USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.901 K(o=0.9,f=-0.095) USER MOD Single : A 22 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.31) USER MOD Single : A 24 SER OG : rot 180:sc= 0 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 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= -1.06 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 62 SER OG : rot 114:sc= 0.667 USER MOD Single : A 67 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.07) 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= -0.199 X(o=-0.2,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 7.615 0.366 4.230 1.00 0.00 N ATOM 49 CA GLU A 4 7.422 0.744 5.620 1.00 0.00 C ATOM 50 C GLU A 4 6.007 0.383 6.076 1.00 0.00 C ATOM 51 O GLU A 4 5.799 0.014 7.231 1.00 0.00 O ATOM 52 CB GLU A 4 7.702 2.233 5.827 1.00 0.00 C ATOM 53 CG GLU A 4 8.810 2.445 6.860 1.00 0.00 C ATOM 54 CD GLU A 4 8.228 2.878 8.208 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.090 4.106 8.397 1.00 0.00 O ATOM 56 OE2 GLU A 4 7.935 1.972 9.017 1.00 0.00 O ATOM 0 HA GLU A 4 8.133 0.187 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.992 2.687 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.792 2.735 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.377 1.523 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.507 3.202 6.501 1.00 0.00 H new ATOM 63 N GLU A 5 5.071 0.501 5.146 1.00 0.00 N ATOM 64 CA GLU A 5 3.682 0.192 5.439 1.00 0.00 C ATOM 65 C GLU A 5 3.518 -1.304 5.714 1.00 0.00 C ATOM 66 O GLU A 5 2.743 -1.697 6.585 1.00 0.00 O ATOM 67 CB GLU A 5 2.768 0.643 4.298 1.00 0.00 C ATOM 68 CG GLU A 5 1.937 1.860 4.709 1.00 0.00 C ATOM 69 CD GLU A 5 0.487 1.717 4.244 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.290 1.074 3.190 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.392 2.253 4.953 1.00 0.00 O ATOM 0 H GLU A 5 5.247 0.806 4.189 1.00 0.00 H new ATOM 0 HA GLU A 5 3.389 0.740 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.368 0.887 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.106 -0.175 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.965 1.975 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.372 2.763 4.281 1.00 0.00 H new ATOM 78 N LEU A 6 4.260 -2.098 4.956 1.00 0.00 N ATOM 79 CA LEU A 6 4.207 -3.542 5.108 1.00 0.00 C ATOM 80 C LEU A 6 4.543 -3.912 6.554 1.00 0.00 C ATOM 81 O LEU A 6 3.929 -4.810 7.128 1.00 0.00 O ATOM 82 CB LEU A 6 5.106 -4.223 4.075 1.00 0.00 C ATOM 83 CG LEU A 6 4.474 -4.490 2.707 1.00 0.00 C ATOM 84 CD1 LEU A 6 5.473 -5.163 1.763 1.00 0.00 C ATOM 85 CD2 LEU A 6 3.184 -5.300 2.849 1.00 0.00 C ATOM 0 H LEU A 6 4.901 -1.768 4.235 1.00 0.00 H new ATOM 0 HA LEU A 6 3.199 -3.908 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.992 -3.604 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.445 -5.173 4.488 1.00 0.00 H new ATOM 0 HG LEU A 6 4.206 -3.532 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.998 -5.342 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.339 -4.515 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.794 -6.113 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.755 -5.476 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.405 -6.256 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.472 -4.746 3.461 1.00 0.00 H new ATOM 97 N LYS A 7 5.517 -3.200 7.102 1.00 0.00 N ATOM 98 CA LYS A 7 5.941 -3.441 8.471 1.00 0.00 C ATOM 99 C LYS A 7 4.814 -3.049 9.427 1.00 0.00 C ATOM 100 O LYS A 7 4.318 -3.883 10.183 1.00 0.00 O ATOM 101 CB LYS A 7 7.265 -2.728 8.755 1.00 0.00 C ATOM 102 CG LYS A 7 8.056 -3.454 9.845 1.00 0.00 C ATOM 103 CD LYS A 7 8.903 -4.580 9.251 1.00 0.00 C ATOM 104 CE LYS A 7 9.691 -5.308 10.342 1.00 0.00 C ATOM 105 NZ LYS A 7 11.116 -5.426 9.961 1.00 0.00 N ATOM 0 H LYS A 7 6.025 -2.456 6.623 1.00 0.00 H new ATOM 0 HA LYS A 7 6.137 -4.502 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.858 -2.678 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.070 -1.701 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.700 -2.745 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.369 -3.863 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.259 -5.288 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.592 -4.171 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.604 -4.767 11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.268 -6.300 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.636 -5.922 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.195 -5.962 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.520 -4.477 9.829 1.00 0.00 H new ATOM 119 N GLY A 8 4.441 -1.779 9.363 1.00 0.00 N ATOM 120 CA GLY A 8 3.381 -1.266 10.214 1.00 0.00 C ATOM 121 C GLY A 8 2.136 -2.151 10.133 1.00 0.00 C ATOM 122 O GLY A 8 1.664 -2.659 11.149 1.00 0.00 O ATOM 0 H GLY A 8 4.854 -1.090 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.730 -1.217 11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.129 -0.249 9.914 1.00 0.00 H new ATOM 126 N ILE A 9 1.640 -2.309 8.914 1.00 0.00 N ATOM 127 CA ILE A 9 0.459 -3.124 8.687 1.00 0.00 C ATOM 128 C ILE A 9 0.680 -4.514 9.287 1.00 0.00 C ATOM 129 O ILE A 9 -0.151 -5.004 10.050 1.00 0.00 O ATOM 130 CB ILE A 9 0.101 -3.146 7.200 1.00 0.00 C ATOM 131 CG1 ILE A 9 -0.703 -1.904 6.811 1.00 0.00 C ATOM 132 CG2 ILE A 9 -0.628 -4.440 6.830 1.00 0.00 C ATOM 133 CD1 ILE A 9 -1.155 -1.978 5.351 1.00 0.00 C ATOM 0 H ILE A 9 2.035 -1.886 8.074 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.405 -2.692 9.193 1.00 0.00 H new ATOM 0 HB ILE A 9 1.027 -3.123 6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.573 -1.812 7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.096 -1.011 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.871 -4.430 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.014 -5.294 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.547 -4.519 7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.724 -1.083 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.281 -2.046 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.782 -2.858 5.208 1.00 0.00 H new ATOM 145 N PHE A 10 1.805 -5.110 8.920 1.00 0.00 N ATOM 146 CA PHE A 10 2.147 -6.433 9.412 1.00 0.00 C ATOM 147 C PHE A 10 2.044 -6.494 10.937 1.00 0.00 C ATOM 148 O PHE A 10 1.329 -7.335 11.482 1.00 0.00 O ATOM 149 CB PHE A 10 3.595 -6.705 8.999 1.00 0.00 C ATOM 150 CG PHE A 10 4.284 -7.791 9.826 1.00 0.00 C ATOM 151 CD1 PHE A 10 4.893 -7.470 10.999 1.00 0.00 C ATOM 152 CD2 PHE A 10 4.289 -9.079 9.388 1.00 0.00 C ATOM 153 CE1 PHE A 10 5.533 -8.479 11.767 1.00 0.00 C ATOM 154 CE2 PHE A 10 4.930 -10.088 10.155 1.00 0.00 C ATOM 155 CZ PHE A 10 5.538 -9.766 11.329 1.00 0.00 C ATOM 0 H PHE A 10 2.492 -4.700 8.287 1.00 0.00 H new ATOM 0 HA PHE A 10 1.461 -7.172 8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.614 -6.996 7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.166 -5.781 9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.890 -6.447 11.347 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.805 -9.334 8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.016 -8.224 12.699 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.935 -11.110 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.025 -10.533 11.913 1.00 0.00 H new ATOM 165 N GLU A 11 2.768 -5.593 11.584 1.00 0.00 N ATOM 166 CA GLU A 11 2.767 -5.534 13.036 1.00 0.00 C ATOM 167 C GLU A 11 1.363 -5.215 13.553 1.00 0.00 C ATOM 168 O GLU A 11 0.907 -5.810 14.528 1.00 0.00 O ATOM 169 CB GLU A 11 3.784 -4.509 13.543 1.00 0.00 C ATOM 170 CG GLU A 11 4.745 -5.143 14.552 1.00 0.00 C ATOM 171 CD GLU A 11 4.983 -4.212 15.742 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.350 -3.045 15.485 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.792 -4.688 16.882 1.00 0.00 O ATOM 0 H GLU A 11 3.360 -4.898 11.129 1.00 0.00 H new ATOM 0 HA GLU A 11 3.061 -6.510 13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.348 -4.105 12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.262 -3.673 14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.336 -6.091 14.