USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0.905) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.891 K(o=0.89,f=-0.67) USER MOD Single : A 22 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.86) USER MOD Single : A 24 SER OG : rot -64:sc= 0.0911 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.06 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -8.1! C(o=-8.1!,f=-17!) USER MOD Single : A 62 SER OG : rot 63:sc= 0.65 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.08! C(o=-3.6!,f=-2.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 2.303 7.988 0.408 1.00 0.00 N ATOM 49 CA GLU A 4 1.516 8.739 1.372 1.00 0.00 C ATOM 50 C GLU A 4 0.836 7.788 2.358 1.00 0.00 C ATOM 51 O GLU A 4 0.802 8.053 3.559 1.00 0.00 O ATOM 52 CB GLU A 4 0.487 9.625 0.667 1.00 0.00 C ATOM 53 CG GLU A 4 0.657 11.091 1.072 1.00 0.00 C ATOM 54 CD GLU A 4 0.057 11.351 2.455 1.00 0.00 C ATOM 55 OE1 GLU A 4 0.785 11.115 3.443 1.00 0.00 O ATOM 56 OE2 GLU A 4 -1.116 11.781 2.492 1.00 0.00 O ATOM 0 HA GLU A 4 2.187 9.391 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.597 9.527 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.519 9.289 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.716 11.350 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.174 11.734 0.336 1.00 0.00 H new ATOM 63 N GLU A 5 0.312 6.699 1.816 1.00 0.00 N ATOM 64 CA GLU A 5 -0.365 5.706 2.633 1.00 0.00 C ATOM 65 C GLU A 5 0.639 4.990 3.539 1.00 0.00 C ATOM 66 O GLU A 5 0.357 4.740 4.709 1.00 0.00 O ATOM 67 CB GLU A 5 -1.128 4.707 1.763 1.00 0.00 C ATOM 68 CG GLU A 5 -0.266 3.482 1.449 1.00 0.00 C ATOM 69 CD GLU A 5 -1.078 2.414 0.712 1.00 0.00 C ATOM 70 OE1 GLU A 5 -2.069 2.805 0.059 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.688 1.231 0.819 1.00 0.00 O ATOM 0 H GLU A 5 0.343 6.482 0.820 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.093 6.218 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.038 4.394 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.434 5.188 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.587 3.780 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.133 3.067 2.375 1.00 0.00 H new ATOM 78 N LEU A 6 1.791 4.680 2.962 1.00 0.00 N ATOM 79 CA LEU A 6 2.839 3.997 3.702 1.00 0.00 C ATOM 80 C LEU A 6 3.117 4.756 5.001 1.00 0.00 C ATOM 81 O LEU A 6 3.415 4.148 6.028 1.00 0.00 O ATOM 82 CB LEU A 6 4.077 3.806 2.824 1.00 0.00 C ATOM 83 CG LEU A 6 4.221 2.436 2.157 1.00 0.00 C ATOM 84 CD1 LEU A 6 5.327 2.455 1.100 1.00 0.00 C ATOM 85 CD2 LEU A 6 4.443 1.339 3.199 1.00 0.00 C ATOM 0 H LEU A 6 2.022 4.889 1.991 1.00 0.00 H new ATOM 0 HA LEU A 6 2.517 2.994 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.067 4.568 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.962 3.986 3.434 1.00 0.00 H new ATOM 0 HG LEU A 6 3.288 2.207 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.409 1.470 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.086 3.193 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.275 2.716 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.542 0.376 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.352 1.550 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.593 1.308 3.881 1.00 0.00 H new ATOM 97 N LYS A 7 3.010 6.074 4.913 1.00 0.00 N ATOM 98 CA LYS A 7 3.247 6.922 6.069 1.00 0.00 C ATOM 99 C LYS A 7 2.118 6.723 7.082 1.00 0.00 C ATOM 100 O LYS A 7 2.368 6.383 8.237 1.00 0.00 O ATOM 101 CB LYS A 7 3.435 8.378 5.636 1.00 0.00 C ATOM 102 CG LYS A 7 4.369 9.119 6.594 1.00 0.00 C ATOM 103 CD LYS A 7 5.334 10.026 5.827 1.00 0.00 C ATOM 104 CE LYS A 7 6.439 9.208 5.156 1.00 0.00 C ATOM 105 NZ LYS A 7 7.329 10.088 4.367 1.00 0.00 N ATOM 0 H LYS A 7 2.763 6.575 4.060 1.00 0.00 H new ATOM 0 HA LYS A 7 4.175 6.639 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.844 8.411 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.468 8.880 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.781 9.715 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.934 8.399 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.786 10.591 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.777 10.751 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.019 8.679 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.997 8.452 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.172 9.555 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.823 10.428 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.618 10.901 4.948 1.00 0.00 H new ATOM 119 N GLY A 8 0.898 6.944 6.612 1.00 0.00 N ATOM 120 CA GLY A 8 -0.270 6.793 7.463 1.00 0.00 C ATOM 121 C GLY A 8 -0.322 5.393 8.079 1.00 0.00 C ATOM 122 O GLY A 8 -0.394 5.250 9.299 1.00 0.00 O ATOM 0 H GLY A 8 0.694 7.226 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.247 7.542 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.174 6.972 6.881 1.00 0.00 H new ATOM 126 N ILE A 9 -0.285 4.396 7.208 1.00 0.00 N ATOM 127 CA ILE A 9 -0.327 3.013 7.651 1.00 0.00 C ATOM 128 C ILE A 9 0.782 2.777 8.679 1.00 0.00 C ATOM 129 O ILE A 9 0.534 2.223 9.748 1.00 0.00 O ATOM 130 CB ILE A 9 -0.266 2.064 6.452 1.00 0.00 C ATOM 131 CG1 ILE A 9 -1.653 1.870 5.835 1.00 0.00 C ATOM 132 CG2 ILE A 9 0.380 0.732 6.839 1.00 0.00 C ATOM 133 CD1 ILE A 9 -1.615 0.828 4.716 1.00 0.00 C ATOM 0 H ILE A 9 -0.226 4.518 6.197 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.274 2.801 8.148 1.00 0.00 H new ATOM 0 HB ILE A 9 0.366 2.519 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.357 1.556 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.015 2.819 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.411 0.076 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.395 0.910 7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.205 0.260 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.613 0.710 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.929 1.157 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.276 -0.126 5.119 1.00 0.00 H new ATOM 145 N PHE A 10 1.981 3.209 8.318 1.00 0.00 N ATOM 146 CA PHE A 10 3.129 3.052 9.195 1.00 0.00 C ATOM 147 C PHE A 10 2.822 3.578 10.599 1.00 0.00 C ATOM 148 O PHE A 10 2.973 2.856 11.583 1.00 0.00 O ATOM 149 CB PHE A 10 4.268 3.876 8.592 1.00 0.00 C ATOM 150 CG PHE A 10 5.336 4.296 9.605 1.00 0.00 C ATOM 151 CD1 PHE A 10 5.175 5.435 10.330 1.00 0.00 C ATOM 152 CD2 PHE A 10 6.445 3.528 9.781 1.00 0.00 C ATOM 153 CE1 PHE A 10 6.166 5.824 11.270 1.00 0.00 C ATOM 154 CE2 PHE A 10 7.436 3.918 10.721 1.00 0.00 C ATOM 155 CZ PHE A 10 7.275 5.057 11.445 1.00 0.00 C ATOM 0 H PHE A 10 2.183 3.668 7.430 1.00 0.00 H new ATOM 0 HA PHE A 10 3.391 1.997 9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.742 3.297 7.799 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.850 4.770 8.128 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.294 6.044 10.191 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.572 2.622 9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.039 6.729 11.846 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.317 3.310 10.860 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.029 5.353 12.160 1.00 0.00 H new ATOM 165 N GLU A 11 2.396 4.832 10.646 1.00 0.00 N ATOM 166 CA GLU A 11 2.067 5.463 11.913 1.00 0.00 C ATOM 167 C GLU A 11 0.915 4.719 12.593 1.00 0.00 C ATOM 168 O GLU A 11 0.872 4.622 13.818 1.00 0.00 O ATOM 169 CB GLU A 11 1.725 6.941 11.717 1.00 0.00 C ATOM 170 CG GLU A 11 2.753 7.838 12.409 1.00 0.00 C ATOM 171 CD GLU A 11 2.081 9.062 13.033 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.620 8.930 14.188 1.00 0.00 O ATOM 173 OE2 GLU A 11 2.042 10.103 12.342 1.00 0.00 O ATOM 0 H GLU A 11 2.271 5.428 9.827 1.00 0.00 H new ATOM 0 HA GLU A 11 2.942 5.409 12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.693 7.173 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.732 7.144 12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.274 7.272 13.181 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.504 8.159 11.688 1.00 0.00 H new ATOM 180 N LYS A 12 0.011 4.213 11.767 1.00 0.00 N ATOM 181 CA LYS A 12 -1.138 3.481 12.273 1.00 0.00 C ATOM 182 C LYS A 12 -0.653 2.262 13.061 1.00 0.00 C ATOM 183 O LYS A 12 -1.326 1.810 13.986 1.00 0.00 O ATOM 184 CB LYS A 12 -2.097 3.134 11.133 1.00 0.00 C ATOM 185 CG LYS A 12 -3.369 2.473 11.668 1.00 0.00 C ATOM 186 CD LYS A 12 -3.729 1.234 10.847 1.00 0.00 C ATOM 187 CE LYS A 12 -5.154 1.335 10.299 1.00 0.00 C ATOM 188 NZ LYS A 12 -6.048 0.387 11.001 1.00 0.00 N ATOM 0 H LYS A 12 0.051 4.295 10.751 