USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ 179:sc= 0.764! (180deg=0.752!) USER MOD Set 1.2: A 51 TYR OH : rot 44:sc= 1.09 USER MOD Set 2.1: A 12 MET CE :methyl 176:sc= -0.064 (180deg=-0.0746) USER MOD Set 2.2: A 38 TYR OH : rot -36:sc= 0.347 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 147:sc= 1.29 (180deg=0.287) USER MOD Single : A 1 SER OG : rot 1:sc= 1.17 USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.886) USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.0873) USER MOD Single : A 9 THR OG1 : rot 160:sc= -0.0364 USER MOD Single : A 10 SER OG : rot 150:sc= 0.781 USER MOD Single : A 13 CYS SG : rot 73:sc= -0.0998 USER MOD Single : A 15 HIS : +bothHN:sc= 0.659 K(o=0.66,f=-7.5!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0901 USER MOD Single : A 20 LYS NZ :NH3+ 131:sc= 0.552 (180deg=-0.22) USER MOD Single : A 28 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.0083) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.89) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -167:sc= 0 (180deg=-0.0468) USER MOD Single : A 58 THR OG1 : rot 150:sc= 1.22 USER MOD Single : A 62 ASN : amide:sc= -0.0412 X(o=-0.041,f=-0.48) USER MOD Single : A 72 THR OG1 : rot -13:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ -117:sc= -3.99 (180deg=-6.4!) USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.223) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= 1.2 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.910 -14.412 12.213 1.00 0.00 N ATOM 2 CA MET A 0 4.466 -13.012 12.172 1.00 0.00 C ATOM 3 C MET A 0 5.374 -12.213 11.258 1.00 0.00 C ATOM 4 O MET A 0 6.519 -11.926 11.609 1.00 0.00 O ATOM 5 CB MET A 0 4.439 -12.353 13.562 1.00 0.00 C ATOM 6 CG MET A 0 3.481 -13.021 14.547 1.00 0.00 C ATOM 7 SD MET A 0 3.991 -14.619 15.231 1.00 0.00 S ATOM 8 CE MET A 0 5.187 -14.071 16.477 1.00 0.00 C ATOM 0 H1 MET A 0 4.720 -14.809 13.155 1.00 0.00 H new ATOM 0 H2 MET A 0 4.394 -14.961 11.496 1.00 0.00 H new ATOM 0 H3 MET A 0 5.930 -14.458 12.017 1.00 0.00 H new ATOM 0 HA MET A 0 3.444 -13.015 11.792 1.00 0.00 H new ATOM 0 HB2 MET A 0 5.445 -12.370 13.981 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.158 -11.306 13.451 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.315 -12.334 15.377 1.00 0.00 H new ATOM 0 HG3 MET A 0 2.521 -13.156 14.048 1.00 0.00 H new ATOM 0 HE1 MET A 0 5.598 -14.939 16.993 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.994 -13.522 15.991 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.690 -13.422 17.198 1.00 0.00 H new ATOM 20 N SER A 1 4.890 -11.851 10.075 1.00 0.00 N ATOM 21 CA SER A 1 5.349 -10.714 9.283 1.00 0.00 C ATOM 22 C SER A 1 4.177 -10.282 8.395 1.00 0.00 C ATOM 23 O SER A 1 3.305 -11.108 8.105 1.00 0.00 O ATOM 24 CB SER A 1 6.571 -11.111 8.453 1.00 0.00 C ATOM 25 OG SER A 1 7.683 -11.329 9.309 1.00 0.00 O ATOM 0 H SER A 1 4.134 -12.364 9.621 1.00 0.00 H new ATOM 0 HA SER A 1 5.657 -9.884 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.357 -12.015 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.803 -10.327 7.732 1.00 0.00 H new ATOM 0 HG SER A 1 7.410 -11.196 10.241 1.00 0.00 H new ATOM 31 N LYS A 2 4.119 -9.028 7.951 1.00 0.00 N ATOM 32 CA LYS A 2 3.055 -8.561 7.065 1.00 0.00 C ATOM 33 C LYS A 2 3.593 -7.628 5.992 1.00 0.00 C ATOM 34 O LYS A 2 4.685 -7.074 6.141 1.00 0.00 O ATOM 35 CB LYS A 2 1.859 -8.017 7.860 1.00 0.00 C ATOM 36 CG LYS A 2 2.184 -6.775 8.673 1.00 0.00 C ATOM 37 CD LYS A 2 0.929 -6.358 9.458 1.00 0.00 C ATOM 38 CE LYS A 2 1.192 -5.194 10.415 1.00 0.00 C ATOM 39 NZ LYS A 2 -0.009 -4.878 11.215 1.00 0.00 N ATOM 0 H LYS A 2 4.803 -8.311 8.193 1.00 0.00 H new ATOM 0 HA LYS A 2 2.656 -9.413 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.048 -7.787 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.495 -8.795 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.008 -6.976 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.505 -5.967 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.144 -6.076 8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.559 -7.213 10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.019 -5.446 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.496 -4.315 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.279 -4.466 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.601 -4.196 10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.552 -5.749 11.385 1.00 0.00 H new ATOM 53 N VAL A 3 2.847 -7.515 4.903 1.00 0.00 N ATOM 54 CA VAL A 3 3.116 -6.595 3.796 1.00 0.00 C ATOM 55 C VAL A 3 2.269 -5.326 3.965 1.00 0.00 C ATOM 56 O VAL A 3 1.247 -5.331 4.661 1.00 0.00 O ATOM 57 CB VAL A 3 2.880 -7.355 2.468 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.464 -6.497 1.262 1.00 0.00 C ATOM 59 CG2 VAL A 3 4.154 -8.136 2.105 1.00 0.00 C ATOM 0 H VAL A 3 2.009 -8.078 4.756 1.00 0.00 H new ATOM 0 HA VAL A 3 4.151 -6.254 3.786 1.00 0.00 H new ATOM 0 HB VAL A 3 2.027 -8.005 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.327 -7.137 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.529 -5.984 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.241 -5.761 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.997 -8.675 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.986 -7.441 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.384 -8.847 2.899 1.00 0.00 H new ATOM 69 N LYS A 4 2.671 -4.237 3.298 1.00 0.00 N ATOM 70 CA LYS A 4 1.835 -3.049 3.147 1.00 0.00 C ATOM 71 C LYS A 4 1.780 -2.667 1.679 1.00 0.00 C ATOM 72 O LYS A 4 2.711 -2.982 0.934 1.00 0.00 O ATOM 73 CB LYS A 4 2.355 -1.873 3.982 1.00 0.00 C ATOM 74 CG LYS A 4 2.333 -2.135 5.494 1.00 0.00 C ATOM 75 CD LYS A 4 3.684 -2.623 6.037 1.00 0.00 C ATOM 76 CE LYS A 4 3.675 -2.851 7.554 1.00 0.00 C ATOM 77 NZ LYS A 4 3.081 -1.715 8.284 1.00 0.00 N ATOM 0 H LYS A 4 3.584 -4.159 2.850 1.00 0.00 H new ATOM 0 HA LYS A 4 0.835 -3.284 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.376 -1.645 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.753 -0.991 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.049 -1.219 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.568 -2.878 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.955 -3.553 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.454 -1.892 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.115 -3.759 7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.696 -3.011 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.416 -1.722 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.363 -0.824 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.044 -1.797 8.270 1.00 0.00 H new ATOM 91 N ILE A 5 0.720 -1.979 1.270 1.00 0.00 N ATOM 92 CA ILE A 5 0.484 -1.576 -0.103 1.00 0.00 C ATOM 93 C ILE A 5 -0.204 -0.216 -0.100 1.00 0.00 C ATOM 94 O ILE A 5 -0.994 0.102 0.792 1.00 0.00 O ATOM 95 CB ILE A 5 -0.314 -2.697 -0.824 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.673 -3.788 -1.325 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.292 -2.182 -1.899 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.360 -4.433 -2.676 1.00 0.00 C ATOM 0 H ILE A 5 -0.018 -1.680 1.907 1.00 0.00 H new ATOM 0 HA ILE A 5 1.411 -1.452 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.985 -3.158 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.668 -3.346 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.717 -4.577 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.809 -3.026 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.021 -1.515 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.738 -1.640 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.123 -5.176 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.616 -4.917 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.350 -3.667 -3.451 1.00 0.00 H new ATOM 110 N GLU A 6 0.057 0.571 -1.141 1.00 0.00 N ATOM 111 CA GLU A 6 -0.524 1.903 -1.257 1.00 0.00 C ATOM 112 C GLU A 6 -1.043 2.139 -2.659 1.00 0.00 C ATOM 113 O GLU A 6 -0.460 1.669 -3.639 1.00 0.00 O ATOM 114 CB GLU A 6 0.496 3.007 -0.964 1.00 0.00 C ATOM 115 CG GLU A 6 1.003 3.081 0.484 1.00 0.00 C ATOM 116 CD GLU A 6 1.873 4.322 0.735 1.00 0.00 C ATOM 117 OE1 GLU A 6 2.185 5.077 -0.217 1.00 0.00 O ATOM 118 OE2 GLU A 6 2.241 4.582 1.899 1.00 0.00 O ATOM 0 H GLU A 6 0.667 0.308 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.330 1.944 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.353 2.868 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.049 3.967 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.152 3.093 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.579 2.184 0.711 1.00 0.00 H new ATOM 125 N LEU A 7 -2.074 2.977 -2.729 1.00 0.00 N ATOM 126 CA LEU A 7 -2.633 3.601 -3.908 1.00 0.00 C ATOM 127 C LEU A 7 -2.584 5.108 -3.671 1.00 0.00 C ATOM 128 O LEU A 7 -3.521 5.677 -3.111 1.00 0.00 O ATOM 129 CB LEU A 7 -4.075 3.092 -4.121 1.00 0.00 C ATOM 130 CG LEU A 7 -4.275 2.118 -5.276 1.00 0.00 C ATOM 131 CD1 LEU A 7 -4.080 2.785 -6.632 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.430 0.855 -5.154 1.00 0.00 C ATOM 0 H LEU A 7 -2.577 3.255 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.074 3.356 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.408 2.609 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.723 3.953 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.316 1.800 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.233 2.051 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.799 3.596 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.068 3.185 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.621 0.206 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.374 1.124 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.690 0.331 -4.234 1.00 0.00 H new ATOM 144 N PHE A 8 -1.498 5.752 -4.096 1.00 0.00 N ATOM 145 CA PHE A 8 -1.351 7.200 -4.144 1.00 0.00 C ATOM 146 C PHE A 8 -1.737 7.618 -5.566 1.00 0.00 C ATOM 147 O PHE A 8 -0.899 7.730 -6.467 1.00 0.00 O ATOM 148 CB PHE A 8 0.084 7.576 -3.737 1.00 0.00 C ATOM 149 CG PHE A 8 0.353 9.058 -3.543 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.754 9.862 -4.628 