USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 Single : A 2 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.307) USER MOD Single : A 4 ASN : amide:sc= 2.03 K(o=2,f=-7.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= 0.0783 (180deg=0.0142) USER MOD Single : A 19 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -160:sc= -0.312 (180deg=-1.26) USER MOD Single : A 26 MET CE :methyl -160:sc= 0 (180deg=-0.258) USER MOD Single : A 27 MET CE :methyl -165:sc= -0.0308 (180deg=-0.335) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.753 K(o=0.75,f=-3.4!) USER MOD Single : A 46 SER OG : rot -44:sc= 1.37 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0269 K(o=-0.027,f=-3.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 60 ASN : amide:sc= -2.91! C(o=-2.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -10.211 5.329 -0.650 1.00 0.00 N ATOM 41 CA LYS A 2 -10.238 4.103 0.129 1.00 0.00 C ATOM 42 C LYS A 2 -9.138 3.164 -0.368 1.00 0.00 C ATOM 43 O LYS A 2 -9.111 2.799 -1.542 1.00 0.00 O ATOM 44 CB LYS A 2 -11.608 3.430 0.038 1.00 0.00 C ATOM 45 CG LYS A 2 -12.208 3.410 -1.361 1.00 0.00 C ATOM 46 CD LYS A 2 -13.671 2.995 -1.331 1.00 0.00 C ATOM 47 CE LYS A 2 -14.590 4.206 -1.256 1.00 0.00 C ATOM 48 NZ LYS A 2 -14.956 4.541 0.147 1.00 0.00 N ATOM 0 HA LYS A 2 -10.058 4.342 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.520 2.405 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.297 3.944 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.118 4.398 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.645 2.720 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.904 2.414 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.850 2.347 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.099 5.063 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.496 4.010 -1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.797 5.152 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.162 3.666 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.165 5.039 0.603 1.00 0.00 H new ATOM 61 N CYS A 3 -8.255 2.799 0.551 1.00 0.00 N ATOM 62 CA CYS A 3 -7.226 1.819 0.252 1.00 0.00 C ATOM 63 C CYS A 3 -7.446 0.599 1.149 1.00 0.00 C ATOM 64 O CYS A 3 -8.198 0.668 2.121 1.00 0.00 O ATOM 65 CB CYS A 3 -5.822 2.403 0.421 1.00 0.00 C ATOM 66 SG CYS A 3 -5.483 3.892 -0.591 1.00 0.00 S ATOM 0 H CYS A 3 -8.232 3.165 1.503 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.302 1.519 -0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.672 2.653 1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.091 1.635 0.168 1.00 0.00 H new ATOM 71 N ASN A 4 -6.779 -0.488 0.792 1.00 0.00 N ATOM 72 CA ASN A 4 -7.081 -1.779 1.387 1.00 0.00 C ATOM 73 C ASN A 4 -6.138 -2.026 2.566 1.00 0.00 C ATOM 74 O ASN A 4 -4.953 -1.700 2.497 1.00 0.00 O ATOM 75 CB ASN A 4 -6.983 -2.905 0.373 1.00 0.00 C ATOM 76 CG ASN A 4 -8.130 -2.943 -0.600 1.00 0.00 C ATOM 77 OD1 ASN A 4 -9.263 -2.574 -0.270 1.00 0.00 O ATOM 78 ND2 ASN A 4 -7.860 -3.466 -1.769 1.00 0.00 N ATOM 0 H ASN A 4 -6.031 -0.502 0.099 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.111 -1.762 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.050 -2.802 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.936 -3.856 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.603 -3.585 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.907 -3.754 -1.991 1.00 0.00 H new ATOM 85 N LYS A 5 -6.699 -2.597 3.620 1.00 0.00 N ATOM 86 CA LYS A 5 -5.893 -3.067 4.735 1.00 0.00 C ATOM 87 C LYS A 5 -5.093 -4.296 4.297 1.00 0.00 C ATOM 88 O LYS A 5 -5.221 -4.753 3.162 1.00 0.00 O ATOM 89 CB LYS A 5 -6.770 -3.395 5.943 1.00 0.00 C ATOM 90 CG LYS A 5 -7.518 -2.200 6.521 1.00 0.00 C ATOM 91 CD LYS A 5 -8.334 -2.595 7.742 1.00 0.00 C ATOM 92 CE LYS A 5 -9.139 -1.419 8.276 1.00 0.00 C ATOM 93 NZ LYS A 5 -9.985 -1.805 9.436 1.00 0.00 N ATOM 0 H LYS A 5 -7.702 -2.746 3.727 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.204 -2.277 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.494 -4.157 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.145 -3.829 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.807 -1.420 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.177 -1.779 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.008 -3.411 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.669 -2.966 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.460 -0.619 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.771 -1.022 7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.517 -0.976 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.651 -2.550 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.380 -2.160 10.204 1.00 0.00 H new ATOM 106 N LEU A 6 -4.285 -4.796 5.220 1.00 0.00 N ATOM 107 CA LEU A 6 -3.715 -6.125 5.076 1.00 0.00 C ATOM 108 C LEU A 6 -4.840 -7.137 4.849 1.00 0.00 C ATOM 109 O LEU A 6 -4.691 -8.069 4.062 1.00 0.00 O ATOM 110 CB LEU A 6 -2.885 -6.493 6.312 1.00 0.00 C ATOM 111 CG LEU A 6 -2.219 -7.875 6.264 1.00 0.00 C ATOM 112 CD1 LEU A 6 -1.300 -7.970 5.054 1.00 0.00 C ATOM 113 CD2 LEU A 6 -1.443 -8.110 7.552 1.00 0.00 C ATOM 0 H LEU A 6 -4.011 -4.305 6.071 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.047 -6.140 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.110 -5.738 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.530 -6.448 7.190 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.985 -8.645 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.832 -8.954 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.881 -7.821 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.528 -7.203 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.970 -9.091 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.677 -7.342 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.125 -8.065 8.401 1.00 0.00 H new ATOM 125 N VAL A 7 -5.940 -6.918 5.555 1.00 0.00 N ATOM 126 CA VAL A 7 -7.154 -7.677 5.304 1.00 0.00 C ATOM 127 C VAL A 7 -7.825 -7.149 4.034 1.00 0.00 C ATOM 128 O VAL A 7 -8.174 -5.972 3.954 1.00 0.00 O ATOM 129 CB VAL A 7 -8.137 -7.593 6.486 1.00 0.00 C ATOM 130 CG1 VAL A 7 -9.418 -8.350 6.168 1.00 0.00 C ATOM 131 CG2 VAL A 7 -7.496 -8.140 7.752 1.00 0.00 C ATOM 0 H VAL A 7 -6.016 -6.226 6.301 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.879 -8.724 5.178 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.388 -6.545 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.101 -8.280 7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.888 -7.916 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.184 -9.397 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.205 -8.073 8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.217 -9.182 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.606 -7.558 7.990 1.00 0.00 H new ATOM 141 N PRO A 8 -7.989 -8.069 3.046 1.00 0.00 N ATOM 142 CA PRO A 8 -8.342 -7.664 1.696 1.00 0.00 C ATOM 143 C PRO A 8 -9.841 -7.382 1.583 