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.694 -5.366 14.065 1.00 0.00 H new ATOM 180 N LYS A 12 0.717 -4.276 12.877 1.00 0.00 N ATOM 181 CA LYS A 12 -0.626 -3.871 13.256 1.00 0.00 C ATOM 182 C LYS A 12 -1.562 -5.079 13.170 1.00 0.00 C ATOM 183 O LYS A 12 -2.634 -5.082 13.772 1.00 0.00 O ATOM 184 CB LYS A 12 -1.083 -2.678 12.416 1.00 0.00 C ATOM 185 CG LYS A 12 -2.337 -2.035 13.013 1.00 0.00 C ATOM 186 CD LYS A 12 -3.254 -1.497 11.912 1.00 0.00 C ATOM 187 CE LYS A 12 -4.200 -0.428 12.462 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.440 -1.049 12.979 1.00 0.00 N ATOM 0 H LYS A 12 1.099 -3.784 12.069 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.643 -3.528 14.290 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.283 -1.940 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.287 -3.004 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.875 -2.768 13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.051 -1.223 13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.653 -1.076 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.833 -2.315 11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.706 0.128 13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.445 0.288 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.071 -0.309 13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.919 -1.560 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.203 -1.715 13.742 1.00 0.00 H new ATOM 202 N TYR A 13 -1.122 -6.075 12.415 1.00 0.00 N ATOM 203 CA TYR A 13 -1.907 -7.285 12.241 1.00 0.00 C ATOM 204 C TYR A 13 -1.466 -8.370 13.226 1.00 0.00 C ATOM 205 O TYR A 13 -2.301 -9.030 13.843 1.00 0.00 O ATOM 206 CB TYR A 13 -1.632 -7.766 10.815 1.00 0.00 C ATOM 207 CG TYR A 13 -2.734 -7.409 9.815 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.941 -6.092 9.457 1.00 0.00 C ATOM 209 CD2 TYR A 13 -3.521 -8.404 9.272 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.978 -5.757 8.516 1.00 0.00 C ATOM 211 CE2 TYR A 13 -4.558 -8.068 8.331 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.735 -6.761 7.999 1.00 0.00 C ATOM 213 OH TYR A 13 -5.715 -6.445 7.110 1.00 0.00 O ATOM 0 H TYR A 13 -0.232 -6.069 11.917 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.964 -7.085 12.418 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.691 -7.336 10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.502 -8.848 10.826 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.325 -5.313 9.883 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.359 -9.434 9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.151 -4.731 8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.181 -8.837 7.899 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.173 -7.263 6.824 1.00 0.00 H new ATOM 223 N ALA A 14 -0.155 -8.521 13.342 1.00 0.00 N ATOM 224 CA ALA A 14 0.407 -9.515 14.241 1.00 0.00 C ATOM 225 C ALA A 14 0.059 -9.145 15.685 1.00 0.00 C ATOM 226 O ALA A 14 0.199 -9.966 16.591 1.00 0.00 O ATOM 227 CB ALA A 14 1.916 -9.615 14.013 1.00 0.00 C ATOM 0 H ALA A 14 0.534 -7.972 12.829 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.019 -10.498 14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.337 -10.361 14.687 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.109 -9.908 12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.378 -8.647 14.208 1.00 0.00 H new ATOM 233 N ALA A 15 -0.388 -7.910 15.854 1.00 0.00 N ATOM 234 CA ALA A 15 -0.757 -7.421 17.172 1.00 0.00 C ATOM 235 C ALA A 15 -2.206 -7.811 17.468 1.00 0.00 C ATOM 236 O ALA A 15 -2.592 -7.946 18.628 1.00 0.00 O ATOM 237 CB ALA A 15 -0.535 -5.909 17.237 1.00 0.00 C ATOM 0 H ALA A 15 -0.503 -7.233 15.100 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.130 -7.875 17.939 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.812 -5.543 18.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.515 -5.687 17.049 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.150 -5.418 16.483 1.00 0.00 H new ATOM 243 N LYS A 16 -2.970 -7.981 16.399 1.00 0.00 N ATOM 244 CA LYS A 16 -4.369 -8.352 16.529 1.00 0.00 C ATOM 245 C LYS A 16 -4.479 -9.616 17.385 1.00 0.00 C ATOM 246 O LYS A 16 -5.021 -9.578 18.488 1.00 0.00 O ATOM 247 CB LYS A 16 -5.019 -8.483 15.151 1.00 0.00 C ATOM 248 CG LYS A 16 -6.038 -7.366 14.916 1.00 0.00 C ATOM 249 CD LYS A 16 -5.340 -6.056 14.548 1.00 0.00 C ATOM 250 CE LYS A 16 -6.307 -4.874 14.644 1.00 0.00 C ATOM 251 NZ LYS A 16 -6.165 -4.194 15.951 1.00 0.00 N ATOM 0 H LYS A 16 -2.646 -7.869 15.438 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.925 -7.569 17.044 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.251 -8.448 14.378 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.511 -9.452 15.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.722 -7.655 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.639 -7.222 15.814 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.492 -5.892 15.213 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.942 -6.124 13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.110 -4.169 13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.332 -5.224 14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.828 -3.394 16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.375 -4.866 16.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.192 -3.843 16.056 1.00 0.00 H new ATOM 265 N GLU A 17 -3.956 -10.706 16.842 1.00 0.00 N ATOM 266 CA GLU A 17 -3.989 -11.979 17.542 1.00 0.00 C ATOM 267 C GLU A 17 -2.566 -12.473 17.812 1.00 0.00 C ATOM 268 O GLU A 17 -1.737 -12.514 16.905 1.00 0.00 O ATOM 269 CB GLU A 17 -4.789 -13.017 16.753 1.00 0.00 C ATOM 270 CG GLU A 17 -6.290 -12.739 16.847 1.00 0.00 C ATOM 271 CD GLU A 17 -7.064 -14.014 17.188 1.00 0.00 C ATOM 272 OE1 GLU A 17 -6.889 -15.001 16.442 1.00 0.00 O ATOM 273 OE2 GLU A 17 -7.813 -13.972 18.188 1.00 0.00 O ATOM 0 H GLU A 17 -3.507 -10.734 15.926 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.490 -11.833 18.499 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.478 -13.004 15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.575 -14.015 17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.476 -11.982 17.609 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.648 -12.334 15.901 1.00 0.00 H new ATOM 280 N GLY A 18 -2.327 -12.834 19.064 1.00 0.00 N ATOM 281 CA GLY A 18 -1.019 -13.324 19.465 1.00 0.00 C ATOM 282 C GLY A 18 0.028 -12.210 19.397 1.00 0.00 C ATOM 283 O GLY A 18 -0.279 -11.088 18.995 1.00 0.00 O ATOM 0 H GLY A 18 -3.017 -12.797 19.814 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.070 -13.719 20.480 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.721 -14.148 18.817 1.00 0.00 H new ATOM 287 N ASP A 19 1.242 -12.557 19.796 1.00 0.00 N ATOM 288 CA ASP A 19 2.336 -11.601 19.786 1.00 0.00 C ATOM 289 C ASP A 19 2.520 -11.059 18.367 1.00 0.00 C ATOM 290 O ASP A 19 2.389 -11.799 17.394 1.00 0.00 O ATOM 291 CB ASP A 19 3.648 -12.260 20.214 1.00 0.00 C ATOM 292 CG ASP A 19 4.634 -11.334 20.928 1.00 0.00 C ATOM 293 OD1 ASP A 19 5.398 -10.654 20.209 1.00 0.00 O ATOM 294 OD2 ASP A 19 4.603 -11.326 22.178 1.00 0.00 O ATOM 0 H ASP A 19 1.493 -13.488 20.129 1.00 0.00 H new ATOM 0 HA ASP A 19 2.091 -10.801 20.484 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.418 -13.098 20.872 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.135 -12.673 19.330 1.00 0.00 H new ATOM 299 N PRO A 20 2.828 -9.736 18.292 1.00 0.00 N ATOM 300 CA PRO A 20 3.031 -9.086 17.009 1.00 0.00 C ATOM 301 C PRO A 20 4.384 -9.471 16.407 1.00 0.00 C ATOM 302 O PRO A 20 4.712 -9.062 15.294 1.00 0.00 O ATOM 303 CB PRO A 20 2.911 -7.599 17.297 1.00 0.00 C ATOM 304 CG PRO A 20 3.108 -7.448 18.797 1.00 0.00 C ATOM 305 CD PRO A 20 2.991 -8.828 19.424 1.00 0.00 C ATOM 0 HA PRO A 20 2.299 -9.393 16.262 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.661 -7.033 16.746 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.936 -7.219 16.991 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.084 -7.013 19.012 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.360 -6.774 19.214 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.879 -9.075 20.006 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.140 -8.884 20.103 1.00 0.00 H new ATOM 313 N ASN A 21 5.134 -10.253 17.170 1.00 0.00 N ATOM 314 CA ASN A 21 6.444 -10.698 16.727 1.00 0.00 C ATOM 315 C ASN A 21 6.315 -12.071 16.065 1.00 0.00 C ATOM 316 O ASN A 21 7.313 -12.665 15.660 1.00 0.00 O ATOM 317 CB ASN A 21 7.410 -10.831 17.906 1.00 0.00 C ATOM 318 CG ASN A 21 7.902 -9.458 18.369 1.00 0.00 C ATOM 319 OD1 ASN A 21 8.524 -8.712 17.631 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.591 -9.168 19.629 1.00 0.00 N ATOM 0 H ASN A 21 4.859 -10.590 18.093 1.00 0.00 H new ATOM 0 HA ASN A 21 6.831 -9.958 16.026 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.914 -11.341 18.732 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.261 -11.447 17.