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.275 9.627 -2.257 1.00 0.00 C ATOM 152 CE1 PHE A 8 1.057 11.222 -4.436 1.00 0.00 C ATOM 153 CE2 PHE A 8 0.578 10.986 -2.063 1.00 0.00 C ATOM 154 CZ PHE A 8 0.956 11.791 -3.153 1.00 0.00 C ATOM 0 H PHE A 8 -0.669 5.259 -4.427 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.996 7.730 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.325 7.058 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.767 7.199 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.829 9.431 -5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.019 9.016 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.367 11.830 -5.273 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.520 11.414 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.167 12.840 -3.006 1.00 0.00 H new ATOM 164 N THR A 9 -3.042 7.753 -5.817 1.00 0.00 N ATOM 165 CA THR A 9 -3.587 8.045 -7.146 1.00 0.00 C ATOM 166 C THR A 9 -4.748 9.035 -7.024 1.00 0.00 C ATOM 167 O THR A 9 -5.190 9.310 -5.915 1.00 0.00 O ATOM 168 CB THR A 9 -4.003 6.737 -7.848 1.00 0.00 C ATOM 169 OG1 THR A 9 -5.012 6.064 -7.132 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.845 5.762 -8.053 1.00 0.00 C ATOM 0 H THR A 9 -3.758 7.662 -5.096 1.00 0.00 H new ATOM 0 HA THR A 9 -2.821 8.512 -7.765 1.00 0.00 H new ATOM 0 HB THR A 9 -4.370 7.052 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.474 5.438 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.209 4.864 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.078 6.233 -8.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.421 5.493 -7.086 1.00 0.00 H new ATOM 178 N SER A 10 -5.248 9.586 -8.132 1.00 0.00 N ATOM 179 CA SER A 10 -6.400 10.487 -8.139 1.00 0.00 C ATOM 180 C SER A 10 -6.936 10.615 -9.569 1.00 0.00 C ATOM 181 O SER A 10 -8.055 10.163 -9.810 1.00 0.00 O ATOM 182 CB SER A 10 -6.034 11.813 -7.460 1.00 0.00 C ATOM 183 OG SER A 10 -7.041 12.790 -7.544 1.00 0.00 O ATOM 0 H SER A 10 -4.859 9.417 -9.060 1.00 0.00 H new ATOM 0 HA SER A 10 -7.223 10.084 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.811 11.623 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.123 12.203 -7.914 1.00 0.00 H new ATOM 0 HG SER A 10 -7.000 13.370 -6.755 1.00 0.00 H new ATOM 189 N PRO A 11 -6.157 11.081 -10.572 1.00 0.00 N ATOM 190 CA PRO A 11 -6.572 10.928 -11.961 1.00 0.00 C ATOM 191 C PRO A 11 -6.731 9.433 -12.251 1.00 0.00 C ATOM 192 O PRO A 11 -5.879 8.627 -11.859 1.00 0.00 O ATOM 193 CB PRO A 11 -5.493 11.604 -12.811 1.00 0.00 C ATOM 194 CG PRO A 11 -4.256 11.560 -11.916 1.00 0.00 C ATOM 195 CD PRO A 11 -4.836 11.691 -10.507 1.00 0.00 C ATOM 0 HA PRO A 11 -7.531 11.394 -12.187 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.329 11.073 -13.749 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.767 12.627 -13.068 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.704 10.628 -12.039 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.566 12.372 -12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.206 11.186 -9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.901 12.736 -10.205 1.00 0.00 H new ATOM 203 N MET A 12 -7.836 9.059 -12.896 1.00 0.00 N ATOM 204 CA MET A 12 -8.312 7.693 -13.108 1.00 0.00 C ATOM 205 C MET A 12 -8.854 7.575 -14.541 1.00 0.00 C ATOM 206 O MET A 12 -8.618 8.468 -15.351 1.00 0.00 O ATOM 207 CB MET A 12 -9.348 7.342 -12.017 1.00 0.00 C ATOM 208 CG MET A 12 -8.666 6.987 -10.689 1.00 0.00 C ATOM 209 SD MET A 12 -9.766 6.878 -9.253 1.00 0.00 S ATOM 210 CE MET A 12 -10.745 5.411 -9.662 1.00 0.00 C ATOM 0 H MET A 12 -8.463 9.748 -13.311 1.00 0.00 H new ATOM 0 HA MET A 12 -7.506 6.965 -13.014 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.021 8.186 -11.868 1.00 0.00 H new ATOM 0 HB3 MET A 12 -9.959 6.503 -12.350 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.155 6.031 -10.807 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.900 7.735 -10.482 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.417 5.180 -8.835 1.00 0.00 H new ATOM 0 HE2 MET A 12 -11.330 5.603 -10.562 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.079 4.566 -9.836 1.00 0.00 H new ATOM 220 N CYS A 13 -9.497 6.443 -14.857 1.00 0.00 N ATOM 221 CA CYS A 13 -10.061 5.949 -16.122 1.00 0.00 C ATOM 222 C CYS A 13 -9.340 4.639 -16.472 1.00 0.00 C ATOM 223 O CYS A 13 -9.890 3.588 -16.152 1.00 0.00 O ATOM 224 CB CYS A 13 -10.175 6.960 -17.281 1.00 0.00 C ATOM 225 SG CYS A 13 -11.344 8.274 -16.835 1.00 0.00 S ATOM 0 H CYS A 13 -9.656 5.753 -14.123 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.122 5.760 -15.960 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -9.197 7.389 -17.499 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.510 6.454 -18.186 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.798 9.060 -15.956 1.00 0.00 H new ATOM 231 N PRO A 14 -8.084 4.622 -16.970 1.00 0.00 N ATOM 232 CA PRO A 14 -7.364 3.373 -17.248 1.00 0.00 C ATOM 233 C PRO A 14 -7.052 2.544 -15.989 1.00 0.00 C ATOM 234 O PRO A 14 -6.530 1.439 -16.095 1.00 0.00 O ATOM 235 CB PRO A 14 -6.082 3.789 -17.980 1.00 0.00 C ATOM 236 CG PRO A 14 -5.826 5.197 -17.452 1.00 0.00 C ATOM 237 CD PRO A 14 -7.236 5.759 -17.302 1.00 0.00 C ATOM 0 HA PRO A 14 -7.986 2.711 -17.850 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.253 3.117 -17.756 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.215 3.782 -19.062 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.292 5.182 -16.502 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.226 5.787 -18.145 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.274 6.516 -16.519 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.566 6.237 -18.224 1.00 0.00 H new ATOM 245 N HIS A 15 -7.365 3.052 -14.794 1.00 0.00 N ATOM 246 CA HIS A 15 -7.297 2.323 -13.536 1.00 0.00 C ATOM 247 C HIS A 15 -8.488 2.712 -12.659 1.00 0.00 C ATOM 248 O HIS A 15 -8.305 3.199 -11.551 1.00 0.00 O ATOM 249 CB HIS A 15 -5.929 2.540 -12.861 1.00 0.00 C ATOM 250 CG HIS A 15 -5.500 3.985 -12.719 1.00 0.00 C ATOM 251 ND1 HIS A 15 -4.681 4.681 -13.592 1.00 0.00 N ATOM 252 CD2 HIS A 15 -5.820 4.819 -11.683 1.00 0.00 C ATOM 253 CE1 HIS A 15 -4.529 5.923 -13.106 1.00 0.00 C ATOM 254 NE2 HIS A 15 -5.222 6.032 -11.958 1.00 0.00 N ATOM 0 H HIS A 15 -7.683 4.014 -14.678 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.372 1.250 -13.712 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.955 2.087 -11.870 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.171 2.008 -13.435 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -4.268 4.316 -14.450 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.422 4.576 -10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.945 6.708 -13.563 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.294 6.873 -11.385 1.00 0.00 H new ATOM 263 N CYS A 16 -9.723 2.559 -13.147 1.00 0.00 N ATOM 264 CA CYS A 16 -10.890 2.669 -12.270 1.00 0.00 C ATOM 265 C CYS A 16 -10.821 1.682 -11.085 1.00 0.00 C ATOM 266 O CYS A 16 -10.928 2.145 -9.953 1.00 0.00 O ATOM 267 CB CYS A 16 -12.201 2.563 -13.058 1.00 0.00 C ATOM 268 SG CYS A 16 -12.429 4.082 -14.023 1.00 0.00 S ATOM 0 H CYS A 16 -9.937 2.363 -14.125 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.873 3.666 -11.830 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.175 1.697 -13.719 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.040 2.419 -12.377 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.537 4.005 -14.699 1.00 0.00 H new ATOM 274 N PRO A 17 -10.635 0.360 -11.269 1.00 0.00 N ATOM 275 CA PRO A 17 -10.525 -0.574 -10.148 1.00 0.00 C ATOM 276 C PRO A 17 -9.109 -0.529 -9.540 1.00 0.00 C ATOM 277 O PRO A 17 -8.399 -1.527 -9.592 1.00 0.00 O ATOM 278 CB PRO A 17 -10.891 -1.936 -10.759 1.00 0.00 C ATOM 279 CG PRO A 17 -10.336 -1.831 -12.178 1.00 0.00 C ATOM 280 CD PRO A 17 -10.607 -0.370 -12.533 1.00 0.00 C ATOM 0 HA PRO A 17 -11.183 -0.336 -9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.439 -2.761 -10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.968 -2.104 -10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.273 -2.067 -12.216 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.839 -2.515 -12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.831 0.021 -13.191 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.554 -0.268 -13.062 1.00 0.00 H new ATOM 288 N ALA A 18 -8.668 0.619 -9.011 1.00 0.00 N ATOM 289 CA ALA A 18 -7.275 0.853 -8.625 1.00 0.00 C ATOM 290 C ALA A 18 -6.873 0.001 -7.404 1.00 0.00 C ATOM 291 O ALA A 18 -6.319 -1.091 -7.567 1.00 0.00 O ATOM 292 CB ALA A 18 -7.040 2.360 -8.437 1.00 0.00 C ATOM 0 H ALA A 18 -9.277 1.419 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.613 0.523 -9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.003 2.533 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.249 2.880 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.701 2.737 -7.656 1.00 0.00 H new ATOM 298 N ALA A 19 -7.210 0.439 -6.178 1.00 0.00 N ATOM 299 CA ALA A 19 -6.971 -0.370 -4.985 1.00 0.00 C ATOM 300 C ALA A 19 -7.692 -1.716 -5.052 1.00 0.00 C ATOM 301 O ALA A 19 -7.311 -2.627 -4.330 1.00 0.00 O ATOM 302 CB ALA A 19 -7.406 0.388 -3.726 1.00 0.00 C ATOM 0 H ALA A 19 -7.645 1.343 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.900 -0.565 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.221 -0.230 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.838 1.315 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.469 0.619 -3.790 1.00 0.00 H new ATOM 308 N LYS A 20 -8.717 -1.863 -5.903 1.00 0.00 N ATOM 309 CA LYS A 20 -9.350 -3.155 -6.123 1.00 0.00 C ATOM 310 C LYS A 20 -8.353 -4.120 -6.774 1.00 0.00 C ATOM 311 O LYS A 20 -8.000 -5.099 -6.128 1.00 0.00 O ATOM 312 CB LYS A 20 -10.699 -3.015 -6.855 1.00 0.00 C ATOM 313 CG LYS A 20 -11.719 -4.040 -6.330 1.00 0.00 C ATOM 314 CD LYS A 20 -12.211 -3.726 -4.899 1.00 0.00 C ATOM 315 CE LYS A 20 -12.516 -4.992 -4.079 1.00 0.00 C ATOM 316 NZ LYS A 20 -11.306 -5.797 -3.795 1.00 0.00 N ATOM 0 H LYS A 20 -9.120 -1.099 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.619 -3.601 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.088 -2.006 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.553 -3.158 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.575 -4.070 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.268 -5.032 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.454 -3.137 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.109 -3.111 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.985 -4.705 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.236 -5.605 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.276 -6.033 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.333 -6.674 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.458 -5.251 -4.049 1.00 0.00 H new ATOM 330 N ARG A 21 -7.816 -3.815 -7.967 1.00 0.00 N ATOM 331 CA ARG A 21 -6.809 -4.684 -8.578 1.00 0.00 C ATOM 332 C ARG A 21 -5.646 -4.916 -7.640 1.00 0.00 C ATOM 333 O ARG A 21 -5.198 -6.054 -7.566 1.00 0.00 O ATOM 334 CB ARG A 21 -6.237 -4.146 -9.900 1.00 0.00 C ATOM 335 CG ARG A 21 -7.014 -4.657 -11.115 1.00 0.00 C ATOM 336 CD ARG A 21 -6.229 -4.390 -12.408 1.00 0.00 C ATOM 337 NE ARG A 21 -6.713 -5.240 -13.512 1.00 0.00 N ATOM 338 CZ ARG A 21 -6.186 -5.286 -14.743 1.00 0.00 C ATOM 339 NH1 ARG A 21 -5.236 -4.438 -15.116 1.00 0.00 N ATOM 340 NH2 ARG A 21 -6.623 -6.194 -15.614 1.00 0.00 N ATOM 0 H ARG A 21 -8.059 -2.989 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.341 -5.612 -8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.261 -3.056 -9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.192 -4.441 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.201 -5.726 -11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.986 -4.166 -11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.326 -3.340 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.169 -4.579 -12.238 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.514 -5.842 -13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.894 -3.735 -14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.848 -4.489 -16.058 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.355 -6.850 -15.343 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.225 -6.233 -16.552 1.00 0.00 H new ATOM 354 N VAL A 22 -5.130 -3.871 -6.992 1.00 0.00 N ATOM 355 CA VAL A 22 -3.934 -4.080 -6.188 1.00 0.00 C ATOM 356 C VAL A 22 -4.272 -4.940 -4.948 1.00 0.00 C ATOM 357 O VAL A 22 -3.504 -5.836 -4.613 1.00 0.00 O ATOM 358 CB VAL A 22 -3.208 -2.745 -5.937 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.845 -2.942 -5.274 1.00 0.00 C ATOM 360 CG2 VAL A 22 -2.922 -2.021 -7.273 1.00 0.00 C ATOM 0 H VAL A 22 -5.500 -2.920 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.193 -4.672 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.869 -2.169 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.373 -1.972 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.976 -3.440 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.213 -3.554 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.409 -1.080 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.293 -2.652 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.862 -1.820 -7.786 1.00 0.00 H new ATOM 370 N VAL A 23 -5.441 -4.792 -4.301 1.00 0.00 N ATOM 371 CA VAL A 23 -5.771 -5.713 -3.214 1.00 0.00 C ATOM 372 C VAL A 23 -5.997 -7.133 -3.751 1.00 0.00 C ATOM 373 O VAL A 23 -5.627 -8.069 -3.060 1.00 0.00 O ATOM 374 CB VAL A 23 -6.869 -5.186 -2.262 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.312 -5.331 -2.759 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.783 -5.887 -0.895 1.00 0.00 C ATOM 0 H VAL A 23 -6.140 -4.077 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.903 -5.776 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.659 -4.118 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.996 -4.929 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.432 -4.783 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.535 -6.385 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.564 -5.502 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.917 -6.961 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.807 -5.695 -0.449 1.00 0.00 H new ATOM 386 N GLU A 24 -6.539 -7.334 -4.960 1.00 0.00 N ATOM 387 CA GLU A 24 -6.645 -8.668 -5.562 1.00 0.00 C ATOM 388 C GLU A 24 -5.247 -9.289 -5.726 1.00 0.00 C ATOM 389 O GLU A 24 -4.996 -10.418 -5.274 1.00 0.00 O ATOM 390 CB GLU A 24 -7.375 -8.603 -6.925 1.00 0.00 C ATOM 391 CG GLU A 24 -8.884 -8.883 -6.866 1.00 0.00 C ATOM 392 CD GLU A 24 -9.735 -7.648 -6.564 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.009 -6.859 -7.498 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.193 -7.518 -5.406 1.00 0.00 O ATOM 0 H GLU A 24 -6.912 -6.584 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.233 -9.300 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.221 -7.614 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.913 -9.322 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.202 -9.306 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.073 -9.638 -6.103 1.00 0.00 H new ATOM 401 N GLU A 25 -4.367 -8.535 -6.393 1.00 0.00 N ATOM 402 CA GLU A 25 -2.981 -8.845 -6.710 1.00 0.00 C ATOM 403 C GLU A 25 -2.287 -9.398 -5.474 1.00 0.00 C ATOM 404 O GLU A 25 -1.818 -10.536 -5.494 1.00 0.00 O ATOM 405 CB GLU A 25 -2.305 -7.583 -7.303 1.00 0.00 C ATOM 406 CG GLU A 25 -0.760 -7.527 -7.245 1.00 0.00 C ATOM 407 CD GLU A 25 -0.200 -6.292 -6.514 1.00 0.00 C ATOM 408 OE1 GLU A 25 -0.706 -5.972 -5.424 1.00 0.00 O ATOM 409 OE2 GLU A 25 0.773 -5.688 -7.017 1.00 0.00 O ATOM 0 H GLU A 25 -4.634 -7.618 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.911 -9.624 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.609 -7.493 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.696 -6.710 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.393 -8.426 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.369 -7.542 -8.262 1.00 0.00 H new ATOM 416 N VAL A 26 -2.226 -8.609 -4.411 1.00 0.00 N ATOM 417 CA VAL A 26 -1.472 -8.980 -3.231 1.00 0.00 C ATOM 418 C VAL A 26 -2.208 -10.014 -2.376 1.00 0.00 C ATOM 419 O VAL A 26 -1.576 -10.946 -1.868 1.00 0.00 O ATOM 420 CB VAL A 26 -1.158 -7.698 -2.462 1.00 0.00 C ATOM 421 CG1 VAL A 26 -2.403 -7.140 -1.760 1.00 0.00 C ATOM 422 CG2 VAL A 26 0.154 -7.896 -1.694 1.00 0.00 C ATOM 0 H VAL A 26 -2.693 -7.705 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.542 -9.470 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.931 -6.846 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.140 -6.228 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.170 -6.916 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.785 -7.878 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.392 -6.988 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.046 -8.728 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.958 -8.113 -2.397 1.00 0.00 H new ATOM 432 N ALA A 27 -3.531 -9.876 -2.212 1.00 0.00 N ATOM 433 CA ALA A 27 -4.329 -10.783 -1.403 1.00 0.00 C ATOM 434 C ALA A 27 -4.213 -12.212 -1.939 1.00 0.00 C ATOM 435 O ALA A 27 -4.351 -13.150 -1.158 1.00 0.00 O ATOM 436 CB ALA A 27 -5.811 -10.398 -1.368 1.00 0.00 C ATOM 0 H ALA A 27 -4.072 -9.126 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.935 -10.716 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.357 -11.110 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.917 -9.397 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.215 -10.412 -2.380 1.00 0.00 H new ATOM 442 N ASN A 28 -3.919 -12.390 -3.239 1.00 0.00 N ATOM 443 CA ASN A 28 -3.479 -13.674 -3.799 1.00 0.00 C ATOM 444 C ASN A 28 -2.541 -14.403 -2.831 1.00 0.00 C ATOM 445 O ASN A 28 -2.800 -15.546 -2.454 1.00 0.00 O ATOM 446 CB ASN A 28 -2.764 -13.461 -5.144 1.00 0.00 C ATOM 447 CG ASN A 28 -2.541 -14.758 -5.913 1.00 0.00 C ATOM 448 OD1 ASN A 28 -3.151 -14.978 -6.957 1.00 0.00 O ATOM 449 ND2 ASN A 28 -1.646 -15.635 -5.499 1.00 0.00 N ATOM 0 H ASN A 28 -3.981 -11.643 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.366 -14.287 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.352 -12.778 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.802 -12.981 -4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.470 -16.479 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.131 -15.468 -4.635 1.00 0.00 H new ATOM 456 N GLU A 29 -1.463 -13.742 -2.407 1.00 0.00 N ATOM 457 CA GLU A 29 -0.420 -14.319 -1.570 1.00 0.00 C ATOM 458 C GLU A 29 -0.618 -14.017 -0.084 1.00 0.00 C ATOM 459 O GLU A 29 -0.145 -14.787 0.757 1.00 0.00 O ATOM 460 CB GLU A 29 0.946 -13.795 -2.040 1.00 0.00 C ATOM 461 CG GLU A 29 1.339 -14.326 -3.428 1.00 0.00 C ATOM 462 CD GLU A 29 1.453 -15.849 -3.422 1.00 0.00 C ATOM 463 OE1 GLU A 29 2.538 -16.378 -3.082 1.00 0.00 O ATOM 464 OE2 GLU A 29 0.449 -16.528 -3.744 1.00 0.00 O ATOM 0 H GLU A 29 -1.290 -12.765 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.470 -15.403 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.924 -12.706 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.709 -14.081 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.596 -14.017 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.290 -13.888 -3.732 1.00 0.00 H new ATOM 471 N MET A 30 -1.318 -12.941 0.273 1.00 0.00 N ATOM 472 CA MET A 30 -1.522 -12.514 1.654 1.00 0.00 C ATOM 473 C MET A 30 -2.923 -11.911 1.799 1.00 0.00 C ATOM 474 O MET A 30 -3.059 -10.688 1.850 1.00 0.00 O ATOM 475 CB MET A 30 -0.435 -11.505 2.042 1.00 0.00 C ATOM 476 CG MET A 30 0.893 -12.165 2.426 1.00 0.00 C ATOM 477 SD MET A 30 2.152 -11.007 3.025 1.00 0.00 S ATOM 478 CE MET A 30 3.582 -12.116 3.091 1.00 0.00 C ATOM 0 H MET A 30 -1.769 -12.329 -0.407 1.00 0.00 H new ATOM 0 HA MET A 30 -1.448 -13.368 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.267 -10.824 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.789 -10.903 2.879 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.705 -12.911 3.198 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.286 -12.695 1.559 1.00 0.00 H new ATOM 0 HE1 MET A 30 4.454 -11.565 3.442 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.373 -12.939 3.775 1.00 0.00 H new ATOM 0 HE3 MET A 30 3.781 -12.513 2.096 1.00 0.00 H new ATOM 488 N PRO A 31 -3.978 -12.736 1.895 1.00 