CYS A 45 2.629 5.055 -0.584 1.00 0.00 C ATOM 609 O CYS A 45 3.563 5.221 0.200 1.00 0.00 O ATOM 610 CB CYS A 45 3.574 6.389 -2.469 1.00 0.00 C ATOM 611 SG CYS A 45 4.201 4.970 -3.408 1.00 0.00 S ATOM 0 H CYS A 45 2.506 7.837 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 45 1.561 5.685 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.359 7.203 -3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.356 6.740 -1.796 1.00 0.00 H new ATOM 616 N MET A 46 1.826 3.997 -0.537 1.00 0.00 N ATOM 617 CA MET A 46 2.019 2.954 0.468 1.00 0.00 C ATOM 618 C MET A 46 1.671 1.563 -0.063 1.00 0.00 C ATOM 619 O MET A 46 0.533 1.315 -0.458 1.00 0.00 O ATOM 620 CB MET A 46 1.167 3.267 1.699 1.00 0.00 C ATOM 621 CG MET A 46 -0.327 3.142 1.451 1.00 0.00 C ATOM 622 SD MET A 46 -1.064 1.753 2.334 1.00 0.00 S ATOM 623 CE MET A 46 -1.003 2.353 4.021 1.00 0.00 C ATOM 0 H MET A 46 1.045 3.838 -1.173 1.00 0.00 H new ATOM 0 HA MET A 46 3.076 2.944 0.733 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.450 2.593 2.508 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.388 4.280 2.036 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.820 4.065 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.505 3.024 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.580 1.689 4.664 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.032 2.378 4.361 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.424 3.357 4.065 1.00 0.00 H new ATOM 633 N ASP A 47 2.671 0.669 -0.049 1.00 0.00 N ATOM 634 CA ASP A 47 2.525 -0.720 -0.503 1.00 0.00 C ATOM 635 C ASP A 47 1.079 -1.072 -0.840 1.00 0.00 C ATOM 636 O ASP A 47 0.230 -1.180 0.044 1.00 0.00 O ATOM 637 CB ASP A 47 3.049 -1.675 0.569 1.00 0.00 C ATOM 638 CG ASP A 47 2.069 -1.859 1.711 1.00 0.00 C ATOM 639 OD1 ASP A 47 2.024 -0.984 2.601 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.346 -2.877 1.715 1.00 0.00 O ATOM 0 H ASP A 47 3.610 0.892 0.280 1.00 0.00 H new ATOM 0 HA ASP A 47 3.110 -0.824 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.260 -2.644 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.992 -1.294 0.961 1.00 0.00 H new ATOM 645 N ILE A 48 0.814 -1.252 -2.127 1.00 0.00 N ATOM 646 CA ILE A 48 -0.519 -1.595 -2.598 1.00 0.00 C ATOM 647 C ILE A 48 -1.060 -2.828 -1.886 1.00 0.00 C ATOM 648 O ILE A 48 -0.410 -3.384 -1.000 1.00 0.00 O ATOM 649 CB ILE A 48 -0.513 -1.864 -4.112 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.704 -2.709 -4.483 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.515 -0.555 -4.886 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.387 -3.827 -5.451 1.00 0.00 C ATOM 0 H ILE A 48 1.511 -1.165 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.162 -0.743 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.416 -2.414 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.465 -2.064 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.132 -3.135 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.511 -0.765 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.408 0.017 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.372 0.023 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.296 -4.386 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.351 -4.495 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.013 -3.407 -6.374 1.00 0.00 H new ATOM 664 N ASP A 49 -2.252 -3.253 -2.289 1.00 0.00 N ATOM 665 CA ASP A 49 -2.886 -4.424 -1.699 1.00 0.00 C ATOM 666 C ASP A 49 -2.688 -5.645 -2.589 1.00 0.00 C ATOM 667 O ASP A 49 -3.618 -6.091 -3.260 1.00 0.00 O ATOM 668 CB ASP A 49 -4.380 -4.175 -1.488 1.00 0.00 C ATOM 669 CG ASP A 49 -5.075 -5.357 -0.844 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.508 -6.470 -0.876 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.190 -5.173 -0.310 1.00 0.00 O ATOM 0 H ASP A 49 -2.799 -2.803 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.418 -4.612 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.514 -3.293 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.849 -3.959 -2.448 1.00 0.00 H new ATOM 676 N GLU A 50 -1.473 -6.181 -2.593 1.00 0.00 N ATOM 677 CA GLU A 50 -1.158 -7.349 -3.399 1.00 0.00 C ATOM 678 C GLU A 50 -2.206 -8.441 -3.213 1.00 0.00 C ATOM 679 O GLU A 50 -2.416 -9.274 -4.096 1.00 0.00 O ATOM 680 CB GLU A 50 0.217 -7.886 -3.016 1.00 0.00 C ATOM 681 CG GLU A 50 1.369 -7.071 -3.579 1.00 0.00 C ATOM 682 CD GLU A 50 1.940 -6.094 -2.567 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.261 -6.527 -1.441 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.065 -4.898 -2.901 1.00 0.00 O ATOM 0 H GLU A 50 -0.690 -5.823 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.155 -7.050 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.298 -7.911 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.306 -8.915 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.158 -7.745 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.027 -6.522 -4.456 1.00 0.00 H new ATOM 691 N CYS A 51 -2.863 -8.431 -2.058 1.00 0.00 N ATOM 692 CA CYS A 51 -3.892 -9.421 -1.753 1.00 0.00 C ATOM 693 C CYS A 51 -5.163 -9.144 -2.547 1.00 0.00 C ATOM 694 O CYS A 51 -6.066 -9.976 -2.607 1.00 0.00 O ATOM 695 CB CYS A 51 -4.209 -9.416 -0.257 1.00 0.00 C ATOM 696 SG CYS A 51 -2.767 -9.720 0.812 1.00 0.00 S ATOM 0 H CYS A 51 -2.702 -7.749 -1.317 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.510 -10.402 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.647 -8.453 0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.964 -10.176 -0.054 1.00 0.00 H new ATOM 701 N GLN A 52 -5.224 -7.961 -3.148 1.00 0.00 N ATOM 702 CA GLN A 52 -6.382 -7.558 -3.933 1.00 0.00 C ATOM 703 C GLN A 52 -6.007 -7.386 -5.400 1.00 0.00 C ATOM 704 O GLN A 52 -6.858 -7.473 -6.285 1.00 0.00 O ATOM 705 CB GLN A 52 -6.950 -6.251 -3.382 1.00 0.00 C ATOM 706 CG GLN A 52 -7.996 -6.456 -2.300 1.00 0.00 C ATOM 707 CD GLN A 52 -9.055 -5.372 -2.300 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.936 -5.348 -3.158 1.00 0.00 O ATOM 709 NE2 GLN A 52 -8.974 -4.466 -1.332 1.00 0.00 N ATOM 0 H GLN A 52 -4.482 -7.263 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.139 -8.339 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.134 -5.650 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.391 -5.682 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.474 -7.426 -2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.506 -6.480 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.226 -4.524 -0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.659 -3.712 -1.280 1.00 0.00 H new ATOM 718 N ARG A 53 -4.727 -7.140 -5.648 1.00 0.00 N ATOM 719 CA ARG A 53 -4.230 -6.952 -7.005 1.00 0.00 C ATOM 720 C ARG A 53 -4.621 -8.126 -7.899 1.00 0.00 C ATOM 721 O ARG A 53 -4.831 -7.959 -9.100 1.00 0.00 O ATOM 722 CB ARG A 53 -2.709 -6.790 -6.994 1.00 0.00 C ATOM 723 CG ARG A 53 -2.090 -6.749 -8.379 1.00 0.00 C ATOM 724 CD ARG A 53 -0.966 -7.763 -8.512 1.00 0.00 C ATOM 725 NE ARG A 53 -0.465 -7.850 -9.881 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.998 -8.634 -10.812 1.00 0.00 C ATOM 727 NH1 ARG A 53 -2.046 -9.393 -10.522 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.484 -8.661 -12.034 1.00 0.00 N ATOM 0 H ARG A 53 -4.012 -7.066 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.684 -6.047 -7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.454 -5.872 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.269 -7.614 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.856 -6.951 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.706 -5.749 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.149 -7.488 -7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.322 -8.743 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 53 0.339 -7.277 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.444 -9.376 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.454 -9.994 -11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.322 -8.079 -12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.895 -9.264 -12.747 1.00 0.00 H new ATOM 742 N ASP A 54 -4.715 -9.313 -7.306 1.00 0.00 N ATOM 743 CA ASP A 54 -5.080 -10.511 -8.054 1.00 0.00 C ATOM 744 C ASP A 54 -6.168 -11.300 -7.334 1.00 0.00 C ATOM 745 O ASP A 54 -6.174 -11.397 -6.107 1.00 0.00 O ATOM 746 CB ASP A 54 -3.852 -11.399 -8.265 1.00 0.00 C ATOM 747 CG ASP A 54 -3.463 -11.511 -9.726 1.00 0.00 C ATOM 748 OD1 ASP A 54 -4.128 -10.871 -10.568 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.496 -12.241 -10.028 1.00 0.00 O ATOM 0 H ASP A 54 -4.544 -9.470 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.468 -10.195 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.013 -10.995 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.054 -12.394 -7.868 1.00 0.00 H new ATOM 754 N PRO A 55 -7.101 -11.882 -8.100 1.00 0.00 N ATOM 755 CA PRO A 55 -8.199 -12.675 -7.556 1.00 0.00 C ATOM 756 C PRO A 55 -7.779 -14.114 -7.280 1.00 0.00 C ATOM 757 O PRO A 55 -8.536 -14.898 -6.707 1.00 0.00 O ATOM 758 CB PRO A 55 -9.235 -12.622 -8.674 1.00 0.00 C ATOM 759 CG PRO A 55 -8.431 -12.527 -9.927 1.00 0.00 C ATOM 760 CD PRO A 55 -7.149 -11.814 -9.571 1.00 0.00 C ATOM 0 HA PRO A 55 -8.560 -12.296 -6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.865 -13.512 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.897 -11.763 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.223 -13.519 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.977 -11.980 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.284 -12.300 -10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.155 -10.782 -9.923 1.00 0.00 H new ATOM 768 N LEU A 56 -6.558 -14.448 -7.688 1.00 0.00 N ATOM 769 CA LEU A 56 -6.014 -15.783 -7.489 1.00 0.00 C ATOM 770 C LEU A 56 -4.861 -15.740 -6.493 1.00 0.00 C ATOM 771 O LEU A 56 -4.375 -16.776 -6.038 1.00 0.00 O ATOM 772 CB LEU A 56 -5.537 -16.361 -8.820 1.00 0.00 C ATOM 773 CG LEU A 56 -6.214 -17.666 -9.235 1.00 0.00 C ATOM 774 CD1 LEU A 56 -7.319 -17.397 -10.245 1.00 0.00 C ATOM 775 CD2 LEU A 56 -5.188 -18.630 -9.806 1.00 0.00 C ATOM 0 H LEU A 56 -5.924 -13.805 -8.162 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.799 -16.424 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.702 -15.619 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.462 -16.529 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.664 -18.121 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.790 -18.338 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.065 -16.738 -9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.895 -16.922 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.682 -19.556 -10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.713 -18.181 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.431 -18.845 -9.051 1.00 0.00 H new ATOM 787 N LEU A 57 -4.428 -14.530 -6.160 1.00 0.00 N ATOM 788 CA LEU A 57 -3.338 -14.341 -5.214 1.00 0.00 C ATOM 789 C LEU A 57 -3.603 -15.111 -3.927 1.00 0.00 C ATOM 790 O LEU A 57 -4.620 -14.901 -3.267 1.00 0.00 O ATOM 791 CB LEU A 57 -3.164 -12.856 -4.905 1.00 0.00 C ATOM 792 CG LEU A 57 -1.760 -12.447 -4.464 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.273 -11.255 -5.272 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.742 -12.132 -2.977 1.00 0.00 C ATOM 0 H LEU A 57 -4.817 -13.664 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.422 -14.723 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.431 -12.282 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.869 -12.578 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.083 -13.282 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.271 -10.978 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.249 -11.518 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.949 -10.413 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.734 -11.842 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.431 -11.313 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.047 -13.014 -2.414 1.00 0.00 H new ATOM 806 N CYS A 58 -2.688 -16.007 -3.578 1.00 0.00 N ATOM 807 CA CYS A 58 -2.836 -16.807 -2.371 1.00 0.00 C ATOM 808 C CYS A 58 -4.237 -17.402 -2.298 1.00 0.00 C ATOM 809 O CYS A 58 -4.736 -17.722 -1.219 1.00 0.00 O ATOM 810 CB CYS A 58 -2.550 -15.953 -1.134 1.00 0.00 C ATOM 811 SG CYS A 58 -0.882 -15.225 -1.125 1.00 0.00 S ATOM 0 H CYS A 58 -1.840 -16.197 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.116 -17.625 -2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.288 -15.153 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.675 -16.567 -0.242 1.00 0.00 H new ATOM 816 N ARG A 59 -4.861 -17.549 -3.463 1.00 0.00 N ATOM 817 CA ARG A 59 -6.203 -18.109 -3.553 1.00 0.00 C ATOM 818 C ARG A 59 -6.259 -19.483 -2.894 1.00 0.00 C ATOM 819 O ARG A 59 -7.333 -19.981 -2.559 1.00 0.00 O ATOM 820 CB ARG A 59 -6.630 -18.209 -5.019 1.00 0.00 C ATOM 821 CG ARG A 59 -8.129 -18.341 -5.216 1.00 0.00 C ATOM 822 CD ARG A 59 -8.494 -19.674 -5.851 1.00 0.00 C ATOM 823 NE ARG A 59 -9.703 -20.247 -5.266 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.355 -21.279 -5.789 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.917 -21.848 -6.903 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.448 -21.744 -5.198 1.00 0.00 N ATOM 0 H ARG A 59 -4.455 -17.286 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.891 -17.448 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.280 -17.324 -5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.137 -19.069 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.633 -18.245 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.487 -17.527 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.640 -19.537 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.666 -20.372 -5.729 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.067 -19.832 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.077 -21.493 -7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.420 -22.641 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.789 -21.309 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.948 -22.537 -5.601 1.00 0.00 H new ATOM 840 N GLY A 60 -5.089 -20.086 -2.708 1.00 0.00 N ATOM 841 CA GLY A 60 -5.018 -21.395 -2.087 1.00 0.00 C ATOM 842 C GLY A 60 -4.029 -21.431 -0.939 1.00 0.00 C ATOM 843 O GLY A 60 -3.525 -22.494 -0.578 1.00 0.00 O ATOM 0 H GLY A 60 -4.188 -19.690 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.006 -21.676 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.732 -22.135 -2.834 1.00 0.00 H new ATOM 847 N GLY A 61 -3.748 -20.264 -0.367 1.00 0.00 N ATOM 848 CA GLY A 61 -2.812 -20.187 0.738 1.00 0.00 C ATOM 849 C GLY A 61 -3.058 -18.986 1.630 1.00 0.00 C ATOM 850 O GLY A 61 -4.166 -18.792 2.133 1.00 0.00 O ATOM 0 H GLY A 61 -4.152 -19.371 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.883 -21.097 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.796 -20.141 0.346 1.00 0.00 H new ATOM 854 N VAL A 62 -2.021 -18.181 1.826 1.00 0.00 N ATOM 855 CA VAL A 62 -2.118 -16.992 2.662 1.00 0.00 C ATOM 856 C VAL A 62 -1.379 -15.821 2.026 1.00 0.00 C ATOM 857 O VAL A 62 -0.270 -15.979 1.513 1.00 0.00 O ATOM 858 CB VAL A 62 -1.544 -17.245 4.069 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.357 -15.934 4.820 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.443 -18.191 4.851 1.00 0.00 C ATOM 0 H VAL A 62 -1.100 -18.331 1.415 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.177 -16.749 2.751 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.566 -17.714 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.951 -16.137 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.667 -15.294 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.319 -15.431 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.021 -18.358 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.436 -17.752 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.517 -19.142 4.324 1.00 0.00 H new ATOM 870 N CYS A 63 -1.999 -14.649 2.061 1.00 0.00 N ATOM 871 CA CYS A 63 -1.398 -13.454 1.486 1.00 0.00 C ATOM 872 C CYS A 63 -0.883 -12.516 2.572 1.00 0.00 C ATOM 873 O CYS A 63 -1.638 -11.721 3.133 1.00 0.00 O ATOM 874 CB CYS A 63 -2.407 -12.722 0.602 1.00 0.00 C ATOM 875 SG CYS A 63 -1.760 -11.195 -0.150 1.00 0.00 S ATOM 0 H CYS A 63 -2.917 -14.501 2.481 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.551 -13.769 0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.736 -13.394 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.287 -12.477 1.198 1.00 0.00 H new ATOM 880 N HIS A 64 0.410 -12.611 2.856 1.00 0.00 N ATOM 881 CA HIS A 64 1.038 -11.770 3.868 1.00 0.00 C ATOM 882 C HIS A 64 1.554 -10.477 3.243 1.00 0.00 C ATOM 883 O HIS A 64 2.753 -10.198 3.267 1.00 0.00 O ATOM 884 CB HIS A 64 2.189 -12.515 4.546 1.00 0.00 C ATOM 885 CG HIS A 64 1.806 -13.866 5.064 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.319 -15.040 4.555 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.957 -14.228 6.054 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.803 -16.065 5.209 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.973 -15.599 6.125 1.00 0.00 N ATOM 0 H HIS A 64 1.046 -13.264 2.398 1.00 0.00 H new ATOM 0 HA HIS A 64 0.287 -11.524 4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.007 -12.626 3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.565 -11.911 5.372 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.992 -15.107 3.792 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.375 -13.562 6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.022 -17.107 5.026 1.00 0.00 H new ATOM 898 N ASN A 65 0.638 -9.696 2.680 1.00 0.00 N ATOM 899 CA ASN A 65 0.995 -8.434 2.041 1.00 0.00 C ATOM 900 C ASN A 65 1.947 -7.623 2.913 1.00 0.00 C ATOM 901 O ASN A 65 1.608 -7.241 4.033 1.00 0.00 O ATOM 902 CB ASN A 65 -0.264 -7.615 1.745 1.00 0.00 C ATOM 903 CG ASN A 65 0.055 -6.221 1.241 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.958 -5.556 1.748 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.691 -5.770 0.238 1.00 0.00 N ATOM 0 H ASN A 65 -0.358 -9.915 2.653 1.00 0.00 H new ATOM 0 HA ASN A 65 1.503 -8.666 1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.867 -8.137 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.867 -7.541 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.525 -4.838 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.429 -6.356 -0.152 1.00 0.00 H new ATOM 912 N THR A 66 3.138 -7.362 2.386 1.00 0.00 N ATOM 913 CA THR A 66 4.143 -6.593 3.109 1.00 0.00 C ATOM 914 C THR A 66 4.375 -5.240 2.444 1.00 0.00 C ATOM 915 O THR A 66 3.558 -4.781 1.644 1.00 0.00 O ATOM 916 CB THR A 66 5.482 -7.350 3.188 1.00 0.00 C ATOM 917 OG1 THR A 66 6.208 -7.192 1.964 1.00 0.00 O ATOM 918 CG2 THR A 66 5.252 -8.829 3.461 1.00 0.00 C ATOM 0 H THR A 66 3.431 -7.672 1.460 1.00 0.00 H new ATOM 0 HA THR A 66 3.762 -6.441 4.119 1.00 0.00 H new ATOM 0 HB THR A 66 6.063 -6.931 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.579 -7.140 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.212 -9.343 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.726 -8.947 