USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 54 TYR OH : rot -26:sc= 0.00136 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.051) USER MOD Set 2.1: A 14 SER OG : rot -53:sc= 0.287 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.0222 K(o=0.31,f=-0.67) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -165:sc= -2.13! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 132:sc= -0.226 USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0.116 (180deg=0) USER MOD Single : A 36 CYS SG : rot 5:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -167:sc= -0.0965 USER MOD Single : A 47 SER OG : rot 40:sc= 0.662! USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -127:sc= -4.05 (180deg=-5.84!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.917) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.0475 USER MOD Single : A 80 CYS SG : rot -120:sc=-0.00592 USER MOD Single : A 87 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.863 -8.950 9.285 1.00 0.00 N ATOM 60 CA GLY A 7 0.187 -7.798 8.713 1.00 0.00 C ATOM 61 C GLY A 7 0.637 -6.504 9.394 1.00 0.00 C ATOM 62 O GLY A 7 0.964 -6.503 10.580 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.396 -7.743 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.891 -7.914 8.821 1.00 0.00 H new ATOM 66 N VAL A 8 0.641 -5.432 8.614 1.00 0.00 N ATOM 67 CA VAL A 8 1.045 -4.134 9.127 1.00 0.00 C ATOM 68 C VAL A 8 -0.036 -3.102 8.801 1.00 0.00 C ATOM 69 O VAL A 8 -0.428 -2.953 7.645 1.00 0.00 O ATOM 70 CB VAL A 8 2.419 -3.757 8.571 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.531 -4.131 9.554 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.654 -4.404 7.205 1.00 0.00 C ATOM 0 H VAL A 8 0.371 -5.436 7.630 1.00 0.00 H new ATOM 0 HA VAL A 8 1.146 -4.166 10.212 1.00 0.00 H new ATOM 0 HB VAL A 8 2.441 -2.675 8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.497 -3.852 9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.378 -3.602 10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.511 -5.206 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.638 -4.120 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.602 -5.488 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.889 -4.066 6.506 1.00 0.00 H new ATOM 82 N MET A 9 -0.488 -2.417 9.841 1.00 0.00 N ATOM 83 CA MET A 9 -1.516 -1.403 9.680 1.00 0.00 C ATOM 84 C MET A 9 -0.936 -0.125 9.071 1.00 0.00 C ATOM 85 O MET A 9 -0.235 0.626 9.748 1.00 0.00 O ATOM 86 CB MET A 9 -2.137 -1.084 11.041 1.00 0.00 C ATOM 87 CG MET A 9 -3.255 -2.073 11.379 1.00 0.00 C ATOM 88 SD MET A 9 -3.227 -2.453 13.123 1.00 0.00 S ATOM 89 CE MET A 9 -4.947 -2.856 13.379 1.00 0.00 C ATOM 0 H MET A 9 -0.161 -2.544 10.799 1.00 0.00 H new ATOM 0 HA MET A 9 -2.279 -1.791 9.005 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.368 -1.121 11.813 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.534 -0.069 11.035 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.221 -1.649 11.106 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.132 -2.987 10.797 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.107 -3.119 14.424 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.564 -1.995 13.123 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.221 -3.700 12.746 1.00 0.00 H new ATOM 99 N VAL A 10 -1.248 0.082 7.800 1.00 0.00 N ATOM 100 CA VAL A 10 -0.766 1.256 7.093 1.00 0.00 C ATOM 101 C VAL A 10 -1.959 2.105 6.650 1.00 0.00 C ATOM 102 O VAL A 10 -3.038 1.576 6.386 1.00 0.00 O ATOM 103 CB VAL A 10 0.133 0.834 5.929 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.362 0.074 6.433 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.646 0.001 4.909 1.00 0.00 C ATOM 0 H VAL A 10 -1.829 -0.544 7.242 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.154 1.873 7.751 1.00 0.00 H new ATOM 0 HB VAL A 10 0.480 1.738 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.984 -0.214 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.936 0.714 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.043 -0.820 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.016 -0.286 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.035 -0.895 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.474 0.590 4.515 1.00 0.00 H new ATOM 115 N PHE A 11 -1.725 3.407 6.581 1.00 0.00 N ATOM 116 CA PHE A 11 -2.768 4.334 6.175 1.00 0.00 C ATOM 117 C PHE A 11 -2.719 4.587 4.666 1.00 0.00 C ATOM 118 O PHE A 11 -1.866 5.332 4.186 1.00 0.00 O ATOM 119 CB PHE A 11 -2.507 5.651 6.909 1.00 0.00 C ATOM 120 CG PHE A 11 -3.090 5.701 8.322 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.361 6.144 8.518 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.338 5.303 9.383 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.903 6.191 9.830 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.880 5.350 10.695 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.151 5.793 10.891 1.00 0.00 C ATOM 0 H PHE A 11 -0.829 3.842 6.799 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.747 3.921 6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.431 5.817 6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.926 6.470 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.958 6.460 7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.329 4.951 9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.912 6.543 9.985 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.283 5.034 11.537 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.563 5.829 11.889 1.00 0.00 H new ATOM 135 N ILE A 12 -3.644 3.952 3.962 1.00 0.00 N ATOM 136 CA ILE A 12 -3.717 4.099 2.518 1.00 0.00 C ATOM 137 C ILE A 12 -4.523 5.353 2.177 1.00 0.00 C ATOM 138 O ILE A 12 -5.592 5.582 2.743 1.00 0.00 O ATOM 139 CB ILE A 12 -4.265 2.822 1.877 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.531 1.586 2.401 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.219 2.912 0.350 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.133 1.478 1.788 1.00 0.00 C ATOM 0 H ILE A 12 -4.349 3.335 4.364 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.721 4.237 2.098 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.312 2.719 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.453 1.638 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.106 0.690 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.614 1.992 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.822 3.757 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.188 3.052 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.633 0.591 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.216 1.402 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.553 2.364 2.046 1.00 0.00 H new ATOM 154 N SER A 13 -3.981 6.134 1.255 1.00 0.00 N ATOM 155 CA SER A 13 -4.636 7.360 0.832 1.00 0.00 C ATOM 156 C SER A 13 -4.684 7.428 -0.696 1.00 0.00 C ATOM 157 O SER A 13 -4.070 6.608 -1.377 1.00 0.00 O ATOM 158 CB SER A 13 -3.922 8.590 1.395 1.00 0.00 C ATOM 159 OG SER A 13 -4.767 9.737 1.413 1.00 0.00 O ATOM 0 H SER A 13 -3.095 5.942 0.788 1.00 0.00 H new ATOM 0 HA SER A 13 -5.654 7.355 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.578 8.378 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.037 8.801 0.795 1.00 0.00 H new ATOM 0 HG SER A 13 -4.275 10.500 1.781 1.00 0.00 H new ATOM 165 N SER A 14 -5.420 8.412 -1.190 1.00 0.00 N ATOM 166 CA SER A 14 -5.557 8.598 -2.625 1.00 0.00 C ATOM 167 C SER A 14 -5.966 10.040 -2.929 1.00 0.00 C ATOM 168 O SER A 14 -6.688 10.662 -2.152 1.00 0.00 O ATOM 169 CB SER A 14 -6.577 7.621 -3.212 1.00 0.00 C ATOM 170 OG SER A 14 -7.911 8.109 -3.096 1.00 0.00 O ATOM 0 H SER A 14 -5.928 9.090 -0.622 1.00 0.00 H new ATOM 0 HA SER A 14 -4.592 8.396 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.346 7.443 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.496 6.662 -2.701 1.00 0.00 H new ATOM 0 HG SER A 14 -8.094 8.343 -2.162 1.00 0.00 H new ATOM 176 N SER A 15 -5.486 10.531 -4.063 1.00 0.00 N ATOM 177 CA SER A 15 -5.793 11.888 -4.480 1.00 0.00 C ATOM 178 C SER A 15 -7.233 11.965 -4.993 1.00 0.00 C ATOM 179 O SER A 15 -7.722 13.046 -5.319 1.00 0.00 O ATOM 180 CB SER A 15 -4.819 12.367 -5.559 1.00 0.00 C ATOM 181 OG SER A 15 -3.941 13.379 -5.074 1.00 0.00 O ATOM 0 H SER A 15 -4.887 10.013 -4.705 1.00 0.00 H new ATOM 0 HA SER A 15 -5.686 12.543 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.233 11.522 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.381 12.752 -6.410 1.00 0.00 H new ATOM 0 HG SER A 15 -3.334 13.657 -5.792 1.00 0.00 H new ATOM 187 N LEU A 16 -7.870 10.805 -5.048 1.00 0.00 N ATOM 188 CA LEU A 16 -9.244 10.728 -5.516 1.00 0.00 C ATOM 189 C LEU A 16 -10.182 11.222 -4.413 1.00 0.00 C ATOM 190 O LEU A 16 -11.043 12.065 -4.658 1.00 0.00 O ATOM 191 CB LEU A 16 -9.564 9.314 -6.007 1.00 0.00 C ATOM 192 CG LEU A 16 -8.738 8.815 -7.195 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.403 7.330 -7.044 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.447 9.111 -8.518 1.00 0.00 C ATOM 0 H LEU A 16 -7.461 9.911 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.391 11.381 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.425 8.622 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.618 9.275 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.793 9.359 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.816 7.001 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.828 7.178 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.326 6.752 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.839 8.746 