0.00 N ATOM 489 CA PRO A 31 -5.370 -12.283 1.939 1.00 0.00 C ATOM 490 C PRO A 31 -5.764 -11.679 3.297 1.00 0.00 C ATOM 491 O PRO A 31 -6.893 -11.864 3.752 1.00 0.00 O ATOM 492 CB PRO A 31 -6.188 -13.526 1.566 1.00 0.00 C ATOM 493 CG PRO A 31 -5.343 -14.667 2.120 1.00 0.00 C ATOM 494 CD PRO A 31 -3.919 -14.192 1.865 1.00 0.00 C ATOM 0 HA PRO A 31 -5.552 -11.460 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.182 -13.505 2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.325 -13.611 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.530 -14.830 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.552 -15.608 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.237 -14.572 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.553 -14.549 0.902 1.00 0.00 H new ATOM 502 N ASP A 32 -4.847 -10.986 3.978 1.00 0.00 N ATOM 503 CA ASP A 32 -5.058 -10.443 5.321 1.00 0.00 C ATOM 504 C ASP A 32 -3.812 -9.698 5.762 1.00 0.00 C ATOM 505 O ASP A 32 -3.913 -8.553 6.195 1.00 0.00 O ATOM 506 CB ASP A 32 -5.369 -11.543 6.363 1.00 0.00 C ATOM 507 CG ASP A 32 -6.832 -11.549 6.809 1.00 0.00 C ATOM 508 OD1 ASP A 32 -7.484 -10.481 6.842 1.00 0.00 O ATOM 509 OD2 ASP A 32 -7.349 -12.637 7.164 1.00 0.00 O ATOM 0 H ASP A 32 -3.920 -10.783 3.603 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.919 -9.777 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.120 -12.516 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.730 -11.401 7.235 1.00 0.00 H new ATOM 514 N ALA A 33 -2.629 -10.310 5.622 1.00 0.00 N ATOM 515 CA ALA A 33 -1.362 -9.665 5.960 1.00 0.00 C ATOM 516 C ALA A 33 -0.981 -8.548 4.988 1.00 0.00 C ATOM 517 O ALA A 33 0.189 -8.187 4.960 1.00 0.00 O ATOM 518 CB ALA A 33 -0.208 -10.674 6.006 1.00 0.00 C ATOM 0 H ALA A 33 -2.527 -11.263 5.272 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.521 -9.230 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.717 -10.157 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.418 -11.433 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.102 -11.150 5.031 1.00 0.00 H new ATOM 524 N VAL A 34 -1.877 -8.047 4.145 1.00 0.00 N ATOM 525 CA VAL A 34 -1.591 -6.934 3.284 1.00 0.00 C ATOM 526 C VAL A 34 -2.429 -5.752 3.768 1.00 0.00 C ATOM 527 O VAL A 34 -3.637 -5.691 3.545 1.00 0.00 O ATOM 528 CB VAL A 34 -1.722 -7.348 1.809 1.00 0.00 C ATOM 529 CG1 VAL A 34 -1.646 -6.034 1.017 1.00 0.00 C ATOM 530 CG2 VAL A 34 -0.592 -8.291 1.444 1.00 0.00 C ATOM 0 H VAL A 34 -2.824 -8.413 4.049 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.556 -6.598 3.337 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.650 -7.878 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.732 -6.246 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.460 -5.377 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.692 -5.545 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.686 -8.584 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.364 -7.790 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.641 -9.178 2.075 1.00 0.00 H new ATOM 540 N GLU A 35 -1.766 -4.825 4.463 1.00 0.00 N ATOM 541 CA GLU A 35 -2.349 -3.545 4.845 1.00 0.00 C ATOM 542 C GLU A 35 -2.348 -2.656 3.595 1.00 0.00 C ATOM 543 O GLU A 35 -1.305 -2.098 3.251 1.00 0.00 O ATOM 544 CB GLU A 35 -1.566 -2.902 6.011 1.00 0.00 C ATOM 545 CG GLU A 35 -1.255 -3.877 7.157 1.00 0.00 C ATOM 546 CD GLU A 35 -0.650 -3.185 8.380 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.519 -2.726 8.357 1.00 0.00 O ATOM 548 OE2 GLU A 35 -1.288 -3.206 9.456 1.00 0.00 O ATOM 0 H GLU A 35 -0.803 -4.946 4.777 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.369 -3.677 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.630 -2.495 5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.141 -2.064 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.172 -4.388 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.565 -4.641 6.800 1.00 0.00 H new ATOM 555 N VAL A 36 -3.461 -2.584 2.863 1.00 0.00 N ATOM 556 CA VAL A 36 -3.604 -1.655 1.742 1.00 0.00 C ATOM 557 C VAL A 36 -4.079 -0.287 2.243 1.00 0.00 C ATOM 558 O VAL A 36 -4.818 -0.236 3.230 1.00 0.00 O ATOM 559 CB VAL A 36 -4.603 -2.194 0.691 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.152 -3.535 0.110 1.00 0.00 C ATOM 561 CG2 VAL A 36 -6.045 -2.387 1.197 1.00 0.00 C ATOM 0 H VAL A 36 -4.283 -3.164 3.029 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.627 -1.552 1.271 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.608 -1.408 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.882 -3.878 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.182 -3.415 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.071 -4.270 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.667 -2.768 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.049 -3.099 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.441 -1.431 1.540 1.00 0.00 H new ATOM 571 N GLU A 37 -3.761 0.795 1.525 1.00 0.00 N ATOM 572 CA GLU A 37 -4.527 2.041 1.641 1.00 0.00 C ATOM 573 C GLU A 37 -4.709 2.689 0.259 1.00 0.00 C ATOM 574 O GLU A 37 -3.835 2.571 -0.603 1.00 0.00 O ATOM 575 CB GLU A 37 -3.908 3.002 2.678 1.00 0.00 C ATOM 576 CG GLU A 37 -4.953 3.595 3.646 1.00 0.00 C ATOM 577 CD GLU A 37 -6.133 4.272 2.935 1.00 0.00 C ATOM 578 OE1 GLU A 37 -7.068 3.543 2.531 1.00 0.00 O ATOM 579 OE2 GLU A 37 -6.062 5.494 2.700 1.00 0.00 O ATOM 0 H GLU A 37 -2.986 0.834 0.863 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.521 1.800 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.150 2.470 3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.401 3.814 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.334 2.801 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.464 4.322 4.294 1.00 0.00 H new ATOM 586 N TYR A 38 -5.839 3.363 0.035 1.00 0.00 N ATOM 587 CA TYR A 38 -6.227 4.079 -1.176 1.00 0.00 C ATOM 588 C TYR A 38 -6.142 5.581 -0.872 1.00 0.00 C ATOM 589 O TYR A 38 -7.163 6.275 -0.828 1.00 0.00 O ATOM 590 CB TYR A 38 -7.634 3.623 -1.602 1.00 0.00 C ATOM 591 CG TYR A 38 -8.080 3.958 -3.024 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.420 4.912 -3.833 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.196 3.274 -3.543 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.854 5.155 -5.149 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.625 3.493 -4.862 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.953 4.435 -5.668 1.00 0.00 C ATOM 597 OH TYR A 38 -9.369 4.629 -6.947 1.00 0.00 O ATOM 0 H TYR A 38 -6.561 3.425 0.753 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.565 3.865 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.690 2.542 -1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.354 4.061 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.576 5.458 -3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.729 2.572 -2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.349 5.889 -5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.466 2.942 -5.257 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.262 5.573 -7.186 1.00 0.00 H new ATOM 607 N ILE A 39 -4.924 6.107 -0.706 1.00 0.00 N ATOM 608 CA ILE A 39 -4.739 7.492 -0.291 1.00 0.00 C ATOM 609 C ILE A 39 -4.922 8.383 -1.520 1.00 0.00 C ATOM 610 O ILE A 39 -3.964 8.726 -2.218 1.00 0.00 O ATOM 611 CB ILE A 39 -3.437 7.747 0.515 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.086 7.358 -0.126 1.00 0.00 C ATOM 613 CG2 ILE A 39 -3.545 7.172 1.934 1.00 0.00 C ATOM 614 CD1 ILE A 39 -1.683 5.882 -0.074 1.00 0.00 C ATOM 0 H ILE A 39 -4.056 5.592 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.502 7.754 0.442 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.389 8.836 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.108 7.665 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.302 7.939 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.619 7.365 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.377 7.645 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.716 6.097 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.716 5.752 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.614 5.560 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.432 5.282 -0.591 1.00 0.00 H new ATOM 626 N ASN A 40 -6.174 8.732 -1.829 1.00 0.00 N ATOM 627 CA ASN A 40 -6.463 9.559 -2.994 1.00 0.00 C ATOM 628 C ASN A 40 -5.792 10.932 -2.863 1.00 0.00 C ATOM 629 O ASN A 40 -5.873 11.587 -1.823 1.00 0.00 O ATOM 630 CB ASN A 40 -7.958 9.641 -3.335 1.00 0.00 C ATOM 631 CG ASN A 40 -8.738 10.744 -2.624 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.433 11.514 -3.271 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.687 10.834 -1.305 1.00 0.00 N ATOM 0 H ASN A 40 -6.995 8.455 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.022 9.062 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.059 9.785 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.420 8.683 -3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.230 11.549 -0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.105 10.188 -0.772 1.00 0.00 H new ATOM 640 N VAL A 41 -5.042 11.337 -3.881 1.00 0.00 N ATOM 641 CA VAL A 41 -4.315 12.599 -3.901 1.00 0.00 C ATOM 642 C VAL A 41 -5.354 13.708 -4.118 1.00 0.00 C ATOM 643 O VAL A 41 -6.024 13.715 -5.150 1.00 0.00 O ATOM 644 CB VAL A 41 -3.216 12.577 -4.985 1.00 0.00 C ATOM 645 CG1 VAL A 41 -2.314 13.813 -4.869 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.332 11.328 -4.868 1.00 0.00 C ATOM 0 H VAL A 41 -4.920 10.787 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.790 12.778 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.726 12.570 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.547 13.777 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.914 14.714 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.840 13.827 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.570 11.347 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.851 11.313 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.947 10.435 -4.983 1.00 0.00 H new ATOM 656 N MET A 42 -5.469 14.654 -3.187 1.00 0.00 N ATOM 657 CA MET A 42 -6.560 15.621 -3.054 1.00 0.00 C ATOM 658 C MET A 42 -6.170 