1.00 0.00 C ATOM 144 O PRO A 8 -10.319 -6.954 0.534 1.00 0.00 O ATOM 145 CB PRO A 8 -7.907 -8.849 0.827 1.00 0.00 C ATOM 146 CG PRO A 8 -7.950 -10.021 1.748 1.00 0.00 C ATOM 147 CD PRO A 8 -7.530 -9.489 3.092 1.00 0.00 C ATOM 0 HA PRO A 8 -7.858 -6.737 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.577 -8.986 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.906 -8.698 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.951 -10.450 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.279 -10.811 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.998 -10.039 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.452 -9.561 3.236 1.00 0.00 H new ATOM 155 N ILE A 9 -10.543 -7.635 2.679 1.00 0.00 N ATOM 156 CA ILE A 9 -11.980 -7.423 2.712 1.00 0.00 C ATOM 157 C ILE A 9 -12.299 -6.268 3.663 1.00 0.00 C ATOM 158 O ILE A 9 -13.432 -6.135 4.127 1.00 0.00 O ATOM 159 CB ILE A 9 -12.737 -8.688 3.156 1.00 0.00 C ATOM 160 CG1 ILE A 9 -12.300 -9.104 4.563 1.00 0.00 C ATOM 161 CG2 ILE A 9 -12.508 -9.819 2.167 1.00 0.00 C ATOM 162 CD1 ILE A 9 -13.190 -10.153 5.193 1.00 0.00 C ATOM 0 H ILE A 9 -10.143 -7.985 3.550 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.309 -7.181 1.701 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.804 -8.465 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.280 -9.485 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.283 -8.222 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.050 -10.705 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.866 -9.519 1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.443 -10.045 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.817 -10.397 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.207 -9.768 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.188 -11.051 4.575 1.00 0.00 H new ATOM 174 N ALA A 10 -11.281 -5.461 3.928 1.00 0.00 N ATOM 175 CA ALA A 10 -11.454 -4.291 4.771 1.00 0.00 C ATOM 176 C ALA A 10 -10.552 -3.164 4.261 1.00 0.00 C ATOM 177 O ALA A 10 -9.401 -3.401 3.899 1.00 0.00 O ATOM 178 CB ALA A 10 -11.159 -4.661 6.225 1.00 0.00 C ATOM 0 H ALA A 10 -10.334 -5.595 3.573 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.483 -3.935 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.289 -3.783 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.844 -5.445 6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.133 -5.020 6.308 1.00 0.00 H new ATOM 184 N TYR A 11 -11.111 -1.962 4.248 1.00 0.00 N ATOM 185 CA TYR A 11 -10.397 -0.814 3.718 1.00 0.00 C ATOM 186 C TYR A 11 -10.302 0.302 4.762 1.00 0.00 C ATOM 187 O TYR A 11 -11.108 0.358 5.690 1.00 0.00 O ATOM 188 CB TYR A 11 -11.087 -0.297 2.451 1.00 0.00 C ATOM 189 CG TYR A 11 -12.493 0.209 2.682 1.00 0.00 C ATOM 190 CD1 TYR A 11 -12.731 1.545 2.970 1.00 0.00 C ATOM 191 CD2 TYR A 11 -13.578 -0.650 2.608 1.00 0.00 C ATOM 192 CE1 TYR A 11 -14.014 2.013 3.182 1.00 0.00 C ATOM 193 CE2 TYR A 11 -14.865 -0.193 2.817 1.00 0.00 C ATOM 194 CZ TYR A 11 -15.079 1.138 3.104 1.00 0.00 C ATOM 195 OH TYR A 11 -16.359 1.600 3.312 1.00 0.00 O ATOM 0 H TYR A 11 -12.048 -1.759 4.596 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.385 -1.131 3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.487 0.507 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.116 -1.098 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.899 2.231 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.415 -1.694 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.182 3.056 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -15.700 -0.876 2.756 1.00 0.00 H new ATOM 0 HH TYR A 11 -16.993 0.859 3.220 1.00 0.00 H new ATOM 205 N LYS A 12 -9.310 1.161 4.576 1.00 0.00 N ATOM 206 CA LYS A 12 -9.188 2.353 5.398 1.00 0.00 C ATOM 207 C LYS A 12 -9.485 3.588 4.545 1.00 0.00 C ATOM 208 O LYS A 12 -9.221 3.593 3.343 1.00 0.00 O ATOM 209 CB LYS A 12 -7.794 2.446 6.020 1.00 0.00 C ATOM 210 CG LYS A 12 -7.487 1.358 7.041 1.00 0.00 C ATOM 211 CD LYS A 12 -6.111 1.551 7.660 1.00 0.00 C ATOM 212 CE LYS A 12 -5.858 0.546 8.773 1.00 0.00 C ATOM 213 NZ LYS A 12 -4.542 0.767 9.432 1.00 0.00 N ATOM 0 H LYS A 12 -8.583 1.055 3.868 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.909 2.299 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.051 2.401 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.688 3.419 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.245 1.368 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.538 0.381 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.346 1.445 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.027 2.563 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.653 0.619 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.895 -0.464 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.408 0.062 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.781 0.672 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.516 1.722 9.844 1.00 0.00 H new ATOM 226 N THR A 13 -10.029 4.604 5.198 1.00 0.00 N ATOM 227 CA THR A 13 -10.175 5.905 4.570 1.00 0.00 C ATOM 228 C THR A 13 -8.844 6.660 4.593 1.00 0.00 C ATOM 229 O THR A 13 -8.221 6.795 5.646 1.00 0.00 O ATOM 230 CB THR A 13 -11.257 6.751 5.267 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.509 6.054 5.230 1.00 0.00 O ATOM 232 CG2 THR A 13 -11.409 8.097 4.574 1.00 0.00 C ATOM 0 H THR A 13 -10.374 4.552 6.156 1.00 0.00 H new ATOM 0 HA THR A 13 -10.482 5.737 3.538 1.00 0.00 H new ATOM 0 HB THR A 13 -10.957 6.918 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.196 6.592 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.178 8.682 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.461 8.634 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.697 7.941 3.534 1.00 0.00 H new ATOM 240 N CYS A 14 -8.449 7.135 3.421 1.00 0.00 N ATOM 241 CA CYS A 14 -7.140 7.746 3.264 1.00 0.00 C ATOM 242 C CYS A 14 -7.150 9.093 3.990 1.00 0.00 C ATOM 243 O CYS A 14 -8.187 9.748 4.078 1.00 0.00 O ATOM 244 CB CYS A 14 -7.016 7.931 1.751 1.00 0.00 C ATOM 245 SG CYS A 14 -6.802 6.393 0.823 1.00 0.00 S ATOM 0 H CYS A 14 -9.012 7.109 2.571 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.313 7.165 3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.908 8.440 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.169 8.585 1.546 1.00 0.00 H new ATOM 250 N PRO A 15 -5.950 9.478 4.504 1.00 0.00 N ATOM 251 CA PRO A 15 -5.774 10.793 5.091 1.00 0.00 C ATOM 252 C PRO A 15 -5.774 11.880 4.014 1.00 0.00 C ATOM 253 O PRO A 15 -5.467 11.609 2.854 1.00 0.00 O ATOM 254 CB PRO A 15 -4.430 10.698 5.820 1.00 0.00 C ATOM 255 CG PRO A 15 -3.642 9.717 5.019 1.00 0.00 C ATOM 256 CD PRO A 15 -4.646 8.715 4.517 1.00 0.00 C ATOM 0 HA PRO A 15 -6.583 11.069 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.932 11.667 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.559 10.359 6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.128 10.207 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.877 