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.876 -8.275 20.032 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.068 -9.838 20.192 1.00 0.00 H new ATOM 327 N GLN A 22 5.077 -12.535 15.975 1.00 0.00 N ATOM 328 CA GLN A 22 4.805 -13.827 15.369 1.00 0.00 C ATOM 329 C GLN A 22 3.415 -13.831 14.730 1.00 0.00 C ATOM 330 O GLN A 22 2.425 -13.509 15.386 1.00 0.00 O ATOM 331 CB GLN A 22 4.939 -14.954 16.396 1.00 0.00 C ATOM 332 CG GLN A 22 4.637 -14.448 17.808 1.00 0.00 C ATOM 333 CD GLN A 22 4.733 -15.583 18.829 1.00 0.00 C ATOM 334 OE1 GLN A 22 5.581 -16.456 18.747 1.00 0.00 O ATOM 335 NE2 GLN A 22 3.819 -15.521 19.793 1.00 0.00 N ATOM 0 H GLN A 22 4.252 -12.039 16.312 1.00 0.00 H new ATOM 0 HA GLN A 22 5.544 -14.002 14.587 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.256 -15.765 16.143 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.948 -15.365 16.361 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.338 -13.656 18.072 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.638 -14.012 17.836 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.138 -14.762 19.802 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.799 -16.232 20.524 1.00 0.00 H new ATOM 344 N LEU A 23 3.384 -14.199 13.458 1.00 0.00 N ATOM 345 CA LEU A 23 2.132 -14.249 12.723 1.00 0.00 C ATOM 346 C LEU A 23 1.489 -15.624 12.912 1.00 0.00 C ATOM 347 O LEU A 23 2.162 -16.582 13.291 1.00 0.00 O ATOM 348 CB LEU A 23 2.355 -13.872 11.257 1.00 0.00 C ATOM 349 CG LEU A 23 2.543 -12.381 10.970 1.00 0.00 C ATOM 350 CD1 LEU A 23 1.193 -11.677 10.818 1.00 0.00 C ATOM 351 CD2 LEU A 23 3.416 -11.722 12.040 1.00 0.00 C ATOM 0 H LEU A 23 4.207 -14.466 12.917 1.00 0.00 H new ATOM 0 HA LEU A 23 1.431 -13.512 13.115 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.234 -14.405 10.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.504 -14.229 10.677 1.00 0.00 H new ATOM 0 HG LEU A 23 3.067 -12.280 10.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.355 -10.619 10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.640 -12.125 9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.620 -11.786 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.534 -10.663 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.942 -11.833 13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.395 -12.201 12.056 1.00 0.00 H new ATOM 363 N SER A 24 0.193 -15.679 12.641 1.00 0.00 N ATOM 364 CA SER A 24 -0.548 -16.921 12.776 1.00 0.00 C ATOM 365 C SER A 24 -1.380 -17.174 11.518 1.00 0.00 C ATOM 366 O SER A 24 -1.631 -16.255 10.740 1.00 0.00 O ATOM 367 CB SER A 24 -1.451 -16.892 14.012 1.00 0.00 C ATOM 368 OG SER A 24 -0.710 -16.668 15.208 1.00 0.00 O ATOM 0 H SER A 24 -0.363 -14.883 12.328 1.00 0.00 H new ATOM 0 HA SER A 24 0.168 -17.734 12.900 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.199 -16.108 13.896 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.989 -17.837 14.090 1.00 0.00 H new ATOM 0 HG SER A 24 -1.321 -16.655 15.974 1.00 0.00 H new ATOM 374 N LYS A 25 -1.784 -18.426 11.356 1.00 0.00 N ATOM 375 CA LYS A 25 -2.582 -18.812 10.205 1.00 0.00 C ATOM 376 C LYS A 25 -3.816 -17.910 10.120 1.00 0.00 C ATOM 377 O LYS A 25 -4.022 -17.227 9.118 1.00 0.00 O ATOM 378 CB LYS A 25 -2.914 -20.304 10.259 1.00 0.00 C ATOM 379 CG LYS A 25 -3.587 -20.764 8.963 1.00 0.00 C ATOM 380 CD LYS A 25 -4.567 -21.908 9.231 1.00 0.00 C ATOM 381 CE LYS A 25 -5.994 -21.382 9.390 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.906 -22.473 9.800 1.00 0.00 N ATOM 0 H LYS A 25 -1.573 -19.186 12.003 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.017 -18.668 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.002 -20.877 10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.572 -20.503 11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.115 -19.927 8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.829 -21.089 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.529 -22.624 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.270 -22.442 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.013 -20.585 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.335 -20.949 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.871 -22.099 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.900 -23.220 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.589 -22.868 10.708 1.00 0.00 H new ATOM 396 N GLU A 26 -4.604 -17.938 11.184 1.00 0.00 N ATOM 397 CA GLU A 26 -5.812 -17.133 11.242 1.00 0.00 C ATOM 398 C GLU A 26 -5.478 -15.658 11.010 1.00 0.00 C ATOM 399 O GLU A 26 -6.229 -14.944 10.347 1.00 0.00 O ATOM 400 CB GLU A 26 -6.537 -17.327 12.575 1.00 0.00 C ATOM 401 CG GLU A 26 -7.926 -17.932 12.361 1.00 0.00 C ATOM 402 CD GLU A 26 -8.962 -17.261 13.266 1.00 0.00 C ATOM 403 OE1 GLU A 26 -8.732 -17.271 14.494 1.00 0.00 O ATOM 404 OE2 GLU A 26 -9.959 -16.755 12.708 1.00 0.00 O ATOM 0 H GLU A 26 -4.430 -18.506 12.013 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.483 -17.463 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.949 -17.978 13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.629 -16.369 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.220 -17.817 11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.896 -19.002 12.567 1.00 0.00 H new ATOM 411 N GLU A 27 -4.350 -15.245 11.569 1.00 0.00 N ATOM 412 CA GLU A 27 -3.906 -13.868 11.431 1.00 0.00 C ATOM 413 C GLU A 27 -3.602 -13.552 9.965 1.00 0.00 C ATOM 414 O GLU A 27 -4.218 -12.665 9.377 1.00 0.00 O ATOM 415 CB GLU A 27 -2.689 -13.592 12.315 1.00 0.00 C ATOM 416 CG GLU A 27 -3.084 -12.799 13.562 1.00 0.00 C ATOM 417 CD GLU A 27 -2.180 -11.578 13.744 1.00 0.00 C ATOM 418 OE1 GLU A 27 -1.715 -11.056 12.708 1.00 0.00 O ATOM 419 OE2 GLU A 27 -1.975 -11.194 14.916 1.00 0.00 O ATOM 0 H GLU A 27 -3.730 -15.840 12.119 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.711 -13.213 11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.229 -14.535 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.942 -13.036 11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.122 -12.478 13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.017 -13.440 14.441 1.00 0.00 H new ATOM 426 N LEU A 28 -2.652 -14.296 9.418 1.00 0.00 N ATOM 427 CA LEU A 28 -2.259 -14.107 8.032 1.00 0.00 C ATOM 428 C LEU A 28 -3.506 -14.128 7.145 1.00 0.00 C ATOM 429 O LEU A 28 -3.653 -13.291 6.255 1.00 0.00 O ATOM 430 CB LEU A 28 -1.201 -15.136 7.630 1.00 0.00 C ATOM 431 CG LEU A 28 -0.321 -14.762 6.435 1.00 0.00 C ATOM 432 CD1 LEU A 28 -0.319 -13.249 6.209 1.00 0.00 C ATOM 433 CD2 LEU A 28 1.095 -15.319 6.602 1.00 0.00 C ATOM 0 H LEU A 28 -2.143 -15.031 9.909 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.789 -13.132 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.555 -15.318 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.704 -16.076 7.405 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.744 -15.221 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.314 -13.010 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.336 -12.909 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.067 -12.749 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.700 -15.039 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.543 -14.909 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.052 -16.405 6.678 1.00 0.00 H new ATOM 445 N LYS A 29 -4.371 -15.093 7.418 1.00 0.00 N ATOM 446 CA LYS A 29 -5.600 -15.234 6.656 1.00 0.00 C ATOM 447 C LYS A 29 -6.218 -13.853 6.433 1.00 0.00 C ATOM 448 O LYS A 29 -6.489 -13.466 5.297 1.00 0.00 O ATOM 449 CB LYS A 29 -6.543 -16.227 7.339 1.00 0.00 C ATOM 450 CG LYS A 29 -7.799 -16.459 6.496 1.00 0.00 C ATOM 451 CD LYS A 29 -8.457 -17.794 6.850 1.00 0.00 C ATOM 452 CE LYS A 29 -9.875 -17.874 6.281 1.00 0.00 C ATOM 453 NZ LYS A 29 -10.037 -19.095 5.462 1.00 0.00 N ATOM 0 H LYS A 29 -4.245 -15.785 8.157 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.392 -15.653 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.027 -17.174 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.825 -15.849 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.506 -15.646 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.539 -16.447 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.857 -18.615 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.489 -17.912 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.600 -17.876 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.080 -16.992 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.005 -19.133 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.358 -19.077 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.862 -19.934 6.051 1.00 0.00 H new ATOM 467 N LEU A 30 -6.423 -13.146 7.535 1.00 0.00 N ATOM 468 CA LEU A 30 -7.003 -11.816 7.474 1.00 0.00 C ATOM 469 C LEU A 30 -6.190 -10.952 6.508 1.00 0.00 C ATOM 470 O LEU A 30 -6.732 -10.413 5.544 1.00 0.00 O ATOM 471 CB LEU A 30 -7.126 -11.219 8.878 1.00 0.00 C ATOM 472 CG LEU A 30 -7.962 -12.022 9.877 1.00 0.00 C ATOM 473 CD1 LEU A 30 -8.300 -11.180 11.109 1.00 0.00 C ATOM 474 CD2 LEU A 30 -9.216 -12.591 9.210 1.00 0.00 