16.496 -1.864 1.00 0.00 C ATOM 659 O MET A 42 -5.653 17.590 -2.061 1.00 0.00 O ATOM 660 CB MET A 42 -7.923 14.941 -2.751 1.00 0.00 C ATOM 661 CG MET A 42 -8.772 14.500 -3.947 1.00 0.00 C ATOM 662 SD MET A 42 -9.153 15.787 -5.168 1.00 0.00 S ATOM 663 CE MET A 42 -10.415 14.897 -6.115 1.00 0.00 C ATOM 0 H MET A 42 -4.762 14.774 -2.462 1.00 0.00 H new ATOM 0 HA MET A 42 -6.689 16.175 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.732 14.064 -2.132 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.518 15.631 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.254 13.687 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.711 14.094 -3.571 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.778 15.532 -6.923 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.982 13.988 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.245 14.635 -5.459 1.00 0.00 H new ATOM 673 N GLU A 43 -6.298 15.976 -0.645 1.00 0.00 N ATOM 674 CA GLU A 43 -5.856 16.571 0.597 1.00 0.00 C ATOM 675 C GLU A 43 -5.151 15.394 1.251 1.00 0.00 C ATOM 676 O GLU A 43 -5.786 14.460 1.736 1.00 0.00 O ATOM 677 CB GLU A 43 -7.046 17.138 1.386 1.00 0.00 C ATOM 678 CG GLU A 43 -6.584 17.783 2.700 1.00 0.00 C ATOM 679 CD GLU A 43 -7.722 18.556 3.374 1.00 0.00 C ATOM 680 OE1 GLU A 43 -8.489 17.921 4.130 1.00 0.00 O ATOM 681 OE2 GLU A 43 -7.809 19.782 3.127 1.00 0.00 O ATOM 0 H GLU A 43 -6.743 15.070 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.202 17.438 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.569 17.877 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.757 16.340 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.216 17.011 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.751 18.458 2.503 1.00 0.00 H new ATOM 688 N ASN A 44 -3.843 15.316 1.020 1.00 0.00 N ATOM 689 CA ASN A 44 -3.071 14.089 1.167 1.00 0.00 C ATOM 690 C ASN A 44 -1.679 14.438 1.694 1.00 0.00 C ATOM 691 O ASN A 44 -1.079 15.379 1.168 1.00 0.00 O ATOM 692 CB ASN A 44 -2.977 13.418 -0.209 1.00 0.00 C ATOM 693 CG ASN A 44 -2.531 11.965 -0.124 1.00 0.00 C ATOM 694 OD1 ASN A 44 -1.486 11.625 0.406 1.00 0.00 O ATOM 695 ND2 ASN A 44 -3.318 11.074 -0.686 1.00 0.00 N ATOM 0 H ASN A 44 -3.284 16.115 0.722 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.547 13.407 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.949 13.467 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.276 13.973 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.057 10.088 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.190 11.369 -1.126 1.00 0.00 H new ATOM 702 N PRO A 45 -1.154 13.740 2.715 1.00 0.00 N ATOM 703 CA PRO A 45 0.187 13.999 3.222 1.00 0.00 C ATOM 704 C PRO A 45 1.249 13.769 2.140 1.00 0.00 C ATOM 705 O PRO A 45 1.119 12.898 1.282 1.00 0.00 O ATOM 706 CB PRO A 45 0.362 13.052 4.418 1.00 0.00 C ATOM 707 CG PRO A 45 -0.660 11.942 4.166 1.00 0.00 C ATOM 708 CD PRO A 45 -1.797 12.675 3.471 1.00 0.00 C ATOM 0 HA PRO A 45 0.312 15.039 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.376 12.656 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.172 13.562 5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.249 11.149 3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.988 11.477 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.354 12.007 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.507 13.077 4.194 1.00 0.00 H new ATOM 716 N GLN A 46 2.377 14.477 2.243 1.00 0.00 N ATOM 717 CA GLN A 46 3.492 14.394 1.296 1.00 0.00 C ATOM 718 C GLN A 46 4.172 13.016 1.252 1.00 0.00 C ATOM 719 O GLN A 46 5.179 12.882 0.567 1.00 0.00 O ATOM 720 CB GLN A 46 4.544 15.471 1.622 1.00 0.00 C ATOM 721 CG GLN A 46 4.053 16.901 1.363 1.00 0.00 C ATOM 722 CD GLN A 46 5.093 17.924 1.807 1.00 0.00 C ATOM 723 OE1 GLN A 46 4.884 18.659 2.757 1.00 0.00 O ATOM 724 NE2 GLN A 46 6.247 17.982 1.161 1.00 0.00 N ATOM 0 H GLN A 46 2.544 15.137 3.002 1.00 0.00 H new ATOM 0 HA GLN A 46 3.059 14.561 0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.835 15.379 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.437 15.288 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.841 17.030 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.119 17.071 1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.418 17.366 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.965 18.643 1.458 1.00 0.00 H new ATOM 733 N LYS A 47 3.682 11.982 1.938 1.00 0.00 N ATOM 734 CA LYS A 47 4.395 10.716 2.075 1.00 0.00 C ATOM 735 C LYS A 47 4.680 9.978 0.763 1.00 0.00 C ATOM 736 O LYS A 47 5.281 8.921 0.828 1.00 0.00 O ATOM 737 CB LYS A 47 3.732 9.795 3.125 1.00 0.00 C ATOM 738 CG LYS A 47 2.231 9.508 3.028 1.00 0.00 C ATOM 739 CD LYS A 47 1.673 9.176 1.642 1.00 0.00 C ATOM 740 CE LYS A 47 1.891 7.769 1.053 1.00 0.00 C ATOM 741 NZ LYS A 47 3.191 7.105 1.319 1.00 0.00 N ATOM 0 H LYS A 47 2.780 12.001 2.413 1.00 0.00 H new ATOM 0 HA LYS A 47 5.382 10.999 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.251 8.837 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.920 10.229 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.002 8.675 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.695 10.377 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.598 9.355 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.096 9.893 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.100 7.121 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.762 7.834 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.195 6.162 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.961 7.677 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.329 7.010 2.345 1.00 0.00 H new ATOM 755 N ALA A 48 4.126 10.327 -0.404 1.00 0.00 N ATOM 756 CA ALA A 48 4.748 9.919 -1.668 1.00 0.00 C ATOM 757 C ALA A 48 5.721 10.919 -2.281 1.00 0.00 C ATOM 758 O ALA A 48 6.658 10.558 -2.984 1.00 0.00 O ATOM 759 CB ALA A 48 3.738 9.429 -2.673 1.00 0.00 C ATOM 0 H ALA A 48 3.272 10.876 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 48 5.378 9.077 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.249 9.139 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.208 8.568 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.025 10.225 -2.890 1.00 0.00 H new ATOM 765 N MET A 49 5.438 12.196 -2.093 1.00 0.00 N ATOM 766 CA MET A 49 6.300 13.288 -2.521 1.00 0.00 C ATOM 767 C MET A 49 7.598 13.337 -1.696 1.00 0.00 C ATOM 768 O MET A 49 8.500 14.095 -2.035 1.00 0.00 O ATOM 769 CB MET A 49 5.523 14.613 -2.482 1.00 0.00 C ATOM 770 CG MET A 49 4.321 14.556 -3.437 1.00 0.00 C ATOM 771 SD MET A 49 3.304 16.051 -3.472 1.00 0.00 S ATOM 772 CE MET A 49 2.190 15.589 -4.825 1.00 0.00 C ATOM 0 H MET A 49 4.586 12.511 -1.629 1.00 0.00 H new ATOM 0 HA MET A 49 6.607 13.114 -3.552 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.180 14.811 -1.467 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.180 15.436 -2.763 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.686 14.359 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.691 13.712 -3.155 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.477 16.395 -5.001 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.771 15.414 -5.731 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.651 14.680 -4.558 1.00 0.00 H new ATOM 782 N GLU A 50 7.720 12.517 -0.647 1.00 0.00 N ATOM 783 CA GLU A 50 8.986 12.199 0.000 1.00 0.00 C ATOM 784 C GLU A 50 9.940 11.446 -0.953 1.00 0.00 C ATOM 785 O GLU A 50 11.157 11.506 -0.773 1.00 0.00 O ATOM 786 CB GLU A 50 8.721 11.417 1.308 1.00 0.00 C ATOM 787 CG GLU A 50 8.332 9.934 1.110 1.00 0.00 C ATOM 788 CD GLU A 50 7.776 9.225 2.367 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.365 9.931 3.316 1.00 0.00 O ATOM 790 OE2 GLU A 50 7.704 7.971 2.355 1.00 0.00 O ATOM 0 H GLU A 50 6.921 12.049 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 50 9.493 13.129 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.615 11.463 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.924 11.917 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.585 9.874 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.209 9.388 0.763 1.00 0.00 H new ATOM 797 N TYR A 51 9.416 10.734 -1.961 1.00 0.00 N ATOM 798 CA TYR A 51 10.211 9.926 -2.879 1.00 0.00 C ATOM 799 C TYR A 51 10.765 10.787 -4.009 1.00 0.00 C ATOM 800 O TYR A 51 10.119 11.732 -4.461 1.00 0.00 O ATOM 801 CB TYR A 51 9.355 8.798 -3.485 1.00 0.00 C ATOM 802 CG TYR A 51 8.606 7.945 -2.480 1.00 0.00 C ATOM 803 CD1 TYR A 51 9.268 7.459 -1.341 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.240 7.653 -2.664 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.534 6.830 -0.328 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.505 6.984 -1.664 1.00 0.00 C ATOM 807 CZ TYR A 51 7.144 6.646 -0.450 1.00 0.00 C ATOM 808 OH TYR A 51 6.437 6.239 0.637 1.00 0.00 O ATOM 0 H TYR A 51 8.416 10.707 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 51 11.036 9.494 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.633 9.240 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.002 8.150 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.338 7.570 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.750 7.945 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.042 6.481 0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.467 6.733 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 51 6.729 6.744 1.425 1.00 0.00 H new ATOM 818 N GLY A 52 11.895 10.368 -4.584 1.00 0.00 N ATOM 819 CA GLY A 52 12.527 10.995 -5.742 1.00 0.00 C ATOM 820 C GLY A 52 11.812 10.683 -7.059 1.00 0.00 C ATOM 821 O GLY A 52 12.470 10.401 -8.055 1.00 0.00 O ATOM 0 H GLY A 52 12.410 9.556 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.550 12.075 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.562 10.660 -5.809 1.00 0.00 H new ATOM 825 N ILE A 53 10.480 10.718 -7.066 1.00 0.00 N ATOM 826 CA ILE A 53 9.628 10.553 -8.239 1.00 0.00 C ATOM 827 C ILE A 53 8.488 11.565 -8.148 1.00 0.00 C ATOM 828 O ILE A 53 8.258 12.312 -9.094 1.00 0.00 O ATOM 829 CB ILE A 53 9.153 9.081 -8.405 1.00 0.00 C ATOM 830 CG1 ILE A 53 8.031 8.936 -9.459 1.00 0.00 C ATOM 831 CG2 ILE A 53 8.685 8.407 -7.099 1.00 0.00 C ATOM 832 CD1 