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.711 4.101 12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.357 4.039 10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.603 2.464 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.226 2.193 12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.193 3.185 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.025 1.123 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.636 0.343 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.525 2.352 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.155 1.121 9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.011 0.469 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.701 -0.584 10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.061 0.609 12.017 1.00 0.00 H new ATOM 202 N TYR A 13 0.509 1.765 12.666 1.00 0.00 N ATOM 203 CA TYR A 13 1.091 0.608 13.323 1.00 0.00 C ATOM 204 C TYR A 13 2.093 1.034 14.399 1.00 0.00 C ATOM 205 O TYR A 13 2.155 0.430 15.469 1.00 0.00 O ATOM 206 CB TYR A 13 1.832 -0.169 12.233 1.00 0.00 C ATOM 207 CG TYR A 13 1.024 -1.320 11.631 1.00 0.00 C ATOM 208 CD1 TYR A 13 0.043 -1.060 10.696 1.00 0.00 C ATOM 209 CD2 TYR A 13 1.276 -2.619 12.023 1.00 0.00 C ATOM 210 CE1 TYR A 13 -0.718 -2.144 10.130 1.00 0.00 C ATOM 211 CE2 TYR A 13 0.515 -3.703 11.457 1.00 0.00 C ATOM 212 CZ TYR A 13 -0.444 -3.412 10.538 1.00 0.00 C ATOM 213 OH TYR A 13 -1.162 -4.435 10.003 1.00 0.00 O ATOM 0 H TYR A 13 1.064 2.143 11.898 1.00 0.00 H new ATOM 0 HA TYR A 13 0.317 0.013 13.808 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.112 0.520 11.436 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.757 -0.567 12.650 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.154 -0.044 10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.044 -2.823 12.754 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.489 -1.954 9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.702 -4.724 11.756 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.857 -5.284 10.386 1.00 0.00 H new ATOM 223 N ALA A 14 2.852 2.071 14.077 1.00 0.00 N ATOM 224 CA ALA A 14 3.847 2.585 15.003 1.00 0.00 C ATOM 225 C ALA A 14 3.144 3.174 16.227 1.00 0.00 C ATOM 226 O ALA A 14 3.728 3.250 17.306 1.00 0.00 O ATOM 227 CB ALA A 14 4.728 3.611 14.287 1.00 0.00 C ATOM 0 H ALA A 14 2.798 2.569 13.188 1.00 0.00 H new ATOM 0 HA ALA A 14 4.497 1.783 15.352 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.475 3.997 14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.228 3.135 13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.109 4.433 13.926 1.00 0.00 H new ATOM 233 N ALA A 15 1.898 3.575 16.018 1.00 0.00 N ATOM 234 CA ALA A 15 1.109 4.155 17.091 1.00 0.00 C ATOM 235 C ALA A 15 0.477 3.033 17.917 1.00 0.00 C ATOM 236 O ALA A 15 0.091 3.244 19.066 1.00 0.00 O ATOM 237 CB ALA A 15 0.063 5.103 16.501 1.00 0.00 C ATOM 0 H ALA A 15 1.416 3.509 15.121 1.00 0.00 H new ATOM 0 HA ALA A 15 1.741 4.741 17.758 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.529 5.538 17.306 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.563 5.898 15.948 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.592 4.549 15.828 1.00 0.00 H new ATOM 243 N LYS A 16 0.392 1.863 17.301 1.00 0.00 N ATOM 244 CA LYS A 16 -0.185 0.707 17.965 1.00 0.00 C ATOM 245 C LYS A 16 0.534 0.476 19.295 1.00 0.00 C ATOM 246 O LYS A 16 -0.063 0.616 20.361 1.00 0.00 O ATOM 247 CB LYS A 16 -0.167 -0.509 17.037 1.00 0.00 C ATOM 248 CG LYS A 16 -1.553 -1.151 16.946 1.00 0.00 C ATOM 249 CD LYS A 16 -1.476 -2.532 16.292 1.00 0.00 C ATOM 250 CE LYS A 16 -2.501 -3.488 16.906 1.00 0.00 C ATOM 251 NZ LYS A 16 -1.994 -4.039 18.182 1.00 0.00 N ATOM 0 H LYS A 16 0.713 1.691 16.348 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.235 0.886 18.197 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.164 -0.207 16.043 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.553 -1.240 17.404 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.982 -1.241 17.944 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.218 -0.508 16.369 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.654 -2.441 15.221 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.473 -2.941 16.415 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.440 -2.963 17.077 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.712 -4.300 16.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.701 -4.686 18.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.109 -4.557 18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.815 -3.261 18.849 1.00 0.00 H new ATOM 265 N GLU A 17 1.808 0.126 19.189 1.00 0.00 N ATOM 266 CA GLU A 17 2.615 -0.126 20.371 1.00 0.00 C ATOM 267 C GLU A 17 3.749 0.897 20.467 1.00 0.00 C ATOM 268 O GLU A 17 4.487 1.103 19.504 1.00 0.00 O ATOM 269 CB GLU A 17 3.164 -1.554 20.366 1.00 0.00 C ATOM 270 CG GLU A 17 2.087 -2.556 20.786 1.00 0.00 C ATOM 271 CD GLU A 17 2.615 -3.511 21.859 1.00 0.00 C ATOM 272 OE1 GLU A 17 3.547 -4.275 21.530 1.00 0.00 O ATOM 273 OE2 GLU A 17 2.074 -3.454 22.985 1.00 0.00 O ATOM 0 H GLU A 17 2.301 0.011 18.303 1.00 0.00 H new ATOM 0 HA GLU A 17 1.980 -0.019 21.250 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.530 -1.804 19.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.015 -1.623 21.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.216 -2.022 21.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.757 -3.126 19.917 1.00 0.00 H new ATOM 280 N GLY A 18 3.853 1.511 21.636 1.00 0.00 N ATOM 281 CA GLY A 18 4.884 2.507 21.870 1.00 0.00 C ATOM 282 C GLY A 18 4.670 3.737 20.985 1.00 0.00 C ATOM 283 O GLY A 18 3.714 3.791 20.212 1.00 0.00 O ATOM 0 H GLY A 18 3.239 1.338 22.432 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.877 2.804 22.919 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.864 2.075 21.668 1.00 0.00 H new ATOM 287 N ASP A 19 5.574 4.694 21.128 1.00 0.00 N ATOM 288 CA ASP A 19 5.496 5.920 20.352 1.00 0.00 C ATOM 289 C ASP A 19 5.517 5.576 18.861 1.00 0.00 C ATOM 290 O ASP A 19 6.290 4.723 18.428 1.00 0.00 O ATOM 291 CB ASP A 19 6.688 6.833 20.643 1.00 0.00 C ATOM 292 CG ASP A 19 6.394 8.332 20.543 1.00 0.00 C ATOM 293 OD1 ASP A 19 6.351 8.826 19.396 1.00 0.00 O ATOM 294 OD2 ASP A 19 6.219 8.948 21.616 1.00 0.00 O ATOM 0 H ASP A 19 6.365 4.646 21.770 1.00 0.00 H new ATOM 0 HA ASP A 19 4.574 6.434 20.624 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.056 6.616 21.646 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.492 6.589 19.949 1.00 0.00 H new ATOM 299 N PRO A 20 4.635 6.276 18.097 1.00 0.00 N ATOM 300 CA PRO A 20 4.545 6.054 16.664 1.00 0.00 C ATOM 301 C PRO A 20 5.733 6.687 15.936 1.00 0.00 C ATOM 302 O PRO A 20 5.858 6.560 14.718 1.00 0.00 O ATOM 303 CB PRO A 20 3.210 6.654 16.256 1.00 0.00 C ATOM 304 CG PRO A 20 2.815 7.596 17.382 1.00 0.00 C ATOM 305 CD PRO A 20 3.705 7.294 18.576 1.00 0.00 C ATOM 0 HA PRO A 20 4.589 4.998 16.398 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.295 7.190 15.310 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.459 5.877 16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.933 8.634 17.071 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.766 7.459 17.644 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.233 8.186 18.912 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.122 6.931 19.423 1.00 0.00 H new ATOM 313 N ASN A 21 6.574 7.354 16.711 1.00 0.00 N ATOM 314 CA ASN A 21 7.747 8.007 16.155 1.00 0.00 C ATOM 315 C ASN A 21 8.922 7.027 16.161 1.00 0.00 C ATOM 316 O ASN A 21 10.027 7.374 15.745 1.00 0.00 O ATOM 317 CB ASN A 21 8.145 9.228 16.987 1.00 0.00 C ATOM 318 CG ASN A 21 7.212 10.408 16.709 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.504 11.291 15.920 1.00 0.00 O ATOM 320 ND2 ASN A 21 6.076 10.374 17.401 1.00 0.00 N ATOM 0 H ASN A 21 6.467 7.457 17.720 1.00 0.00 H new ATOM 0 HA ASN A 21 7.506 8.325 15.141 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.113 8.976 18.047 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.172 9.510 16.757 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.387 11.117 17.287 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.894 9.605 18.046 1.00 0.00 H new ATOM 327 N GLN A 22 8.644 5.823 16.638 1.00 0.00 N ATOM 328 CA GLN A 22 9.664 4.790 16.704 1.00 0.00 C ATOM 329 C GLN A 22 9.028 3.405 16.567 1.00 0.00 C ATOM 330 O GLN A 22 8.135 3.050 17.335 1.00 0.00 O ATOM 331 CB GLN A 22 10.470 4.898 18.000 1.00 0.00 C ATOM 332 CG GLN A 22 9.604 5.435 19.141 1.00 0.00 C ATOM 333 CD GLN A 22 10.435 5.645 20.409 1.00 