C ATOM 0 H LEU A 30 -6.197 -13.470 8.476 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.019 -11.863 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.124 -11.097 9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.558 -10.222 8.791 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.367 -12.869 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.895 -11.774 11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.378 -10.865 11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.868 -10.301 10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.792 -13.157 9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.825 -11.774 8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.926 -13.248 8.390 1.00 0.00 H new ATOM 486 N LEU A 31 -4.902 -10.848 6.800 1.00 0.00 N ATOM 487 CA LEU A 31 -4.008 -10.059 5.969 1.00 0.00 C ATOM 488 C LEU A 31 -4.192 -10.461 4.504 1.00 0.00 C ATOM 489 O LEU A 31 -4.620 -9.650 3.684 1.00 0.00 O ATOM 490 CB LEU A 31 -2.565 -10.185 6.464 1.00 0.00 C ATOM 491 CG LEU A 31 -1.645 -9.002 6.156 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.385 -8.169 7.413 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.345 -9.475 5.503 1.00 0.00 C ATOM 0 H LEU A 31 -4.456 -11.297 7.600 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.255 -9.000 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.584 -10.334 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.129 -11.083 6.026 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.149 -8.354 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.728 -7.334 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.330 -7.786 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.911 -8.792 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.291 -8.615 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.175 -10.155 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.573 -9.992 4.571 1.00 0.00 H new ATOM 505 N LEU A 32 -3.861 -11.712 4.221 1.00 0.00 N ATOM 506 CA LEU A 32 -3.985 -12.231 2.869 1.00 0.00 C ATOM 507 C LEU A 32 -5.385 -11.922 2.336 1.00 0.00 C ATOM 508 O LEU A 32 -5.602 -11.904 1.125 1.00 0.00 O ATOM 509 CB LEU A 32 -3.627 -13.718 2.832 1.00 0.00 C ATOM 510 CG LEU A 32 -2.230 -14.084 3.338 1.00 0.00 C ATOM 511 CD1 LEU A 32 -2.056 -15.602 3.415 1.00 0.00 C ATOM 512 CD2 LEU A 32 -1.147 -13.425 2.482 1.00 0.00 C ATOM 0 H LEU A 32 -3.507 -12.382 4.904 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.275 -11.739 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.361 -14.263 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.723 -14.069 1.805 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.120 -13.696 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.055 -15.836 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.796 -16.019 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.193 -16.035 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.164 -13.701 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.244 -13.762 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.260 -12.342 2.522 1.00 0.00 H new ATOM 524 N GLN A 33 -6.300 -11.687 3.265 1.00 0.00 N ATOM 525 CA GLN A 33 -7.673 -11.380 2.903 1.00 0.00 C ATOM 526 C GLN A 33 -7.756 -9.992 2.265 1.00 0.00 C ATOM 527 O GLN A 33 -8.261 -9.846 1.153 1.00 0.00 O ATOM 528 CB GLN A 33 -8.596 -11.480 4.119 1.00 0.00 C ATOM 529 CG GLN A 33 -9.887 -12.223 3.768 1.00 0.00 C ATOM 530 CD GLN A 33 -10.957 -12.000 4.839 1.00 0.00 C ATOM 531 OE1 GLN A 33 -11.639 -10.989 4.871 1.00 0.00 O ATOM 532 NE2 GLN A 33 -11.063 -12.997 5.713 1.00 0.00 N ATOM 0 H GLN A 33 -6.117 -11.703 4.268 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.008 -12.115 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.082 -11.999 4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.835 -10.480 4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.257 -11.880 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.682 -13.289 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.460 -13.816 5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.747 -12.943 6.468 1.00 0.00 H new ATOM 541 N THR A 34 -7.253 -9.008 2.996 1.00 0.00 N ATOM 542 CA THR A 34 -7.264 -7.637 2.515 1.00 0.00 C ATOM 543 C THR A 34 -5.971 -7.327 1.759 1.00 0.00 C ATOM 544 O THR A 34 -6.009 -6.833 0.633 1.00 0.00 O ATOM 545 CB THR A 34 -7.502 -6.718 3.714 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.877 -6.358 3.608 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.758 -5.387 3.589 1.00 0.00 C ATOM 0 H THR A 34 -6.835 -9.133 3.918 1.00 0.00 H new ATOM 0 HA THR A 34 -8.069 -7.475 1.798 1.00 0.00 H new ATOM 0 HB THR A 34 -7.189 -7.225 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.117 -5.763 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.961 -4.773 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.687 -5.574 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.095 -4.864 2.694 1.00 0.00 H new ATOM 555 N GLU A 35 -4.856 -7.631 2.408 1.00 0.00 N ATOM 556 CA GLU A 35 -3.553 -7.391 1.811 1.00 0.00 C ATOM 557 C GLU A 35 -3.528 -7.903 0.369 1.00 0.00 C ATOM 558 O GLU A 35 -3.287 -7.136 -0.562 1.00 0.00 O ATOM 559 CB GLU A 35 -2.442 -8.035 2.642 1.00 0.00 C ATOM 560 CG GLU A 35 -1.091 -7.922 1.932 1.00 0.00 C ATOM 561 CD GLU A 35 -0.156 -6.970 2.681 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.657 -5.912 3.119 1.00 0.00 O ATOM 563 OE2 GLU A 35 1.037 -7.322 2.797 1.00 0.00 O ATOM 0 H GLU A 35 -4.828 -8.041 3.341 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.373 -6.316 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.386 -7.552 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.677 -9.084 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.631 -8.907 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.240 -7.564 0.913 1.00 0.00 H new ATOM 570 N PHE A 36 -3.779 -9.196 0.230 1.00 0.00 N ATOM 571 CA PHE A 36 -3.788 -9.820 -1.082 1.00 0.00 C ATOM 572 C PHE A 36 -4.730 -11.026 -1.110 1.00 0.00 C ATOM 573 O PHE A 36 -4.317 -12.148 -0.822 1.00 0.00 O ATOM 574 CB PHE A 36 -2.361 -10.297 -1.360 1.00 0.00 C ATOM 575 CG PHE A 36 -1.367 -9.164 -1.625 1.00 0.00 C ATOM 576 CD1 PHE A 36 -1.551 -8.331 -2.684 1.00 0.00 C ATOM 577 CD2 PHE A 36 -0.300 -8.989 -0.800 1.00 0.00 C ATOM 578 CE1 PHE A 36 -0.629 -7.280 -2.930 1.00 0.00 C ATOM 579 CE2 PHE A 36 0.623 -7.938 -1.046 1.00 0.00 C ATOM 580 CZ PHE A 36 0.439 -7.106 -2.105 1.00 0.00 C ATOM 0 H PHE A 36 -3.978 -9.829 1.005 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.132 -9.106 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.012 -10.881 -0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.373 -10.965 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.399 -8.469 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.155 -9.649 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.775 -6.619 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.471 -7.800 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.141 -6.307 -2.292 1.00 0.00 H new ATOM 590 N PRO A 37 -6.012 -10.745 -1.468 1.00 0.00 N ATOM 591 CA PRO A 37 -7.016 -11.793 -1.537 1.00 0.00 C ATOM 592 C PRO A 37 -6.820 -12.658 -2.784 1.00 0.00 C ATOM 593 O PRO A 37 -7.352 -13.764 -2.866 1.00 0.00 O ATOM 594 CB PRO A 37 -8.349 -11.062 -1.525 1.00 0.00 C ATOM 595 CG PRO A 37 -8.041 -9.627 -1.917 1.00 0.00 C ATOM 596 CD PRO A 37 -6.537 -9.428 -1.815 1.00 0.00 C ATOM 0 HA PRO A 37 -6.953 -12.492 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.050 -11.516 -2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.810 -11.107 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.385 -9.426 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.563 -8.931 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.120 -9.071 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.286 -8.689 -1.054 1.00 0.00 H new ATOM 604 N SER A 38 -6.056 -12.122 -3.724 1.00 0.00 N ATOM 605 CA SER A 38 -5.783 -12.831 -4.962 1.00 0.00 C ATOM 606 C SER A 38 -4.886 -14.039 -4.687 1.00 0.00 C ATOM 607 O SER A 38 -5.002 -15.067 -5.352 1.00 0.00 O ATOM 608 CB SER A 38 -5.130 -11.908 -5.993 1.00 0.00 C ATOM 609 OG SER A 38 -5.873 -11.855 -7.208 1.00 0.00 O ATOM 0 H SER A 38 -5.617 -11.204 -3.653 1.00 0.00 H new ATOM 0 HA SER A 38 -6.731 -13.177 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.043 -10.904 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.118 -12.256 -6.202 1.00 0.00 H new ATOM 0 HG SER A 38 -5.425 -11.254 -7.840 1.00 0.00 H new ATOM 615 N LEU A 39 -4.011 -13.874 -3.706 1.00 0.00 N ATOM 616 CA LEU A 39 -3.094 -14.939 -3.334 1.00 0.00 C ATOM 617 C LEU A 39 -3.880 -16.081 -2.688 1.00 0.00 C ATOM 618 O LEU A 39 -3.403 -17.213 -2.631 1.00 