ILE A 53 8.502 9.289 -10.875 1.00 0.00 C ATOM 0 H ILE A 53 9.942 10.869 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 53 10.191 10.758 -9.150 1.00 0.00 H new ATOM 0 HB ILE A 53 10.052 8.565 -8.743 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.658 7.912 -9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.196 9.582 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.372 7.384 -7.309 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.505 8.395 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.846 8.965 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.674 9.170 -11.574 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.849 10.322 -10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.318 8.626 -11.163 1.00 0.00 H new ATOM 844 N MET A 54 7.775 11.589 -7.017 1.00 0.00 N ATOM 845 CA MET A 54 6.657 12.479 -6.687 1.00 0.00 C ATOM 846 C MET A 54 5.450 12.424 -7.646 1.00 0.00 C ATOM 847 O MET A 54 4.458 13.113 -7.414 1.00 0.00 O ATOM 848 CB MET A 54 7.154 13.930 -6.509 1.00 0.00 C ATOM 849 CG MET A 54 8.437 14.056 -5.679 1.00 0.00 C ATOM 850 SD MET A 54 8.964 15.758 -5.364 1.00 0.00 S ATOM 851 CE MET A 54 10.516 15.391 -4.499 1.00 0.00 C ATOM 0 H MET A 54 7.978 10.942 -6.255 1.00 0.00 H new ATOM 0 HA MET A 54 6.268 12.096 -5.744 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.326 14.367 -7.493 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.368 14.516 -6.033 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.287 13.553 -4.724 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.241 13.530 -6.194 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.886 16.295 -4.016 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.340 14.623 -3.745 1.00 0.00 H new ATOM 0 HE3 MET A 54 11.256 15.033 -5.215 1.00 0.00 H new ATOM 861 N ALA A 55 5.529 11.624 -8.711 1.00 0.00 N ATOM 862 CA ALA A 55 4.549 11.498 -9.775 1.00 0.00 C ATOM 863 C ALA A 55 3.341 10.653 -9.341 1.00 0.00 C ATOM 864 O ALA A 55 3.055 10.471 -8.156 1.00 0.00 O ATOM 865 CB ALA A 55 5.252 10.925 -11.019 1.00 0.00 C ATOM 0 H ALA A 55 6.332 11.012 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 55 4.143 12.480 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.531 10.823 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.052 11.598 -11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.672 9.947 -10.782 1.00 0.00 H new ATOM 871 N VAL A 56 2.599 10.158 -10.329 1.00 0.00 N ATOM 872 CA VAL A 56 1.360 9.402 -10.211 1.00 0.00 C ATOM 873 C VAL A 56 1.243 8.559 -11.500 1.00 0.00 C ATOM 874 O VAL A 56 1.817 8.967 -12.515 1.00 0.00 O ATOM 875 CB VAL A 56 0.205 10.424 -9.987 1.00 0.00 C ATOM 876 CG1 VAL A 56 -0.984 10.353 -10.958 1.00 0.00 C ATOM 877 CG2 VAL A 56 -0.338 10.323 -8.557 1.00 0.00 C ATOM 0 H VAL A 56 2.871 10.286 -11.304 1.00 0.00 H new ATOM 0 HA VAL A 56 1.323 8.714 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 56 0.687 11.382 -10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.716 11.116 -10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.633 10.525 -11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.447 9.368 -10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.143 11.045 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.719 9.317 -8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.462 10.535 -7.848 1.00 0.00 H new ATOM 887 N PRO A 57 0.458 7.462 -11.546 1.00 0.00 N ATOM 888 CA PRO A 57 -0.225 6.792 -10.442 1.00 0.00 C ATOM 889 C PRO A 57 0.771 6.011 -9.579 1.00 0.00 C ATOM 890 O PRO A 57 1.304 5.002 -10.023 1.00 0.00 O ATOM 891 CB PRO A 57 -1.244 5.851 -11.104 1.00 0.00 C ATOM 892 CG PRO A 57 -0.607 5.513 -12.447 1.00 0.00 C ATOM 893 CD PRO A 57 0.184 6.769 -12.799 1.00 0.00 C ATOM 0 HA PRO A 57 -0.712 7.503 -9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.411 4.956 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.212 6.335 -11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.041 4.639 -12.374 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.360 5.289 -13.202 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.112 6.511 -13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.385 7.406 -13.476 1.00 0.00 H new ATOM 901 N THR A 58 1.026 6.474 -8.361 1.00 0.00 N ATOM 902 CA THR A 58 2.099 5.972 -7.519 1.00 0.00 C ATOM 903 C THR A 58 1.529 4.877 -6.623 1.00 0.00 C ATOM 904 O THR A 58 0.441 5.026 -6.063 1.00 0.00 O ATOM 905 CB THR A 58 2.680 7.192 -6.796 1.00 0.00 C ATOM 906 OG1 THR A 58 3.459 7.876 -7.751 1.00 0.00 O ATOM 907 CG2 THR A 58 3.550 6.915 -5.576 1.00 0.00 C ATOM 0 H THR A 58 0.483 7.220 -7.926 1.00 0.00 H new ATOM 0 HA THR A 58 2.920 5.497 -8.057 1.00 0.00 H new ATOM 0 HB THR A 58 1.833 7.752 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.454 8.835 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.899 7.858 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.967 6.378 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.408 6.310 -5.870 1.00 0.00 H new ATOM 915 N ILE A 59 2.232 3.747 -6.541 1.00 0.00 N ATOM 916 CA ILE A 59 1.736 2.519 -5.944 1.00 0.00 C ATOM 917 C ILE A 59 2.853 1.974 -5.051 1.00 0.00 C ATOM 918 O ILE A 59 4.031 2.039 -5.409 1.00 0.00 O ATOM 919 CB ILE A 59 1.366 1.516 -7.067 1.00 0.00 C ATOM 920 CG1 ILE A 59 0.491 2.065 -8.214 1.00 0.00 C ATOM 921 CG2 ILE A 59 0.735 0.225 -6.506 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.927 2.461 -7.819 1.00 0.00 C ATOM 0 H ILE A 59 3.184 3.664 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 59 0.838 2.689 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 59 2.333 1.299 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.987 2.935 -8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.435 1.311 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.492 -0.448 -7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.441 -0.263 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.175 0.473 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.458 2.834 -8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.450 1.592 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.888 3.241 -7.059 1.00 0.00 H new ATOM 934 N VAL A 60 2.514 1.335 -3.940 1.00 0.00 N ATOM 935 CA VAL A 60 3.472 0.608 -3.118 1.00 0.00 C ATOM 936 C VAL A 60 3.044 -0.841 -3.222 1.00 0.00 C ATOM 937 O VAL A 60 1.889 -1.128 -2.906 1.00 0.00 O ATOM 938 CB VAL A 60 3.512 1.148 -1.675 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.387 0.286 -0.768 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.063 2.580 -1.630 1.00 0.00 C ATOM 0 H VAL A 60 1.560 1.306 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 60 4.500 0.729 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 60 2.482 1.128 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.387 0.702 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.993 -0.730 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.406 0.270 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.078 2.932 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.076 2.593 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.427 3.234 -2.227 1.00 0.00 H new ATOM 950 N ILE A 61 3.948 -1.703 -3.708 1.00 0.00 N ATOM 951 CA ILE A 61 3.794 -3.164 -3.639 1.00 0.00 C ATOM 952 C ILE A 61 4.805 -3.699 -2.633 1.00 0.00 C ATOM 953 O ILE A 61 5.904 -3.153 -2.573 1.00 0.00 O ATOM 954 CB ILE A 61 3.950 -3.823 -5.027 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.313 -3.544 -5.715 1.00 0.00 C ATOM 956 CG2 ILE A 61 2.763 -3.351 -5.883 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.411 -4.585 -5.465 1.00 0.00 C ATOM 0 H ILE A 61 4.811 -1.405 -4.162 1.00 0.00 H new ATOM 0 HA ILE A 61 2.786 -3.414 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 61 3.944 -4.906 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.148 -3.469 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.676 -2.573 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.832 -3.794 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.830 -3.660 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.785 -2.265 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.318 -4.290 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.616 -4.648 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.080 -5.558 -5.829 1.00 0.00 H new ATOM 969 N ASN A 62 4.476 -4.753 -1.872 1.00 0.00 N ATOM 970 CA ASN A 62 5.216 -5.272 -0.700 1.00 0.00 C ATOM 971 C ASN A 62 5.432 -4.265 0.461 1.00 0.00 C ATOM 972 O ASN A 62 5.235 -4.590 1.639 1.00 0.00 O ATOM 973 CB ASN A 62 6.543 -5.899 -1.150 1.00 0.00 C ATOM 974 CG ASN A 62 7.287 -6.518 0.022 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.948 -5.833 0.792 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.189 -7.821 0.202 1.00 0.00 N ATOM 0 H ASN A 62 3.638 -5.302 -2.065 1.00 0.00 H new ATOM 0 HA ASN A 62 4.567 -6.033 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.350 -6.662 -1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.167 -5.138 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.666 -8.265 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.636 -8.385 -0.444 1.00 0.00 H new ATOM 983 N GLY A 63 5.847 -3.050 0.127 1.00 0.00 N ATOM 984 CA GLY A 63 6.349 -1.972 0.952 1.00 0.00 C ATOM 985 C GLY A 63 7.218 -1.024 0.107 1.00 0.00 C ATOM 986 O GLY A 63 7.540 0.068 0.572 1.00 0.00 O ATOM 0 H GLY A 63 5.836 -2.768 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.517 -1.422 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.935 -2.377 1.777 1.00 0.00 H new ATOM 990 N ASP A 64 7.585 -1.412 -1.122 1.00 0.00 N ATOM 991 CA ASP A 64 8.376 -0.657 -2.089 1.00 0.00 C ATOM 992 C ASP A 64 7.519 0.187 -3.043 1.00 0.00 C ATOM 993 O ASP A 64 6.619 -0.332 -3.724 1.00 0.00 O ATOM 994 CB ASP A 64 9.235 -1.650 -2.878 1.00 0.00 C ATOM 995 CG ASP A 64 10.406 -0.961 -3.563 1.00 0.00 C ATOM 996 OD1 ASP A 64 10.980 -0.021 -2.967 1.00 0.00 O ATOM 997 OD2 ASP A 64 10.864 -1.483 -4.601 1.00 0.00 O ATOM 0 H ASP A 64 7.316 -2.326 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 64 8.998 0.053 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.610 -2.422 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.619 -2.150 -3.625 1.00 0.00 H