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.416 8.611 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.592 10.186 -8.620 1.00 0.00 H new ATOM 206 N ASN A 17 -9.984 10.676 -3.222 1.00 0.00 N ATOM 207 CA ASN A 17 -10.802 11.051 -2.081 1.00 0.00 C ATOM 208 C ASN A 17 -9.942 11.814 -1.072 1.00 0.00 C ATOM 209 O ASN A 17 -8.817 11.412 -0.779 1.00 0.00 O ATOM 210 CB ASN A 17 -11.368 9.814 -1.380 1.00 0.00 C ATOM 211 CG ASN A 17 -10.376 8.651 -1.433 1.00 0.00 C ATOM 212 OD1 ASN A 17 -9.361 8.635 -0.756 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.725 7.680 -2.272 1.00 0.00 N ATOM 0 H ASN A 17 -9.269 9.977 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.624 11.669 -2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.598 10.053 -0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.304 9.520 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.129 6.859 -2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.589 7.756 -2.809 1.00 0.00 H new ATOM 220 N SER A 18 -10.504 12.903 -0.568 1.00 0.00 N ATOM 221 CA SER A 18 -9.803 13.726 0.403 1.00 0.00 C ATOM 222 C SER A 18 -9.893 13.090 1.791 1.00 0.00 C ATOM 223 O SER A 18 -10.554 13.624 2.681 1.00 0.00 O ATOM 224 CB SER A 18 -10.370 15.147 0.432 1.00 0.00 C ATOM 225 OG SER A 18 -9.899 15.932 -0.659 1.00 0.00 O ATOM 0 H SER A 18 -11.437 13.234 -0.814 1.00 0.00 H new ATOM 0 HA SER A 18 -8.756 13.788 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.459 15.103 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.094 15.628 1.370 1.00 0.00 H new ATOM 0 HG SER A 18 -10.285 16.831 -0.606 1.00 0.00 H new ATOM 231 N PHE A 19 -9.218 11.959 1.934 1.00 0.00 N ATOM 232 CA PHE A 19 -9.214 11.244 3.199 1.00 0.00 C ATOM 233 C PHE A 19 -8.361 9.978 3.111 1.00 0.00 C ATOM 234 O PHE A 19 -8.097 9.477 2.018 1.00 0.00 O ATOM 235 CB PHE A 19 -10.662 10.849 3.495 1.00 0.00 C ATOM 236 CG PHE A 19 -10.985 10.737 4.986 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.025 11.855 5.759 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.230 9.519 5.539 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.324 11.751 7.144 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.529 9.414 6.923 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.570 10.533 7.696 1.00 0.00 C ATOM 0 H PHE A 19 -8.670 11.520 1.194 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.797 11.877 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.328 11.585 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.872 9.893 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.829 12.822 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.197 8.631 4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.356 12.639 7.758 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.724 8.447 7.362 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.798 10.454 8.749 1.00 0.00 H new ATOM 251 N ARG A 20 -7.952 9.495 4.275 1.00 0.00 N ATOM 252 CA ARG A 20 -7.134 8.297 4.343 1.00 0.00 C ATOM 253 C ARG A 20 -7.978 7.102 4.789 1.00 0.00 C ATOM 254 O ARG A 20 -8.958 7.266 5.514 1.00 0.00 O ATOM 255 CB ARG A 20 -5.968 8.480 5.317 1.00 0.00 C ATOM 256 CG ARG A 20 -5.080 9.653 4.895 1.00 0.00 C ATOM 257 CD ARG A 20 -4.393 10.284 6.107 1.00 0.00 C ATOM 258 NE ARG A 20 -5.138 11.488 6.541 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.789 12.251 7.586 1.00 0.00 C ATOM 260 NH1 ARG A 20 -3.706 11.940 8.310 1.00 0.00 N ATOM 261 NH2 ARG A 20 -5.524 13.324 7.906 1.00 0.00 N ATOM 0 H ARG A 20 -8.172 9.912 5.179 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.734 8.112 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.353 8.654 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.375 7.566 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.328 9.308 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.682 10.403 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.343 9.563 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.367 10.552 5.855 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.969 11.753 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.147 11.123 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.440 12.521 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.349 13.560 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.259 13.905 8.701 1.00 0.00 H new ATOM 275 N SER A 21 -7.568 5.926 4.337 1.00 0.00 N ATOM 276 CA SER A 21 -8.275 4.704 4.681 1.00 0.00 C ATOM 277 C SER A 21 -7.440 3.873 5.658 1.00 0.00 C ATOM 278 O SER A 21 -6.256 4.144 5.854 1.00 0.00 O ATOM 279 CB SER A 21 -8.599 3.884 3.430 1.00 0.00 C ATOM 280 OG SER A 21 -9.801 4.322 2.802 1.00 0.00 O ATOM 0 H SER A 21 -6.755 5.793 3.735 1.00 0.00 H new ATOM 0 HA SER A 21 -9.216 4.977 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.773 3.959 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.693 2.832 3.700 1.00 0.00 H new ATOM 0 HG SER A 21 -9.973 3.775 2.007 1.00 0.00 H new ATOM 286 N GLU A 22 -8.090 2.879 6.245 1.00 0.00 N ATOM 287 CA GLU A 22 -7.422 2.007 7.196 1.00 0.00 C ATOM 288 C GLU A 22 -7.522 0.550 6.742 1.00 0.00 C ATOM 289 O GLU A 22 -8.547 -0.099 6.944 1.00 0.00 O ATOM 290 CB GLU A 22 -8.001 2.184 8.601 1.00 0.00 C ATOM 291 CG GLU A 22 -7.296 1.268 9.604 1.00 0.00 C ATOM 292 CD GLU A 22 -8.134 1.097 10.873 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.298 2.111 11.586 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.591 -0.044 11.102 1.00 0.00 O ATOM 0 H GLU A 22 -9.072 2.658 6.080 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.368 2.283 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.894 3.223 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.068 1.963 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.116 0.294 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.322 1.685 9.860 1.00 0.00 H new ATOM 301 N LYS A 23 -6.443 0.077 6.135 1.00 0.00 N ATOM 302 CA LYS A 23 -6.396 -1.292 5.650 1.00 0.00 C ATOM 303 C LYS A 23 -5.171 -1.995 6.239 1.00 0.00 C ATOM 304 O LYS A 23 -4.383 -1.380 6.956 1.00 0.00 O ATOM 305 CB LYS A 23 -6.445 -1.320 4.121 1.00 0.00 C ATOM 306 CG LYS A 23 -7.879 -1.147 3.616 1.00 0.00 C ATOM 307 CD LYS A 23 -8.394 -2.436 2.973 1.00 0.00 C ATOM 308 CE LYS A 23 -9.305 -2.129 1.783 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.630 -2.763 1.967 1.00 0.00 N ATOM 0 H LYS A 23 -5.594 0.618 5.968 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.273 -1.846 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.816 -0.526 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.039 -2.264 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.529 -0.865 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.917 -0.334 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.552 -3.044 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.940 -3.022 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.423 -1.051 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.846 -2.492 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.236 -2.545 1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.514 -3.793 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.073 -2.397 2.834 1.00 0.00 H new ATOM 323 N ARG A 24 -5.051 -3.274 5.915 1.00 0.00 N ATOM 324 CA ARG A 24 -3.935 -4.068 6.403 1.00 0.00 C ATOM 325 C ARG A 24 -3.370 -4.937 5.278 1.00 0.00 C ATOM 326 O ARG A 24 -4.117 -5.427 4.432 1.00 0.00 O ATOM 327 CB ARG A 24 -4.365 -4.965 7.565 1.00 0.00 C ATOM 328 CG ARG A 24 -3.235 -5.914 7.972 1.00 0.00 C ATOM 329 CD ARG A 24 -3.747 -7.001 8.919 1.00 0.00 C ATOM 330 NE ARG A 24 -3.457 -8.339 8.357 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.918 -9.487 8.872 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.694 -9.466 9.965 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.604 -10.655 8.295 1.00 0.00 N ATOM 0 H ARG A 24 -5.707 -3.780 5.321 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.167 -3.380 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.653 -4.349 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.244 -5.542 7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.804 -6.375 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.438 -5.350 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.273 -6.897 9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.820 -6.886 9.071 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.869 -8.391 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.933 -8.577 10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.045 -10.339 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.014 -10.671 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.955 -11.528 8.688 1.00 0.00 H new ATOM 347 N TYR A 25 -2.056 -5.103 5.304 1.00 0.00 N ATOM 348 CA TYR A 25 -1.382 -5.905 4.297 1.00 0.00 C ATOM 349 C TYR A 25 -0.132 -6.572 4.874 1.00 0.00 C ATOM 350 O TYR A 25 0.579 -5.974 5.681 1.00 0.00 O ATOM 351 CB TYR A 25 -0.963 -4.931 3.194 1.00 0.00 C ATOM 352 CG TYR A 25 -2.120 -4.117 2.610 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.875 -4.634 1.577 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.409 -2.866 3.117 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.963 -3.868 1.027 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.497 -2.100 2.568 1.00 0.00 C ATOM 357 CZ TYR A 25 -4.221 -2.639 1.550 1.00 0.00 C ATOM 358 OH TYR A 25 -5.249 -1.915 1.031 1.00 0.00 O ATOM 0 H TYR A 25 -1.440 -4.695 6.007 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.039 -6.694 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.215 -4.246 