9.236 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.386 8.353 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.700 7.843 5.169 1.00 0.00 H new ATOM 264 N GLU A 16 -6.122 13.086 4.436 1.00 0.00 N ATOM 265 CA GLU A 16 -6.189 14.210 3.517 1.00 0.00 C ATOM 266 C GLU A 16 -4.835 14.420 2.836 1.00 0.00 C ATOM 267 O GLU A 16 -3.793 14.375 3.489 1.00 0.00 O ATOM 268 CB GLU A 16 -6.621 15.481 4.253 1.00 0.00 C ATOM 269 CG GLU A 16 -6.749 16.710 3.363 1.00 0.00 C ATOM 270 CD GLU A 16 -7.201 17.909 4.150 1.00 0.00 C ATOM 271 OE1 GLU A 16 -7.414 17.775 5.331 1.00 0.00 O ATOM 272 OE2 GLU A 16 -7.225 18.983 3.596 1.00 0.00 O ATOM 0 H GLU A 16 -6.361 13.310 5.402 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.932 13.988 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.580 15.297 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.900 15.692 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.789 16.922 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.460 16.509 2.562 1.00 0.00 H new ATOM 280 N GLY A 17 -4.893 14.642 1.531 1.00 0.00 N ATOM 281 CA GLY A 17 -3.694 14.953 0.770 1.00 0.00 C ATOM 282 C GLY A 17 -3.158 13.708 0.061 1.00 0.00 C ATOM 283 O GLY A 17 -2.392 13.815 -0.895 1.00 0.00 O ATOM 0 H GLY A 17 -5.751 14.613 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.915 15.727 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.930 15.354 1.436 1.00 0.00 H new ATOM 287 N LYS A 18 -3.582 12.554 0.557 1.00 0.00 N ATOM 288 CA LYS A 18 -3.182 11.292 -0.041 1.00 0.00 C ATOM 289 C LYS A 18 -4.196 10.900 -1.119 1.00 0.00 C ATOM 290 O LYS A 18 -5.361 11.289 -1.051 1.00 0.00 O ATOM 291 CB LYS A 18 -3.071 10.197 1.022 1.00 0.00 C ATOM 292 CG LYS A 18 -1.923 10.389 2.005 1.00 0.00 C ATOM 293 CD LYS A 18 -1.985 11.756 2.667 1.00 0.00 C ATOM 294 CE LYS A 18 -0.805 12.624 2.257 1.00 0.00 C ATOM 295 NZ LYS A 18 -0.622 13.784 3.173 1.00 0.00 N ATOM 0 H LYS A 18 -4.198 12.467 1.365 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.199 11.409 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.007 10.152 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.950 9.235 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.961 9.611 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.972 10.278 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.916 12.252 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.993 11.637 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.103 12.021 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.957 12.985 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.072 14.523 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.552 14.164 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.114 13.476 4.027 1.00 0.00 H new ATOM 308 N ASN A 19 -3.715 10.137 -2.089 1.00 0.00 N ATOM 309 CA ASN A 19 -4.443 9.959 -3.334 1.00 0.00 C ATOM 310 C ASN A 19 -4.110 8.587 -3.922 1.00 0.00 C ATOM 311 O ASN A 19 -4.937 7.983 -4.606 1.00 0.00 O ATOM 312 CB ASN A 19 -4.137 11.064 -4.328 1.00 0.00 C ATOM 313 CG ASN A 19 -4.849 10.908 -5.643 1.00 0.00 C ATOM 314 OD1 ASN A 19 -6.082 10.946 -5.713 1.00 0.00 O ATOM 315 ND2 ASN A 19 -4.082 10.651 -6.673 1.00 0.00 N ATOM 0 H ASN A 19 -2.829 9.634 -2.038 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.511 10.013 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.411 12.023 -3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.062 11.092 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.498 10.470 -7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.068 10.631 -6.562 1.00 0.00 H new ATOM 322 N LEU A 20 -2.899 8.132 -3.635 1.00 0.00 N ATOM 323 CA LEU A 20 -2.452 6.836 -4.116 1.00 0.00 C ATOM 324 C LEU A 20 -2.690 5.785 -3.031 1.00 0.00 C ATOM 325 O LEU A 20 -2.789 6.118 -1.851 1.00 0.00 O ATOM 326 CB LEU A 20 -0.971 6.889 -4.514 1.00 0.00 C ATOM 327 CG LEU A 20 -0.578 8.073 -5.408 1.00 0.00 C ATOM 328 CD1 LEU A 20 0.884 7.955 -5.816 1.00 0.00 C ATOM 329 CD2 LEU A 20 -1.479 8.105 -6.634 1.00 0.00 C ATOM 0 H LEU A 20 -2.213 8.638 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.022 6.564 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.368 6.923 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.717 5.964 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.704 9.004 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.154 8.799 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.512 7.955 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.035 7.026 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.200 8.946 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.367 7.176 -7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.517 8.216 -6.320 1.00 0.00 H new ATOM 341 N CYS A 21 -2.771 4.537 -3.468 1.00 0.00 N ATOM 342 CA CYS A 21 -2.722 3.416 -2.545 1.00 0.00 C ATOM 343 C CYS A 21 -1.381 2.702 -2.727 1.00 0.00 C ATOM 344 O CYS A 21 -0.916 2.526 -3.851 1.00 0.00 O ATOM 345 CB CYS A 21 -3.906 2.467 -2.744 1.00 0.00 C ATOM 346 SG CYS A 21 -5.551 3.227 -2.491 1.00 0.00 S ATOM 0 H CYS A 21 -2.870 4.277 -4.449 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.802 3.781 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.861 2.060 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.800 1.627 -2.057 1.00 0.00 H new ATOM 351 N TYR A 22 -0.798 2.311 -1.603 1.00 0.00 N ATOM 352 CA TYR A 22 0.495 1.650 -1.622 1.00 0.00 C ATOM 353 C TYR A 22 0.424 0.285 -0.934 1.00 0.00 C ATOM 354 O TYR A 22 -0.391 0.082 -0.035 1.00 0.00 O ATOM 355 CB TYR A 22 1.553 2.528 -0.949 1.00 0.00 C ATOM 356 CG TYR A 22 1.492 2.511 0.562 1.00 0.00 C ATOM 357 CD1 TYR A 22 2.132 1.518 1.290 1.00 0.00 C ATOM 358 CD2 TYR A 22 0.798 3.489 1.257 1.00 0.00 C ATOM 359 CE1 TYR A 22 2.081 1.497 2.670 1.00 0.00 C ATOM 360 CE2 TYR A 22 0.739 3.479 2.638 1.00 0.00 C ATOM 361 CZ TYR A 22 1.383 2.481 3.341 1.00 0.00 C ATOM 362 OH TYR A 22 1.329 2.466 4.716 1.00 0.00 O ATOM 0 H TYR A 22 -1.198 2.440 -0.673 1.00 0.00 H new ATOM 0 HA TYR A 22 0.778 1.492 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.542 2.197 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.434 3.554 -1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.680 0.748 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.295 4.272 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.584 0.716 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.192 4.248 3.164 1.00 0.00 H new ATOM 0 HH TYR A 22 0.799 3.228 5.031 1.00 0.00 H new ATOM 372 N LYS A 23 1.287 -0.614 -1.384 1.00 0.00 N ATOM 373 CA LYS A 23 1.488 -1.872 -0.685 1.00 0.00 C ATOM 374 C LYS A 23 2.987 -2.141 -0.546 1.00 0.00 C ATOM 375 O LYS A 23 3.760 -1.845 -1.457 1.00 0.00 O ATOM 376 CB LYS A 23 0.799 -3.022 -1.422 1.00 0.00 C ATOM 377 CG LYS A 23 1.272 -3.224 -2.855 1.00 0.00 C ATOM 378 CD LYS A 23 0.660 -4.473 -3.470 1.00 0.00 C ATOM 379 CE LYS A 23 -0.853 -4.488 -3.304 1.00 0.00 C ATOM 380 NZ LYS A 23 -1.479 -5.641 -4.007 1.00 0.00 N ATOM 0 H LYS A 23 