new ATOM 1002 N VAL A 65 7.772 1.496 -3.102 1.00 0.00 N ATOM 1003 CA VAL A 65 7.075 2.414 -4.000 1.00 0.00 C ATOM 1004 C VAL A 65 7.580 2.240 -5.438 1.00 0.00 C ATOM 1005 O VAL A 65 8.744 1.905 -5.648 1.00 0.00 O ATOM 1006 CB VAL A 65 7.198 3.866 -3.483 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.645 4.384 -3.426 1.00 0.00 C ATOM 1008 CG2 VAL A 65 6.293 4.782 -4.325 1.00 0.00 C ATOM 0 H VAL A 65 8.475 1.952 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 65 6.011 2.177 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 65 6.863 3.874 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.650 5.408 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.232 3.752 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.080 4.359 -4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.376 5.807 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.602 4.739 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.258 4.450 -4.239 1.00 0.00 H new ATOM 1018 N GLU A 66 6.715 2.490 -6.431 1.00 0.00 N ATOM 1019 CA GLU A 66 7.011 2.519 -7.864 1.00 0.00 C ATOM 1020 C GLU A 66 5.720 2.886 -8.622 1.00 0.00 C ATOM 1021 O GLU A 66 4.634 2.859 -8.035 1.00 0.00 O ATOM 1022 CB GLU A 66 7.477 1.118 -8.331 1.00 0.00 C ATOM 1023 CG GLU A 66 8.234 1.047 -9.667 1.00 0.00 C ATOM 1024 CD GLU A 66 9.151 2.250 -9.866 1.00 0.00 C ATOM 1025 OE1 GLU A 66 10.317 2.172 -9.431 1.00 0.00 O ATOM 1026 OE2 GLU A 66 8.616 3.275 -10.341 1.00 0.00 O ATOM 0 H GLU A 66 5.733 2.689 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 66 7.796 3.249 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.117 0.697 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.600 0.475 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.824 0.131 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.518 0.996 -10.488 1.00 0.00 H new ATOM 1033 N PHE A 67 5.789 3.136 -9.928 1.00 0.00 N ATOM 1034 CA PHE A 67 4.630 3.229 -10.812 1.00 0.00 C ATOM 1035 C PHE A 67 4.927 2.500 -12.118 1.00 0.00 C ATOM 1036 O PHE A 67 6.030 2.608 -12.645 1.00 0.00 O ATOM 1037 CB PHE A 67 4.212 4.693 -11.040 1.00 0.00 C ATOM 1038 CG PHE A 67 5.045 5.609 -11.931 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.454 5.628 -11.897 1.00 0.00 C ATOM 1040 CD2 PHE A 67 4.374 6.512 -12.781 1.00 0.00 C ATOM 1041 CE1 PHE A 67 7.175 6.509 -12.723 1.00 0.00 C ATOM 1042 CE2 PHE A 67 5.093 7.404 -13.596 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.498 7.398 -13.573 1.00 0.00 C ATOM 0 H PHE A 67 6.675 3.283 -10.412 1.00 0.00 H new ATOM 0 HA PHE A 67 3.778 2.743 -10.337 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.202 4.679 -11.449 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.152 5.166 -10.060 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.984 4.962 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.294 6.519 -12.806 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.255 6.502 -12.703 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.566 8.093 -14.239 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.054 8.074 -14.206 1.00 0.00 H new ATOM 1053 N ILE A 68 3.957 1.754 -12.661 1.00 0.00 N ATOM 1054 CA ILE A 68 4.114 1.084 -13.948 1.00 0.00 C ATOM 1055 C ILE A 68 3.014 1.584 -14.888 1.00 0.00 C ATOM 1056 O ILE A 68 2.102 0.856 -15.287 1.00 0.00 O ATOM 1057 CB ILE A 68 4.229 -0.457 -13.817 1.00 0.00 C ATOM 1058 CG1 ILE A 68 5.226 -0.940 -12.730 1.00 0.00 C ATOM 1059 CG2 ILE A 68 4.586 -1.028 -15.200 1.00 0.00 C ATOM 1060 CD1 ILE A 68 6.711 -0.823 -13.087 1.00 0.00 C ATOM 0 H ILE A 68 3.050 1.601 -12.221 1.00 0.00 H new ATOM 0 HA ILE A 68 5.071 1.349 -14.397 1.00 0.00 H new ATOM 0 HB ILE A 68 3.264 -0.832 -13.476 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.045 -0.370 -11.819 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.008 -1.983 -12.502 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.673 -2.113 -15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.804 -0.769 -15.914 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.535 -0.608 -15.533 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.315 -1.188 -12.256 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.919 -1.418 -13.976 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.957 0.221 -13.283 1.00 0.00 H new ATOM 1072 N GLY A 69 3.159 2.838 -15.317 1.00 0.00 N ATOM 1073 CA GLY A 69 2.472 3.323 -16.499 1.00 0.00 C ATOM 1074 C GLY A 69 1.143 4.011 -16.190 1.00 0.00 C ATOM 1075 O GLY A 69 0.846 4.393 -15.063 1.00 0.00 O ATOM 0 H GLY A 69 3.749 3.532 -14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.121 4.023 -17.026 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.291 2.486 -17.174 1.00 0.00 H new ATOM 1079 N ALA A 70 0.334 4.175 -17.239 1.00 0.00 N ATOM 1080 CA ALA A 70 -1.034 4.667 -17.145 1.00 0.00 C ATOM 1081 C ALA A 70 -1.997 3.819 -16.279 1.00 0.00 C ATOM 1082 O ALA A 70 -2.961 4.418 -15.785 1.00 0.00 O ATOM 1083 CB ALA A 70 -1.607 4.825 -18.559 1.00 0.00 C ATOM 0 H ALA A 70 0.621 3.964 -18.195 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.965 5.622 -16.624 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.631 5.193 -18.498 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.999 5.535 -19.121 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.598 3.860 -19.065 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.865 2.480 -16.120 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.749 1.718 -15.243 1.00 0.00 C ATOM 1091 C PRO A 71 -2.317 1.949 -13.781 1.00 0.00 C ATOM 1092 O PRO A 71 -2.512 3.056 -13.288 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.675 0.284 -15.765 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.226 0.174 -16.231 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.982 1.552 -16.829 1.00 0.00 C ATOM 0 HA PRO A 71 -3.797 2.017 -15.249 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.907 -0.443 -14.987 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.377 0.113 -16.581 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.547 -0.039 -15.406 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.093 -0.620 -16.966 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.061 1.845 -16.713 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.196 1.554 -17.898 1.00 0.00 H new ATOM 1103 N THR A 72 -1.770 0.978 -13.055 1.00 0.00 N ATOM 1104 CA THR A 72 -1.203 1.144 -11.744 1.00 0.00 C ATOM 1105 C THR A 72 0.230 0.592 -11.779 1.00 0.00 C ATOM 1106 O THR A 72 1.087 1.147 -12.461 1.00 0.00 O ATOM 1107 CB THR A 72 -2.154 0.494 -10.720 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.255 -0.914 -10.777 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.581 1.048 -10.736 1.00 0.00 C ATOM 0 H THR A 72 -1.713 0.016 -13.390 1.00 0.00 H new ATOM 0 HA THR A 72 -1.112 2.184 -11.431 1.00 0.00 H new ATOM 0 HB THR A 72 -1.653 0.770 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.846 -1.238 -11.606 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.180 0.533 -9.984 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.560 2.115 -10.515 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.021 0.891 -11.721 1.00 0.00 H new ATOM 1117 N LYS A 73 0.534 -0.452 -11.010 1.00 0.00 N ATOM 1118 CA LYS A 73 1.786 -1.194 -11.028 1.00 0.00 C ATOM 1119 C LYS A 73 1.765 -2.419 -11.979 1.00 0.00 C ATOM 1120 O LYS A 73 2.633 -3.273 -11.871 1.00 0.00 O ATOM 1121 CB LYS A 73 2.161 -1.471 -9.564 1.00 0.00 C ATOM 1122 CG LYS A 73 3.601 -1.949 -9.356 1.00 0.00 C ATOM 1123 CD LYS A 73 4.640 -0.956 -8.846 1.00 0.00 C ATOM 1124 CE LYS A 73 4.291 -0.333 -7.486 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.368 -0.286 -6.468 1.00 0.00 N ATOM 0 H LYS A 73 -0.124 -0.820 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 73 2.588 -0.608 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.007 -0.561 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.481 -2.223 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.573 -2.785 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.959 -2.341 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.603 -1.461 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.758 -0.159 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.945 0.686 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.452 -0.887 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.095 -0.864 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.249 -0.659 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.517 0.698 -6.165 1.00 0.00 H new ATOM 1139 N GLU A 74 0.807 -2.553 -12.897 1.00 0.00 N ATOM 1140 CA GLU A 74 0.431 -3.768 -13.647 1.00 0.00 C ATOM 1141 C GLU A 74 1.535 -4.805 -13.949 1.00 0.00 C ATOM 1142 O GLU A 74 1.327 -5.997 -13.692 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.338 -3.391 -14.926 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.861 -3.573 -14.775 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.535 -2.646 -13.754 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -1.861 -1.769 -13.168 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.774 -2.749 -13.612 1.00 0.00 O ATOM 0 H GLU A 74 0.225 -1.758 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.206 -4.305 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.123 -2.354 -15.183 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.018 -4.004 -15.754 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.327 -3.415 -15.748 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.060 -4.606 -14.490 1.00 0.00 H new ATOM 1154 N ALA A 75 2.686 -4.400 -14.502 1.00 0.00 N ATOM 1155 CA ALA A 75 3.744 -5.357 -14.826 1.00 0.00 C ATOM 1156 C ALA A 75 4.371 -5.962 -13.562 1.00 0.00 C ATOM 1157 O ALA A 75 4.590 -7.175 -13.515 1.00 0.00 O ATOM 1158 CB ALA A 75 4.827 -4.719 -15.700 1.00 0.00 C ATOM 0 H ALA A 75 2.904 -3.430 -14.730 1.00 0.00 H new ATOM 0 HA ALA A 75 3.276 -6.163 -15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.597 -5.458 -15.922 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.383 -4.367 -16.631 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.273 -3.877 -15.170 1.00 0.00 H new ATOM 1164 N LEU A 76 4.646 -5.129 -12.550 1.00 0.00 N ATOM 1165 CA LEU A 76 5.167 -5.579 -11.254 1.00 