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.485 -5.492 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.650 -5.613 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.819 -2.462 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.561 -4.260 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.733 -1.120 2.955 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.173 -0.983 1.323 1.00 0.00 H new ATOM 368 N SER A 26 0.098 -7.801 4.438 1.00 0.00 N ATOM 369 CA SER A 26 1.251 -8.556 4.900 1.00 0.00 C ATOM 370 C SER A 26 2.531 -7.985 4.287 1.00 0.00 C ATOM 371 O SER A 26 2.636 -7.858 3.068 1.00 0.00 O ATOM 372 CB SER A 26 1.112 -10.040 4.554 1.00 0.00 C ATOM 373 OG SER A 26 1.984 -10.854 5.335 1.00 0.00 O ATOM 0 H SER A 26 -0.494 -8.294 3.769 1.00 0.00 H new ATOM 0 HA SER A 26 1.305 -8.467 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.081 -10.355 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.329 -10.188 3.496 1.00 0.00 H new ATOM 0 HG SER A 26 1.864 -11.794 5.086 1.00 0.00 H new ATOM 379 N ARG A 27 3.472 -7.657 5.160 1.00 0.00 N ATOM 380 CA ARG A 27 4.741 -7.103 4.719 1.00 0.00 C ATOM 381 C ARG A 27 5.300 -7.920 3.553 1.00 0.00 C ATOM 382 O ARG A 27 6.096 -7.415 2.762 1.00 0.00 O ATOM 383 CB ARG A 27 5.761 -7.089 5.859 1.00 0.00 C ATOM 384 CG ARG A 27 5.377 -6.063 6.926 1.00 0.00 C ATOM 385 CD ARG A 27 6.601 -5.628 7.735 1.00 0.00 C ATOM 386 NE ARG A 27 6.346 -5.815 9.181 1.00 0.00 N ATOM 387 CZ ARG A 27 6.462 -6.988 9.818 1.00 0.00 C ATOM 388 NH1 ARG A 27 6.831 -8.084 9.142 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.210 -7.064 11.132 1.00 0.00 N ATOM 0 H ARG A 27 3.381 -7.764 6.170 1.00 0.00 H new ATOM 0 HA ARG A 27 4.561 -6.078 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.823 -8.080 6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.750 -6.856 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.922 -5.193 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.629 -6.490 7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.472 -6.210 7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.829 -4.582 7.530 1.00 0.00 H new ATOM 0 HE ARG A 27 6.064 -5.000 9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.024 -8.026 8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.919 -8.977 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.930 -6.229 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.298 -7.957 11.617 1.00 0.00 H new ATOM 403 N SER A 28 4.863 -9.169 3.483 1.00 0.00 N ATOM 404 CA SER A 28 5.310 -10.060 2.426 1.00 0.00 C ATOM 405 C SER A 28 4.813 -9.556 1.070 1.00 0.00 C ATOM 406 O SER A 28 5.523 -9.651 0.070 1.00 0.00 O ATOM 407 CB SER A 28 4.825 -11.491 2.671 1.00 0.00 C ATOM 408 OG SER A 28 5.905 -12.418 2.732 1.00 0.00 O ATOM 0 H SER A 28 4.204 -9.585 4.141 1.00 0.00 H new ATOM 0 HA SER A 28 6.400 -10.069 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.262 -11.528 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.141 -11.783 1.874 1.00 0.00 H new ATOM 0 HG SER A 28 5.554 -13.319 2.891 1.00 0.00 H new ATOM 414 N LEU A 29 3.597 -9.030 1.080 1.00 0.00 N ATOM 415 CA LEU A 29 2.996 -8.510 -0.137 1.00 0.00 C ATOM 416 C LEU A 29 4.044 -7.713 -0.917 1.00 0.00 C ATOM 417 O LEU A 29 4.462 -6.641 -0.483 1.00 0.00 O ATOM 418 CB LEU A 29 1.732 -7.712 0.188 1.00 0.00 C ATOM 419 CG LEU A 29 0.428 -8.510 0.232 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.784 -7.578 0.303 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.337 -9.479 -0.948 1.00 0.00 C ATOM 0 H LEU A 29 3.011 -8.953 1.912 1.00 0.00 H new ATOM 0 HA LEU A 29 2.671 -9.327 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.871 -7.227 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.625 -6.920 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 29 0.426 -9.110 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.698 -8.171 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.719 -6.965 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.799 -6.933 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.600 -10.034 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.372 -8.919 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.174 -10.176 -0.912 1.00 0.00 H new ATOM 433 N THR A 30 4.436 -8.267 -2.055 1.00 0.00 N ATOM 434 CA THR A 30 5.427 -7.621 -2.899 1.00 0.00 C ATOM 435 C THR A 30 4.888 -6.293 -3.433 1.00 0.00 C ATOM 436 O THR A 30 3.730 -6.208 -3.841 1.00 0.00 O ATOM 437 CB THR A 30 5.821 -8.605 -4.003 1.00 0.00 C ATOM 438 OG1 THR A 30 4.606 -8.837 -4.710 1.00 0.00 O ATOM 439 CG2 THR A 30 6.201 -9.981 -3.453 1.00 0.00 C ATOM 0 H THR A 30 4.085 -9.156 -2.412 1.00 0.00 H new ATOM 0 HA THR A 30 6.324 -7.368 -2.334 1.00 0.00 H new ATOM 0 HB THR A 30 6.658 -8.198 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.765 -8.747 -5.673 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.472 -10.640 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.049 -9.880 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.353 -10.404 -2.914 1.00 0.00 H new ATOM 447 N ILE A 31 5.752 -5.289 -3.412 1.00 0.00 N ATOM 448 CA ILE A 31 5.377 -3.968 -3.889 1.00 0.00 C ATOM 449 C ILE A 31 4.406 -4.111 -5.062 1.00 0.00 C ATOM 450 O ILE A 31 3.426 -3.374 -5.155 1.00 0.00 O ATOM 451 CB ILE A 31 6.623 -3.144 -4.218 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.518 -2.986 -2.987 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.241 -1.793 -4.826 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.727 -2.427 -1.803 1.00 0.00 C ATOM 0 H ILE A 31 6.711 -5.363 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 31 4.855 -3.415 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 31 7.201 -3.684 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.948 -3.951 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.349 -2.321 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.145 -1.227 -5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.676 -1.954 -5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.630 -1.235 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.386 -2.324 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.319 -1.451 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.911 -3.107 -1.557 1.00 0.00 H new ATOM 466 N ALA A 32 4.712 -5.066 -5.929 1.00 0.00 N ATOM 467 CA ALA A 32 3.878 -5.315 -7.093 1.00 0.00 C ATOM 468 C ALA A 32 2.490 -5.766 -6.633 1.00 0.00 C ATOM 469 O ALA A 32 1.489 -5.129 -6.955 1.00 0.00 O ATOM 470 CB ALA A 32 4.557 -6.347 -7.996 1.00 0.00 C ATOM 0 H ALA A 32 5.525 -5.676 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 32 3.752 -4.403 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.932 -6.534 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.526 -5.967 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.697 -7.277 -7.445 1.00 0.00 H new ATOM 476 N GLU A 33 2.475 -6.861 -5.888 1.00 0.00 N ATOM 477 CA GLU A 33 1.227 -7.405 -5.382 1.00 0.00 C ATOM 478 C GLU A 33 0.485 -6.351 -4.557 1.00 0.00 C ATOM 479 O GLU A 33 -0.731 -6.211 -4.672 1.00 0.00 O ATOM 480 CB GLU A 33 1.474 -8.671 -4.559 1.00 0.00 C ATOM 481 CG GLU A 33 1.589 -9.899 -5.464 1.00 0.00 C ATOM 482 CD GLU A 33 0.278 -10.687 -5.489 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.682 -10.172 -6.102 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.265 -11.786 -4.895 1.00 0.00 O ATOM 0 H GLU A 33 3.308 -7.387 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 33 0.602 -7.680 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.388 -8.558 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.659 -8.813 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.849 -9.587 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.396 -10.541 -5.111 1.00 0.00 H new ATOM 491 N PHE A 34 1.249 -5.637 -3.743 1.00 0.00 N ATOM 492 CA PHE A 34 0.679 -4.601 -2.899 1.00 0.00 C ATOM 493 C PHE A 34 -0.227 -3.671 -3.709 1.00 0.00 C ATOM 494 O PHE A 34 -1.348 -3.378 -3.297 1.00 0.00 O ATOM 495 CB PHE A 34 1.848 -3.790 -2.336 1.00 0.00 C ATOM 496 CG PHE A 34 1.424 -2.635 -1.427 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.146 -2.567 -0.966 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.324 -1.676 -1.080 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.248 -1.495 -0.122 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.930 -0.604 -0.236 1.00 0.00 C ATOM 501 CZ PHE A 34 0.652 -0.536 0.225 1.00 0.00 C ATOM 0 H PHE A 34 2.258 -5.756 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 34 0.079 -5.053 -2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.503 -4.457 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.432 -3.391 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.569 -3.328 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.339 -1.730 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.263 -1.441 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.645 0.157 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.352 0.279 0.866 1.00 0.00 H new ATOM 511 N LYS A 35 0.293 -3.233 -4.847 1.00 0.00 N ATOM 512 CA LYS A 35 -0.455 -2.343 -5.718 1.00 0.00 C ATOM 513 C LYS A 35 -1.718 -3.056 -6.205 1.00 0.00 C ATOM 514 O LYS A 35 -2.811 -2.494 -6.154 1.00 0.00 O ATOM 515 CB LYS A 35 0.436 -1.828 -6.850 1.00 0.00 C ATOM 516 CG LYS A 35 1.708 -1.183 -6.297 1.00 0.00 C ATOM 517 CD LYS A 35 2.872 -1.335 -7.278 1.00 0.00 C ATOM 518 CE LYS A 35 3.591 -0.001 -7.487 1.00 0.00 C ATOM 519 NZ LYS A 35 3.013 0.725 -8.640 1.00 0.00 N ATOM 0 H LYS A 35 1.223 -3.478 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.779 -1.458 