0.00 C ATOM 334 OE1 GLN A 22 11.636 5.857 20.366 1.00 0.00 O ATOM 335 NE2 GLN A 22 9.731 5.575 21.535 1.00 0.00 N ATOM 0 H GLN A 22 7.727 5.539 16.983 1.00 0.00 H new ATOM 0 HA GLN A 22 10.354 4.934 15.872 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.866 3.919 18.269 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.325 5.556 17.847 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.146 6.378 18.842 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.792 4.737 19.346 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.728 5.394 21.499 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.194 5.702 22.435 1.00 0.00 H new ATOM 344 N LEU A 23 9.513 2.661 15.585 1.00 0.00 N ATOM 345 CA LEU A 23 9.003 1.323 15.338 1.00 0.00 C ATOM 346 C LEU A 23 9.629 0.350 16.339 1.00 0.00 C ATOM 347 O LEU A 23 10.608 0.683 17.005 1.00 0.00 O ATOM 348 CB LEU A 23 9.223 0.927 13.876 1.00 0.00 C ATOM 349 CG LEU A 23 8.143 1.379 12.890 1.00 0.00 C ATOM 350 CD1 LEU A 23 6.994 0.371 12.835 1.00 0.00 C ATOM 351 CD2 LEU A 23 7.653 2.790 13.221 1.00 0.00 C ATOM 0 H LEU A 23 10.254 2.959 14.951 1.00 0.00 H new ATOM 0 HA LEU A 23 7.925 1.292 15.494 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.179 1.335 13.549 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.305 -0.159 13.822 1.00 0.00 H new ATOM 0 HG LEU A 23 8.585 1.418 11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.241 0.716 12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.376 -0.598 12.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.546 0.276 13.824 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.886 3.086 12.505 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.234 2.803 14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.489 3.487 13.167 1.00 0.00 H new ATOM 363 N SER A 24 9.039 -0.834 16.413 1.00 0.00 N ATOM 364 CA SER A 24 9.527 -1.857 17.322 1.00 0.00 C ATOM 365 C SER A 24 9.457 -3.230 16.649 1.00 0.00 C ATOM 366 O SER A 24 8.773 -3.397 15.641 1.00 0.00 O ATOM 367 CB SER A 24 8.727 -1.864 18.625 1.00 0.00 C ATOM 368 OG SER A 24 8.730 -0.588 19.260 1.00 0.00 O ATOM 0 H SER A 24 8.228 -1.108 15.859 1.00 0.00 H new ATOM 0 HA SER A 24 10.565 -1.631 17.566 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.700 -2.164 18.418 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.145 -2.608 19.303 1.00 0.00 H new ATOM 0 HG SER A 24 9.644 -0.359 19.530 1.00 0.00 H new ATOM 374 N LYS A 25 10.174 -4.178 17.235 1.00 0.00 N ATOM 375 CA LYS A 25 10.202 -5.530 16.706 1.00 0.00 C ATOM 376 C LYS A 25 8.770 -6.054 16.581 1.00 0.00 C ATOM 377 O LYS A 25 8.331 -6.416 15.490 1.00 0.00 O ATOM 378 CB LYS A 25 11.110 -6.420 17.557 1.00 0.00 C ATOM 379 CG LYS A 25 11.312 -7.787 16.898 1.00 0.00 C ATOM 380 CD LYS A 25 11.531 -8.876 17.951 1.00 0.00 C ATOM 381 CE LYS A 25 10.217 -9.582 18.289 1.00 0.00 C ATOM 382 NZ LYS A 25 10.482 -10.883 18.944 1.00 0.00 N ATOM 0 H LYS A 25 10.740 -4.036 18.071 1.00 0.00 H new ATOM 0 HA LYS A 25 10.634 -5.538 15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.075 -5.933 17.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.673 -6.551 18.547 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.442 -8.034 16.290 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.170 -7.748 16.226 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.255 -9.603 17.583 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.954 -8.435 18.854 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.618 -8.952 18.947 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.636 -9.737 17.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.580 -11.350 19.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.036 -11.488 18.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.017 -10.727 19.822 1.00 0.00 H new ATOM 396 N GLU A 26 8.082 -6.078 17.713 1.00 0.00 N ATOM 397 CA GLU A 26 6.708 -6.551 17.743 1.00 0.00 C ATOM 398 C GLU A 26 5.835 -5.707 16.813 1.00 0.00 C ATOM 399 O GLU A 26 4.984 -6.240 16.102 1.00 0.00 O ATOM 400 CB GLU A 26 6.157 -6.542 19.171 1.00 0.00 C ATOM 401 CG GLU A 26 5.774 -7.954 19.620 1.00 0.00 C ATOM 402 CD GLU A 26 4.401 -7.961 20.294 1.00 0.00 C ATOM 403 OE1 GLU A 26 3.407 -8.135 19.555 1.00 0.00 O ATOM 404 OE2 GLU A 26 4.375 -7.793 21.532 1.00 0.00 O ATOM 0 H GLU A 26 8.450 -5.778 18.616 1.00 0.00 H new ATOM 0 HA GLU A 26 6.691 -7.581 17.388 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.904 -6.131 19.850 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.285 -5.891 19.224 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.764 -8.623 18.760 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.525 -8.336 20.312 1.00 0.00 H new ATOM 411 N GLU A 27 6.075 -4.405 16.848 1.00 0.00 N ATOM 412 CA GLU A 27 5.321 -3.482 16.016 1.00 0.00 C ATOM 413 C GLU A 27 5.510 -3.825 14.537 1.00 0.00 C ATOM 414 O GLU A 27 4.539 -4.084 13.828 1.00 0.00 O ATOM 415 CB GLU A 27 5.725 -2.034 16.299 1.00 0.00 C ATOM 416 CG GLU A 27 4.800 -1.400 17.340 1.00 0.00 C ATOM 417 CD GLU A 27 4.697 0.112 17.134 1.00 0.00 C ATOM 418 OE1 GLU A 27 5.734 0.707 16.767 1.00 0.00 O ATOM 419 OE2 GLU A 27 3.585 0.640 17.348 1.00 0.00 O ATOM 0 H GLU A 27 6.781 -3.967 17.439 1.00 0.00 H new ATOM 0 HA GLU A 27 4.264 -3.584 16.260 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.755 -2.003 16.655 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.690 -1.456 15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.809 -1.848 17.272 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.176 -1.609 18.341 1.00 0.00 H new ATOM 426 N LEU A 28 6.766 -3.815 14.116 1.00 0.00 N ATOM 427 CA LEU A 28 7.094 -4.122 12.734 1.00 0.00 C ATOM 428 C LEU A 28 6.483 -5.473 12.357 1.00 0.00 C ATOM 429 O LEU A 28 5.829 -5.595 11.322 1.00 0.00 O ATOM 430 CB LEU A 28 8.607 -4.049 12.513 1.00 0.00 C ATOM 431 CG LEU A 28 9.063 -3.781 11.078 1.00 0.00 C ATOM 432 CD1 LEU A 28 7.952 -3.113 10.265 1.00 0.00 C ATOM 433 CD2 LEU A 28 10.358 -2.966 11.057 1.00 0.00 C ATOM 0 H LEU A 28 7.569 -3.599 14.707 1.00 0.00 H new ATOM 0 HA LEU A 28 6.661 -3.378 12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.010 -3.265 13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.048 -4.989 12.844 1.00 0.00 H new ATOM 0 HG LEU A 28 9.278 -4.739 10.604 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.303 -2.934 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.079 -3.765 10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.682 -2.164 10.729 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.660 -2.790 10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.195 -2.011 11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.143 -3.517 11.576 1.00 0.00 H new ATOM 445 N LYS A 29 6.717 -6.453 13.217 1.00 0.00 N ATOM 446 CA LYS A 29 6.197 -7.790 12.987 1.00 0.00 C ATOM 447 C LYS A 29 4.777 -7.692 12.426 1.00 0.00 C ATOM 448 O LYS A 29 4.485 -8.243 11.366 1.00 0.00 O ATOM 449 CB LYS A 29 6.298 -8.631 14.261 1.00 0.00 C ATOM 450 CG LYS A 29 5.828 -10.066 14.010 1.00 0.00 C ATOM 451 CD LYS A 29 6.628 -11.060 14.855 1.00 0.00 C ATOM 452 CE LYS A 29 5.728 -11.763 15.872 1.00 0.00 C ATOM 453 NZ LYS A 29 6.369 -11.782 17.206 1.00 0.00 N ATOM 0 H LYS A 29 7.260 -6.348 14.074 1.00 0.00 H new ATOM 0 HA LYS A 29 6.799 -8.309 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.329 -8.639 14.615 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.694 -8.179 15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.768 -10.152 14.247 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.939 -10.309 12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.097 -11.800 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.431 -10.537 15.375 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.767 -11.251 15.931 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.527 -12.783 15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.744 -12.263 17.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.275 -12.290 17.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.539 -10.806 17.523 1.00 0.00 H new ATOM 467 N LEU A 30 3.932 -6.985 13.162 1.00 0.00 N ATOM 468 CA LEU A 30 2.550 -6.806 12.751 1.00 0.00 C ATOM 469 C LEU A 30 2.513 -6.246 11.328 1.00 0.00 C ATOM 470 O LEU A 30 1.899 -6.835 10.441 1.00 0.00 O ATOM 471 CB LEU A 30 1.795 -5.950 13.770 1.00 0.00 C ATOM 472 CG LEU A 30 1.766 -6.482 15.204 1.00 0.00 C ATOM 473 CD1 LEU A 30 0.671 -5.795 16.022 1.00 0.00 C ATOM 474 CD2 LEU A 30 1.624 -8.005 15.221 1.00 0.00 C ATOM 0 H LEU A 30 4.178 -6.529 14.041 1.00 0.00 H new ATOM 0 HA LEU A 30 2.032 -7.765 12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.242 -4.956 13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.767 -5.833 13.426 1.00 0.00 H new ATOM 0 HG LEU A 30 2.719 -6.242 15.676 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.672 -6.192 17.037 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.858 -4.722 16.