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.653 -9.258 2.658 1.00 0.00 H new ATOM 926 N GLU A 67 5.494 -4.606 2.778 1.00 0.00 N ATOM 927 CA GLU A 67 5.832 -3.305 2.213 1.00 0.00 C ATOM 928 C GLU A 67 6.612 -3.462 0.911 1.00 0.00 C ATOM 929 O GLU A 67 7.708 -4.022 0.896 1.00 0.00 O ATOM 930 CB GLU A 67 6.649 -2.487 3.214 1.00 0.00 C ATOM 931 CG GLU A 67 5.874 -1.337 3.836 1.00 0.00 C ATOM 932 CD GLU A 67 5.948 -1.335 5.351 1.00 0.00 C ATOM 933 OE1 GLU A 67 5.735 -2.407 5.956 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.218 -0.263 5.932 1.00 0.00 O ATOM 0 H GLU A 67 6.182 -4.972 3.437 1.00 0.00 H new ATOM 0 HA GLU A 67 4.902 -2.779 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.003 -3.146 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.531 -2.090 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.264 -0.393 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.830 -1.398 3.527 1.00 0.00 H new ATOM 941 N GLY A 68 6.038 -2.964 -0.180 1.00 0.00 N ATOM 942 CA GLY A 68 6.694 -3.059 -1.472 1.00 0.00 C ATOM 943 C GLY A 68 6.691 -4.472 -2.020 1.00 0.00 C ATOM 944 O GLY A 68 7.541 -4.829 -2.836 1.00 0.00 O ATOM 0 H GLY A 68 5.131 -2.497 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.195 -2.397 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.723 -2.710 -1.381 1.00 0.00 H new ATOM 948 N SER A 69 5.733 -5.275 -1.570 1.00 0.00 N ATOM 949 CA SER A 69 5.620 -6.657 -2.017 1.00 0.00 C ATOM 950 C SER A 69 4.677 -7.439 -1.110 1.00 0.00 C ATOM 951 O SER A 69 4.156 -6.904 -0.131 1.00 0.00 O ATOM 952 CB SER A 69 6.994 -7.326 -2.038 1.00 0.00 C ATOM 953 OG SER A 69 7.306 -7.812 -3.331 1.00 0.00 O ATOM 0 H SER A 69 5.023 -4.991 -0.895 1.00 0.00 H new ATOM 0 HA SER A 69 5.213 -6.655 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.754 -6.612 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.012 -8.149 -1.323 1.00 0.00 H new ATOM 0 HG SER A 69 8.191 -8.234 -3.317 1.00 0.00 H new ATOM 959 N TYR A 70 4.462 -8.707 -1.439 1.00 0.00 N ATOM 960 CA TYR A 70 3.582 -9.558 -0.650 1.00 0.00 C ATOM 961 C TYR A 70 4.128 -10.977 -0.570 1.00 0.00 C ATOM 962 O TYR A 70 4.774 -11.457 -1.501 1.00 0.00 O ATOM 963 CB TYR A 70 2.171 -9.547 -1.239 1.00 0.00 C ATOM 964 CG TYR A 70 1.910 -10.621 -2.270 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.316 -10.456 -3.586 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.244 -11.789 -1.927 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.067 -11.429 -4.535 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.992 -12.768 -2.869 1.00 0.00 C ATOM 969 CZ TYR A 70 1.405 -12.583 -4.172 1.00 0.00 C ATOM 970 OH TYR A 70 1.155 -13.555 -5.113 1.00 0.00 O ATOM 0 H TYR A 70 4.884 -9.167 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 70 3.536 -9.163 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.452 -9.659 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.989 -8.573 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.835 -9.553 -3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.918 -11.935 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.389 -11.286 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.475 -13.673 -2.587 1.00 0.00 H new ATOM 0 HH TYR A 70 1.141 -14.434 -4.680 1.00 0.00 H new ATOM 980 N ARG A 71 3.881 -11.636 0.555 1.00 0.00 N ATOM 981 CA ARG A 71 4.368 -12.995 0.762 1.00 0.00 C ATOM 982 C ARG A 71 3.228 -14.005 0.740 1.00 0.00 C ATOM 983 O ARG A 71 2.388 -14.031 1.638 1.00 0.00 O ATOM 984 CB ARG A 71 5.120 -13.093 2.090 1.00 0.00 C ATOM 985 CG ARG A 71 5.480 -11.743 2.689 1.00 0.00 C ATOM 986 CD ARG A 71 6.522 -11.023 1.850 1.00 0.00 C ATOM 987 NE ARG A 71 7.822 -10.975 2.515 1.00 0.00 N ATOM 988 CZ ARG A 71 8.977 -10.876 1.866 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.993 -10.813 0.542 1.00 0.00 N ATOM 990 NH2 ARG A 71 10.118 -10.839 2.542 1.00 0.00 N ATOM 0 H ARG A 71 3.348 -11.254 1.336 1.00 0.00 H new ATOM 0 HA ARG A 71 5.047 -13.230 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.509 -13.646 2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.033 -13.669 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.584 -11.127 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.859 -11.882 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.625 -11.527 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.183 -10.008 1.643 1.00 0.00 H new ATOM 0 HE ARG A 71 7.844 -11.020 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.117 -10.840 0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.881 -10.737 0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.109 -10.887 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.004 -10.763 2.043 1.00 0.00 H new ATOM 1004 N CYS A 72 3.218 -14.844 -0.288 1.00 0.00 N ATOM 1005 CA CYS A 72 2.196 -15.871 -0.430 