1.855 -0.496 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 23 1.042 -1.802 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.963 -3.944 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.276 -2.841 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.005 -2.353 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.359 -3.303 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.912 -4.520 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.088 -5.359 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.101 -4.532 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.270 -3.558 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.509 -5.614 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.264 -5.586 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.101 -6.530 -3.621 1.00 0.00 H new ATOM 393 N MET A 24 3.354 -2.695 0.600 1.00 0.00 N ATOM 394 CA MET A 24 4.754 -2.944 0.898 1.00 0.00 C ATOM 395 C MET A 24 5.048 -4.445 0.939 1.00 0.00 C ATOM 396 O MET A 24 4.262 -5.219 1.483 1.00 0.00 O ATOM 397 CB MET A 24 5.132 -2.289 2.224 1.00 0.00 C ATOM 398 CG MET A 24 4.951 -0.778 2.255 1.00 0.00 C ATOM 399 SD MET A 24 5.704 -0.017 3.707 1.00 0.00 S ATOM 400 CE MET A 24 4.630 -0.627 5.004 1.00 0.00 C ATOM 0 H MET A 24 2.705 -2.979 1.334 1.00 0.00 H new ATOM 0 HA MET A 24 5.357 -2.506 0.103 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.530 -2.731 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.173 -2.522 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.388 -0.345 1.355 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.887 -0.543 2.237 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.726 0.008 5.885 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.597 -0.613 4.657 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.913 -1.648 5.260 1.00 0.00 H new ATOM 410 N PHE A 25 6.182 -4.810 0.360 1.00 0.00 N ATOM 411 CA PHE A 25 6.640 -6.187 0.415 1.00 0.00 C ATOM 412 C PHE A 25 7.925 -6.306 1.236 1.00 0.00 C ATOM 413 O PHE A 25 8.554 -5.299 1.561 1.00 0.00 O ATOM 414 CB PHE A 25 6.928 -6.621 -1.025 1.00 0.00 C ATOM 415 CG PHE A 25 5.701 -6.591 -1.940 1.00 0.00 C ATOM 416 CD1 PHE A 25 5.032 -7.743 -2.216 1.00 0.00 C ATOM 417 CD2 PHE A 25 5.280 -5.415 -2.477 1.00 0.00 C ATOM 418 CE1 PHE A 25 3.894 -7.716 -3.065 1.00 0.00 C ATOM 419 CE2 PHE A 25 4.142 -5.389 -3.325 1.00 0.00 C ATOM 420 CZ PHE A 25 3.473 -6.539 -3.602 1.00 0.00 C ATOM 0 H PHE A 25 6.797 -4.176 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 25 5.881 -6.812 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.697 -5.971 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.336 -7.632 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.366 -8.677 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.811 -4.501 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.362 -8.630 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.807 -4.454 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.608 -6.519 -4.248 1.00 0.00 H new ATOM 430 N MET A 26 8.277 -7.544 1.549 1.00 0.00 N ATOM 431 CA MET A 26 9.615 -7.842 2.032 1.00 0.00 C ATOM 432 C MET A 26 10.344 -8.791 1.079 1.00 0.00 C ATOM 433 O MET A 26 9.735 -9.700 0.516 1.00 0.00 O ATOM 434 CB MET A 26 9.545 -8.443 3.435 1.00 0.00 C ATOM 435 CG MET A 26 8.972 -7.509 4.491 1.00 0.00 C ATOM 436 SD MET A 26 8.884 -8.275 6.122 1.00 0.00 S ATOM 437 CE MET A 26 8.176 -6.941 7.085 1.00 0.00 C ATOM 0 H MET A 26 7.659 -8.353 1.478 1.00 0.00 H new ATOM 0 HA MET A 26 10.179 -6.910 2.075 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.938 -9.348 3.400 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.548 -8.744 3.739 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.587 -6.611 4.548 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.974 -7.193 4.188 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.380 -7.107 8.143 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.618 -5.994 6.775 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.098 -6.909 6.925 1.00 0.00 H new ATOM 447 N MET A 27 11.637 -8.550 0.928 1.00 0.00 N ATOM 448 CA MET A 27 12.425 -9.275 -0.054 1.00 0.00 C ATOM 449 C MET A 27 12.165 -10.780 0.038 1.00 0.00 C ATOM 450 O MET A 27 12.283 -11.495 -0.956 1.00 0.00 O ATOM 451 CB MET A 27 13.911 -8.978 0.141 1.00 0.00 C ATOM 452 CG MET A 27 14.347 -7.604 -0.350 1.00 0.00 C ATOM 453 SD MET A 27 14.063 -7.374 -2.116 1.00 0.00 S ATOM 454 CE MET A 27 15.241 -8.534 -2.802 1.00 0.00 C ATOM 0 H MET A 27 12.160 -7.862 1.470 1.00 0.00 H new ATOM 0 HA MET A 27 12.126 -8.941 -1.047 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.150 -9.065 1.201 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.493 -9.738 -0.380 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.806 -6.836 0.204 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.407 -7.465 -0.135 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.381 -8.326 -3.863 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.195 -8.433 -2.284 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.866 -9.550 -2.678 1.00 0.00 H new ATOM 464 N SER A 28 11.811 -11.215 1.239 1.00 0.00 N ATOM 465 CA SER A 28 11.347 -12.578 1.434 1.00 0.00 C ATOM 466 C SER A 28 10.079 -12.821 0.612 1.00 0.00 C ATOM 467 O SER A 28 10.127 -13.470 -0.432 1.00 0.00 O ATOM 468 CB SER A 28 11.095 -12.842 2.906 1.00 0.00 C ATOM 469 OG SER A 28 10.636 -14.146 3.136 1.00 0.00 O ATOM 0 H SER A 28 11.836 -10.648 2.086 1.00 0.00 H new ATOM 0 HA SER A 28 12.118 -13.269 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.016 -12.678 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.362 -12.128 3.282 1.00 0.00 H new ATOM 0 HG SER A 28 10.488 -14.276 4.096 1.00 0.00 H new ATOM 475 N ASP A 29 8.976 -12.286 1.114 1.00 0.00 N ATOM 476 CA ASP A 29 7.681 -12.529 0.502 1.00 0.00 C ATOM 477 C ASP A 29 7.391 -11.427 -0.520 1.00 0.00 C ATOM 478 O ASP A 29 6.731 -10.437 -0.203 1.00 0.00 O ATOM 479 CB ASP A 29 6.579 -12.587 1.561 1.00 0.00 C ATOM 480 CG ASP A 29 5.213 -12.998 1.027 1.00 0.00 C ATOM 481 OD1 ASP A 29 5.113 -13.269 -0.146 1.00 0.00 O ATOM 482 OD2 ASP A 29 4.320 -13.190 1.819 1.00 0.00 O ATOM 0 H ASP A 29 8.952 -11.685 1.938 1.00 0.00 H new ATOM 0 HA ASP A 29 7.702 -13.494 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.877 -13.289 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.492 -11.607 2.031 1.00 0.00 H new ATOM 488 N LEU A 30 7.897 -11.635 -1.727 1.00 0.00 N ATOM 489 CA LEU A 30 7.618 -10.723 -2.822 1.00 0.00 C ATOM 490 C LEU A 30 6.219 -11.007 -3.374 1.00 0.00 C ATOM 491 O LEU A 30 5.623 -10.158 -4.035 1.00 0.00 O ATOM 492 CB LEU A 30 8.680 -10.859 -3.920 1.00 0.00 C ATOM 493 CG LEU A 30 9.899 -9.940 -3.766 1.00 0.00 C ATOM 494 CD1 LEU A 30 9.831 -9.203 -2.436 1.00 0.00 C ATOM 495 CD2 LEU A 30 11.174 -10.766 -3.859 1.00 0.00 C ATOM 0 H LEU A 30 8.499 -12.422 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 30 7.651 -9.697 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.025 -11.893 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.212 -10.657 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 30 9.901 -9.201 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.700 -8.553 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.922 -8.602 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.822 -9.925 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.040 -10.113 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.181 -11.514 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.215 -11.264 -4.828 1.00 0.00 H new ATOM 507 N THR A 31 5.735 -12.205 -3.082 1.00 0.00 N ATOM 508 CA THR A 31 4.493 -12.676 -3.673 1.00 0.00 C ATOM 509 C THR A 31 3.299 -11.947 -3.055 1.00 0.00 C ATOM 510 O THR A 31 2.385 -11.533 -3.765 1.00 0.00 O ATOM 511 CB THR A 31 4.318 -14.195 -3.489 1.00 0.00 C ATOM 512 OG1 THR A 31 5.416 -14.883 -4.102 1.00 0.00 O ATOM 513 CG2 THR A 31 3.016 -14.662 -4.120 1.00 0.00 C ATOM 0 H THR A 31 6.180 -12.864 -2.444 1.00 0.00 H new ATOM 0 HA THR A 31 4.539 -12.463 -4.741 1.00 0.00 H new ATOM 0 HB THR A 31 4.292 -14.416 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.304 -15.849 -3.983 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.909 -15.738 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.178 -14.150 -3.647 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.026 -14.434 -5.186 1.00 0.00 H new ATOM 521 N ILE A 32 3.344 -11.815 -1.736 1.00 0.00 N ATOM 522 CA ILE A 32 2.239 -11.218 -1.005 1.00 0.00 C ATOM 523 C ILE A 32 2.758 -10.042 -0.176 1.00 0.00 C ATOM 524 O ILE A 32 3.679 -10.198 0.622 1.00 0.00 O ATOM 525 CB ILE A 32 1.510 -12.279 -0.179 1.00 0.00 C ATOM 526 CG1 ILE A 32 0.924 -13.368 -1.079 1.00 0.00 C ATOM 527 CG2 ILE A 32 0.445 -11.640 0.716 1.00 0.00 C ATOM 528 CD1 ILE A 32 -0.152 -12.797 -2.002 1.00 0.00 C ATOM 0 H ILE A 32 4.129 -12.111 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 32 1.496 -10.818 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 32 2.236 -12.760 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.718 -13.818 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.498 -14.161 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.059 -12.416 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.918 -10.932 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.284 -11.117 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.552 -13.593 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.956 -12.370 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.283 -12.021 -2.632 1.00 0.00 H new ATOM 540 N PRO A 33 2.126 -8.857 -0.403 1.00 0.00 N ATOM 541 CA PRO A 33 2.459 -7.673 0.369 1.00 0.00 C ATOM 542 C PRO A 33 2.030 -7.832 1.829 1.00 0.00 C ATOM 543 O PRO A 33 1.141 -8.626 2.136 1.00 0.00 O ATOM 544 CB PRO A 33 1.702 -6.544 -0.339 1.00 0.00 C ATOM 545 CG PRO A 33 0.543 -7.222 -0.985 1.00 0.00 C ATOM 546 CD PRO A 33 1.051 -8.578 -1.396 1.00 0.00 C ATOM 0 HA PRO A 33 3.531 -7.478 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.373 -5.782 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.331 -6.045 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.296 -7.310 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.188 -6.657 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.264 -9.331 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.437 -8.571 -2.415 1.00 0.00 H new ATOM 554 N VAL A 34 2.679 -7.065 2.690 1.00 0.00 N ATOM 555 CA VAL A 34 2.626 -7.329 4.119 1.00 0.00 C ATOM 556 C VAL A 34 1.916 -6.171 4.822 1.00 0.00 C ATOM 557 O VAL A 34 1.416 -6.327 5.935 1.00 0.00 O ATOM 558 CB VAL A 34 4.030 -7.519 4.722 1.00 0.00 C ATOM 559 CG1 VAL A 34 4.746 -8.679 4.047 1.00 0.00 C ATOM 560 CG2 VAL A 34 4.845 -6.242 4.589 1.00 0.00 C ATOM 0 H VAL A 34 3.246 -6.259 2.427 1.00 0.00 H new ATOM 0 HA VAL A 34 2.075 -8.257 4.269 1.00 0.00 H new ATOM 0 HB VAL A 34 3.921 -7.749 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.737 -8.799 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.172 -9.594 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.843 -8.476 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.834 -6.395 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.945 -5.982 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.341 -5.432 5.116 1.00 0.00 H new ATOM 570 N LYS A 35 1.892 -5.033 4.142 1.00 0.00 N ATOM 571 CA LYS A 35 1.198 -3.867 4.660 1.00 0.00 C ATOM 572 C LYS A 35 0.672 -3.031 3.492 1.00 0.00 C ATOM 573 O LYS A 35 1.302 -2.968 2.436 1.00 0.00 O ATOM 574 CB LYS A 35 2.121 -3.033 5.551 1.00 0.00 C ATOM 575 CG LYS A 35 2.476 -3.690 6.878 1.00 0.00 C ATOM 576 CD LYS A 35 3.108 -2.693 7.837 1.00 0.00 C ATOM 577 CE LYS A 35 2.057 -1.803 8.484 1.00 0.00 C ATOM 578 NZ LYS A 35 2.632 -0.959 9.567 1.00 0.00 N ATOM 0 H LYS A 35 2.342 -4.895 3.237 1.00 0.00 H new ATOM 0 HA LYS A 35 0.359 -4.196 5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.041 -2.824 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.644 -2.074 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.578 -4.112 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.164 -4.517 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.659 -3.228 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.829 -2.076 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.607 -1.163 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.259 -2.423 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.883 -0.368 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.039 -1.570 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.376 -0.349 9.173 1.00 0.00 H new ATOM 591 N ARG A 36 -0.477 -2.411 3.719 1.00 0.00 N ATOM 592 CA ARG A 36 -1.103 -1.593 2.693 1.00 0.00 C ATOM 593 C ARG A 36 -1.805 -0.393 3.326 1.00 0.00 C ATOM 594 O ARG A 36 -2.309 -0.483 4.444 1.00 0.00 O ATOM 595 CB ARG A 36 -2.042 -2.399 1.808 1.00 0.00 C ATOM 596 CG ARG A 36 -1.377 -3.513 1.015 1.00 0.00 C ATOM 597 CD ARG A 36 -1.487 -4.857 1.637 1.00 0.00 C ATOM 598 NE ARG A 36 -2.849 -5.357 1.753 1.00 0.00 N ATOM 599 CZ ARG A 36 -3.479 -6.083 0.810 1.00 0.00 C ATOM 600 NH1 ARG A 36 -2.894 -6.363 -0.333 1.00 0.00 N ATOM 601 NH2 ARG A 36 -4.714 -6.485 1.054 1.00 0.00 N ATOM 0 H ARG A 36 -0.991 -2.459 4.599 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.316 -1.219 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.822 -2.834 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.533 -1.720 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.820 -3.549 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.322 -3.271 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.902 -5.565 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.040 -4.822 2.631 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.362 -5.143 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.948 -6.029 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.386 -6.914 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.164 -6.244 