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.299 -5.982 15.561 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.606 -8.357 16.252 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.696 -8.290 14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.468 -8.455 14.699 1.00 0.00 H new ATOM 486 N LEU A 31 3.179 -5.113 11.156 1.00 0.00 N ATOM 487 CA LEU A 31 3.230 -4.466 9.856 1.00 0.00 C ATOM 488 C LEU A 31 3.657 -5.487 8.799 1.00 0.00 C ATOM 489 O LEU A 31 2.884 -5.815 7.900 1.00 0.00 O ATOM 490 CB LEU A 31 4.125 -3.226 9.909 1.00 0.00 C ATOM 491 CG LEU A 31 3.796 -2.118 8.907 1.00 0.00 C ATOM 492 CD1 LEU A 31 3.250 -0.879 9.620 1.00 0.00 C ATOM 493 CD2 LEU A 31 5.009 -1.789 8.035 1.00 0.00 C ATOM 0 H LEU A 31 3.687 -4.627 11.895 1.00 0.00 H new ATOM 0 HA LEU A 31 2.241 -4.106 9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.072 -2.807 10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.156 -3.540 9.748 1.00 0.00 H new ATOM 0 HG LEU A 31 3.011 -2.480 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.024 -0.106 8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.341 -1.142 10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.995 -0.505 10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.748 -0.998 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.832 -1.455 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.313 -2.679 7.484 1.00 0.00 H new ATOM 505 N LEU A 32 4.885 -5.962 8.943 1.00 0.00 N ATOM 506 CA LEU A 32 5.424 -6.939 8.012 1.00 0.00 C ATOM 507 C LEU A 32 4.417 -8.078 7.836 1.00 0.00 C ATOM 508 O LEU A 32 4.452 -8.793 6.835 1.00 0.00 O ATOM 509 CB LEU A 32 6.807 -7.407 8.467 1.00 0.00 C ATOM 510 CG LEU A 32 7.849 -6.308 8.687 1.00 0.00 C ATOM 511 CD1 LEU A 32 9.078 -6.854 9.416 1.00 0.00 C ATOM 512 CD2 LEU A 32 8.219 -5.632 7.366 1.00 0.00 C ATOM 0 H LEU A 32 5.523 -5.689 9.691 1.00 0.00 H new ATOM 0 HA LEU A 32 5.572 -6.488 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.692 -7.963 9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.195 -8.105 7.725 1.00 0.00 H new ATOM 0 HG LEU A 32 7.409 -5.544 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.802 -6.052 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.779 -7.251 10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.530 -7.649 8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.961 -4.855 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.632 -6.373 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.328 -5.186 6.924 1.00 0.00 H new ATOM 524 N GLN A 33 3.543 -8.211 8.823 1.00 0.00 N ATOM 525 CA GLN A 33 2.528 -9.250 8.789 1.00 0.00 C ATOM 526 C GLN A 33 1.504 -8.956 7.691 1.00 0.00 C ATOM 527 O GLN A 33 1.172 -9.834 6.896 1.00 0.00 O ATOM 528 CB GLN A 33 1.846 -9.395 10.151 1.00 0.00 C ATOM 529 CG GLN A 33 1.680 -10.869 10.527 1.00 0.00 C ATOM 530 CD GLN A 33 0.641 -11.038 11.637 1.00 0.00 C ATOM 531 OE1 GLN A 33 -0.466 -11.502 11.420 1.00 0.00 O ATOM 532 NE2 GLN A 33 1.057 -10.635 12.834 1.00 0.00 N ATOM 0 H GLN A 33 3.517 -7.616 9.651 1.00 0.00 H new ATOM 0 HA GLN A 33 3.014 -10.198 8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.436 -8.886 10.913 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.870 -8.910 10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.376 -11.440 9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.637 -11.274 10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.997 -10.256 12.946 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.436 -10.705 13.640 1.00 0.00 H new ATOM 541 N THR A 34 1.032 -7.718 7.683 1.00 0.00 N ATOM 542 CA THR A 34 0.052 -7.297 6.696 1.00 0.00 C ATOM 543 C THR A 34 0.730 -6.510 5.573 1.00 0.00 C ATOM 544 O THR A 34 0.573 -6.838 4.398 1.00 0.00 O ATOM 545 CB THR A 34 -1.039 -6.506 7.420 1.00 0.00 C ATOM 546 OG1 THR A 34 -2.110 -7.435 7.557 1.00 0.00 O ATOM 547 CG2 THR A 34 -1.624 -5.388 6.554 1.00 0.00 C ATOM 0 H THR A 34 1.310 -6.993 8.344 1.00 0.00 H new ATOM 0 HA THR A 34 -0.416 -8.155 6.212 1.00 0.00 H new ATOM 0 HB THR A 34 -0.630 -6.080 8.336 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.860 -7.004 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.394 -4.858 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.833 -4.691 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.063 -5.817 5.653 1.00 0.00 H new ATOM 555 N GLU A 35 1.469 -5.486 5.974 1.00 0.00 N ATOM 556 CA GLU A 35 2.172 -4.650 5.016 1.00 0.00 C ATOM 557 C GLU A 35 2.903 -5.517 3.990 1.00 0.00 C ATOM 558 O GLU A 35 2.669 -5.395 2.788 1.00 0.00 O ATOM 559 CB GLU A 35 3.142 -3.702 5.724 1.00 0.00 C ATOM 560 CG GLU A 35 3.954 -2.892 4.711 1.00 0.00 C ATOM 561 CD GLU A 35 5.374 -2.642 5.221 1.00 0.00 C ATOM 562 OE1 GLU A 35 5.976 -3.614 5.726 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.827 -1.483 5.095 1.00 0.00 O ATOM 0 H GLU A 35 1.596 -5.216 6.949 1.00 0.00 H new ATOM 0 HA GLU A 35 1.439 -4.040 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.586 -3.026 6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.816 -4.275 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.994 -3.426 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.459 -1.940 4.521 1.00 0.00 H new ATOM 570 N PHE A 36 3.774 -6.375 4.501 1.00 0.00 N ATOM 571 CA PHE A 36 4.541 -7.263 3.643 1.00 0.00 C ATOM 572 C PHE A 36 4.892 -8.562 4.373 1.00 0.00 C ATOM 573 O PHE A 36 5.942 -8.658 5.006 1.00 0.00 O ATOM 574 CB PHE A 36 5.834 -6.529 3.282 1.00 0.00 C ATOM 575 CG PHE A 36 5.624 -5.297 2.401 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.891 -5.393 1.259 1.00 0.00 C ATOM 577 CD2 PHE A 36 6.171 -4.104 2.758 1.00 0.00 C ATOM 578 CE1 PHE A 36 4.696 -4.249 0.441 1.00 0.00 C ATOM 579 CE2 PHE A 36 5.976 -2.960 1.940 1.00 0.00 C ATOM 580 CZ PHE A 36 5.243 -3.056 0.799 1.00 0.00 C ATOM 0 H PHE A 36 3.966 -6.474 5.498 1.00 0.00 H new ATOM 0 HA PHE A 36 3.959 -7.521 2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.336 -6.225 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.501 -7.221 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.457 -6.340 0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.754 -4.027 3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.114 -4.326 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.410 -2.013 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.095 -2.186 0.177 1.00 0.00 H new ATOM 590 N PRO A 37 3.969 -9.554 4.256 1.00 0.00 N ATOM 591 CA PRO A 37 4.170 -10.842 4.897 1.00 0.00 C ATOM 592 C PRO A 37 5.210 -11.673 4.142 1.00 0.00 C ATOM 593 O PRO A 37 5.556 -12.775 4.566 1.00 0.00 O ATOM 594 CB PRO A 37 2.795 -11.489 4.920 1.00 0.00 C ATOM 595 CG PRO A 37 1.968 -10.748 3.883 1.00 0.00 C ATOM 596 CD PRO A 37 2.714 -9.475 3.515 1.00 0.00 C ATOM 0 HA PRO A 37 4.569 -10.752 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.859 -12.551 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.343 -11.410 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.816 -11.370 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.981 -10.511 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.891 -9.416 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.145 -8.588 3.793 1.00 0.00 H new ATOM 604 N SER A 38 5.678 -11.114 3.036 1.00 0.00 N ATOM 605 CA SER A 38 6.671 -11.789 2.218 1.00 0.00 C ATOM 606 C SER A 38 8.055 -11.653 2.856 1.00 0.00 C ATOM 607 O SER A 38 8.984 -12.373 2.492 1.00 0.00 O ATOM 608 CB SER A 38 6.685 -11.229 0.795 1.00 0.00 C ATOM 609 OG SER A 38 5.630 -10.297 0.577 1.00 0.00 O ATOM 0 H SER A 38 5.388 -10.201 2.687 1.00 0.00 H new ATOM 0 HA SER A 38 6.407 -12.845 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.642 -10.743 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.597 -12.049 0.082 1.00 0.00 H new ATOM 0 HG SER A 38 5.675 -9.961 -0.343 1.00 0.00 H new ATOM 615 N LEU A 39 8.149 -10.725 3.797 1.00 0.00 N ATOM 616 CA LEU A 39 9.404 -10.485 4.489 1.00 0.00 C ATOM 617 C LEU A 39 9.778 -11.726 5.303 1.00 0.00 C ATOM 618 O LEU A 39 10.957 -12.049 5.443 1.00 0.00 O ATOM 619 CB LEU A 39 9.321 -9.205 5.323 1.00 0.00 C ATOM 620 CG LEU A 39 10.259 -8.071 4.905 1.00 0.00 C ATOM 621 CD1 LEU A 39 11.692 -8.349 5.363 1.00 0.00 C ATOM 622 CD2 LEU A 39 10.177 -7.817 3.399 1.00 0.00 C ATOM 0 H LEU A 39 7.376 -10.130 4.096 1.00 0.00 H new ATOM 0 HA LEU A 39 10.208 -10.319 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.296 -8.835 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.529 -9.458 6.363 1.00 0.00 H new ATOM 0 HG LEU A 39 9.933 -7.157 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.339 -7.528 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.716 -8.440 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.044 -9.277 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.854 -7.006 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.462 -8.721 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.157 -7.542 3.131 1.00 0.00 H new ATOM 634 N LEU A 40 8.752 -12.387 5.819 1.00 0.00 N ATOM 635 CA LEU A 40 8.958 -13.585 6.615 1.00 0.00 C ATOM 636 C LEU A 40 9.319 -14.750 5.692 1.00 0.00 C ATOM 637 O LEU A 40 9.576 -15.859 6.157 1.00 0.00 O ATOM 638 CB LEU A 40 7.740 -13.856 7.500 1.00 0.00 C ATOM 639 CG LEU A 40 7.317 -12.714 8.427 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.809 -12.745 8.682 1.00 0.00 C ATOM 641 CD2 LEU A 40 8.119 -12.739 9.729 1.00 0.00 C ATOM 0 H LEU A 40 7.776 -12.116 5.701 1.00 0.00 H new ATOM 0 HA LEU A 40 9.796 -13.449 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.897 -14.106 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.947 -14.735 8.110 1.00 0.00 H new ATOM 0 HG LEU A 40 7.540 -11.770 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.535 -11.923 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.278 -12.642 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.538 -13.692 9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.799 -11.917 10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.950 -13.686 10.242 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.180 -12.632 9.505 1.00 0.00 H new ATOM 653 N LYS A 41 9.325 -14.459 4.399 1.00 0.00 N ATOM 654 CA LYS A 41 9.650 -15.469 3.406 1.00 0.00 C ATOM 655 C LYS A 41 11.058 -15.212 2.865 1.00 0.00 C ATOM 656 O LYS A 41 11.332 -15.466 1.693 1.00 0.00 O ATOM 657 CB LYS A 41 8.573 -15.518 2.320 1.00 0.00 C ATOM 658 CG LYS A 41 7.346 -16.296 2.800 1.00 0.00 C ATOM 659 CD LYS A 41 6.854 -17.263 1.721 1.00 0.00 C ATOM 660 CE LYS A 41 6.257 -18.525 2.347 1.00 0.00 C ATOM 661 NZ LYS A 41 4.922 -18.807 1.773 1.00 0.00 N ATOM 0 H LYS A 41 9.110 -13.538 4.016 1.00 0.00 H new ATOM 0 HA LYS A 41 9.659 -16.460 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.281 -14.504 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.977 -15.987 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.594 -16.851 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.549 -15.600 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.105 -16.771 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.682 -17.534 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.920 -19.373 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.176 -18.399 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.531 -19.667 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.287 -18.005 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.008 -18.948 0.746 1.00 0.00 H new ATOM 675 N GLY A 42 11.913 -14.712 3.745 1.00 0.00 N ATOM 676 CA GLY A 42 13.286 -14.418 3.370 1.00 0.00 C ATOM 677 C GLY A 42 14.272 -15.097 4.323 1.00 0.00 C ATOM 678 O GLY A 42 13.869 -15.669 5.335 1.00 0.00 O ATOM 0 H GLY A 42 11.682 -14.503 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.469 -14.757 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.447 -13.340 3.382 1.00 0.00 H new ATOM 682 N MET A 43 15.545 -15.010 3.967 1.00 0.00 N ATOM 683 CA MET A 43 16.591 -15.608 4.778 1.00 0.00 C ATOM 684 C MET A 43 16.855 -14.776 6.035 1.00 0.00 C ATOM 685 O MET A 43 17.648 -15.169 6.889 1.00 0.00 O ATOM 686 CB MET A 43 17.878 -15.713 3.956 1.00 0.00 C ATOM 687 CG MET A 43 17.660 -16.564 2.703 1.00 0.00 C ATOM 688 SD MET A 43 19.152 -16.605 1.726 1.00 0.00 S ATOM 689 CE MET A 43 19.805 -18.190 2.222 1.00 0.00 C ATOM 0 H MET A 43 15.876 -14.534 3.128 1.00 0.00 H new ATOM 0 HA MET A 43 16.263 -16.601 5.085 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.213 -14.716 3.669 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.668 -16.152 4.565 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.373 -17.577 2.987 1.00 0.00 H new ATOM 0 HG3 MET A 43 16.840 -16.154 2.113 1.00 0.00 H new ATOM 0 HE1 MET A 43 20.744 -18.376 1.701 1.00 0.00 H new ATOM 0 HE2 MET A 43 19.980 -18.191 3.298 1.00 0.00 H new ATOM 0 HE3 MET A 43 19.090 -18.973 1.970 1.00 0.00 H new ATOM 699 N SER A 44 16.174 -13.642 6.108 1.00 0.00 N ATOM 700 CA SER A 44 16.324 -12.751 7.245 1.00 0.00 C ATOM 701 C SER A 44 15.193 -12.986 8.248 1.00 0.00 C ATOM 702 O SER A 44 14.087 -12.475 8.073 1.00 0.00 O ATOM 703 CB SER A 44 16.342 -11.287 6.800 1.00 0.00 C ATOM 704 OG SER A 44 17.532 -10.961 6.086 1.00 0.00 O ATOM 0 H SER A 44 15.517 -13.320 5.398 1.00 0.00 H new ATOM 0 HA SER A 44 17.278 -12.969 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.475 -11.089 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.255 -10.641 7.674 1.00 0.00 H new ATOM 0 HG SER A 44 17.505 -10.019 5.818 1.00 0.00 H new ATOM 710 N THR A 45 15.508 -13.761 9.276 1.00 0.00 N ATOM 711 CA THR A 45 14.531 -14.070 10.306 1.00 0.00 C ATOM 712 C THR A 45 14.042 -12.787 10.981 1.00 0.00 C ATOM 713 O THR A 45 14.598 -11.713 10.756 1.00 0.00 O ATOM 714 CB THR A 45 15.170 -15.063 11.280 1.00 0.00 C ATOM 715 OG1 THR A 45 16.309 -14.371 11.784 1.00 0.00 O ATOM 716 CG2 THR A 45 15.759 -16.283 10.569 1.00 0.00 C ATOM 0 H THR A 45 16.425 -14.184 9.417 1.00 0.00 H new ATOM 0 HA THR A 45 13.642 -14.535 9.880 1.00 0.00 H new ATOM 0 HB THR A 45 14.425 -15.390 12.006 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.782 -14.942 12.425 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.200 -16.955 11.305 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.970 -16.805 10.027 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.528 -15.959 9.867 1.00 0.00 H new ATOM 724 N LEU A 46 13.008 -12.941 11.795 1.00 0.00 N ATOM 725 CA LEU A 46 12.438 -11.808 12.503 1.00 0.00 C ATOM 726 C LEU A 46 13.554 -11.052 13.228 1.00 0.00 C ATOM 727 O LEU A 46 13.842 -9.901 12.903 1.00 0.00 O ATOM 728 CB LEU A 46 11.307 -12.266 13.425 1.00 0.00 C ATOM 729 CG LEU A 46 10.249 -11.214 13.763 1.00 0.00 C ATOM 730 CD1 LEU A 46 10.692 -10.351 14.947 1.00 0.00 C ATOM 731 CD2 LEU A 46 9.904 -10.369 12.535 1.00 0.00 C ATOM 0 H LEU A 46 12.550 -13.834 11.980 1.00 0.00 H new ATOM 0 HA LEU A 46 11.983 -11.110 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.809 -13.117 12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.746 -12.623 14.356 1.00 0.00 H new ATOM 0 HG LEU A 46 9.338 -11.731 14.065 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.922 -9.611 15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.847 -10.984 15.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.623 -9.842 14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.150 -9.629 12.803 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.800 -9.861 12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.516 -11.014 11.747 1.00 0.00 H new ATOM 743 N ASP A 47 14.151 -11.730 14.197 1.00 0.00 N ATOM 744 CA ASP A 47 15.229 -11.137 14.971 1.00 0.00 C ATOM 745 C ASP A 47 16.201 -10.429 14.025 1.00 0.00 C ATOM 746 O ASP A 47 16.520 -9.258 14.219 1.00 0.00 O ATOM 747 CB ASP A 47 16.009 -12.206 15.738 1.00 0.00 C ATOM 748 CG ASP A 47 15.962 -12.072 17.262 1.00 0.00 C ATOM 749 OD1 ASP A 47 15.843 -10.918 17.727 1.00 0.00 O ATOM 750 OD2 ASP A 47 16.045 -13.128 17.926 1.00 0.00 O ATOM 0 H ASP A 47 13.909 -12.684 14.464 1.00 0.00 H new ATOM 0 HA ASP A 47 14.789 -10.435 15.679 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.620 -13.186 15.462 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.050 -12.175 15.417 1.00 0.00 H new ATOM 755 N GLU A 48 16.645 -11.171 13.021 1.00 0.00 N ATOM 756 CA GLU A 48 17.574 -10.630 12.044 1.00 0.00 C ATOM 757 C GLU A 48 17.009 -9.350 11.426 1.00 0.00 C ATOM 758 O GLU A 48 17.725 -8.362 11.270 1.00 0.00 O ATOM 759 CB GLU A 48 17.897 -11.664 10.963 1.00 0.00 C ATOM 760 CG GLU A 48 19.347 -12.141 11.077 1.00 0.00 C ATOM 761 CD GLU A 48 19.897 -12.554 9.710 1.00 0.00 C ATOM 762 OE1 GLU A 48 19.647 -11.799 8.746 1.00 0.00 O ATOM 763 OE2 GLU A 48 20.555 -13.615 9.661 1.00 0.00 O ATOM 0 H GLU A 48 16.378 -12.143 12.863 1.00 0.00 H new ATOM 0 HA GLU A 48 18.505 -10.384 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.222 -12.515 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.730 -11.230 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.963 -11.346 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.403 -12.984 11.766 1.00 0.00 H new ATOM 770 N LEU A 49 15.728 -9.408 11.090 1.00 0.00 N ATOM 771 CA LEU A 49 15.058 -8.265 10.493 1.00 0.00 C ATOM 772 C LEU A 49 15.127 -7.078 11.456 1.00 0.00 C ATOM 773 O LEU A 49 15.433 -5.959 11.048 1.00 0.00 O ATOM 774 CB LEU A 49 13.634 -8.637 10.075 1.00 0.00 C ATOM 775 CG LEU A 49 13.160 -8.073 8.735 1.00 0.00 C ATOM 776 CD1 LEU A 49 13.576 -8.984 7.578 1.00 0.00 C ATOM 777 CD2 LEU A 49 11.651 -7.818 8.750 1.00 0.00 C ATOM 0 H LEU A 49 15.137 -10.229 11.220 1.00 0.00 H new ATOM 0 HA LEU A 49 15.565 -7.962 9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.560 -9.724 10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.948 -8.299 10.852 1.00 0.00 H new ATOM 0 HG LEU A 49 13.648 -7.111 8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.226 -8.560 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.662 -9.071 7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.136 -9.972 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.340 -7.417 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.126 -8.754 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.411 -7.101 9.535 1.00 0.00 H new ATOM 789 N PHE A 50 14.836 -7.363 12.717 1.00 0.00 N ATOM 790 CA PHE A 50 14.861 -6.334 13.742 1.00 0.00 C ATOM 791 C PHE A 50 16.244 -5.686 13.836 1.00 0.00 C ATOM 792 O PHE A 50 16.365 -4.463 13.788 1.00 0.00 O ATOM 793 CB PHE A 50 14.541 -7.018 15.072 1.00 0.00 C ATOM 794 CG PHE A 50 14.244 -6.047 16.216 1.00 0.00 C ATOM 795 CD1 PHE A 50 13.529 -4.915 15.979 1.00 0.00 C ATOM 796 CD2 PHE A 50 14.695 -6.316 17.471 1.00 0.00 C ATOM 797 CE1 PHE A 50 13.253 -4.013 17.041 1.00 0.00 C ATOM 798 CE2 PHE A 50 14.419 -5.415 18.533 1.00 0.00 C ATOM 799 CZ PHE A 50 13.704 -4.283 18.296 1.00 0.00 C ATOM 0 H PHE A 50 14.582 -8.292 13.052 1.00 0.00 H new ATOM 0 HA PHE A 50 14.139 -5.554 13.502 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.682 -7.674 14.934 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.382 -7.650 15.355 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.171 -4.702 14.983 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.263 -7.215 17.659 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.686 -3.114 16.852 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.777 -5.629 19.529 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.494 -3.598 19.104 1.00 0.00 H new ATOM 809 N GLU A 51 17.252 -6.536 13.967 1.00 0.00 N ATOM 810 CA GLU A 51 18.622 -6.062 14.067 1.00 0.00 C ATOM 811 C GLU A 51 19.061 -5.424 12.748 1.00 0.00 C ATOM 812 O GLU A 51 19.752 -4.406 12.746 1.00 0.00 O ATOM 813 CB GLU A 51 19.567 -7.196 14.469 1.00 0.00 C ATOM 814 CG GLU A 51 20.261 -6.887 15.797 1.00 0.00 C ATOM 815 CD GLU A 51 21.737 -7.290 15.751 1.00 0.00 C ATOM 816 OE1 GLU A 51 22.446 -6.745 14.878 1.00 0.00 O ATOM 817 OE2 GLU A 51 22.121 -8.133 16.589 1.00 0.00 O ATOM 0 H GLU A 51 17.147 -7.550 14.006 1.00 0.00 H new ATOM 0 HA GLU A 51 18.666 -5.303 14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.007 -8.127 14.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.315 -7.345 13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.178 -5.822 16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.760 -7.419 16.606 1.00 0.00 H new ATOM 824 N GLU A 52 18.643 -6.049 11.657 1.00 0.00 N ATOM 825 CA GLU A 52 18.984 -5.555 10.334 1.00 0.00 C ATOM 826 C GLU A 52 18.364 -4.175 10.106 1.00 0.00 C ATOM 827 O GLU A 52 19.069 -3.217 9.793 1.00 0.00 O ATOM 828 CB GLU A 52 18.543 -6.540 9.250 1.00 0.00 C ATOM 829 CG GLU A 52 19.159 -6.180 7.897 1.00 0.00 C ATOM 830 CD GLU A 52 18.089 -6.115 6.806 1.00 0.00 C ATOM 831 OE1 GLU A 52 17.315 -5.134 6.828 1.00 0.00 O ATOM 832 OE2 GLU A 52 18.068 -7.048 5.975 1.00 0.00 O ATOM 0 H GLU A 52 18.071 -6.894 11.662 1.00 0.00 H new ATOM 0 HA GLU A 52 20.068 -5.459 10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.839 -7.551 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.456 -6.536 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.668 -5.219 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.913 -6.920 7.628 1.00 0.00 H new ATOM 839 N LEU A 53 17.051 -4.117 10.272 1.00 0.00 N ATOM 840 CA LEU A 53 16.327 -2.870 10.088 1.00 0.00 C ATOM 841 C LEU A 53 16.964 -1.784 10.958 1.00 0.00 C ATOM 842 O LEU A 53 17.340 -0.725 10.458 1.00 0.00 O ATOM 843 CB LEU A 53 14.834 -3.073 10.352 1.00 0.00 C ATOM 844 CG LEU A 53 14.129 -4.100 9.464 1.00 0.00 C ATOM 845 CD1 LEU A 53 12.950 -4.742 10.197 1.00 0.00 C ATOM 846 CD2 LEU A 53 13.706 -3.476 8.133 1.00 0.00 C ATOM 0 H LEU A 53 16.469 -4.913 10.532 1.00 0.00 H new ATOM 0 HA LEU A 53 16.401 -2.535 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.707 -3.373 11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.331 -2.113 10.234 1.00 0.00 H new ATOM 0 HG LEU A 53 14.837 -4.896 9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.467 -5.468 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.310 -5.245 11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.232 -3.971 10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.207 -4.228 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.022 -2.648 8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.587 -3.107 7.608 1.00 0.00 H new ATOM 858 N ASP A 54 17.064 -2.083 12.244 1.00 0.00 N ATOM 859 CA ASP A 54 17.648 -1.145 13.188 1.00 0.00 C ATOM 860 C ASP A 54 19.146 -1.012 12.907 1.00 0.00 C ATOM 861 O ASP A 54 19.973 -1.416 13.724 1.00 0.00 O ATOM 862 CB ASP A 54 17.478 -1.635 14.628 1.00 0.00 C ATOM 863 CG ASP A 54 17.580 -0.546 15.697 1.00 0.00 C ATOM 864 OD1 ASP A 54 17.184 0.597 15.383 1.00 0.00 O ATOM 865 OD2 ASP A 54 18.052 -0.881 16.805 1.00 0.00 O ATOM 0 H ASP A 54 16.750 -2.962 12.655 1.00 0.00 H new ATOM 0 HA ASP A 54 17.140 -0.188 13.071 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.507 -2.122 14.718 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.235 -2.393 14.830 1.00 0.00 H new ATOM 870 N LYS A 55 19.450 -0.445 11.749 1.00 0.00 N ATOM 871 CA LYS A 55 20.834 -0.253 11.350 1.00 0.00 C ATOM 872 C LYS A 55 21.345 1.073 11.916 1.00 0.00 C ATOM 873 O LYS A 55 22.514 1.415 11.747 1.00 0.00 O ATOM 874 CB LYS A 55 20.975 -0.369 9.831 1.00 0.00 C ATOM 875 CG LYS A 55 22.447 -0.355 9.414 1.00 0.00 C ATOM 876 CD LYS A 55 22.718 0.753 8.394 1.00 0.00 C ATOM 877 CE LYS A 55 24.112 0.606 7.782 1.00 0.00 C ATOM 878 NZ LYS A 55 24.783 1.922 7.698 1.00 0.00 N ATOM 0 H LYS A 55 18.761 -0.112 11.074 1.00 0.00 H new ATOM 0 HA LYS A 55 21.463 -1.040 11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 55 20.505 -1.291 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.449 0.455 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.076 -0.208 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.717 -1.321 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.966 0.719 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.630 1.726 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 55 24.711 -0.076 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 55 24.034 0.167 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.728 1.804 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 24.219 2.562 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.874 2.327 8.652 1.00 0.00 H new ATOM 892 N ASN A 56 20.443 1.784 12.577 1.00 0.00 N ATOM 893 CA ASN A 56 20.787 3.066 13.169 1.00 0.00 C ATOM 894 C ASN A 56 21.296 2.844 14.595 1.00 0.00 C ATOM 895 O ASN A 56 21.535 3.802 15.328 1.00 0.00 O ATOM 896 CB ASN A 56 19.567 3.985 13.241 1.00 0.00 C ATOM 897 CG ASN A 56 18.545 3.462 14.252 1.00 0.00 C ATOM 898 OD1 ASN A 56 18.705 2.410 14.848 1.00 0.00 O ATOM 899 ND2 ASN A 56 17.487 4.253 14.411 1.00 0.00 N ATOM 0 H ASN A 56 19.474 1.497 12.716 1.00 0.00 H new ATOM 0 HA ASN A 56 21.552 3.530 12.546 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.881 4.990 13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.105 4.059 12.257 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.748 3.991 15.064 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.415 5.121 13.880 1.00 0.00 H new ATOM 906 N GLY A 57 21.447 1.575 14.944 1.00 0.00 N ATOM 907 CA GLY A 57 21.923 1.215 16.269 1.00 0.00 C ATOM 908 C GLY A 57 21.363 2.164 17.329 1.00 0.00 C ATOM 909 O GLY A 57 22.089 2.603 18.220 1.00 0.00 O ATOM 0 H GLY A 57 21.248 0.783 14.332 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.628 0.191 16.500 1.00 0.00 H new ATOM 0 HA3 GLY A 57 23.012 1.245 16.288 1.00 0.00 H new ATOM 913 N ASP A 58 20.077 2.454 17.199 1.00 0.00 N ATOM 914 CA ASP A 58 19.412 3.344 18.135 1.00 0.00 C ATOM 915 C ASP A 58 18.626 2.513 19.151 1.00 0.00 C ATOM 916 O ASP A 58 18.639 2.811 20.345 1.00 0.00 O ATOM 917 CB ASP A 58 18.425 4.264 17.414 1.00 0.00 C ATOM 918 CG ASP A 58 17.314 4.839 18.295 1.00 0.00 C ATOM 919 OD1 ASP A 58 17.650 5.281 19.415 1.00 0.00 O ATOM 920 OD2 ASP A 58 16.155 4.824 17.828 1.00 0.00 O ATOM 0 H ASP A 58 19.478 2.088 16.459 1.00 0.00 H new ATOM 0 HA ASP A 58 20.175 3.947 18.