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.700 -2.652 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.114 -1.101 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.528 -0.126 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.969 -1.643 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.576 -2.076 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.501 -1.706 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.508 0.609 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.653 -0.176 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.676 0.690 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.114 0.280 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.842 1.716 -8.376 1.00 0.00 H new ATOM 533 N CYS A 36 -1.526 -4.283 -6.666 1.00 0.00 N ATOM 534 CA CYS A 36 -2.637 -5.079 -7.161 1.00 0.00 C ATOM 535 C CYS A 36 -3.769 -5.016 -6.134 1.00 0.00 C ATOM 536 O CYS A 36 -4.943 -5.102 -6.493 1.00 0.00 O ATOM 537 CB CYS A 36 -2.213 -6.519 -7.456 1.00 0.00 C ATOM 538 SG CYS A 36 -2.959 -7.080 -9.031 1.00 0.00 S ATOM 0 H CYS A 36 -0.618 -4.746 -6.707 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.986 -4.671 -8.109 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.126 -6.582 -7.516 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.526 -7.173 -6.642 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.591 -6.090 -9.589 1.00 0.00 H new ATOM 544 N LYS A 37 -3.377 -4.866 -4.877 1.00 0.00 N ATOM 545 CA LYS A 37 -4.345 -4.790 -3.796 1.00 0.00 C ATOM 546 C LYS A 37 -4.991 -3.403 -3.792 1.00 0.00 C ATOM 547 O LYS A 37 -6.214 -3.285 -3.732 1.00 0.00 O ATOM 548 CB LYS A 37 -3.691 -5.167 -2.465 1.00 0.00 C ATOM 549 CG LYS A 37 -3.046 -6.552 -2.544 1.00 0.00 C ATOM 550 CD LYS A 37 -3.949 -7.615 -1.913 1.00 0.00 C ATOM 551 CE LYS A 37 -3.454 -9.023 -2.248 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.549 -10.007 -2.093 1.00 0.00 N ATOM 0 H LYS A 37 -2.403 -4.795 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.145 -5.514 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.937 -4.425 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.439 -5.155 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.851 -6.807 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.083 -6.538 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.973 -7.482 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.970 -7.490 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.076 -9.049 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.623 -9.288 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.197 -10.958 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.891 -9.994 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.330 -9.762 -2.735 1.00 0.00 H new ATOM 566 N LEU A 38 -4.142 -2.389 -3.857 1.00 0.00 N ATOM 567 CA LEU A 38 -4.615 -1.015 -3.861 1.00 0.00 C ATOM 568 C LEU A 38 -5.541 -0.803 -5.061 1.00 0.00 C ATOM 569 O LEU A 38 -6.494 -0.030 -4.985 1.00 0.00 O ATOM 570 CB LEU A 38 -3.435 -0.042 -3.816 1.00 0.00 C ATOM 571 CG LEU A 38 -2.375 -0.323 -2.750 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.292 0.758 -2.755 1.00 0.00 C ATOM 573 CD2 LEU A 38 -3.015 -0.486 -1.370 1.00 0.00 C ATOM 0 H LEU A 38 -3.128 -2.491 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.201 -0.811 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.950 -0.045 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.825 0.963 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.888 -1.268 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.551 0.534 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.808 0.783 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.745 1.728 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.239 -0.685 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.544 0.429 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.718 -1.318 -1.391 1.00 0.00 H new ATOM 585 N GLU A 39 -5.228 -1.504 -6.141 1.00 0.00 N ATOM 586 CA GLU A 39 -6.020 -1.403 -7.355 1.00 0.00 C ATOM 587 C GLU A 39 -7.509 -1.318 -7.011 1.00 0.00 C ATOM 588 O GLU A 39 -8.266 -0.620 -7.683 1.00 0.00 O ATOM 589 CB GLU A 39 -5.740 -2.579 -8.292 1.00 0.00 C ATOM 590 CG GLU A 39 -4.364 -2.442 -8.948 1.00 0.00 C ATOM 591 CD GLU A 39 -4.270 -3.299 -10.211 1.00 0.00 C ATOM 592 OE1 GLU A 39 -3.932 -4.493 -10.063 1.00 0.00 O ATOM 593 OE2 GLU A 39 -4.539 -2.741 -11.297 1.00 0.00 O ATOM 0 H GLU A 39 -4.436 -2.144 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.735 -0.490 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.789 -3.514 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.511 -2.627 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.179 -1.397 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.589 -2.742 -8.242 1.00 0.00 H new ATOM 600 N LEU A 40 -7.884 -2.040 -5.966 1.00 0.00 N ATOM 601 CA LEU A 40 -9.269 -2.055 -5.525 1.00 0.00 C ATOM 602 C LEU A 40 -9.503 -0.897 -4.553 1.00 0.00 C ATOM 603 O LEU A 40 -10.452 -0.131 -4.712 1.00 0.00 O ATOM 604 CB LEU A 40 -9.632 -3.425 -4.948 1.00 0.00 C ATOM 605 CG LEU A 40 -9.817 -4.554 -5.965 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.619 -5.921 -5.308 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.173 -4.445 -6.665 1.00 0.00 C ATOM 0 H LEU A 40 -7.253 -2.619 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.940 -1.902 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.852 -3.720 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.554 -3.323 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.050 -4.452 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.756 -6.706 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.612 -5.984 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.348 -6.049 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.279 -5.259 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.971 -4.508 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.237 -3.491 -7.187 1.00 0.00 H new ATOM 619 N VAL A 41 -8.621 -0.805 -3.569 1.00 0.00 N ATOM 620 CA VAL A 41 -8.720 0.247 -2.571 1.00 0.00 C ATOM 621 C VAL A 41 -9.102 1.560 -3.258 1.00 0.00 C ATOM 622 O VAL A 41 -9.869 2.351 -2.710 1.00 0.00 O ATOM 623 CB VAL A 41 -7.413 0.344 -1.781 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.423 1.560 -0.852 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.150 -0.943 -0.997 1.00 0.00 C ATOM 0 H VAL A 41 -7.834 -1.442 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.504 0.017 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.599 0.474 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.483 1.606 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.542 2.468 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.251 1.473 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.215 -0.848 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.968 -1.117 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.079 -1.782 -1.689 1.00 0.00 H new ATOM 635 N VAL A 42 -8.551 1.751 -4.447 1.00 0.00 N ATOM 636 CA VAL A 42 -8.825 2.955 -5.214 1.00 0.00 C ATOM 637 C VAL A 42 -9.660 2.592 -6.443 1.00 0.00 C ATOM 638 O VAL A 42 -10.301 3.456 -7.039 1.00 0.00 O ATOM 639 CB VAL A 42 -7.513 3.659 -5.569 1.00 0.00 C ATOM 640 CG1 VAL A 42 -7.042 4.552 -4.420 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.434 2.645 -5.953 1.00 0.00 C ATOM 0 H VAL A 42 -7.916 1.093 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.407 3.661 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.698 4.296 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.108 5.040 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.799 5.308 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.883 3.945 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.512 3.171 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.254 1.971 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.767 2.069 -6.817 1.00 0.00 H new ATOM 651 N GLY A 43 -9.626 1.313 -6.786 1.00 0.00 N ATOM 652 CA GLY A 43 -10.372 0.825 -7.934 1.00 0.00 C ATOM 653 C GLY A 43 -9.710 1.259 -9.243 1.00 0.00 C ATOM 654 O GLY A 43 -10.358 1.299 -10.287 1.00 0.00 O ATOM 0 H GLY A 43 -9.093 0.599 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.433 -0.263 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.393 1.203 -7.896 1.00 0.00 H new ATOM 658 N SER A 44 -8.426 1.574 -9.144 1.00 0.00 N ATOM 659 CA SER A 44 -7.669 2.003 -10.307 1.00 0.00 C ATOM 660 C SER A 44 -6.551 1.001 -10.603 1.00 0.00 C ATOM 661 O SER A 44 -6.337 0.062 -9.839 1.00 0.00 O ATOM 662 CB SER A 44 -7.087 3.402 -10.099 1.00 0.00 C ATOM 663 OG SER A 44 -7.419 3.934 -8.820 1.00 0.00 O ATOM 0 H SER A 44 -7.892 1.540 -8.276 1.00 0.00 H new ATOM 0 HA SER A 44 -8.346 2.044 -11.160 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.003 3.363 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.459 4.069 -10.877 1.00 0.00 H new ATOM 0 HG SER A 44 -7.218 4.893 -8.802 1.00 0.00 H new ATOM 669 N PRO A 45 -5.851 1.242 -11.744 1.00 0.00 N ATOM 670 CA PRO A 45 -4.760 0.372 -12.150 1.00 0.00 C ATOM 671 C PRO A 45 -3.516 0.615 -11.293 1.00 0.00 C ATOM 672 O PRO A 45 -3.148 1.761 -11.038 1.00 0.00 O ATOM 673 CB PRO A 45 -4.538 0.681 -13.621 1.00 0.00 C ATOM 674 CG PRO A 45 -5.190 2.032 -13.867 1.00 0.00 C ATOM 675 CD PRO A 45 -6.077 2.345 -12.673 1.00 0.00 C ATOM 0 HA PRO A 45 -4.989 -0.684 -12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.474 0.712 -13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.983 -0.088 -14.253 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.432 2.805 -13.992 