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.217 -7.036 0.359 1.00 0.00 H new ATOM 614 N GLY A 37 -1.818 0.705 2.585 1.00 0.00 N ATOM 615 CA GLY A 37 -2.400 1.940 3.085 1.00 0.00 C ATOM 616 C GLY A 37 -2.468 2.998 1.982 1.00 0.00 C ATOM 617 O GLY A 37 -2.339 2.680 0.800 1.00 0.00 O ATOM 0 H GLY A 37 -1.435 0.766 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.401 1.745 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.806 2.315 3.918 1.00 0.00 H new ATOM 621 N CYS A 38 -2.670 4.237 2.408 1.00 0.00 N ATOM 622 CA CYS A 38 -2.757 5.345 1.472 1.00 0.00 C ATOM 623 C CYS A 38 -1.452 6.139 1.544 1.00 0.00 C ATOM 624 O CYS A 38 -0.758 6.110 2.560 1.00 0.00 O ATOM 625 CB CYS A 38 -3.977 6.225 1.750 1.00 0.00 C ATOM 626 SG CYS A 38 -5.545 5.312 1.987 1.00 0.00 S ATOM 0 H CYS A 38 -2.776 4.497 3.388 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.891 4.961 0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.782 6.821 2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.101 6.922 0.921 1.00 0.00 H new ATOM 631 N ILE A 39 -1.155 6.829 0.453 1.00 0.00 N ATOM 632 CA ILE A 39 -0.062 7.788 0.447 1.00 0.00 C ATOM 633 C ILE A 39 -0.240 8.751 -0.727 1.00 0.00 C ATOM 634 O ILE A 39 -0.971 8.456 -1.672 1.00 0.00 O ATOM 635 CB ILE A 39 1.309 7.095 0.348 1.00 0.00 C ATOM 636 CG1 ILE A 39 2.430 8.077 0.698 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.516 6.520 -1.044 1.00 0.00 C ATOM 638 CD1 ILE A 39 3.719 7.409 1.118 1.00 0.00 C ATOM 0 H ILE A 39 -1.652 6.744 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.088 8.334 1.390 1.00 0.00 H new ATOM 0 HB ILE A 39 1.335 6.274 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.626 8.713 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.091 8.729 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.490 6.034 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.735 5.790 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.472 7.323 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.464 8.170 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.540 6.796 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.084 6.779 0.307 1.00 0.00 H new ATOM 650 N ASP A 40 0.440 9.883 -0.632 1.00 0.00 N ATOM 651 CA ASP A 40 0.357 10.896 -1.671 1.00 0.00 C ATOM 652 C ASP A 40 1.442 10.637 -2.718 1.00 0.00 C ATOM 653 O ASP A 40 1.155 10.577 -3.912 1.00 0.00 O ATOM 654 CB ASP A 40 0.502 12.299 -1.077 1.00 0.00 C ATOM 655 CG ASP A 40 1.708 12.477 -0.167 1.00 0.00 C ATOM 656 OD1 ASP A 40 2.337 11.495 0.152 1.00 0.00 O ATOM 657 OD2 ASP A 40 2.086 13.598 0.075 1.00 0.00 O ATOM 0 H ASP A 40 1.051 10.122 0.149 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.622 10.839 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.568 13.020 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.401 12.536 -0.514 1.00 0.00 H new ATOM 663 N VAL A 41 2.665 10.487 -2.232 1.00 0.00 N ATOM 664 CA VAL A 41 3.809 10.340 -3.115 1.00 0.00 C ATOM 665 C VAL A 41 4.400 8.939 -2.950 1.00 0.00 C ATOM 666 O VAL A 41 4.731 8.528 -1.839 1.00 0.00 O ATOM 667 CB VAL A 41 4.893 11.397 -2.832 1.00 0.00 C ATOM 668 CG1 VAL A 41 6.079 11.207 -3.767 1.00 0.00 C ATOM 669 CG2 VAL A 41 4.321 12.799 -2.978 1.00 0.00 C ATOM 0 H VAL A 41 2.889 10.464 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 41 3.465 10.486 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 41 5.238 11.270 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.835 11.962 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.505 10.215 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.747 11.308 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.101 13.533 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.949 12.936 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.503 12.934 -2.271 1.00 0.00 H new ATOM 679 N CYS A 42 4.512 8.243 -4.071 1.00 0.00 N ATOM 680 CA CYS A 42 4.908 6.844 -4.048 1.00 0.00 C ATOM 681 C CYS A 42 6.382 6.768 -3.648 1.00 0.00 C ATOM 682 O CYS A 42 7.241 7.342 -4.316 1.00 0.00 O ATOM 683 CB CYS A 42 4.646 6.160 -5.391 1.00 0.00 C ATOM 684 SG CYS A 42 4.905 4.349 -5.394 1.00 0.00 S ATOM 0 H CYS A 42 4.336 8.621 -5.002 1.00 0.00 H new ATOM 0 HA CYS A 42 4.306 6.305 -3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.619 6.366 -5.694 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.296 6.607 -6.143 1.00 0.00 H new ATOM 689 N PRO A 43 6.637 6.039 -2.530 1.00 0.00 N ATOM 690 CA PRO A 43 7.993 5.879 -2.032 1.00 0.00 C ATOM 691 C PRO A 43 8.802 4.947 -2.936 1.00 0.00 C ATOM 692 O PRO A 43 8.283 3.943 -3.421 1.00 0.00 O ATOM 693 CB PRO A 43 7.807 5.305 -0.624 1.00 0.00 C ATOM 694 CG PRO A 43 6.498 4.594 -0.682 1.00 0.00 C ATOM 695 CD PRO A 43 5.652 5.394 -1.636 1.00 0.00 C ATOM 0 HA PRO A 43 8.555 6.813 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.617 4.625 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.798 6.094 0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.622 3.569 -1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.036 4.541 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.965 4.756 -2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.046 6.132 -1.110 1.00 0.00 H new ATOM 703 N LYS A 44 10.060 5.311 -3.135 1.00 0.00 N ATOM 704 CA LYS A 44 10.943 4.525 -3.980 1.00 0.00 C ATOM 705 C LYS A 44 11.263 3.201 -3.285 1.00 0.00 C ATOM 706 O LYS A 44 11.130 3.086 -2.067 1.00 0.00 O ATOM 707 CB LYS A 44 12.226 5.297 -4.294 1.00 0.00 C ATOM 708 CG LYS A 44 12.020 6.540 -5.149 1.00 0.00 C ATOM 709 CD LYS A 44 13.335 7.260 -5.405 1.00 0.00 C ATOM 710 CE LYS A 44 13.140 8.467 -6.310 1.00 0.00 C ATOM 711 NZ LYS A 44 14.418 9.186 -6.564 1.00 0.00 N ATOM 0 H LYS A 44 10.489 6.141 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 44 10.442 4.320 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.698 5.590 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.921 4.630 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.566 6.259 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.324 7.215 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.767 7.580 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.046 6.571 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.711 8.143 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.424 9.150 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.240 10.001 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.815 9.518 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.093 8.542 -7.023 1.00 0.00 H new ATOM 724 N ASN A 45 11.677 2.233 -4.088 1.00 0.00 N ATOM 725 CA ASN A 45 11.898 0.888 -3.587 1.00 0.00 C ATOM 726 C ASN A 45 13.189 0.860 -2.765 1.00 0.00 C ATOM 727 O ASN A 45 14.156 1.546 -3.096 1.00 0.00 O ATOM 728 CB ASN A 45 11.949 -0.132 -4.709 1.00 0.00 C ATOM 729 CG ASN A 45 10.634 -0.325 -5.412 1.00 0.00 C ATOM 730 OD1 ASN A 45 9.562 -0.088 -4.843 1.00 0.00 O ATOM 731 ND2 ASN A 45 10.705 -0.832 -6.616 1.00 0.00 N ATOM 0 H ASN A 45 11.865 2.354 