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.980 5.090 16.970 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.968 3.710 16.594 1.00 0.00 H new ATOM 925 N GLY A 59 17.961 1.487 18.641 1.00 0.00 N ATOM 926 CA GLY A 59 17.171 0.610 19.489 1.00 0.00 C ATOM 927 C GLY A 59 15.723 0.535 19.003 1.00 0.00 C ATOM 928 O GLY A 59 14.932 -0.256 19.514 1.00 0.00 O ATOM 0 H GLY A 59 17.953 1.243 17.651 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.609 -0.388 19.494 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.195 0.973 20.516 1.00 0.00 H new ATOM 932 N GLU A 60 15.418 1.370 18.020 1.00 0.00 N ATOM 933 CA GLU A 60 14.079 1.408 17.458 1.00 0.00 C ATOM 934 C GLU A 60 14.141 1.697 15.957 1.00 0.00 C ATOM 935 O GLU A 60 15.074 2.343 15.483 1.00 0.00 O ATOM 936 CB GLU A 60 13.211 2.442 18.180 1.00 0.00 C ATOM 937 CG GLU A 60 13.058 2.091 19.661 1.00 0.00 C ATOM 938 CD GLU A 60 12.114 0.901 19.848 1.00 0.00 C ATOM 939 OE1 GLU A 60 12.486 -0.197 19.380 1.00 0.00 O ATOM 940 OE2 GLU A 60 11.043 1.117 20.454 1.00 0.00 O ATOM 0 H GLU A 60 16.076 2.026 17.598 1.00 0.00 H new ATOM 0 HA GLU A 60 13.618 0.431 17.601 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.659 3.431 18.081 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.229 2.489 17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.034 1.856 20.085 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.674 2.954 20.205 1.00 0.00 H new ATOM 947 N VAL A 61 13.135 1.203 15.250 1.00 0.00 N ATOM 948 CA VAL A 61 13.063 1.400 13.812 1.00 0.00 C ATOM 949 C VAL A 61 12.242 2.656 13.514 1.00 0.00 C ATOM 950 O VAL A 61 11.578 3.192 14.399 1.00 0.00 O ATOM 951 CB VAL A 61 12.502 0.145 13.140 1.00 0.00 C ATOM 952 CG1 VAL A 61 12.213 0.399 11.659 1.00 0.00 C ATOM 953 CG2 VAL A 61 13.450 -1.043 13.317 1.00 0.00 C ATOM 0 H VAL A 61 12.363 0.667 15.646 1.00 0.00 H new ATOM 0 HA VAL A 61 14.059 1.557 13.397 1.00 0.00 H new ATOM 0 HB VAL A 61 11.560 -0.103 13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.815 -0.509 11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.483 1.203 11.563 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.135 0.684 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.027 -1.922 12.830 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.415 -0.808 12.868 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.584 -1.246 14.379 1.00 0.00 H new ATOM 963 N SER A 62 12.313 3.087 12.263 1.00 0.00 N ATOM 964 CA SER A 62 11.585 4.270 11.837 1.00 0.00 C ATOM 965 C SER A 62 11.480 4.299 10.311 1.00 0.00 C ATOM 966 O SER A 62 12.125 3.506 9.626 1.00 0.00 O ATOM 967 CB SER A 62 12.258 5.546 12.347 1.00 0.00 C ATOM 968 OG SER A 62 13.285 5.265 13.294 1.00 0.00 O ATOM 0 H SER A 62 12.863 2.638 11.531 1.00 0.00 H new ATOM 0 HA SER A 62 10.583 4.226 12.263 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.681 6.094 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.510 6.193 12.805 1.00 0.00 H new ATOM 0 HG SER A 62 13.992 4.741 12.864 1.00 0.00 H new ATOM 974 N PHE A 63 10.662 5.220 9.823 1.00 0.00 N ATOM 975 CA PHE A 63 10.465 5.362 8.390 1.00 0.00 C ATOM 976 C PHE A 63 11.805 5.433 7.656 1.00 0.00 C ATOM 977 O PHE A 63 11.889 5.101 6.475 1.00 0.00 O ATOM 978 CB PHE A 63 9.707 6.672 8.171 1.00 0.00 C ATOM 979 CG PHE A 63 9.271 6.905 6.723 1.00 0.00 C ATOM 980 CD1 PHE A 63 8.074 6.427 6.288 1.00 0.00 C ATOM 981 CD2 PHE A 63 10.081 7.589 5.871 1.00 0.00 C ATOM 982 CE1 PHE A 63 7.670 6.643 4.944 1.00 0.00 C ATOM 983 CE2 PHE A 63 9.676 7.805 4.527 1.00 0.00 C ATOM 984 CZ PHE A 63 8.480 7.327 4.091 1.00 0.00 C ATOM 0 H PHE A 63 10.128 5.875 10.394 1.00 0.00 H new ATOM 0 HA PHE A 63 9.915 4.504 8.003 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.825 6.680 8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.338 7.502 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.431 5.883 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.032 7.968 6.216 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.719 6.264 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 63 10.318 8.349 3.851 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.173 7.490 3.068 1.00 0.00 H new ATOM 994 N GLU A 64 12.821 5.868 8.387 1.00 0.00 N ATOM 995 CA GLU A 64 14.154 5.987 7.821 1.00 0.00 C ATOM 996 C GLU A 64 14.745 4.600 7.558 1.00 0.00 C ATOM 997 O GLU A 64 15.099 4.277 6.425 1.00 0.00 O ATOM 998 CB GLU A 64 15.067 6.807 8.734 1.00 0.00 C ATOM 999 CG GLU A 64 14.256 7.791 9.580 1.00 0.00 C ATOM 1000 CD GLU A 64 13.127 8.418 8.759 1.00 0.00 C ATOM 1001 OE1 GLU A 64 13.341 8.592 7.540 1.00 0.00 O ATOM 1002 OE2 GLU A 64 12.076 8.709 9.369 1.00 0.00 O ATOM 0 H GLU A 64 12.748 6.142 9.367 1.00 0.00 H new ATOM 0 HA GLU A 64 14.077 6.515 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.630 6.139 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.794 7.352 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.839 7.275 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.911 8.574 9.962 1.00 0.00 H new ATOM 1009 N GLU A 65 14.832 3.817 8.623 1.00 0.00 N ATOM 1010 CA GLU A 65 15.374 2.473 8.521 1.00 0.00 C ATOM 1011 C GLU A 65 14.454 1.593 7.672 1.00 0.00 C ATOM 1012 O GLU A 65 14.914 0.661 7.015 1.00 0.00 O ATOM 1013 CB GLU A 65 15.590 1.862 9.908 1.00 0.00 C ATOM 1014 CG GLU A 65 16.603 2.677 10.714 1.00 0.00 C ATOM 1015 CD GLU A 65 16.218 2.722 12.194 1.00 0.00 C ATOM 1016 OE1 GLU A 65 15.301 3.507 12.518 1.00 0.00 O ATOM 1017 OE2 GLU A 65 16.850 1.970 12.967 1.00 0.00 O ATOM 0 H GLU A 65 14.536 4.088 9.561 1.00 0.00 H new ATOM 0 HA GLU A 65 16.345 2.530 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.641 1.822 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.942 0.835 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.595 2.239 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.657 3.691 10.318 1.00 0.00 H new ATOM 1024 N PHE A 66 13.171 1.920 7.714 1.00 0.00 N ATOM 1025 CA PHE A 66 12.183 1.171 6.956 1.00 0.00 C ATOM 1026 C PHE A 66 12.494 1.211 5.459 1.00 0.00 C ATOM 1027 O PHE A 66 12.313 0.218 4.757 1.00 0.00 O ATOM 1028 CB PHE A 66 10.829 1.841 7.202 1.00 0.00 C ATOM 1029 CG PHE A 66 9.712 1.340 6.285 1.00 0.00 C ATOM 1030 CD1 PHE A 66 9.330 0.036 6.328 1.00 0.00 C ATOM 1031 CD2 PHE A 66 9.100 2.200 5.427 1.00 0.00 C ATOM 1032 CE1 PHE A 66 8.292 -0.429 5.477 1.00 0.00 C ATOM 1033 CE2 PHE A 66 8.063 1.735 4.575 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.681 0.431 4.618 1.00 0.00 C ATOM 0 H PHE A 66 12.793 2.693 8.261 1.00 0.00 H new ATOM 0 HA PHE A 66 12.184 0.128 7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.536 1.675 8.239 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.938 2.917 7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.816 -0.647 7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.403 3.236 5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.988 -1.465 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.578 2.417 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.892 0.078 3.970 1.00 0.00 H new ATOM 1044 N GLN A 67 12.957 2.370 5.014 1.00 0.00 N ATOM 1045 CA GLN A 67 13.295 2.553 3.613 1.00 0.00 C ATOM 1046 C GLN A 67 14.302 1.491 3.167 1.00 0.00 C ATOM 1047 O GLN A 67 14.465 1.248 1.972 1.00 0.00 O ATOM 1048 CB GLN A 67 13.835 3.962 3.358 1.00 0.00 C ATOM 1049 CG GLN A 67 12.967 5.015 4.050 1.00 0.00 C ATOM 1050 CD GLN A 67 12.710 6.207 3.126 1.00 0.00 C ATOM 1051 OE1 GLN A 67 11.421 6.471 2.928 1.00 0.00 O flip ATOM 1052 NE2 GLN A 67 13.622 6.845 2.625 1.00 0.00 N flip ATOM 0 H GLN A 67 13.106 3.192 5.599 1.00 0.00 H new ATOM 0 HA GLN A 67 12.387 2.436 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.860 4.034 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.863 4.156 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.018 4.570 4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.459 5.356 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.590 