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.778 2.011 -14.784 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.812 3.302 -12.223 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.125 2.409 -12.964 1.00 0.00 H new ATOM 683 N ALA A 46 -2.903 -0.481 -10.872 1.00 0.00 N ATOM 684 CA ALA A 46 -1.708 -0.402 -10.050 1.00 0.00 C ATOM 685 C ALA A 46 -0.507 -0.064 -10.934 1.00 0.00 C ATOM 686 O ALA A 46 0.517 0.410 -10.443 1.00 0.00 O ATOM 687 CB ALA A 46 -1.522 -1.717 -9.291 1.00 0.00 C ATOM 0 H ALA A 46 -3.212 -1.429 -11.085 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.805 0.391 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.625 -1.657 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.389 -1.896 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.419 -2.536 -10.002 1.00 0.00 H new ATOM 693 N SER A 47 -0.671 -0.321 -12.224 1.00 0.00 N ATOM 694 CA SER A 47 0.388 -0.050 -13.181 1.00 0.00 C ATOM 695 C SER A 47 0.432 1.445 -13.503 1.00 0.00 C ATOM 696 O SER A 47 1.255 1.888 -14.304 1.00 0.00 O ATOM 697 CB SER A 47 0.193 -0.863 -14.463 1.00 0.00 C ATOM 698 OG SER A 47 0.203 -0.039 -15.625 1.00 0.00 O ATOM 0 H SER A 47 -1.521 -0.714 -12.628 1.00 0.00 H new ATOM 0 HA SER A 47 1.337 -0.347 -12.735 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.983 -1.610 -14.542 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.752 -1.403 -14.410 1.00 0.00 H new ATOM 0 HG SER A 47 0.893 0.650 -15.531 1.00 0.00 H new ATOM 704 N CYS A 48 -0.464 2.183 -12.863 1.00 0.00 N ATOM 705 CA CYS A 48 -0.537 3.619 -13.072 1.00 0.00 C ATOM 706 C CYS A 48 -0.247 4.313 -11.739 1.00 0.00 C ATOM 707 O CYS A 48 0.766 4.996 -11.599 1.00 0.00 O ATOM 708 CB CYS A 48 -1.890 4.038 -13.651 1.00 0.00 C ATOM 709 SG CYS A 48 -1.894 3.802 -15.466 1.00 0.00 S ATOM 0 H CYS A 48 -1.145 1.813 -12.200 1.00 0.00 H new ATOM 0 HA CYS A 48 0.208 3.921 -13.808 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.687 3.449 -13.198 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.090 5.082 -13.411 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.048 4.158 -15.947 1.00 0.00 H new ATOM 715 N MET A 49 -1.155 4.114 -10.795 1.00 0.00 N ATOM 716 CA MET A 49 -1.009 4.712 -9.479 1.00 0.00 C ATOM 717 C MET A 49 0.424 4.563 -8.964 1.00 0.00 C ATOM 718 O MET A 49 1.138 3.644 -9.363 1.00 0.00 O ATOM 719 CB MET A 49 -1.976 4.039 -8.502 1.00 0.00 C ATOM 720 CG MET A 49 -1.317 2.839 -7.819 1.00 0.00 C ATOM 721 SD MET A 49 -2.461 2.084 -6.675 1.00 0.00 S ATOM 722 CE MET A 49 -3.671 1.446 -7.821 1.00 0.00 C ATOM 0 H MET A 49 -1.994 3.547 -10.915 1.00 0.00 H new ATOM 0 HA MET A 49 -1.238 5.775 -9.556 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.298 4.759 -7.750 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.869 3.714 -9.035 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.004 2.111 -8.567 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.419 3.159 -7.290 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.663 1.795 -7.534 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.440 1.797 -8.827 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.650 0.356 -7.803 1.00 0.00 H new ATOM 732 N GLU A 50 0.802 5.480 -8.086 1.00 0.00 N ATOM 733 CA GLU A 50 2.137 5.462 -7.513 1.00 0.00 C ATOM 734 C GLU A 50 2.062 5.232 -6.002 1.00 0.00 C ATOM 735 O GLU A 50 1.011 5.422 -5.393 1.00 0.00 O ATOM 736 CB GLU A 50 2.889 6.755 -7.834 1.00 0.00 C ATOM 737 CG GLU A 50 4.381 6.484 -8.038 1.00 0.00 C ATOM 738 CD GLU A 50 4.615 5.593 -9.260 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.294 6.061 -10.374 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.110 4.464 -9.052 1.00 0.00 O ATOM 0 H GLU A 50 0.207 6.240 -7.757 1.00 0.00 H new ATOM 0 HA GLU A 50 2.692 4.637 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.472 7.209 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.753 7.470 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.912 7.428 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.792 6.004 -7.150 1.00 0.00 H new ATOM 747 N LEU A 51 3.192 4.827 -5.441 1.00 0.00 N ATOM 748 CA LEU A 51 3.268 4.569 -4.013 1.00 0.00 C ATOM 749 C LEU A 51 4.216 5.582 -3.366 1.00 0.00 C ATOM 750 O LEU A 51 5.226 5.959 -3.959 1.00 0.00 O ATOM 751 CB LEU A 51 3.654 3.112 -3.751 1.00 0.00 C ATOM 752 CG LEU A 51 2.678 2.056 -4.273 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.993 0.679 -3.684 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.229 2.472 -4.015 1.00 0.00 C ATOM 0 H LEU A 51 4.062 4.671 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 51 2.291 4.704 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.630 2.929 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.766 2.974 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 51 2.803 1.980 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.284 -0.053 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.005 0.387 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.914 0.721 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.556 1.703 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.071 2.594 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.026 3.416 -4.521 1.00 0.00 H new ATOM 766 N GLU A 52 3.856 5.994 -2.160 1.00 0.00 N ATOM 767 CA GLU A 52 4.661 6.955 -1.426 1.00 0.00 C ATOM 768 C GLU A 52 4.682 6.604 0.063 1.00 0.00 C ATOM 769 O GLU A 52 3.637 6.354 0.661 1.00 0.00 O ATOM 770 CB GLU A 52 4.149 8.380 -1.645 1.00 0.00 C ATOM 771 CG GLU A 52 4.260 8.782 -3.118 1.00 0.00 C ATOM 772 CD GLU A 52 4.722 10.234 -3.256 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.304 11.046 -2.403 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.481 10.499 -4.213 1.00 0.00 O ATOM 0 H GLU A 52 3.017 5.680 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 52 5.682 6.908 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.110 8.451 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.722 9.075 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.963 8.123 -3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.294 8.656 -3.607 1.00 0.00 H new ATOM 781 N LEU A 53 5.885 6.595 0.619 1.00 0.00 N ATOM 782 CA LEU A 53 6.057 6.278 2.027 1.00 0.00 C ATOM 783 C LEU A 53 6.342 7.565 2.804 1.00 0.00 C ATOM 784 O LEU A 53 7.432 8.125 2.705 1.00 0.00 O ATOM 785 CB LEU A 53 7.128 5.201 2.207 1.00 0.00 C ATOM 786 CG LEU A 53 7.768 5.116 3.594 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.766 4.602 4.629 1.00 0.00 C ATOM 788 CD2 LEU A 53 9.042 4.270 3.559 1.00 0.00 C ATOM 0 H LEU A 53 6.750 6.802 0.120 1.00 0.00 H new ATOM 0 HA LEU A 53 5.140 5.854 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.684 4.233 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.917 5.375 1.475 1.00 0.00 H new ATOM 0 HG LEU A 53 8.058 6.121 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.246 4.551 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.914 5.280 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.423 3.608 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.477 4.226 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.800 3.262 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.758 4.719 2.871 1.00 0.00 H new ATOM 800 N TYR A 54 5.342 7.996 3.559 1.00 0.00 N ATOM 801 CA TYR A 54 5.472 9.206 4.352 1.00 0.00 C ATOM 802 C TYR A 54 5.972 8.886 5.762 1.00 0.00 C ATOM 803 O TYR A 54 5.664 7.829 6.310 1.00 0.00 O ATOM 804 CB TYR A 54 4.066 9.802 4.446 1.00 0.00 C ATOM 805 CG TYR A 54 3.637 10.583 3.202 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.701 9.988 1.958 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.187 11.881 3.324 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.297 10.722 0.787 1.00 0.00 C ATOM 809 CE2 TYR A 54 2.783 12.616 2.153 1.00 0.00 C ATOM 810 CZ TYR A 54 2.858 12.000 0.942 1.00 0.00 C ATOM 811 OH TYR A 54 2.476 12.694 -0.163 1.00 0.00 O ATOM 0 H TYR A 54 4.439 7.529 3.638 1.00 0.00 H new ATOM 0 HA TYR A 54 6.186 9.890 3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.352 8.997 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.020 10.463 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.054 8.972 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.138 12.346 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.342 10.268 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.429 13.633 2.234 1.00 0.00 H new ATOM 0 HH TYR A 54 2.946 12.343 -0.948 1.00 0.00 H new ATOM 821 N GLY A 55 6.737 9.820 6.311 1.00 0.00 N ATOM 822 CA GLY A 55 7.283 9.650 7.646 1.00 0.00 C ATOM 823 C GLY A 55 6.200 9.847 8.710 1.00 0.00 C ATOM 824 O GLY A 55 5.048 9.471 8.505 1.00 0.00 O ATOM 0 H GLY A 55 6.991 10.696 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.715 8.654 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.090 10.365 7.807 1.00 0.00 H new ATOM 828 N ALA A 56 6.610 10.436 9.824 1.00 0.00 N ATOM 829 CA ALA A 56 5.690 10.687 10.920 1.00 0.00 C ATOM 830 C ALA A 56 4.863 11.937 10.610 1.00 0.00 C ATOM 831 O ALA A 56 3.653 11.850 10.409 1.00 0.00 O ATOM 832 CB ALA A 56 6.476 10.818 12.226 1.00 0.00 C ATOM 0 H ALA A 56 7.567 10.747 9.991 1.00 0.00 H new ATOM 0 HA ALA A 56 4.997 9.854 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.786 11.006 13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.023 9.895 12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.180 11.647 12.146 1.00 0.00 H new ATOM 838 N ASP A 57 5.550 13.070 10.581 1.00 0.00 N ATOM 839 CA ASP A 57 4.894 14.335 10.299 1.00 0.00 C ATOM 840 C ASP A 57 4.632 14.445 8.796 1.00 0.00 C ATOM 841 O ASP A 57 5.049 15.411 8.158 1.00 