0.00 C ATOM 1166 C LEU A 76 4.066 -6.304 -10.470 1.00 0.00 C ATOM 1167 O LEU A 76 4.357 -7.268 -9.771 1.00 0.00 O ATOM 1168 CB LEU A 76 5.696 -4.386 -10.428 1.00 0.00 C ATOM 1169 CG LEU A 76 7.038 -4.561 -9.702 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.043 -5.770 -8.769 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.211 -4.611 -10.682 1.00 0.00 C ATOM 0 H LEU A 76 4.512 -4.119 -12.608 1.00 0.00 H new ATOM 0 HA LEU A 76 5.994 -6.265 -11.438 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.785 -3.529 -11.095 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.942 -4.133 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 76 7.167 -3.677 -9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.014 -5.849 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.266 -5.650 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.852 -6.675 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.142 -4.736 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.079 -5.451 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.249 -3.683 -11.252 1.00 0.00 H new ATOM 1183 N VAL A 77 2.809 -5.874 -10.614 1.00 0.00 N ATOM 1184 CA VAL A 77 1.609 -6.535 -10.092 1.00 0.00 C ATOM 1185 C VAL A 77 1.671 -8.014 -10.470 1.00 0.00 C ATOM 1186 O VAL A 77 1.630 -8.889 -9.604 1.00 0.00 O ATOM 1187 CB VAL A 77 0.352 -5.780 -10.611 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.852 -6.613 -11.087 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.160 -4.680 -9.679 1.00 0.00 C ATOM 0 H VAL A 77 2.590 -5.016 -11.121 1.00 0.00 H new ATOM 0 HA VAL A 77 1.550 -6.498 -9.004 1.00 0.00 H new ATOM 0 HB VAL A 77 0.789 -5.344 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.648 -5.946 -11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.547 -7.253 -11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.215 -7.231 -10.265 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.038 -4.208 -10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.428 -5.115 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.620 -3.933 -9.535 1.00 0.00 H new ATOM 1199 N GLU A 78 1.848 -8.310 -11.760 1.00 0.00 N ATOM 1200 CA GLU A 78 1.884 -9.696 -12.216 1.00 0.00 C ATOM 1201 C GLU A 78 3.126 -10.447 -11.704 1.00 0.00 C ATOM 1202 O GLU A 78 3.146 -11.679 -11.720 1.00 0.00 O ATOM 1203 CB GLU A 78 1.781 -9.736 -13.750 1.00 0.00 C ATOM 1204 CG GLU A 78 0.846 -10.844 -14.261 1.00 0.00 C ATOM 1205 CD GLU A 78 -0.591 -10.673 -13.753 1.00 0.00 C ATOM 1206 OE1 GLU A 78 -1.184 -9.602 -14.022 1.00 0.00 O ATOM 1207 OE2 GLU A 78 -1.084 -11.588 -13.054 1.00 0.00 O ATOM 0 H GLU A 78 1.967 -7.615 -12.497 1.00 0.00 H new ATOM 0 HA GLU A 78 1.026 -10.219 -11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.423 -8.771 -14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.775 -9.884 -14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.846 -10.843 -15.351 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.228 -11.814 -13.943 1.00 0.00 H new ATOM 1214 N ALA A 79 4.152 -9.733 -11.223 1.00 0.00 N ATOM 1215 CA ALA A 79 5.360 -10.328 -10.681 1.00 0.00 C ATOM 1216 C ALA A 79 5.151 -10.713 -9.219 1.00 0.00 C ATOM 1217 O ALA A 79 5.436 -11.860 -8.874 1.00 0.00 O ATOM 1218 CB ALA A 79 6.570 -9.407 -10.856 1.00 0.00 C ATOM 0 H ALA A 79 4.157 -8.713 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 79 5.574 -11.237 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.455 -9.886 -10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.729 -9.213 -11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.389 -8.465 -10.338 1.00 0.00 H new ATOM 1224 N ILE A 80 4.627 -9.829 -8.356 1.00 0.00 N ATOM 1225 CA ILE A 80 4.316 -10.214 -6.982 1.00 0.00 C ATOM 1226 C ILE A 80 3.284 -11.347 -6.979 1.00 0.00 C ATOM 1227 O ILE A 80 3.385 -12.284 -6.189 1.00 0.00 O ATOM 1228 CB ILE A 80 3.938 -9.011 -6.086 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.440 -8.662 -6.039 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.759 -7.756 -6.404 1.00 0.00 C ATOM 1231 CD1 ILE A 80 2.134 -7.722 -4.869 1.00 0.00 C ATOM 0 H ILE A 80 4.414 -8.858 -8.586 1.00 0.00 H new ATOM 0 HA ILE A 80 5.223 -10.603 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 80 4.194 -9.365 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.143 -8.191 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.853 -9.575 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.452 -6.944 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.818 -7.966 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.592 -7.465 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.069 -7.490 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.410 -8.205 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.705 -6.800 -4.984 1.00 0.00 H new ATOM 1243 N LYS A 81 2.351 -11.318 -7.938 1.00 0.00 N ATOM 1244 CA LYS A 81 1.367 -12.370 -8.156 1.00 0.00 C ATOM 1245 C LYS A 81 1.987 -13.733 -8.451 1.00 0.00 C ATOM 1246 O LYS A 81 1.267 -14.726 -8.312 1.00 0.00 O ATOM 1247 CB LYS A 81 0.434 -11.939 -9.293 1.00 0.00 C ATOM 1248 CG LYS A 81 -0.673 -11.016 -8.766 1.00 0.00 C ATOM 1249 CD LYS A 81 -1.557 -10.444 -9.881 1.00 0.00 C ATOM 1250 CE LYS A 81 -2.759 -11.336 -10.219 1.00 0.00 C ATOM 1251 NZ LYS A 81 -2.365 -12.585 -10.901 1.00 0.00 N ATOM 0 H LYS A 81 2.262 -10.543 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 81 0.809 -12.500 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.007 -11.424 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.010 -12.819 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.296 -11.569 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.220 -10.194 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.917 -9.460 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.954 -10.304 -10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.295 -11.581 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.451 -10.782 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.182 -12.972 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.596 -12.386 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.039 -13.277 -10.197 1.00 0.00 H new ATOM 1265 N LYS A 82 3.254 -13.827 -8.877 1.00 0.00 N ATOM 1266 CA LYS A 82 4.017 -15.066 -8.744 1.00 0.00 C ATOM 1267 C LYS A 82 4.766 -15.051 -7.420 1.00 0.00 C ATOM 1268 O LYS A 82 4.463 -15.880 -6.558 1.00 0.00 O ATOM 1269 CB LYS A 82 4.861 -15.450 -9.981 1.00 0.00 C ATOM 1270 CG LYS A 82 5.573 -14.385 -10.833 1.00 0.00 C ATOM 1271 CD LYS A 82 7.042 -14.139 -10.455 1.00 0.00 C ATOM 1272 CE LYS A 82 7.699 -13.248 -11.517 1.00 0.00 C ATOM 1273 NZ LYS A 82 9.065 -12.856 -11.126 1.00 0.00 N ATOM 0 H LYS A 82 3.766 -13.061 -9.314 1.00 0.00 H new ATOM 0 HA LYS A 82 3.313 -15.898 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.627 -16.145 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.205 -16.005 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.527 -14.686 -11.880 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.027 -13.445 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.102 -13.662 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.574 -15.088 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.730 -13.778 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.093 -12.355 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.377 -12.055 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.073 -12.577 -10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.710 -13.659 -11.267 1.00 0.00 H new ATOM 1287 N ARG A 83 5.756 -14.174 -7.251 1.00 0.00 N ATOM 1288 CA ARG A 83 6.556 -14.056 -6.032 1.00 0.00 C ATOM 1289 C ARG A 83 6.847 -12.586 -5.775 1.00 0.00 C ATOM 1290 O ARG A 83 6.323 -12.011 -4.821 1.00 0.00 O ATOM 1291 CB ARG A 83 7.870 -14.868 -6.107 1.00 0.00 C ATOM 1292 CG ARG A 83 7.665 -16.377 -6.285 1.00 0.00 C ATOM 1293 CD ARG A 83 8.642 -17.185 -5.431 1.00 0.00 C ATOM 1294 NE ARG A 83 8.478 -18.635 -5.636 1.00 0.00 N ATOM 1295 CZ ARG A 83 7.451 -19.400 -5.244 1.00 0.00 C ATOM 1296 NH1 ARG A 83 6.406 -18.882 -4.619 1.00 0.00 N ATOM 1297 NH2 ARG A 83 7.461 -20.708 -5.461 1.00 0.00 N ATOM 0 H ARG A 83 6.030 -13.510 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 83 5.983 -14.475 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.469 -14.493 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.444 -14.695 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.642 -16.640 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.795 -16.641 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.664 -16.896 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.488 -16.947 -4.379 1.00 0.00 H new ATOM 0 HE ARG A 83 9.232 -19.110 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.371 -17.881 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.635 -19.484 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.256 -21.141 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.674 -21.281 -5.158 1.00 0.00 H new ATOM 1311 N LEU A 84 7.714 -12.013 -6.597 1.00 0.00 N ATOM 1312 CA LEU A 84 8.147 -10.632 -6.728 1.00 0.00 C ATOM 1313 C LEU A 84 8.832 -10.591 -8.089 1.00 0.00 C ATOM 1314 O LEU A 84 9.310 -9.533 -8.533 1.00 0.00 O ATOM 1315 CB LEU A 84 9.133 -10.248 -5.600 1.00 0.00 C ATOM 1316 CG LEU A 84 8.874 -8.869 -4.970 1.00 0.00 C ATOM 1317 CD1 LEU A 84 8.898 -7.724 -5.983 1.00 0.00 C ATOM 1318 CD2 LEU A 84 7.572 -8.849 -4.160 1.00 0.00 C ATOM 1319 OXT LEU A 84 8.984 -11.675 -8.702 1.00 0.00 O ATOM 0 H LEU A 84 8.197 -12.592 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 84 7.321 -9.925 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.084 -11.006 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.147 -10.267 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 84 9.707 -8.700 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.708 -6.781 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.875 -7.685 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.128 -7.889 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.425 -7.858 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.733 -9.090 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.631 -9.586 -3.359 1.00 0.00 H new TER 1331 LEU A 84