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 45 11.056 0.614 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.698 0.180 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.278 -1.089 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.851 -1.050 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.615 -1.009 -7.042 1.00 0.00 H new ATOM 738 N SER A 46 13.165 0.060 -1.709 1.00 0.00 N ATOM 739 CA SER A 46 14.335 -0.098 -0.862 1.00 0.00 C ATOM 740 C SER A 46 14.906 -1.508 -1.017 1.00 0.00 C ATOM 741 O SER A 46 14.343 -2.336 -1.730 1.00 0.00 O ATOM 742 CB SER A 46 13.979 0.186 0.585 1.00 0.00 C ATOM 743 OG SER A 46 13.124 -0.788 1.117 1.00 0.00 O ATOM 0 H SER A 46 12.353 -0.486 -1.421 1.00 0.00 H new ATOM 0 HA SER A 46 15.097 0.618 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.891 0.232 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.503 1.164 0.656 1.00 0.00 H new ATOM 0 HG SER A 46 12.417 -0.992 0.470 1.00 0.00 H new ATOM 749 N LEU A 47 16.019 -1.739 -0.336 1.00 0.00 N ATOM 750 CA LEU A 47 16.715 -3.010 -0.448 1.00 0.00 C ATOM 751 C LEU A 47 15.963 -4.070 0.359 1.00 0.00 C ATOM 752 O LEU A 47 16.027 -5.257 0.042 1.00 0.00 O ATOM 753 CB LEU A 47 18.165 -2.876 0.038 1.00 0.00 C ATOM 754 CG LEU A 47 19.044 -1.927 -0.788 1.00 0.00 C ATOM 755 CD1 LEU A 47 20.413 -1.784 -0.135 1.00 0.00 C ATOM 756 CD2 LEU A 47 19.175 -2.460 -2.206 1.00 0.00 C ATOM 0 H LEU A 47 16.456 -1.068 0.295 1.00 0.00 H new ATOM 0 HA LEU A 47 16.744 -3.315 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.155 -2.529 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.625 -3.864 0.038 1.00 0.00 H new ATOM 0 HG LEU A 47 18.580 -0.941 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.030 -1.109 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.296 -1.380 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.894 -2.761 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.799 -1.786 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.632 -3.449 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.187 -2.528 -2.662 1.00 0.00 H new ATOM 768 N LEU A 48 15.268 -3.604 1.387 1.00 0.00 N ATOM 769 CA LEU A 48 14.650 -4.506 2.343 1.00 0.00 C ATOM 770 C LEU A 48 13.190 -4.735 1.951 1.00 0.00 C ATOM 771 O LEU A 48 12.724 -5.872 1.911 1.00 0.00 O ATOM 772 CB LEU A 48 14.755 -3.941 3.765 1.00 0.00 C ATOM 773 CG LEU A 48 16.185 -3.749 4.287 1.00 0.00 C ATOM 774 CD1 LEU A 48 16.155 -3.110 5.670 1.00 0.00 C ATOM 775 CD2 LEU A 48 16.894 -5.095 4.331 1.00 0.00 C ATOM 0 H LEU A 48 15.120 -2.613 1.578 1.00 0.00 H new ATOM 0 HA LEU A 48 15.174 -5.461 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.242 -2.980 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.224 -4.608 4.444 1.00 0.00 H new ATOM 0 HG LEU A 48 16.731 -3.085 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.175 -2.978 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.662 -2.140 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.607 -3.755 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.910 -4.959 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.353 -5.770 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.928 -5.521 3.328 1.00 0.00 H new ATOM 787 N VAL A 49 12.505 -3.634 1.669 1.00 0.00 N ATOM 788 CA VAL A 49 11.086 -3.693 1.366 1.00 0.00 C ATOM 789 C VAL A 49 10.832 -3.030 0.011 1.00 0.00 C ATOM 790 O VAL A 49 11.520 -2.081 -0.359 1.00 0.00 O ATOM 791 CB VAL A 49 10.238 -3.004 2.451 1.00 0.00 C ATOM 792 CG1 VAL A 49 10.355 -3.750 3.772 1.00 0.00 C ATOM 793 CG2 VAL A 49 10.664 -1.554 2.619 1.00 0.00 C ATOM 0 H VAL A 49 12.908 -2.697 1.644 1.00 0.00 H new ATOM 0 HA VAL A 49 10.790 -4.741 1.335 1.00 0.00 H new ATOM 0 HB VAL A 49 9.195 -3.022 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.749 -3.249 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.003 -4.774 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.397 -3.762 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.054 -1.083 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.713 -1.515 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.530 -1.024 1.676 1.00 0.00 H new ATOM 803 N LYS A 50 9.841 -3.557 -0.695 1.00 0.00 N ATOM 804 CA LYS A 50 9.483 -3.025 -1.998 1.00 0.00 C ATOM 805 C LYS A 50 8.160 -2.265 -1.887 1.00 0.00 C ATOM 806 O LYS A 50 7.286 -2.644 -1.110 1.00 0.00 O ATOM 807 CB LYS A 50 9.381 -4.144 -3.035 1.00 0.00 C ATOM 808 CG LYS A 50 8.976 -3.678 -4.426 1.00 0.00 C ATOM 809 CD LYS A 50 8.848 -4.850 -5.388 1.00 0.00 C ATOM 810 CE LYS A 50 8.388 -4.392 -6.763 1.00 0.00 C ATOM 811 NZ LYS A 50 8.203 -5.534 -7.699 1.00 0.00 N ATOM 0 H LYS A 50 9.275 -4.348 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 50 10.263 -2.340 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.344 -4.650 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.657 -4.880 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.027 -3.145 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.716 -2.973 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.808 -5.358 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.139 -5.575 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.450 -3.846 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.120 -3.699 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.889 -5.177 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.104 -6.041 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.486 -6.183 -7.317 1.00 0.00 H new ATOM 824 N TYR A 51 8.053 -1.207 -2.677 1.00 0.00 N ATOM 825 CA TYR A 51 6.868 -0.368 -2.648 1.00 0.00 C ATOM 826 C TYR A 51 6.149 -0.388 -3.999 1.00 0.00 C ATOM 827 O TYR A 51 6.757 -0.130 -5.035 1.00 0.00 O ATOM 828 CB TYR A 51 7.242 1.067 -2.268 1.00 0.00 C ATOM 829 CG TYR A 51 7.849 1.198 -0.888 1.00 0.00 C ATOM 830 CD1 TYR A 51 9.219 1.092 -0.701 1.00 0.00 C ATOM 831 CD2 TYR A 51 7.050 1.428 0.221 1.00 0.00 C ATOM 832 CE1 TYR A 51 9.780 1.210 0.557 1.00 0.00 C ATOM 833 CE2 TYR A 51 7.600 1.548 1.483 1.00 0.00 C ATOM 834 CZ TYR A 51 8.965 1.438 1.647 1.00 0.00 C ATOM 835 OH TYR A 51 9.518 1.558 2.902 1.00 0.00 O ATOM 0 H TYR A 51 8.768 -0.912 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 51 6.188 -0.767 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.948 1.455 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.350 1.691 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.859 0.914 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.981 1.515 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.849 1.124 0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.964 1.727 2.337 1.00 0.00 H new ATOM 0 HH TYR A 51 8.808 1.717 3.558 1.00 0.00 H new ATOM 845 N VAL A 52 4.863 -0.701 -3.941 1.00 0.00 N ATOM 846 CA VAL A 52 4.021 -0.626 -5.125 1.00 0.00 C ATOM 847 C VAL A 52 2.819 0.274 -4.835 1.00 0.00 C ATOM 848 O VAL A 52 2.131 0.091 -3.833 1.00 0.00 O ATOM 849 CB VAL A 52 3.533 -2.017 -5.571 1.00 0.00 C ATOM 850 CG1 VAL A 52 2.672 -1.903 -6.820 1.00 0.00 C ATOM 851 CG2 