6.589 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.416 7.634 2.013 1.00 0.00 H new ATOM 1061 N VAL A 68 14.951 0.887 4.151 1.00 0.00 N ATOM 1062 CA VAL A 68 15.938 -0.143 3.875 1.00 0.00 C ATOM 1063 C VAL A 68 15.221 -1.441 3.496 1.00 0.00 C ATOM 1064 O VAL A 68 15.711 -2.205 2.665 1.00 0.00 O ATOM 1065 CB VAL A 68 16.874 -0.306 5.074 1.00 0.00 C ATOM 1066 CG1 VAL A 68 17.962 -1.342 4.784 1.00 0.00 C ATOM 1067 CG2 VAL A 68 17.489 1.036 5.475 1.00 0.00 C ATOM 0 H VAL A 68 14.813 1.091 5.141 1.00 0.00 H new ATOM 0 HA VAL A 68 16.563 0.143 3.029 1.00 0.00 H new ATOM 0 HB VAL A 68 16.282 -0.668 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.613 -1.438 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.499 -2.305 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.549 -1.022 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.150 0.892 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.060 1.439 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.696 1.734 5.743 1.00 0.00 H new ATOM 1077 N LEU A 69 14.073 -1.651 4.123 1.00 0.00 N ATOM 1078 CA LEU A 69 13.284 -2.843 3.862 1.00 0.00 C ATOM 1079 C LEU A 69 12.510 -2.660 2.556 1.00 0.00 C ATOM 1080 O LEU A 69 12.262 -3.627 1.836 1.00 0.00 O ATOM 1081 CB LEU A 69 12.395 -3.171 5.064 1.00 0.00 C ATOM 1082 CG LEU A 69 12.027 -4.645 5.242 1.00 0.00 C ATOM 1083 CD1 LEU A 69 13.248 -5.544 5.041 1.00 0.00 C ATOM 1084 CD2 LEU A 69 11.357 -4.882 6.598 1.00 0.00 C ATOM 0 H LEU A 69 13.670 -1.015 4.812 1.00 0.00 H new ATOM 0 HA LEU A 69 13.933 -3.709 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.900 -2.831 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.474 -2.595 4.978 1.00 0.00 H new ATOM 0 HG LEU A 69 11.302 -4.912 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.958 -6.586 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.643 -5.402 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.015 -5.285 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.105 -5.938 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.040 -4.593 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.448 -4.284 6.664 1.00 0.00 H new ATOM 1096 N VAL A 70 12.148 -1.414 2.288 1.00 0.00 N ATOM 1097 CA VAL A 70 11.407 -1.093 1.081 1.00 0.00 C ATOM 1098 C VAL A 70 12.170 -1.618 -0.137 1.00 0.00 C ATOM 1099 O VAL A 70 11.572 -1.904 -1.173 1.00 0.00 O ATOM 1100 CB VAL A 70 11.140 0.413 1.015 1.00 0.00 C ATOM 1101 CG1 VAL A 70 10.875 0.861 -0.424 1.00 0.00 C ATOM 1102 CG2 VAL A 70 9.981 0.805 1.934 1.00 0.00 C ATOM 0 H VAL A 70 12.354 -0.615 2.887 1.00 0.00 H new ATOM 0 HA VAL A 70 10.433 -1.583 1.090 1.00 0.00 H new ATOM 0 HB VAL A 70 12.035 0.927 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.688 1.935 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.744 0.633 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.004 0.335 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.812 1.880 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.078 0.276 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.226 0.538 2.962 1.00 0.00 H new ATOM 1112 N LYS A 71 13.480 -1.729 0.029 1.00 0.00 N ATOM 1113 CA LYS A 71 14.332 -2.215 -1.043 1.00 0.00 C ATOM 1114 C LYS A 71 14.086 -3.712 -1.245 1.00 0.00 C ATOM 1115 O LYS A 71 13.951 -4.176 -2.376 1.00 0.00 O ATOM 1116 CB LYS A 71 15.795 -1.863 -0.767 1.00 0.00 C ATOM 1117 CG LYS A 71 16.462 -1.277 -2.013 1.00 0.00 C ATOM 1118 CD LYS A 71 17.942 -1.663 -2.075 1.00 0.00 C ATOM 1119 CE LYS A 71 18.759 -0.867 -1.056 1.00 0.00 C ATOM 1120 NZ LYS A 71 19.213 0.414 -1.643 1.00 0.00 N ATOM 0 H LYS A 71 13.972 -1.491 0.890 1.00 0.00 H new ATOM 0 HA LYS A 71 14.082 -1.721 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.852 -1.146 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.333 -2.755 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.951 -1.636 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.366 -0.191 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.052 -2.730 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.327 -1.480 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.156 -0.674 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.621 -1.452 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.766 0.942 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.806 0.223 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.387 0.978 -1.928 1.00 0.00 H new ATOM 1134 N LYS A 72 14.037 -4.426 -0.130 1.00 0.00 N ATOM 1135 CA LYS A 72 13.810 -5.861 -0.170 1.00 0.00 C ATOM 1136 C LYS A 72 12.370 -6.133 -0.608 1.00 0.00 C ATOM 1137 O LYS A 72 12.056 -7.226 -1.078 1.00 0.00 O ATOM 1138 CB LYS A 72 14.176 -6.499 1.172 1.00 0.00 C ATOM 1139 CG LYS A 72 15.616 -6.160 1.565 1.00 0.00 C ATOM 1140 CD LYS A 72 16.613 -6.782 0.585 1.00 0.00 C ATOM 1141 CE LYS A 72 17.065 -5.760 -0.460 1.00 0.00 C ATOM 1142 NZ LYS A 72 17.201 -6.401 -1.787 1.00 0.00 N ATOM 0 H LYS A 72 14.151 -4.038 0.806 1.00 0.00 H new ATOM 0 HA LYS A 72 14.462 -6.329 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.492 -6.148 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.057 -7.581 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.746 -5.078 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.817 -6.523 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.479 -7.157 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.155 -7.637 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.344 -4.945 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.018 -5.323 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.508 -5.693 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.906 -7.164 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.284 -6.797 -2.077 1.00 0.00 H new ATOM 1156 N ILE A 73 11.532 -5.121 -0.438 1.00 0.00 N ATOM 1157 CA ILE A 73 10.132 -5.238 -0.809 1.00 0.00 C ATOM 1158 C ILE A 73 9.965 -4.848 -2.279 1.00 0.00 C ATOM 1159 O ILE A 73 8.895 -5.035 -2.857 1.00 0.00 O ATOM 1160 CB ILE A 73 9.255 -4.427 0.146 1.00 0.00 C ATOM 1161 CG1 ILE A 73 9.323 -4.991 1.566 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.816 -4.342 -0.369 1.00 0.00 C ATOM 1163 CD1 ILE A 73 9.359 -3.866 2.602 1.00 0.00 C ATOM 0 H ILE A 73 11.796 -4.216 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 73 9.797 -6.271 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 73 9.644 -3.409 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.460 -5.631 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.210 -5.615 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.214 -3.760 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.807 -3.859 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.401 -5.346 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.407 -4.295 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.237 -3.242 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.459 -3.258 2.511 1.00 0.00 H new ATOM 1175 N SER A 74 11.038 -4.313 -2.842 1.00 0.00 N ATOM 1176 CA SER A 74 11.024 -3.895 -4.234 1.00 0.00 C ATOM 1177 C SER A 74 11.465 -5.052 -5.132 1.00 0.00 C ATOM 1178 O SER A 74 10.830 -5.331 -6.148 1.00 0.00 O ATOM 1179 CB SER A 74 11.926 -2.678 -4.453 1.00 0.00 C ATOM 1180 OG SER A 74 11.941 -2.264 -5.816 1.00 0.00 O ATOM 0 H SER A 74 11.923 -4.159 -2.360 1.00 0.00 H new ATOM 0 HA SER A 74 10.005 -3.609 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.582 -1.854 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.941 -2.917 -4.135 1.00 0.00 H new ATOM 0 HG SER A 74 12.526 -1.484 -5.915 1.00 0.00 H new ATOM 1186 N GLN A 75 12.551 -5.694 -4.726 1.00 0.00 N ATOM 1187 CA GLN A 75 13.084 -6.814 -5.481 1.00 0.00 C ATOM 1188 C GLN A 75 12.149 -8.020 -5.374 1.00 0.00 C ATOM 1189 O GLN A 75 11.514 -8.407 -6.354 1.00 0.00 O ATOM 1190 CB GLN A 75 14.496 -7.171 -5.010 1.00 0.00 C ATOM 1191 CG GLN A 75 15.429 -7.404 -6.200 1.00 0.00 C ATOM 1192 CD GLN A 75 16.864 -6.999 -5.858 1.00 0.00 C ATOM 1193 OE1 GLN A 75 17.797 -7.780 -5.955 1.00 0.00 O ATOM 1194 NE2 GLN A 75 16.989 -5.738 -5.455 1.00 0.00 N ATOM 0 H GLN A 75 13.076 -5.459 -3.884 1.00 0.00 H new ATOM 0 HA GLN A 75 13.149 -6.522 -6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.889 -6.368 -4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 75 14.461 -8.067 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.403 -8.455 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.080 -6.830 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.167 -5.137 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.907 -5.371 -5.205 1.00 0.00 H new