0.00 O ATOM 842 CB ASP A 57 5.774 15.516 10.713 1.00 0.00 C ATOM 843 CG ASP A 57 5.017 16.805 11.038 1.00 0.00 C ATOM 844 OD1 ASP A 57 4.006 17.059 10.348 1.00 0.00 O ATOM 845 OD2 ASP A 57 5.465 17.507 11.970 1.00 0.00 O ATOM 0 H ASP A 57 6.554 13.138 10.748 1.00 0.00 H new ATOM 0 HA ASP A 57 3.962 14.364 10.863 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.358 15.226 11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.482 15.721 9.910 1.00 0.00 H new ATOM 850 N ASP A 58 3.942 13.442 8.273 1.00 0.00 N ATOM 851 CA ASP A 58 3.619 13.413 6.857 1.00 0.00 C ATOM 852 C ASP A 58 4.803 13.960 6.057 1.00 0.00 C ATOM 853 O ASP A 58 4.786 15.111 5.623 1.00 0.00 O ATOM 854 CB ASP A 58 2.400 14.286 6.552 1.00 0.00 C ATOM 855 CG ASP A 58 1.049 13.584 6.699 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.051 12.335 6.655 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.044 14.312 6.853 1.00 0.00 O ATOM 0 H ASP A 58 3.598 12.643 8.805 1.00 0.00 H new ATOM 0 HA ASP A 58 3.402 12.381 6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.417 15.151 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.488 14.663 5.533 1.00 0.00 H new ATOM 862 N LYS A 59 5.804 13.109 5.887 1.00 0.00 N ATOM 863 CA LYS A 59 6.995 13.492 5.147 1.00 0.00 C ATOM 864 C LYS A 59 7.423 12.334 4.244 1.00 0.00 C ATOM 865 O LYS A 59 7.934 11.323 4.725 1.00 0.00 O ATOM 866 CB LYS A 59 8.091 13.964 6.104 1.00 0.00 C ATOM 867 CG LYS A 59 9.480 13.729 5.505 1.00 0.00 C ATOM 868 CD LYS A 59 10.571 14.308 6.408 1.00 0.00 C ATOM 869 CE LYS A 59 11.730 14.865 5.579 1.00 0.00 C ATOM 870 NZ LYS A 59 12.968 14.096 5.836 1.00 0.00 N ATOM 0 H LYS A 59 5.815 12.155 6.249 1.00 0.00 H new ATOM 0 HA LYS A 59 6.784 14.342 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.959 15.024 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.005 13.433 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.645 12.660 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.537 14.189 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.151 15.098 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.940 13.534 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.481 14.820 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.889 15.915 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.744 14.487 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.213 14.160 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.817 13.100 5.579 1.00 0.00 H new ATOM 884 N PHE A 60 7.200 12.520 2.951 1.00 0.00 N ATOM 885 CA PHE A 60 7.557 11.503 1.976 1.00 0.00 C ATOM 886 C PHE A 60 9.022 11.088 2.129 1.00 0.00 C ATOM 887 O PHE A 60 9.889 11.929 2.361 1.00 0.00 O ATOM 888 CB PHE A 60 7.356 12.121 0.591 1.00 0.00 C ATOM 889 CG PHE A 60 7.991 11.319 -0.546 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.483 10.105 -0.889 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.064 11.820 -1.215 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.073 9.360 -1.944 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.654 11.076 -2.271 1.00 0.00 C ATOM 894 CZ PHE A 60 9.146 9.862 -2.613 1.00 0.00 C ATOM 0 H PHE A 60 6.777 13.360 2.556 1.00 0.00 H new ATOM 0 HA PHE A 60 6.939 10.617 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.287 12.219 0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.774 13.128 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.630 9.707 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.468 12.784 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.670 8.395 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.506 11.474 -2.802 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.594 9.296 -3.416 1.00 0.00 H new ATOM 904 N TYR A 61 9.254 9.790 1.991 1.00 0.00 N ATOM 905 CA TYR A 61 10.598 9.254 2.111 1.00 0.00 C ATOM 906 C TYR A 61 11.098 8.723 0.765 1.00 0.00 C ATOM 907 O TYR A 61 11.854 9.399 0.069 1.00 0.00 O ATOM 908 CB TYR A 61 10.502 8.091 3.100 1.00 0.00 C ATOM 909 CG TYR A 61 10.590 8.514 4.568 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.499 9.848 4.908 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.760 7.561 5.551 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.581 10.246 6.289 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.842 7.959 6.933 1.00 0.00 C ATOM 914 CZ TYR A 61 10.749 9.282 7.234 1.00 0.00 C ATOM 915 OH TYR A 61 10.827 9.658 8.538 1.00 0.00 O ATOM 0 H TYR A 61 8.533 9.095 1.797 1.00 0.00 H new ATOM 0 HA TYR A 61 11.292 10.027 2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.560 7.568 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.301 7.381 2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.366 10.594 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.832 6.517 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.511 11.287 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.974 7.223 7.713 1.00 0.00 H new ATOM 0 HH TYR A 61 10.946 8.864 9.101 1.00 0.00 H new ATOM 925 N SER A 62 10.656 7.517 0.440 1.00 0.00 N ATOM 926 CA SER A 62 11.049 6.888 -0.810 1.00 0.00 C ATOM 927 C SER A 62 9.806 6.453 -1.590 1.00 0.00 C ATOM 928 O SER A 62 8.683 6.622 -1.119 1.00 0.00 O ATOM 929 CB SER A 62 11.964 5.688 -0.558 1.00 0.00 C ATOM 930 OG SER A 62 13.342 6.036 -0.670 1.00 0.00 O ATOM 0 H SER A 62 10.030 6.959 1.020 1.00 0.00 H new ATOM 0 HA SER A 62 11.604 7.617 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.771 5.287 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.730 4.897 -1.271 1.00 0.00 H new ATOM 0 HG SER A 62 13.894 5.244 -0.501 1.00 0.00 H new ATOM 936 N LYS A 63 10.051 5.901 -2.769 1.00 0.00 N ATOM 937 CA LYS A 63 8.966 5.440 -3.619 1.00 0.00 C ATOM 938 C LYS A 63 8.939 3.911 -3.620 1.00 0.00 C ATOM 939 O LYS A 63 9.973 3.268 -3.794 1.00 0.00 O ATOM 940 CB LYS A 63 9.082 6.054 -5.016 1.00 0.00 C ATOM 941 CG LYS A 63 8.628 7.515 -5.012 1.00 0.00 C ATOM 942 CD LYS A 63 7.511 7.745 -6.032 1.00 0.00 C ATOM 943 CE LYS A 63 7.772 9.009 -6.855 1.00 0.00 C ATOM 944 NZ LYS A 63 6.620 9.934 -6.763 1.00 0.00 N ATOM 0 H LYS A 63 10.985 5.762 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 63 8.006 5.776 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.114 5.991 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.476 5.483 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.278 7.788 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.474 8.163 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.437 6.884 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.555 7.834 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.674 9.505 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.949 8.742 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.887 10.861 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.821 9.549 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.341 10.043 -5.767 1.00 0.00 H new ATOM 958 N LEU A 64 7.744 3.372 -3.424 1.00 0.00 N ATOM 959 CA LEU A 64 7.569 1.930 -3.399 1.00 0.00 C ATOM 960 C LEU A 64 7.310 1.428 -4.821 1.00 0.00 C ATOM 961 O LEU A 64 6.217 0.952 -5.126 1.00 0.00 O ATOM 962 CB LEU A 64 6.477 1.539 -2.401 1.00 0.00 C ATOM 963 CG LEU A 64 6.755 1.881 -0.936 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.236 2.192 -0.717 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.852 3.020 -0.458 1.00 0.00 C ATOM 0 H LEU A 64 6.888 3.908 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 64 8.478 1.442 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.549 2.028 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.310 0.465 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 64 6.518 1.007 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.406 2.432 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.835 1.324 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.524 3.042 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.070 3.243 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.034 3.907 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.808 2.722 -0.555 1.00 0.00 H new ATOM 977 N ASP A 65 8.333 1.552 -5.654 1.00 0.00 N ATOM 978 CA ASP A 65 8.230 1.117 -7.036 1.00 0.00 C ATOM 979 C ASP A 65 8.832 -0.283 -7.172 1.00 0.00 C ATOM 980 O ASP A 65 8.221 -1.171 -7.765 1.00 0.00 O ATOM 981 CB ASP A 65 9.000 2.055 -7.968 1.00 0.00 C ATOM 982 CG ASP A 65 9.662 1.375 -9.168 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.980 1.275 -10.211 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.835 0.970 -9.015 1.00 0.00 O ATOM 0 H ASP A 65 9.238 1.948 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 65 7.176 1.120 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.316 2.820 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.769 2.566 -7.389 1.00 0.00 H new ATOM 989 N GLN A 66 10.024 -0.437 -6.614 1.00 0.00 N ATOM 990 CA GLN A 66 10.716 -1.713 -6.665 1.00 0.00 C ATOM 991 C GLN A 66 9.730 -2.861 -6.439 1.00 0.00 C ATOM 992 O GLN A 66 9.257 -3.066 -5.322 1.00 0.00 O ATOM 993 CB GLN A 66 11.856 -1.761 -5.646 1.00 0.00 C ATOM 994 CG GLN A 66 12.612 -3.089 -5.730 1.00 0.00 C ATOM 995 CD GLN A 66 13.819 -2.974 -6.663 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.933 -2.700 -6.248 1.00 0.00 O ATOM 997 NE2 GLN A 66 13.536 -3.199 -7.943 1.00 0.00 N ATOM 0 H GLN A 66 10.528 0.302 -6.124 1.00 0.00 H new ATOM 0 HA GLN A 66 11.155 -1.826 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.544 -0.935 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.456 -1.629 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.944 -3.386 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.943 -3.871 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.581 -3.424 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.274 -3.147 -8.645 1.00 0.00 H new ATOM 1006 N GLU A 67 9.449 -3.579 -7.517 1.00 0.00 N ATOM 1007 CA GLU A 67 8.528 -4.700 -7.449 1.00 0.00 C ATOM 1008 C GLU A 67 9.185 -5.886 -6.740 1.00 0.00 C ATOM 1009 O GLU A 67 8.554 -6.552 -5.921 1.00 0.00 O ATOM 1010 CB GLU A 67 8.044 -5.096 -8.846 1.00 0.00 C ATOM 1011 CG GLU A 67 7.442 -3.896 -9.579 1.00 0.00 C ATOM 1012 CD GLU A 67 7.986 -3.795 -11.005 1.00 0.00 C ATOM 1013 OE1 GLU A 67 7.756 -4.758 -11.769 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.618 -2.758 -11.300 1.00 0.00 O ATOM 0 H GLU A 67 9.843 -3.406 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 67 7.656 -4.394 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.877 -5.498 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.300 -5.888 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.356 -3.989 -9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.670 -2.980 -9.033 1.00 0.00 H new ATOM 1021 N ASP A 68 10.445 -6.113 -7.081 1.00 0.00 N ATOM 1022 CA ASP A 68 11.195 -7.207 -6.487 1.00 0.00 C ATOM 1023 C ASP A 68 11.341 -6.962 -4.983 1.00 0.00 C ATOM 1024 O ASP A 68 11.743 -7.857 -4.241 1.00 0.00 O ATOM 1025 CB ASP A 68 12.599 -7.303 -7.088 1.00 0.00 C ATOM 1026 CG ASP A 68 12.806 -8.463 -8.064 1.00 0.00 C ATOM 1027 OD1 ASP A 68 13.185 -9.551 -7.580 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.580 -8.235 -9.272 1.00 0.00 O ATOM 0 H ASP A 68 10.965 -5.558 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 68 10.654 -8.133 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.822 -6.369 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.320 -7.398 -6.276 1.00 0.00 H new ATOM 1033 N ALA A 69 11.008 -5.745 -4.579 1.00 0.00 N ATOM 1034 CA ALA A 69 11.096 -5.371 -3.178 1.00 0.00 C ATOM 1035 C ALA A 69 9.850 -5.867 -2.442 1.00 0.00 C ATOM 1036 O ALA A 69 8.790 -6.026 -3.046 1.00 0.00 O ATOM 1037 CB ALA A 69 11.277 -3.856 -3.064 1.00 0.00 C ATOM 0 H ALA A 69 10.677 -5.005 -5.198 1.00 0.00 H new ATOM 0 HA ALA A 69 11.962 -5.839 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.343 -3.576 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.192 -3.559 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.425 -3.352 -3.521 1.00 0.00 H new ATOM 1043 N LEU A 70 10.018 -6.098 -1.148 1.00 0.00 N ATOM 1044 CA LEU A 70 8.920 -6.572 -0.324 1.00 0.00 C ATOM 1045 C LEU A 70 8.537 -5.486 0.683 1.00 0.00 C ATOM 1046 O LEU A 70 9.405 -4.882 1.310 1.00 0.00 O ATOM 1047 CB LEU A 70 9.276 -7.912 0.323 1.00 0.00 C ATOM 1048 CG LEU A 70 9.737 -9.016 -0.630 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.392 -10.166 0.138 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.582 -9.499 -1.510 1.00 0.00 C ATOM 0 H LEU A 70 10.898 -5.966 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 70 8.039 -6.763 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.064 -7.741 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.404 -8.272 0.869 1.00 0.00 H new ATOM 0 HG LEU A 70 10.495 -8.599 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.710 -10.937 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.258 -9.792 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.675 -10.589 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.937 -10.284 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.784 -9.892 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.201 -8.665 -2.100 1.00 0.00 H new ATOM 1062 N LEU A 71 7.235 -5.270 0.806 1.00 0.00 N ATOM 1063 CA LEU A 71 6.726 -4.267 1.726 1.00 0.00 C ATOM 1064 C LEU A 71 7.288 -4.532 3.124 1.00 0.00 C ATOM 1065 O LEU A 71 6.806 -5.414 3.833 1.00 0.00 O ATOM 1066 CB LEU A 71 5.198 -4.220 1.675 1.00 0.00 C ATOM 1067 CG LEU A 71 4.569 -2.825 1.696 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.059 -2.908 1.927 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.258 -1.928 2.726 1.00 0.00 C ATOM 0 H LEU A 71 6.517 -5.773 0.284 1.00 0.00 H new ATOM 0 HA LEU A 71 7.062 -3.273 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.868 -4.732 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.808 -4.785 2.522 1.00 0.00 H new ATOM 0 HG LEU A 71 4.721 -2.367 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.637 -1.903 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.600 -3.486 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.863 -3.394 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.792 -0.943 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.160 -2.370 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.314 -1.831 2.475 1.00 0.00 H new ATOM 1081 N GLY A 72 8.299 -3.752 3.479 1.00 0.00 N ATOM 1082 CA GLY A 72 8.931 -3.892 4.780 1.00 0.00 C ATOM 1083 C GLY A 72 10.387 -3.426 4.734 1.00 0.00 C ATOM 1084 O GLY A 72 10.814 -2.630 5.570 1.00 0.00 O ATOM 0 H GLY A 72 8.696 -3.021 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.382 -3.309 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.888 -4.933 5.099 1.00 0.00 H new ATOM 1088 N SER A 73 11.110 -3.941 3.751 1.00 0.00 N ATOM 1089 CA SER A 73 12.509 -3.587 3.586 1.00 0.00 C ATOM 1090 C SER A 73 12.673 -2.067 3.625 1.00 0.00 C ATOM 1091 O SER A 73 13.752 -1.563 3.933 1.00 0.00 O ATOM 1092 CB SER A 73 13.068 -4.148 2.276 1.00 0.00 C ATOM 1093 OG SER A 73 14.316 -4.810 2.468 1.00 0.00 O ATOM 0 H SER A 73 10.753 -4.601 3.060 1.00 0.00 H new ATOM 0 HA SER A 73 13.072 -4.027 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.350 -4.846 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.194 -3.337 1.559 1.00 0.00 H new ATOM 0 HG SER A 73 14.639 -5.155 1.609 1.00 0.00 H new ATOM 1099 N TYR A 74 11.587 -1.378 3.308 1.00 0.00 N ATOM 1100 CA TYR A 74 11.596 0.075 3.303 1.00 0.00 C ATOM 1101 C TYR A 74 11.384 0.629 4.714 1.00 0.00 C ATOM 1102 O TYR A 74 10.999 -0.105 5.622 1.00 0.00 O ATOM 1103 CB TYR A 74 10.423 0.501 2.419 1.00 0.00 C ATOM 1104 CG TYR A 74 10.727 0.463 0.920 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.522 1.437 0.352 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.207 -0.547 0.136 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.808 1.401 -1.059 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.493 -0.584 -1.274 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.280 0.392 -1.803 1.00 0.00 C ATOM 1110 OH TYR A 74 11.550 0.357 -3.135 1.00 0.00 O ATOM 0 H TYR A 74 10.694 -1.799 3.052 1.00 0.00 H new ATOM 0 HA TYR A 74 12.552 0.452 2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.573 -0.149 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.124 1.513 2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.930 2.227 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.585 -1.310 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.428 2.158 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.092 -1.369 -1.898 1.00 0.00 H new ATOM 0 HH TYR A 74 12.429 0.757 -3.301 1.00 0.00 H new ATOM 1120 N PRO A 75 11.653 1.955 4.856 1.00 0.00 N ATOM 1121 CA PRO A 75 11.496 2.616 6.140 1.00 0.00 C ATOM 1122 C PRO A 75 10.017 2.845 6.462 1.00 0.00 C ATOM 1123 O PRO A 75 9.604 3.973 6.728 1.00 0.00 O ATOM 1124 CB PRO A 75 12.284 3.910 6.016 1.00 0.00 C ATOM 1125 CG PRO A 75 12.465 4.146 4.525 1.00 0.00 C ATOM 1126 CD PRO A 75 12.111 2.856 3.803 1.00 0.00 C ATOM 0 HA PRO A 75 11.869 2.016 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.750 4.739 6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.248 3.830 6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.825 4.961 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.493 4.436 4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.334 3.020 3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.974 2.446 3.279 1.00 0.00 H new ATOM 1134 N VAL A 76 9.261 1.758 6.426 1.00 0.00 N ATOM 1135 CA VAL A 76 7.838 1.826 6.711 1.00 0.00 C ATOM 1136 C VAL A 76 7.503 0.858 7.847 1.00 0.00 C ATOM 1137 O VAL A 76 8.316 0.007 8.203 1.00 0.00 O ATOM 1138 CB VAL A 76 7.036 1.552 5.436 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.133 0.079 5.033 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.577 1.980 5.605 1.00 0.00 C ATOM 0 H VAL A 76 9.607 0.825 6.204 1.00 0.00 H new ATOM 0 HA VAL A 76 7.562 2.826 7.045 1.00 0.00 H new ATOM 0 HB VAL A 76 7.469 2.148 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.554 -0.089 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.176 -0.181 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.738 -0.544 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.029 1.775 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.127 1.423 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.534 3.047 5.823 1.00 0.00 H new ATOM 1150 N ASP A 77 6.303 1.021 8.386 1.00 0.00 N ATOM 1151 CA ASP A 77 5.850 0.173 9.475 1.00 0.00 C ATOM 1152 C ASP A 77 4.372 0.453 9.752 1.00 0.00 C ATOM 1153 O ASP A 77 3.826 1.450 9.283 1.00 0.00 O ATOM 1154 CB ASP A 77 6.634 0.458 10.758 1.00 0.00 C ATOM 1155 CG ASP A 77 6.574 -0.649 11.812 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.895 -1.662 11.533 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.208 -0.459 12.872 1.00 0.00 O ATOM 0 H ASP A 77 5.631 1.728 8.088 1.00 0.00 H new ATOM 0 HA ASP A 77 6.005 -0.865 9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.677 0.634 10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.256 1.380 11.200 1.00 0.00 H new ATOM 1162 N ASP A 78 3.765 -0.446 10.514 1.00 0.00 N ATOM 1163 CA ASP A 78 2.360 -0.309 