0.00 O ATOM 619 CB LEU A 39 -1.967 -14.392 -2.455 1.00 0.00 C ATOM 620 CG LEU A 39 -0.549 -14.550 -3.007 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.486 -13.996 -2.026 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.264 -16.006 -3.380 1.00 0.00 C ATOM 0 H LEU A 39 -3.917 -13.019 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.607 -15.349 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.151 -13.332 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.016 -14.888 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.472 -13.963 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.485 -14.121 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.294 -12.937 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.417 -14.535 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.751 -16.090 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.366 -16.635 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.973 -16.332 -4.141 1.00 0.00 H new ATOM 634 N LEU A 40 -5.071 -15.744 -2.216 1.00 0.00 N ATOM 635 CA LEU A 40 -5.928 -16.727 -1.575 1.00 0.00 C ATOM 636 C LEU A 40 -6.532 -17.643 -2.642 1.00 0.00 C ATOM 637 O LEU A 40 -6.834 -18.804 -2.369 1.00 0.00 O ATOM 638 CB LEU A 40 -6.972 -16.036 -0.695 1.00 0.00 C ATOM 639 CG LEU A 40 -6.431 -15.293 0.528 1.00 0.00 C ATOM 640 CD1 LEU A 40 -7.541 -14.501 1.223 1.00 0.00 C ATOM 641 CD2 LEU A 40 -5.727 -16.255 1.487 1.00 0.00 C ATOM 0 H LEU A 40 -5.463 -14.804 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.347 -17.359 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.526 -15.327 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.685 -16.787 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.686 -14.574 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.130 -13.982 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.958 -13.773 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.326 -15.184 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.352 -15.701 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.433 -17.014 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.894 -16.736 0.974 1.00 0.00 H new ATOM 653 N LYS A 41 -6.690 -17.086 -3.833 1.00 0.00 N ATOM 654 CA LYS A 41 -7.252 -17.838 -4.942 1.00 0.00 C ATOM 655 C LYS A 41 -6.249 -18.902 -5.392 1.00 0.00 C ATOM 656 O LYS A 41 -6.640 -19.990 -5.813 1.00 0.00 O ATOM 657 CB LYS A 41 -7.691 -16.893 -6.063 1.00 0.00 C ATOM 658 CG LYS A 41 -6.576 -16.712 -7.095 1.00 0.00 C ATOM 659 CD LYS A 41 -6.665 -17.776 -8.190 1.00 0.00 C ATOM 660 CE LYS A 41 -5.272 -18.168 -8.688 1.00 0.00 C ATOM 661 NZ LYS A 41 -4.969 -17.487 -9.967 1.00 0.00 N ATOM 0 H LYS A 41 -6.439 -16.123 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.154 -18.363 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.582 -17.290 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.963 -15.925 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.646 -15.720 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.606 -16.773 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.179 -18.657 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.260 -17.398 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.524 -17.902 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.218 -19.248 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.020 -17.764 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.673 -17.761 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.000 -16.457 -9.828 1.00 0.00 H new ATOM 675 N GLY A 42 -4.976 -18.551 -5.288 1.00 0.00 N ATOM 676 CA GLY A 42 -3.914 -19.462 -5.679 1.00 0.00 C ATOM 677 C GLY A 42 -4.218 -20.889 -5.219 1.00 0.00 C ATOM 678 O GLY A 42 -5.096 -21.101 -4.383 1.00 0.00 O ATOM 0 H GLY A 42 -4.656 -17.648 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.794 -19.443 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.969 -19.131 -5.248 1.00 0.00 H new ATOM 682 N MET A 43 -3.477 -21.830 -5.784 1.00 0.00 N ATOM 683 CA MET A 43 -3.657 -23.231 -5.442 1.00 0.00 C ATOM 684 C MET A 43 -3.104 -23.530 -4.047 1.00 0.00 C ATOM 685 O MET A 43 -3.221 -24.652 -3.557 1.00 0.00 O ATOM 686 CB MET A 43 -2.939 -24.104 -6.474 1.00 0.00 C ATOM 687 CG MET A 43 -3.504 -23.872 -7.877 1.00 0.00 C ATOM 688 SD MET A 43 -2.328 -24.414 -9.105 1.00 0.00 S ATOM 689 CE MET A 43 -3.152 -25.883 -9.696 1.00 0.00 C ATOM 0 H MET A 43 -2.750 -21.650 -6.477 1.00 0.00 H new ATOM 0 HA MET A 43 -4.724 -23.453 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.872 -23.880 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.046 -25.155 -6.204 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.442 -24.415 -7.995 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.728 -22.815 -8.018 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.549 -26.350 -10.474 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.285 -26.583 -8.871 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.126 -25.614 -10.104 1.00 0.00 H new ATOM 699 N SER A 44 -2.515 -22.506 -3.447 1.00 0.00 N ATOM 700 CA SER A 44 -1.944 -22.645 -2.118 1.00 0.00 C ATOM 701 C SER A 44 -2.974 -22.240 -1.062 1.00 0.00 C ATOM 702 O SER A 44 -3.151 -21.055 -0.785 1.00 0.00 O ATOM 703 CB SER A 44 -0.675 -21.803 -1.973 1.00 0.00 C ATOM 704 OG SER A 44 0.434 -22.386 -2.652 1.00 0.00 O ATOM 0 H SER A 44 -2.421 -21.577 -3.857 1.00 0.00 H new ATOM 0 HA SER A 44 -1.672 -23.690 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.856 -20.803 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.434 -21.690 -0.916 1.00 0.00 H new ATOM 0 HG SER A 44 1.224 -21.817 -2.537 1.00 0.00 H new ATOM 710 N THR A 45 -3.625 -23.248 -0.500 1.00 0.00 N ATOM 711 CA THR A 45 -4.633 -23.011 0.520 1.00 0.00 C ATOM 712 C THR A 45 -4.001 -22.364 1.754 1.00 0.00 C ATOM 713 O THR A 45 -2.778 -22.271 1.853 1.00 0.00 O ATOM 714 CB THR A 45 -5.324 -24.343 0.819 1.00 0.00 C ATOM 715 OG1 THR A 45 -4.275 -25.179 1.301 1.00 0.00 O ATOM 716 CG2 THR A 45 -5.810 -25.048 -0.448 1.00 0.00 C ATOM 0 H THR A 45 -3.474 -24.230 -0.731 1.00 0.00 H new ATOM 0 HA THR A 45 -5.389 -22.306 0.174 1.00 0.00 H new ATOM 0 HB THR A 45 -6.169 -24.171 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.636 -26.063 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.293 -25.988 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.524 -24.410 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.961 -25.250 -1.101 1.00 0.00 H new ATOM 724 N LEU A 46 -4.862 -21.935 2.665 1.00 0.00 N ATOM 725 CA LEU A 46 -4.403 -21.300 3.888 1.00 0.00 C ATOM 726 C LEU A 46 -3.334 -22.176 4.543 1.00 0.00 C ATOM 727 O LEU A 46 -2.179 -21.769 4.661 1.00 0.00 O ATOM 728 CB LEU A 46 -5.587 -20.986 4.805 1.00 0.00 C ATOM 729 CG LEU A 46 -5.468 -19.709 5.641 1.00 0.00 C ATOM 730 CD1 LEU A 46 -4.029 -19.495 6.113 1.00 0.00 C ATOM 731 CD2 LEU A 46 -6.006 -18.500 4.873 1.00 0.00 C ATOM 0 H LEU A 46 -5.875 -22.015 2.580 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.937 -20.340 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.486 -20.913 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.730 -21.828 5.482 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.085 -19.825 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.972 -18.581 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.716 -20.342 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.371 -19.409 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.910 -17.606 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.436 -18.370 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.056 -18.662 4.629 1.00 0.00 H new ATOM 743 N ASP A 47 -3.756 -23.364 4.951 1.00 0.00 N ATOM 744 CA ASP A 47 -2.848 -24.301 5.590 1.00 0.00 C ATOM 745 C ASP A 47 -1.561 -24.399 4.770 1.00 0.00 C ATOM 746 O ASP A 47 -0.463 -24.319 5.319 1.00 0.00 O ATOM 747 CB ASP A 47 -3.466 -25.699 5.669 1.00 0.00 C ATOM 748 CG ASP A 47 -4.283 -25.975 6.932 1.00 0.00 C ATOM 749 OD1 ASP A 47 -4.965 -25.030 7.385 1.00 0.00 O ATOM 750 OD2 ASP A 47 -4.208 -27.125 7.417 1.00 0.00 O ATOM 0 H ASP A 47 -4.714 -23.699 4.851 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.644 -23.939 6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.108 -25.846 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.667 -26.437 5.603 1.00 0.00 H new ATOM 755 N GLU A 48 -1.738 -24.570 3.468 1.00 0.00 N ATOM 756 CA GLU A 48 -0.604 -24.679 2.567 1.00 0.00 C ATOM 757 C GLU A 48 0.318 -23.467 2.724 1.00 0.00 C ATOM 758 O GLU A 48 1.534 -23.617 2.822 1.00 0.00 O ATOM 759 CB GLU A 48 -1.068 -24.830 1.117 1.00 0.00 C ATOM 760 CG GLU A 48 -0.774 -26.236 0.590 1.00 0.00 C ATOM 761 CD GLU A 48 -0.545 -26.218 -0.922 1.00 0.00 C ATOM 762 OE1 GLU A 48 0.625 -26.024 -1.317 1.00 0.00 O ATOM 763 