1.00 0.00 C ATOM 1006 C CYS A 72 2.649 -17.153 0.266 1.00 0.00 C ATOM 1007 O CYS A 72 3.816 -17.533 0.181 1.00 0.00 O ATOM 1008 CB CYS A 72 1.922 -16.128 -1.913 1.00 0.00 C ATOM 1009 SG CYS A 72 0.178 -16.475 -2.320 1.00 0.00 S ATOM 0 H CYS A 72 3.909 -14.832 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 72 1.273 -15.531 0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.248 -15.259 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.531 -16.971 -2.240 1.00 0.00 H new ATOM 1014 N GLU A 73 1.729 -17.804 0.973 1.00 0.00 N ATOM 1015 CA GLU A 73 2.058 -19.026 1.702 1.00 0.00 C ATOM 1016 C GLU A 73 0.913 -20.039 1.662 1.00 0.00 C ATOM 1017 O GLU A 73 -0.202 -19.743 2.090 1.00 0.00 O ATOM 1018 CB GLU A 73 2.388 -18.675 3.156 1.00 0.00 C ATOM 1019 CG GLU A 73 3.733 -19.201 3.624 1.00 0.00 C ATOM 1020 CD GLU A 73 4.096 -18.715 5.014 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.404 -17.514 5.163 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.073 -19.537 5.955 1.00 0.00 O ATOM 0 H GLU A 73 0.756 -17.509 1.057 1.00 0.00 H new ATOM 0 HA GLU A 73 2.921 -19.485 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.373 -17.591 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.607 -19.075 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.716 -20.291 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.506 -18.890 2.921 1.00 0.00 H new ATOM 1029 N CYS A 74 1.198 -21.234 1.150 1.00 0.00 N ATOM 1030 CA CYS A 74 0.193 -22.285 1.060 1.00 0.00 C ATOM 1031 C CYS A 74 -0.012 -23.009 2.399 1.00 0.00 C ATOM 1032 O CYS A 74 -1.102 -23.510 2.669 1.00 0.00 O ATOM 1033 CB CYS A 74 0.558 -23.294 -0.032 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.765 -23.578 -1.255 1.00 0.00 S ATOM 0 H CYS A 74 2.116 -21.496 0.792 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.748 -21.801 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.450 -22.944 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.815 -24.244 0.437 1.00 0.00 H new ATOM 1039 N PRO A 75 1.038 -23.100 3.255 1.00 0.00 N ATOM 1040 CA PRO A 75 2.370 -22.522 2.997 1.00 0.00 C ATOM 1041 C PRO A 75 3.096 -23.210 1.844 1.00 0.00 C ATOM 1042 O PRO A 75 2.600 -24.176 1.269 1.00 0.00 O ATOM 1043 CB PRO A 75 3.130 -22.762 4.314 1.00 0.00 C ATOM 1044 CG PRO A 75 2.075 -23.067 5.323 1.00 0.00 C ATOM 1045 CD PRO A 75 0.986 -23.757 4.565 1.00 0.00 C ATOM 0 HA PRO A 75 2.301 -21.473 2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.834 -23.589 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.708 -21.883 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.464 -23.703 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.708 -22.156 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.164 -24.830 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.015 -23.629 5.044 1.00 0.00 H new ATOM 1053 N PRO A 76 4.303 -22.721 1.513 1.00 0.00 N ATOM 1054 CA PRO A 76 5.122 -23.284 0.443 1.00 0.00 C ATOM 1055 C PRO A 76 5.019 -24.801 0.347 1.00 0.00 C ATOM 1056 O PRO A 76 5.212 -25.368 -0.728 1.00 0.00 O ATOM 1057 CB PRO A 76 6.530 -22.866 0.851 1.00 0.00 C ATOM 1058 CG PRO A 76 6.348 -21.562 1.554 1.00 0.00 C ATOM 1059 CD PRO A 76 4.969 -21.586 2.173 1.00 0.00 C ATOM 0 HA PRO A 76 4.812 -22.931 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.990 -23.608 1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.179 -22.760 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.112 -21.426 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.444 -20.730 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.018 -21.725 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.436 -20.652 1.996 1.00 0.00 H new ATOM 1067 N GLY A 77 4.714 -25.455 1.470 1.00 0.00 N ATOM 1068 CA GLY A 77 4.587 -26.903 1.470 1.00 0.00 C ATOM 1069 C GLY A 77 4.009 -27.411 0.167 1.00 0.00 C ATOM 1070 O GLY A 77 4.350 -28.497 -0.300 1.00 0.00 O ATOM 0 H GLY A 77 4.554 -25.009 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.565 -27.355 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.949 -27.213 2.297 1.00 0.00 H new ATOM 1074 N HIS A 78 3.142 -26.599 -0.426 1.00 0.00 N ATOM 1075 CA HIS A 78 2.514 -26.929 -1.695 1.00 0.00 C ATOM 1076 C HIS A 78 3.375 -26.401 -2.850 1.00 0.00 C ATOM 1077 O HIS A 78 4.576 -26.663 -2.897 1.00 0.00 O ATOM 1078 CB HIS A 78 1.102 -26.332 -1.736 1.00 0.00 C ATOM 1079 CG HIS A 78 0.194 -27.005 -2.716 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -1.022 -26.479 -3.100 1.00 0.00 N ATOM 1081 CD2 HIS A 78 0.330 -28.169 -3.396 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -1.595 -27.291 -3.971 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.796 -28.322 -4.169 1.00 0.00 N ATOM 0 H HIS A 78 2.857 -25.698 -0.041 1.00 0.00 H new ATOM 0 HA HIS A 78 2.432 -28.011 -1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.661 -26.396 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.172 -25.273 -1.986 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -1.417 -25.601 -2.764 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.167 -28.849 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.555 -27.137 -4.441 1.00 0.00 H new ATOM 1092 N GLN A 79 2.772 -25.645 -3.767 1.00 0.00 N ATOM 1093 CA GLN A 79 3.505 -25.076 -4.890 1.00 0.00 C ATOM 1094 C GLN A 79 3.003 -23.665 -5.155 1.00 0.00 C ATOM 1095 O GLN A 79 2.346 -23.403 -6.162 1.00 0.00 O ATOM 1096 CB GLN A 79 3.333 -25.944 -6.139 1.00 0.00 C ATOM 1097 CG GLN A 79 4.307 -27.110 -6.207 1.00 0.00 C ATOM 1098 CD GLN A 79 4.001 -28.059 -7.350 1.00 0.00 C ATOM 1099 OE1 GLN A 79 4.083 -29.278 -7.198 1.00 0.00 O ATOM 1100 NE2 GLN A 79 3.648 -27.502 -8.502 1.00 0.00 N ATOM 0 H GLN A 79 1.779 -25.414 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 79 4.566 -25.042 -4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.314 -26.330 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.461 -25.322 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.321 -26.726 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.277 -27.659 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.593 -26.487 -8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.431 -28.089 -9.307 1.00 0.00 H new ATOM 1109 N LEU A 80 3.294 -22.764 -4.222 1.00 0.00 N ATOM 1110 CA LEU A 80 2.848 -21.384 -4.328 1.00 0.00 C ATOM 1111 C LEU A 80 3.855 -20.510 -5.057 1.00 0.00 C ATOM 1112 O LEU A 80 5.027 -20.437 -4.687 1.00 0.00 O ATOM 1113 CB LEU A 80 2.556 -20.821 -2.937 1.00 0.00 C ATOM 1114 CG LEU A 80 1.999 -19.397 -2.892 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.330 -19.020 -4.206 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.016 -19.261 -1.739 1.00 0.00 C ATOM 0 H LEU A 80 3.838 -22.968 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 80 1.933 -21.377 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.846 -21.483 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.477 -20.848 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 80 2.832 -18.712 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.945 -18.002 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.058 -19.081 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.507 -19.707 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.624 -18.244 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.194 -19.964 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.525 -19.477 -0.800 1.00 0.00 H new ATOM 1128 N SER A 81 3.372 -19.840 -6.096 1.00 0.00 N ATOM 1129 CA SER A 81 4.196 -18.952 -6.897 1.00 0.00 C ATOM 1130 C SER A 81 4.780 -17.834 -6.040 1.00 0.00 C ATOM 1131 O SER A 81 4.074 -17.214 -5.245 1.00 0.00 O ATOM 1132 CB SER A 81 3.357 -18.348 -8.021 1.00 0.00 C ATOM 1133 OG SER A 81 2.910 -17.050 -7.671 1.00 0.00 O ATOM 0 H SER A 81 2.401 -19.898 -6.404 1.00 0.00 H new ATOM 0 HA SER A 81 5.017 -19.531 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.947 -18.300 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.500 -18.990 -8.227 1.00 0.00 H new ATOM 0 HG SER A 81 2.130 -17.120 -7.082 1.00 0.00 H new ATOM 1139 N PRO A 82 6.081 -17.560 -6.196 1.00 0.00 N ATOM 1140 CA PRO A 82 6.762 -16.509 -5.440 1.00 0.00 C ATOM 1141 C PRO A 82 5.965 -15.210 -5.404 1.00 0.00 C ATOM 1142 O PRO A 82 5.812 -14.596 -4.348 1.00 0.00 O ATOM 1143 CB PRO A 82 8.063 -16.312 -6.213 1.00 0.00 C ATOM 1144 CG PRO A 82 8.334 -17.639 -6.837 1.00 0.00 C ATOM 1145 CD PRO A 82 6.990 -18.254 -7.127 1.00 0.00 C ATOM 0 HA PRO A 82 6.904 -16.784 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.961 -15.532 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.876 -16.012 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.915 -17.527 -7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.915 -18.272 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.695 -18.100 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.996 -19.330 -6.954 1.00 0.00 H new ATOM 1153 N ASN A 83 5.462 -14.793 -6.562 1.00 0.00 N ATOM 1154 CA ASN A 83 4.685 -13.562 -6.652 1.00 0.00 C ATOM 1155 C ASN A 83 3.789 -13.554 -7.888 1.00 0.00 C ATOM 1156 O ASN A 83 3.532 -12.499 -8.469 1.00 0.00 O ATOM 1157 CB ASN A 83 5.619 -12.350 -6.681 1.00 0.00 C ATOM 1158 CG ASN A 83 6.158 -12.006 -5.308 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.363 -11.833 -5.126 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.265 -11.904 -4.331 1.00 0.00 N ATOM 0 H ASN A 83 5.578 -15.287 -7.447 1.00 0.00 H new ATOM 0 HA ASN A 83 4.046 -13.508 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.451 -12.552 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.083 -11.491 