10.859 1.00 0.00 C ATOM 1164 C ASP A 78 2.141 1.033 11.561 1.00 0.00 C ATOM 1165 O ASP A 78 2.472 1.184 12.736 1.00 0.00 O ATOM 1166 CB ASP A 78 1.916 -1.420 11.813 1.00 0.00 C ATOM 1167 CG ASP A 78 2.904 -1.740 12.936 1.00 0.00 C ATOM 1168 OD1 ASP A 78 3.768 -0.875 13.197 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.774 -2.843 13.509 1.00 0.00 O ATOM 0 H ASP A 78 4.221 -1.272 10.902 1.00 0.00 H new ATOM 0 HA ASP A 78 1.779 -0.371 9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.962 -1.137 12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.741 -2.327 11.234 1.00 0.00 H new ATOM 1174 N GLY A 79 1.584 1.973 10.811 1.00 0.00 N ATOM 1175 CA GLY A 79 1.317 3.297 11.347 1.00 0.00 C ATOM 1176 C GLY A 79 1.694 4.383 10.337 1.00 0.00 C ATOM 1177 O GLY A 79 1.241 5.521 10.447 1.00 0.00 O ATOM 0 H GLY A 79 1.310 1.844 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.261 3.384 11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.881 3.441 12.269 1.00 0.00 H new ATOM 1181 N CYS A 80 2.518 3.993 9.377 1.00 0.00 N ATOM 1182 CA CYS A 80 2.961 4.919 8.348 1.00 0.00 C ATOM 1183 C CYS A 80 1.761 5.267 7.466 1.00 0.00 C ATOM 1184 O CYS A 80 0.633 4.876 7.763 1.00 0.00 O ATOM 1185 CB CYS A 80 4.122 4.346 7.533 1.00 0.00 C ATOM 1186 SG CYS A 80 5.710 4.700 8.371 1.00 0.00 S ATOM 0 H CYS A 80 2.891 3.048 9.289 1.00 0.00 H new ATOM 0 HA CYS A 80 3.344 5.827 8.813 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.997 3.270 7.413 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.124 4.780 6.533 1.00 0.00 H new ATOM 0 HG CYS A 80 6.466 5.409 7.586 1.00 0.00 H new ATOM 1192 N ARG A 81 2.044 5.998 6.398 1.00 0.00 N ATOM 1193 CA ARG A 81 1.001 6.402 5.470 1.00 0.00 C ATOM 1194 C ARG A 81 1.452 6.161 4.028 1.00 0.00 C ATOM 1195 O ARG A 81 2.538 6.582 3.634 1.00 0.00 O ATOM 1196 CB ARG A 81 0.650 7.881 5.647 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.553 8.266 4.783 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.244 9.497 3.930 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.382 10.443 3.976 1.00 0.00 N ATOM 1200 CZ ARG A 81 -1.311 11.723 3.586 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.157 12.218 3.118 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -2.394 12.508 3.663 1.00 0.00 N ATOM 0 H ARG A 81 2.980 6.321 6.154 1.00 0.00 H new ATOM 0 HA ARG A 81 0.116 5.802 5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.429 8.083 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.508 8.497 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.824 7.431 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.414 8.468 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.660 9.985 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.051 9.197 2.900 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.276 10.099 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.667 11.620 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.103 13.192 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.273 12.131 4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.340 13.482 3.366 1.00 0.00 H new ATOM 1216 N ILE A 82 0.593 5.484 3.279 1.00 0.00 N ATOM 1217 CA ILE A 82 0.889 5.181 1.889 1.00 0.00 C ATOM 1218 C ILE A 82 -0.008 6.029 0.985 1.00 0.00 C ATOM 1219 O ILE A 82 -1.177 5.702 0.782 1.00 0.00 O ATOM 1220 CB ILE A 82 0.776 3.677 1.632 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.789 2.899 2.475 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.911 3.364 0.140 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.190 2.985 1.866 1.00 0.00 C ATOM 0 H ILE A 82 -0.308 5.137 3.609 1.00 0.00 H new ATOM 0 HA ILE A 82 1.920 5.444 1.653 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.217 3.351 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.805 3.297 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.483 1.855 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.827 2.288 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.121 3.873 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.882 3.707 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.891 2.424 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.176 2.564 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.503 4.028 1.819 1.00 0.00 H new ATOM 1235 N HIS A 83 0.572 7.101 0.466 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.161 7.997 -0.412 1.00 0.00 C ATOM 1237 C HIS A 83 -0.152 7.441 -1.837 1.00 0.00 C ATOM 1238 O HIS A 83 0.864 7.508 -2.527 1.00 0.00 O ATOM 1239 CB HIS A 83 0.398 9.419 -0.326 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.336 10.421 -1.184 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.623 10.847 -0.905 1.00 0.00 N ATOM 1242 CD2 HIS A 83 0.049 11.076 -2.317 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -1.986 11.718 -1.834 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -0.949 11.859 -2.709 1.00 0.00 N ATOM 0 H HIS A 83 1.541 7.369 0.637 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.201 8.058 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.363 9.750 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.447 9.404 -0.620 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.004 10.975 -2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.937 12.228 -1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.942 12.466 -3.529 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.296 6.906 -2.236 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.433 6.338 -3.567 1.00 0.00 C ATOM 1254 C VAL A 84 -1.797 7.449 -4.555 1.00 0.00 C ATOM 1255 O VAL A 84 -2.944 7.889 -4.604 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.452 5.198 -3.547 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.518 4.498 -4.907 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.136 4.199 -2.432 1.00 0.00 C ATOM 0 H VAL A 84 -2.137 6.854 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.489 5.905 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.432 5.629 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.250 3.691 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.812 5.216 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.539 4.087 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.876 3.399 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.144 3.777 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.163 4.708 -1.469 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.798 7.869 -5.318 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.999 8.919 -6.301 1.00 0.00 C ATOM 1270 C ILE A 85 -1.777 8.355 -7.492 1.00 0.00 C ATOM 1271 O ILE A 85 -1.217 7.641 -8.322 1.00 0.00 O ATOM 1272 CB ILE A 85 0.338 9.556 -6.686 1.00 0.00 C ATOM 1273 CG1 ILE A 85 0.964 10.280 -5.493 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.178 10.477 -7.897 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.482 10.388 -5.652 1.00 0.00 C ATOM 0 H ILE A 85 0.152 7.501 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.600 9.725 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 85 1.025 8.761 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.533 11.277 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.728 9.744 -4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.143 10.917 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.192 9.901 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.531 11.270 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.902 10.907 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.913 9.389 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.714 10.945 -6.560 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.057 8.697 -7.537 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.917 8.234 -8.613 1.00 0.00 C ATOM 1289 C ASP A 86 -3.359 8.718 -9.952 1.00 0.00 C ATOM 1290 O ASP A 86 -3.473 9.896 -10.287 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.334 8.790 -8.462 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.366 8.201 -9.427 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.586 6.974 -9.342 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.911 8.992 -10.227 1.00 0.00 O ATOM 0 H ASP A 86 -3.519 9.289 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.950 7.145 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.671 8.612 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.301 9.870 -8.604 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.766 7.784 -10.682 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.190 8.101 -11.978 1.00 0.00 C ATOM 1301 C HIS A 87 -3.164 7.697 -13.086 1.00 0.00 C ATOM 1302 O HIS A 87 -2.780 7.603 -14.251 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.813 7.453 -12.133 1.00 0.00 C ATOM 1304 CG HIS A 87 0.341 8.406 -11.933 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.397 9.652 -12.534 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.481 8.283 -11.193 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.524 10.243 -12.166 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.195 9.393 -11.335 1.00 0.00 N ATOM 0 H HIS A 87 -2.672 6.808 -10.401 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.032 9.177 -12.056 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.725 6.636 -11.417 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.740 7.014 -13.128 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.756 7.428 -10.594 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.854 11.225 -12.470 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.096 9.580 -10.896 1.00 0.00 H new