OE2 GLU A 48 -1.545 -26.399 -1.650 1.00 0.00 O ATOM 0 H GLU A 48 -2.650 -24.636 3.016 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.042 -25.575 2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.137 -24.629 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.566 -24.091 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.107 -26.639 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.606 -26.899 0.827 1.00 0.00 H new ATOM 770 N LEU A 49 -0.298 -22.294 2.742 1.00 0.00 N ATOM 771 CA LEU A 49 0.451 -21.058 2.885 1.00 0.00 C ATOM 772 C LEU A 49 1.115 -21.025 4.263 1.00 0.00 C ATOM 773 O LEU A 49 2.265 -20.608 4.393 1.00 0.00 O ATOM 774 CB LEU A 49 -0.447 -19.851 2.607 1.00 0.00 C ATOM 775 CG LEU A 49 0.150 -18.762 1.713 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.676 -18.586 0.437 1.00 0.00 C ATOM 777 CD2 LEU A 49 0.305 -17.447 2.481 1.00 0.00 C ATOM 0 H LEU A 49 -1.308 -22.174 2.660 1.00 0.00 H new ATOM 0 HA LEU A 49 1.249 -21.010 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.368 -20.207 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.722 -19.400 3.561 1.00 0.00 H new ATOM 0 HG LEU A 49 1.148 -19.078 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.230 -17.806 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.692 -19.524 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.695 -18.302 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.731 -16.690 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.671 -17.114 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.966 -17.600 3.334 1.00 0.00 H new ATOM 789 N PHE A 50 0.362 -21.472 5.258 1.00 0.00 N ATOM 790 CA PHE A 50 0.863 -21.499 6.622 1.00 0.00 C ATOM 791 C PHE A 50 2.116 -22.371 6.728 1.00 0.00 C ATOM 792 O PHE A 50 3.140 -21.931 7.247 1.00 0.00 O ATOM 793 CB PHE A 50 -0.241 -22.104 7.491 1.00 0.00 C ATOM 794 CG PHE A 50 0.019 -21.991 8.995 1.00 0.00 C ATOM 795 CD1 PHE A 50 0.280 -20.777 9.550 1.00 0.00 C ATOM 796 CD2 PHE A 50 -0.011 -23.104 9.776 1.00 0.00 C ATOM 797 CE1 PHE A 50 0.521 -20.672 10.945 1.00 0.00 C ATOM 798 CE2 PHE A 50 0.230 -22.998 11.171 1.00 0.00 C ATOM 799 CZ PHE A 50 0.491 -21.785 11.727 1.00 0.00 C ATOM 0 H PHE A 50 -0.591 -21.818 5.147 1.00 0.00 H new ATOM 0 HA PHE A 50 1.127 -20.491 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.184 -21.611 7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.359 -23.156 7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.304 -19.893 8.930 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.218 -24.068 9.335 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.728 -19.708 11.386 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.206 -23.882 11.791 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.674 -21.705 12.788 1.00 0.00 H new ATOM 809 N GLU A 51 1.992 -23.592 6.229 1.00 0.00 N ATOM 810 CA GLU A 51 3.101 -24.530 6.261 1.00 0.00 C ATOM 811 C GLU A 51 4.219 -24.063 5.326 1.00 0.00 C ATOM 812 O GLU A 51 5.399 -24.222 5.635 1.00 0.00 O ATOM 813 CB GLU A 51 2.637 -25.942 5.898 1.00 0.00 C ATOM 814 CG GLU A 51 2.607 -26.844 7.133 1.00 0.00 C ATOM 815 CD GLU A 51 2.823 -28.309 6.747 1.00 0.00 C ATOM 816 OE1 GLU A 51 2.049 -28.790 5.892 1.00 0.00 O ATOM 817 OE2 GLU A 51 3.757 -28.914 7.316 1.00 0.00 O ATOM 0 H GLU A 51 1.140 -23.953 5.800 1.00 0.00 H new ATOM 0 HA GLU A 51 3.494 -24.563 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.644 -25.899 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.305 -26.367 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.380 -26.531 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.650 -26.736 7.644 1.00 0.00 H new ATOM 824 N GLU A 52 3.808 -23.495 4.202 1.00 0.00 N ATOM 825 CA GLU A 52 4.759 -23.004 3.220 1.00 0.00 C ATOM 826 C GLU A 52 5.583 -21.855 3.807 1.00 0.00 C ATOM 827 O GLU A 52 6.812 -21.904 3.806 1.00 0.00 O ATOM 828 CB GLU A 52 4.048 -22.568 1.937 1.00 0.00 C ATOM 829 CG GLU A 52 5.058 -22.221 0.841 1.00 0.00 C ATOM 830 CD GLU A 52 4.904 -20.766 0.395 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.929 -19.892 1.289 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.764 -20.559 -0.830 1.00 0.00 O ATOM 0 H GLU A 52 2.828 -23.364 3.950 1.00 0.00 H new ATOM 0 HA GLU A 52 5.437 -23.818 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.391 -23.366 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.417 -21.703 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.071 -22.387 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.916 -22.884 -0.013 1.00 0.00 H new ATOM 839 N LEU A 53 4.872 -20.849 4.295 1.00 0.00 N ATOM 840 CA LEU A 53 5.522 -19.691 4.884 1.00 0.00 C ATOM 841 C LEU A 53 6.407 -20.144 6.047 1.00 0.00 C ATOM 842 O LEU A 53 7.594 -19.825 6.089 1.00 0.00 O ATOM 843 CB LEU A 53 4.485 -18.636 5.276 1.00 0.00 C ATOM 844 CG LEU A 53 3.536 -18.183 4.164 1.00 0.00 C ATOM 845 CD1 LEU A 53 2.150 -17.859 4.724 1.00 0.00 C ATOM 846 CD2 LEU A 53 4.128 -17.008 3.383 1.00 0.00 C ATOM 0 H LEU A 53 3.853 -20.812 4.294 1.00 0.00 H new ATOM 0 HA LEU A 53 6.174 -19.209 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.888 -19.030 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.012 -17.761 5.656 1.00 0.00 H new ATOM 0 HG LEU A 53 3.414 -19.008 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.495 -17.540 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.733 -18.747 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.233 -17.059 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.434 -16.706 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.298 -16.170 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.074 -17.310 2.933 1.00 0.00 H new ATOM 858 N ASP A 54 5.795 -20.881 6.962 1.00 0.00 N ATOM 859 CA ASP A 54 6.512 -21.381 8.122 1.00 0.00 C ATOM 860 C ASP A 54 7.560 -22.400 7.669 1.00 0.00 C ATOM 861 O ASP A 54 7.222 -23.530 7.319 1.00 0.00 O ATOM 862 CB ASP A 54 5.563 -22.082 9.097 1.00 0.00 C ATOM 863 CG ASP A 54 6.173 -22.428 10.457 1.00 0.00 C ATOM 864 OD1 ASP A 54 6.423 -21.474 11.226 1.00 0.00 O ATOM 865 OD2 ASP A 54 6.374 -23.638 10.697 1.00 0.00 O ATOM 0 H ASP A 54 4.810 -21.144 6.923 1.00 0.00 H new ATOM 0 HA ASP A 54 6.979 -20.532 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.694 -21.444 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.203 -23.000 8.633 1.00 0.00 H new ATOM 870 N LYS A 55 8.811 -21.963 7.689 1.00 0.00 N ATOM 871 CA LYS A 55 9.910 -22.823 7.284 1.00 0.00 C ATOM 872 C LYS A 55 10.860 -23.020 8.467 1.00 0.00 C ATOM 873 O LYS A 55 11.818 -23.786 8.377 1.00 0.00 O ATOM 874 CB LYS A 55 10.593 -22.266 6.033 1.00 0.00 C ATOM 875 CG LYS A 55 11.282 -23.380 5.243 1.00 0.00 C ATOM 876 CD LYS A 55 10.474 -23.749 3.997 1.00 0.00 C ATOM 877 CE LYS A 55 9.979 -25.195 4.074 1.00 0.00 C ATOM 878 NZ LYS A 55 10.001 -25.822 2.734 1.00 0.00 N ATOM 0 H LYS A 55 9.088 -21.025 7.979 1.00 0.00 H new ATOM 0 HA LYS A 55 9.539 -23.809 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.855 -21.770 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.326 -21.512 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.282 -23.059 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.402 -24.259 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.624 -23.074 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.090 -23.618 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.607 -25.765 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.966 -25.218 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.662 -26.803 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.383 -25.287 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.973 -25.817 2.364 1.00 0.00 H new ATOM 892 N ASN A 56 10.561 -22.316 9.549 1.00 0.00 N ATOM 893 CA ASN A 56 11.377 -22.404 10.748 1.00 0.00 C ATOM 894 C ASN A 56 10.768 -23.437 11.699 1.00 0.00 C ATOM 895 O ASN A 56 11.267 -23.637 12.805 1.00 0.00 O ATOM 896 CB ASN A 56 11.428 -21.061 11.480 1.00 0.00 C ATOM 897 CG ASN A 56 11.792 -19.927 10.519 1.00 0.00 C ATOM 898 OD1 ASN A 56 10.941 -19.280 9.931 1.00 0.00 O ATOM 899 ND2 ASN A 56 13.100 -19.724 10.394 1.00 0.00 N ATOM 0 H ASN A 56 9.765 -21.682 9.620 1.00 0.00 H new ATOM 0 HA ASN A 56 12.385 -22.691 10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.461 -20.856 11.940 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.161 -21.109 12.286 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.445 -18.990 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.758 -20.303 10.916 1.00 0.00 H new ATOM 906 N GLY A 57 9.699 -24.066 11.232 1.00 0.00 N ATOM 907 CA GLY A 57 9.018 -25.074 12.027 1.00 0.00 C ATOM 908 C GLY A 57 8.958 -24.663 13.499 1.00 0.00 C ATOM 909 O GLY A 57 9.597 -25.283 14.347 1.00 0.00 O ATOM 0 