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.568 -11.674 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.275 -12.056 -4.527 1.00 0.00 H new ATOM 1167 N ILE A 84 3.305 -14.728 -8.281 1.00 0.00 N ATOM 1168 CA ILE A 84 2.429 -14.835 -9.443 1.00 0.00 C ATOM 1169 C ILE A 84 0.966 -14.869 -9.010 1.00 0.00 C ATOM 1170 O ILE A 84 0.061 -14.701 -9.827 1.00 0.00 O ATOM 1171 CB ILE A 84 2.741 -16.082 -10.295 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.213 -16.084 -10.723 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.833 -16.126 -11.515 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.186 -16.086 -9.563 1.00 0.00 C ATOM 0 H ILE A 84 3.503 -15.614 -7.815 1.00 0.00 H new ATOM 0 HA ILE A 84 2.611 -13.953 -10.057 1.00 0.00 H new ATOM 0 HB ILE A 84 2.557 -16.971 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.400 -16.960 -11.344 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.403 -15.208 -11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.063 -17.011 -12.108 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.792 -16.166 -11.193 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.992 -15.233 -12.119 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.207 -16.087 -9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.028 -15.196 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.025 -16.976 -8.955 1.00 0.00 H new ATOM 1186 N SER A 85 0.747 -15.065 -7.712 1.00 0.00 N ATOM 1187 CA SER A 85 -0.602 -15.097 -7.153 1.00 0.00 C ATOM 1188 C SER A 85 -1.390 -16.314 -7.628 1.00 0.00 C ATOM 1189 O SER A 85 -2.150 -16.223 -8.592 1.00 0.00 O ATOM 1190 CB SER A 85 -1.354 -13.817 -7.528 1.00 0.00 C ATOM 1191 OG SER A 85 -0.530 -12.935 -8.271 1.00 0.00 O ATOM 0 H SER A 85 1.489 -15.204 -7.026 1.00 0.00 H new ATOM 0 HA SER A 85 -0.505 -15.166 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.239 -14.070 -8.112 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.701 -13.318 -6.623 1.00 0.00 H new ATOM 0 HG SER A 85 -0.603 -13.145 -9.225 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.219 -17.444 -6.932 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.927 -18.683 -7.269 1.00 0.00 C ATOM 1199 C ALA A 86 -1.114 -19.917 -6.888 1.00 0.00 C ATOM 1200 O ALA A 86 -0.187 -20.298 -7.600 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.256 -18.732 -8.754 1.00 0.00 C ATOM 0 H ALA A 86 -0.594 -17.525 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.853 -18.688 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.781 -19.660 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.890 -17.884 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.333 -18.687 -9.333 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.468 -20.547 -5.769 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.762 -21.741 -5.324 1.00 0.00 C ATOM 1209 C CYS A 87 -1.040 -22.917 -6.251 1.00 0.00 C ATOM 1210 O CYS A 87 -2.040 -22.934 -6.969 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.144 -22.105 -3.889 1.00 0.00 C ATOM 1212 SG CYS A 87 0.095 -23.142 -3.041 1.00 0.00 S ATOM 0 H CYS A 87 -2.232 -20.252 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 87 0.305 -21.519 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.290 -21.188 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.099 -22.630 -3.899 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.145 -23.898 -6.232 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.288 -25.080 -7.072 1.00 0.00 C ATOM 1219 C ILE A 88 -0.185 -26.357 -6.247 1.00 0.00 C ATOM 1220 O ILE A 88 -0.752 -27.385 -6.673 1.00 0.00 O ATOM 1221 CB ILE A 88 0.781 -25.110 -8.180 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.939 -23.722 -8.807 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.416 -26.141 -9.237 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.524 -23.749 -10.202 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.465 -26.320 -5.181 1.00 0.00 O ATOM 0 H ILE A 88 0.688 -23.898 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.276 -25.027 -7.530 1.00 0.00 H new ATOM 0 HB ILE A 88 1.736 -25.395 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.036 -23.235 -8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.578 -23.114 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.180 -26.152 -10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.353 -27.127 -8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.547 -25.884 -9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.606 -22.731 -10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.513 -24.207 -10.173 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.875 -24.329 -10.858 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -2.559 20.558 -11.213 1.00 0.00 CA HETATM 1239 CA CA A 102 1.917 -4.362 -0.347 1.00 0.00 CA