VAL A 52 4.715 -2.942 -5.823 1.00 0.00 C ATOM 0 H VAL A 52 4.383 -1.007 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 52 4.617 -0.209 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 52 2.927 -2.442 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.335 -2.895 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.807 -1.275 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.256 -1.458 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.351 -3.920 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.346 -2.521 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.296 -3.048 -4.907 1.00 0.00 H new ATOM 861 N CYS A 53 2.604 1.226 -5.729 1.00 0.00 N ATOM 862 CA CYS A 53 1.510 2.172 -5.569 1.00 0.00 C ATOM 863 C CYS A 53 0.593 2.055 -6.787 1.00 0.00 C ATOM 864 O CYS A 53 1.030 1.643 -7.861 1.00 0.00 O ATOM 865 CB CYS A 53 2.023 3.600 -5.373 1.00 0.00 C ATOM 866 SG CYS A 53 3.398 3.767 -4.178 1.00 0.00 S ATOM 0 H CYS A 53 3.168 1.364 -6.568 1.00 0.00 H new ATOM 0 HA CYS A 53 0.946 1.933 -4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.350 3.989 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.195 4.226 -5.041 1.00 0.00 H new ATOM 871 N CYS A 54 -0.661 2.427 -6.581 1.00 0.00 N ATOM 872 CA CYS A 54 -1.618 2.471 -7.673 1.00 0.00 C ATOM 873 C CYS A 54 -2.659 3.547 -7.357 1.00 0.00 C ATOM 874 O CYS A 54 -3.033 3.733 -6.199 1.00 0.00 O ATOM 875 CB CYS A 54 -2.263 1.107 -7.915 1.00 0.00 C ATOM 876 SG CYS A 54 -2.792 0.226 -6.401 1.00 0.00 S ATOM 0 H CYS A 54 -1.037 2.701 -5.673 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.104 2.726 -8.600 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.130 1.241 -8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.556 0.478 -8.456 1.00 0.00 H new ATOM 881 N ASN A 55 -3.100 4.228 -8.405 1.00 0.00 N ATOM 882 CA ASN A 55 -3.722 5.530 -8.244 1.00 0.00 C ATOM 883 C ASN A 55 -5.243 5.376 -8.319 1.00 0.00 C ATOM 884 O ASN A 55 -5.939 6.272 -8.794 1.00 0.00 O ATOM 885 CB ASN A 55 -3.228 6.524 -9.279 1.00 0.00 C ATOM 886 CG ASN A 55 -3.548 6.133 -10.694 1.00 0.00 C ATOM 887 OD1 ASN A 55 -3.984 5.009 -10.966 1.00 0.00 O ATOM 888 ND2 ASN A 55 -3.255 7.026 -11.606 1.00 0.00 N ATOM 0 H ASN A 55 -3.038 3.901 -9.369 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.444 5.927 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.669 7.499 -9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.148 6.634 -9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.384 6.807 -12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.898 7.940 -11.328 1.00 0.00 H new ATOM 895 N THR A 56 -5.714 4.233 -7.844 1.00 0.00 N ATOM 896 CA THR A 56 -7.144 3.989 -7.760 1.00 0.00 C ATOM 897 C THR A 56 -7.502 3.374 -6.406 1.00 0.00 C ATOM 898 O THR A 56 -6.619 3.021 -5.626 1.00 0.00 O ATOM 899 CB THR A 56 -7.627 3.059 -8.889 1.00 0.00 C ATOM 900 OG1 THR A 56 -6.926 1.812 -8.817 1.00 0.00 O ATOM 901 CG2 THR A 56 -7.381 3.698 -10.248 1.00 0.00 C ATOM 0 H THR A 56 -5.130 3.465 -7.513 1.00 0.00 H new ATOM 0 HA THR A 56 -7.645 4.951 -7.868 1.00 0.00 H new ATOM 0 HB THR A 56 -8.697 2.889 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.236 1.221 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.728 3.027 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.924 4.641 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.315 3.884 -10.375 1.00 0.00 H new ATOM 909 N ASP A 57 -8.801 3.262 -6.168 1.00 0.00 N ATOM 910 CA ASP A 57 -9.291 2.866 -4.859 1.00 0.00 C ATOM 911 C ASP A 57 -9.155 1.350 -4.704 1.00 0.00 C ATOM 912 O ASP A 57 -9.457 0.599 -5.631 1.00 0.00 O ATOM 913 CB ASP A 57 -10.746 3.301 -4.665 1.00 0.00 C ATOM 914 CG ASP A 57 -10.939 4.803 -4.514 1.00 0.00 C ATOM 915 OD1 ASP A 57 -10.336 5.374 -3.636 1.00 0.00 O ATOM 916 OD2 ASP A 57 -11.558 5.391 -5.369 1.00 0.00 O ATOM 0 H ASP A 57 -9.529 3.439 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.694 3.360 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.332 2.956 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.146 2.805 -3.781 1.00 0.00 H new ATOM 922 N ARG A 58 -8.698 0.946 -3.530 1.00 0.00 N ATOM 923 CA ARG A 58 -8.701 -0.462 -3.169 1.00 0.00 C ATOM 924 C ARG A 58 -8.014 -1.289 -4.259 1.00 0.00 C ATOM 925 O ARG A 58 -8.390 -2.435 -4.502 1.00 0.00 O ATOM 926 CB ARG A 58 -10.099 -0.976 -2.862 1.00 0.00 C ATOM 927 CG ARG A 58 -10.812 -0.252 -1.731 1.00 0.00 C ATOM 928 CD ARG A 58 -12.102 -0.867 -1.326 1.00 0.00 C ATOM 929 NE ARG A 58 -11.981 -2.195 -0.746 1.00 0.00 N ATOM 930 CZ ARG A 58 -13.018 -3.013 -0.485 1.00 0.00 C ATOM 931 NH1 ARG A 58 -14.256 -2.632 -0.712 1.00 0.00 N ATOM 932 NH2 ARG A 58 -12.761 -4.202 0.031 1.00 0.00 N ATOM 0 H ARG A 58 -8.322 1.569 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.131 -0.572 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.706 -0.897 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.035 -2.035 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.152 -0.218 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.994 0.779 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.591 -0.213 -0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.753 -0.923 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.044 -2.530 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.442 -1.704 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.030 -3.265 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.798 -4.478 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.526 -4.844 0.240 1.00 0.00 H new ATOM 945 N CYS A 59 -7.023 -0.678 -4.885 1.00 0.00 N ATOM 946 CA CYS A 59 -6.305 -1.329 -5.969 1.00 0.00 C ATOM 947 C CYS A 59 -5.166 -2.152 -5.363 1.00 0.00 C ATOM 948 O CYS A 59 -4.741 -3.150 -5.941 1.00 0.00 O ATOM 949 CB CYS A 59 -5.767 -0.157 -6.790 1.00 0.00 C ATOM 950 SG CYS A 59 -4.621 0.921 -5.898 1.00 0.00 S ATOM 0 H CYS A 59 -6.698 0.263 -4.664 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.908 -2.006 -6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.263 -0.550 -7.673 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.608 0.440 -7.142 1.00 0.00 H new ATOM 955 N ASN A 60 -4.704 -1.701 -4.205 1.00 0.00 N ATOM 956 CA ASN A 60 -3.613 -2.376 -3.521 1.00 0.00 C ATOM 957 C ASN A 60 -4.185 -3.422 -2.563 1.00 0.00 C ATOM 958 O ASN A 60 -5.282 -3.935 -2.782 1.00 0.00 O ATOM 959 CB ASN A 60 -2.781 -1.388 -2.703 1.00 0.00 C ATOM 960 CG ASN A 60 -3.578 -0.861 -1.506 1.00 0.00 C ATOM 961 OD1 ASN A 60 -4.758 -1.131 -1.346 1.00 0.00 O ATOM 962 ND2 ASN A 60 -2.871 -0.099 -0.677 1.00 0.00 N ATOM 963 OXT ASN A 60 -3.564 -3.748 -1.590 1.00 0.00 O ATOM 0 H ASN A 60 -5.065 -0.877 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.979 -2.842 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.871 -1.875 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.473 -0.555 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.313 0.299 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.887 0.088 -0.870 1.00 0.00 H new