H GLY A 57 9.288 -23.897 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.008 -25.222 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.537 -26.028 11.933 1.00 0.00 H new ATOM 913 N ASP A 58 8.184 -23.619 13.758 1.00 0.00 N ATOM 914 CA ASP A 58 8.032 -23.118 15.113 1.00 0.00 C ATOM 915 C ASP A 58 6.551 -22.853 15.392 1.00 0.00 C ATOM 916 O ASP A 58 5.978 -23.425 16.318 1.00 0.00 O ATOM 917 CB ASP A 58 8.791 -21.802 15.302 1.00 0.00 C ATOM 918 CG ASP A 58 8.889 -20.927 14.051 1.00 0.00 C ATOM 919 OD1 ASP A 58 7.965 -21.026 13.216 1.00 0.00 O ATOM 920 OD2 ASP A 58 9.886 -20.179 13.959 1.00 0.00 O ATOM 0 H ASP A 58 7.655 -23.106 13.052 1.00 0.00 H new ATOM 0 HA ASP A 58 8.432 -23.867 15.796 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.304 -21.229 16.091 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.799 -22.028 15.649 1.00 0.00 H new ATOM 925 N GLY A 59 5.973 -21.986 14.573 1.00 0.00 N ATOM 926 CA GLY A 59 4.570 -21.639 14.720 1.00 0.00 C ATOM 927 C GLY A 59 4.374 -20.122 14.690 1.00 0.00 C ATOM 928 O GLY A 59 3.599 -19.577 15.474 1.00 0.00 O ATOM 0 H GLY A 59 6.451 -21.514 13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.992 -22.100 13.919 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.189 -22.040 15.659 1.00 0.00 H new ATOM 932 N GLU A 60 5.091 -19.483 13.777 1.00 0.00 N ATOM 933 CA GLU A 60 5.006 -18.040 13.634 1.00 0.00 C ATOM 934 C GLU A 60 5.552 -17.608 12.272 1.00 0.00 C ATOM 935 O GLU A 60 6.688 -17.928 11.924 1.00 0.00 O ATOM 936 CB GLU A 60 5.746 -17.332 14.771 1.00 0.00 C ATOM 937 CG GLU A 60 7.168 -17.875 14.922 1.00 0.00 C ATOM 938 CD GLU A 60 7.322 -18.652 16.231 1.00 0.00 C ATOM 939 OE1 GLU A 60 6.434 -19.490 16.502 1.00 0.00 O ATOM 940 OE2 GLU A 60 8.323 -18.391 16.931 1.00 0.00 O ATOM 0 H GLU A 60 5.734 -19.939 13.129 1.00 0.00 H new ATOM 0 HA GLU A 60 3.957 -17.750 13.691 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.781 -16.260 14.575 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.200 -17.467 15.705 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.404 -18.525 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.880 -17.050 14.898 1.00 0.00 H new ATOM 947 N VAL A 61 4.718 -16.887 11.537 1.00 0.00 N ATOM 948 CA VAL A 61 5.104 -16.407 10.220 1.00 0.00 C ATOM 949 C VAL A 61 5.590 -14.961 10.331 1.00 0.00 C ATOM 950 O VAL A 61 5.050 -14.069 9.680 1.00 0.00 O ATOM 951 CB VAL A 61 3.939 -16.573 9.242 1.00 0.00 C ATOM 952 CG1 VAL A 61 4.241 -15.885 7.909 1.00 0.00 C ATOM 953 CG2 VAL A 61 3.605 -18.051 9.033 1.00 0.00 C ATOM 0 H VAL A 61 3.777 -16.623 11.828 1.00 0.00 H new ATOM 0 HA VAL A 61 5.930 -16.998 9.825 1.00 0.00 H new ATOM 0 HB VAL A 61 3.064 -16.091 9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.397 -16.018 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.407 -14.821 8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.134 -16.325 7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.774 -18.141 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.476 -18.567 8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.327 -18.500 9.987 1.00 0.00 H new ATOM 963 N SER A 62 6.607 -14.774 11.160 1.00 0.00 N ATOM 964 CA SER A 62 7.173 -13.452 11.365 1.00 0.00 C ATOM 965 C SER A 62 7.444 -12.784 10.015 1.00 0.00 C ATOM 966 O SER A 62 7.424 -13.444 8.977 1.00 0.00 O ATOM 967 CB SER A 62 8.459 -13.525 12.189 1.00 0.00 C ATOM 968 OG SER A 62 8.722 -14.846 12.653 1.00 0.00 O ATOM 0 H SER A 62 7.054 -15.517 11.698 1.00 0.00 H new ATOM 0 HA SER A 62 6.451 -12.853 11.921 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.297 -13.180 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.382 -12.850 13.041 1.00 0.00 H new ATOM 0 HG SER A 62 9.534 -15.188 12.224 1.00 0.00 H new ATOM 974 N PHE A 63 7.691 -11.484 10.073 1.00 0.00 N ATOM 975 CA PHE A 63 7.966 -10.720 8.868 1.00 0.00 C ATOM 976 C PHE A 63 9.024 -11.415 8.008 1.00 0.00 C ATOM 977 O PHE A 63 8.999 -11.310 6.782 1.00 0.00 O ATOM 978 CB PHE A 63 8.502 -9.358 9.314 1.00 0.00 C ATOM 979 CG PHE A 63 8.663 -8.350 8.175 1.00 0.00 C ATOM 980 CD1 PHE A 63 9.826 -8.297 7.472 1.00 0.00 C ATOM 981 CD2 PHE A 63 7.643 -7.505 7.865 1.00 0.00 C ATOM 982 CE1 PHE A 63 9.976 -7.361 6.415 1.00 0.00 C ATOM 983 CE2 PHE A 63 7.792 -6.569 6.808 1.00 0.00 C ATOM 984 CZ PHE A 63 8.956 -6.516 6.106 1.00 0.00 C ATOM 0 H PHE A 63 7.706 -10.940 10.936 1.00 0.00 H new ATOM 0 HA PHE A 63 7.058 -10.624 8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.828 -8.941 10.062 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.468 -9.500 9.799 1.00 0.00 H new ATOM 0 HD1 PHE A 63 10.636 -8.967 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.719 -7.546 8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.900 -7.320 5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.981 -5.899 6.561 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.070 -5.803 5.303 1.00 0.00 H new ATOM 994 N GLU A 64 9.928 -12.108 8.684 1.00 0.00 N ATOM 995 CA GLU A 64 10.992 -12.820 7.997 1.00 0.00 C ATOM 996 C GLU A 64 10.407 -13.759 6.941 1.00 0.00 C ATOM 997 O GLU A 64 10.790 -13.702 5.773 1.00 0.00 O ATOM 998 CB GLU A 64 11.868 -13.587 8.989 1.00 0.00 C ATOM 999 CG GLU A 64 11.027 -14.166 10.129 1.00 0.00 C ATOM 1000 CD GLU A 64 11.345 -15.647 10.347 1.00 0.00 C ATOM 1001 OE1 GLU A 64 11.774 -16.286 9.362 1.00 0.00 O ATOM 1002 OE2 GLU A 64 11.151 -16.106 11.493 1.00 0.00 O ATOM 0 H GLU A 64 9.946 -12.192 9.700 1.00 0.00 H new ATOM 0 HA GLU A 64 11.625 -12.089 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.390 -14.392 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.630 -12.923 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.220 -13.610 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.968 -14.047 9.901 1.00 0.00 H new ATOM 1009 N GLU A 65 9.489 -14.603 7.389 1.00 0.00 N ATOM 1010 CA GLU A 65 8.847 -15.553 6.497 1.00 0.00 C ATOM 1011 C GLU A 65 7.955 -14.821 5.492 1.00 0.00 C ATOM 1012 O GLU A 65 7.759 -15.291 4.373 1.00 0.00 O ATOM 1013 CB GLU A 65 8.046 -16.591 7.286 1.00 0.00 C ATOM 1014 CG GLU A 65 8.950 -17.371 8.242 1.00 0.00 C ATOM 1015 CD GLU A 65 8.238 -17.649 9.567 1.00 0.00 C ATOM 1016 OE1 GLU A 65 7.430 -18.603 9.588 1.00 0.00 O ATOM 1017 OE2 GLU A 65 8.517 -16.901 10.529 1.00 0.00 O ATOM 0 H GLU A 65 9.175 -14.649 8.358 1.00 0.00 H new ATOM 0 HA GLU A 65 9.623 -16.083 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.257 -16.094 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.559 -17.281 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.247 -18.313 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.863 -16.805 8.428 1.00 0.00 H new ATOM 1024 N PHE A 66 7.440 -13.680 5.928 1.00 0.00 N ATOM 1025 CA PHE A 66 6.574 -12.878 5.081 1.00 0.00 C ATOM 1026 C PHE A 66 7.291 -12.473 3.792 1.00 0.00 C ATOM 1027 O PHE A 66 6.678 -12.417 2.727 1.00 0.00 O ATOM 1028 CB PHE A 66 6.219 -11.617 5.871 1.00 0.00 C ATOM 1029 CG PHE A 66 4.975 -10.890 5.356 1.00 0.00 C ATOM 1030 CD1 PHE A 66 3.807 -11.567 5.202 1.00 0.00 C ATOM 1031 CD2 PHE A 66 5.039 -9.565 5.053 1.00 0.00 C ATOM 1032 CE1 PHE A 66 2.652 -10.892 4.724 1.00 0.00 C ATOM 1033 CE2 PHE A 66 3.884 -8.890 4.575 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.716 -9.568 4.421 1.00 0.00 C ATOM 0 H PHE A 66 7.606 -13.292 6.857 1.00 0.00 H new ATOM 0 HA PHE A 66 5.687 -13.450 4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.063 -11.887 6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.066 -10.932 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.757 -12.619 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.967 -9.027 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.724 -11.430 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.934 -7.838 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.838 -9.055 4.058 1.00 0.00 H new ATOM 1044 N GLN A 67 8.581 -12.200 3.930 1.00 0.00 N ATOM 1045 CA GLN A 67 9.388 -11.802 2.790 1.00 0.00 C ATOM 1046 C GLN A 67 9.390 -12.905 1.729 1.00 0.00 C ATOM 1047 O GLN A 67 9.784 -12.673 0.587 1.00 0.00 O ATOM 1048 CB GLN A 67 10.814 -11.454 3.222 1.00 0.00 C ATOM 1049 CG GLN A 67 10.807 -10.454 4.379 1.00 0.00 C ATOM 1050 CD GLN A 67 12.135 -9.696 4.456 1.00 0.00 C ATOM 1051 OE1 GLN A 67 13.179 -10.250 4.759 1.00 0.00 O ATOM 1052 NE2 GLN A 67 12.036 -8.402 4.166 1.00 0.00 N ATOM 0 H GLN A 67 9.087 -12.247 4.815 1.00 0.00 H new ATOM 0 HA GLN A 67 8.947 -10.906 2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.338 -12.361 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.362 -11.035 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.988 -9.747 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.629 -10.979 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.130 -8.002 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.866 -7.809 4.189 1.00 0.00 H new ATOM 1061 N VAL A 68 8.945 -14.082 2.145 1.00 0.00 N ATOM 1062 CA VAL A 68 8.890 -15.221 1.245 1.00 0.00 C ATOM 1063 C VAL A 68 7.675 -15.082 0.326 1.00 0.00 C ATOM 1064 O VAL A 68 7.736 -15.442 -0.849 1.00 0.00 O ATOM 1065 CB VAL A 68 8.886 -16.523 2.049 1.00 0.00 C ATOM 1066 CG1 VAL A 68 8.972 -17.739 1.124 1.00 0.00 C ATOM 1067 CG2 VAL A 68 10.018 -16.536 3.078 1.00 0.00 C ATOM 0 H VAL A 68 8.619 -14.271 3.093 1.00 0.00 H new ATOM 0 HA VAL A 68 9.776 -15.249 0.610 1.00 0.00 H new ATOM 0 HB VAL A 68 7.941 -16.579 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.967 -18.651 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.117 -17.743 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.893 -17.690 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.992 -17.472 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.976 -16.445 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.893 -15.700 3.767 1.00 0.00 H new ATOM 1077 N LEU A 69 6.599 -14.560 0.896 1.00 0.00 N ATOM 1078 CA LEU A 69 5.371 -14.369 0.142 1.00 0.00 C ATOM 1079 C LEU A 69 5.525 -13.153 -0.774 1.00 0.00 C ATOM 1080 O LEU A 69 4.949 -13.114 -1.861 1.00 0.00 O ATOM 1081 CB LEU A 69 4.171 -14.279 1.087 1.00 0.00 C ATOM 1082 CG LEU A 69 2.851 -14.832 0.548 1.00 0.00 C ATOM 1083 CD1 LEU A 69 2.980 -16.316 0.198 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.706 -14.572 1.530 1.00 0.00 C ATOM 0 H LEU A 69 6.552 -14.263 1.871 1.00 0.00 H new ATOM 0 HA LEU A 69 5.179 -15.230 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.417 -14.811 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.022 -13.233 1.354 1.00 0.00 H new ATOM 0 HG LEU A 69 2.611 -14.304 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.027 -16.684 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.749 -16.445 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.255 -16.878 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.779 -14.975 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.925 -15.057 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.597 -13.499 1.686 1.00 0.00 H new ATOM 1096 N VAL A 70 6.304 -12.191 -0.303 1.00 0.00 N ATOM 1097 CA VAL A 70 6.540 -10.978 -1.067 1.00 0.00 C ATOM 1098 C VAL A 70 6.955 -11.350 -2.492 1.00 0.00 C ATOM 1099 O VAL A 70 6.791 -10.556 -3.417 1.00 0.00 O ATOM 1100 CB VAL A 70 7.573 -10.103 -0.353 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.318 -9.211 -1.349 1.00 0.00 C ATOM 1102 CG2 VAL A 70 6.916 -9.267 0.747 1.00 0.00 C ATOM 0 H VAL A 70 6.780 -12.227 0.598 1.00 0.00 H new ATOM 0 HA VAL A 70 5.626 -10.388 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 70 8.303 -10.762 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.046 -8.599 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.833 -9.834 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.606 -8.564 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.672 -8.654 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.155 -8.622 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.453 -9.928 1.479 1.00 0.00 H new ATOM 1112 N LYS A 71 7.484 -12.557 -2.624 1.00 0.00 N ATOM 1113 CA LYS A 71 7.924 -13.044 -3.920 1.00 0.00 C ATOM 1114 C LYS A 71 6.702 -13.308 -4.802 1.00 0.00 C ATOM 1115 O LYS A 71 6.699 -12.968 -5.984 1.00 0.00 O ATOM 1116 CB LYS A 71 8.837 -14.261 -3.755 1.00 0.00 C ATOM 1117 CG LYS A 71 10.078 -14.139 -4.640 1.00 0.00 C ATOM 1118 CD LYS A 71 10.539 -15.513 -5.130 1.00 0.00 C ATOM 1119 CE LYS A 71 11.535 -16.139 -4.151 1.00 0.00 C ATOM 1120 NZ LYS A 71 12.844 -16.351 -4.807 1.00 0.00 N ATOM 0 H LYS A 71 7.618 -13.213 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 71 8.527 -12.289 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.138 -14.356 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.290 -15.168 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.858 -13.499 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.882 -13.660 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.677 -16.170 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.001 -15.416 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.657 -15.491 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.146 -17.090 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.508 -16.776 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.725 -16.988 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.221 -15.438 -5.134 1.00 0.00 H new ATOM 1134 N LYS A 72 5.692 -13.912 -4.193 1.00 0.00 N ATOM 1135 CA LYS A 72 4.466 -14.226 -4.908 1.00 0.00 C ATOM 1136 C LYS A 72 3.719 -12.928 -5.224 1.00 0.00 C ATOM 1137 O LYS A 72 3.077 -12.816 -6.267 1.00 0.00 O ATOM 1138 CB LYS A 72 3.632 -15.240 -4.123 1.00 0.00 C ATOM 1139 CG LYS A 72 4.334 -16.598 -4.063 1.00 0.00 C ATOM 1140 CD LYS A 72 4.337 -17.275 -5.435 1.00 0.00 C ATOM 1141 CE LYS A 72 3.975 -18.757 -5.317 1.00 0.00 C ATOM 1142 NZ LYS A 72 3.211 -19.201 -6.504 1.00 0.00 N ATOM 0 H LYS A 72 5.697 -14.192 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 72 4.692 -14.705 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.461 -14.870 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.654 -15.352 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.359 -16.466 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.832 -17.239 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.626 -16.775 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.321 -17.173 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.883 -19.352 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.386 -18.923 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.974 -20.209 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.335 -18.645 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.786 -19.061 -7.359 1.00 0.00 H new ATOM 1156 N ILE A 73 3.829 -11.981 -4.305 1.00 0.00 N ATOM 1157 CA ILE A 73 3.172 -10.696 -4.472 1.00 0.00 C ATOM 1158 C ILE A 73 3.935 -9.869 -5.509 1.00 0.00 C ATOM 1159 O ILE A 73 3.429 -8.860 -5.999 1.00 0.00 O ATOM 1160 CB ILE A 73 3.014 -9.994 -3.122 1.00 0.00 C ATOM 1161 CG1 ILE A 73 2.049 -10.761 -2.215 1.00 0.00 C ATOM 1162 CG2 ILE A 73 2.590 -8.536 -3.307 1.00 0.00 C ATOM 1163 CD1 ILE A 73 2.519 -10.724 -0.759 1.00 0.00 C ATOM 0 H ILE A 73 4.364 -12.078 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 73 2.160 -10.833 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 73 3.985 -9.986 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.052 -10.328 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.973 -11.795 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.485 -8.061 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.346 -8.008 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.636 -8.498 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.816 -11.276 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.506 -11.180 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.570 -9.690 -0.419 1.00 0.00 H new ATOM 1175 N SER A 74 5.140 -10.327 -5.814 1.00 0.00 N ATOM 1176 CA SER A 74 5.978 -9.643 -6.784 1.00 0.00 C ATOM 1177 C SER A 74 5.608 -10.087 -8.200 1.00 0.00 C ATOM 1178 O SER A 74 5.493 -9.260 -9.104 1.00 0.00 O ATOM 1179 CB SER A 74 7.460 -9.907 -6.515 1.00 0.00 C ATOM 1180 OG SER A 74 8.102 -8.786 -5.913 1.00 0.00 O ATOM 0 H SER A 74 5.556 -11.164 -5.406 1.00 0.00 H new ATOM 0 HA SER A 74 5.805 -8.571 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.561 -10.775 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.961 -10.151 -7.452 1.00 0.00 H new ATOM 0 HG SER A 74 9.046 -8.995 -5.756 1.00 0.00 H new ATOM 1186 N GLN A 75 5.432 -11.391 -8.351 1.00 0.00 N ATOM 1187 CA GLN A 75 5.077 -11.955 -9.642 1.00 0.00 C ATOM 1188 C GLN A 75 3.645 -11.568 -10.015 1.00 0.00 C ATOM 1189 O GLN A 75 3.421 -10.892 -11.017 1.00 0.00 O ATOM 1190 CB GLN A 75 5.253 -13.475 -9.644 1.00 0.00 C ATOM 1191 CG GLN A 75 6.029 -13.936 -10.880 1.00 0.00 C ATOM 1192 CD GLN A 75 6.819 -15.213 -10.586 1.00 0.00 C ATOM 1193 OE1 GLN A 75 6.638 -16.243 -11.214 1.00 0.00 O ATOM 1194 NE2 GLN A 75 7.703 -15.088 -9.600 1.00 0.00 N ATOM 0 H GLN A 75 5.529 -12.074 -7.600 1.00 0.00 H new ATOM 0 HA GLN A 75 5.751 -11.544 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.781 -13.785 -8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.276 -13.958 -9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.337 -14.114 -11.703 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.710 -13.148 -11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.804 -14.196 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.280 -15.884 -9.329 1.00 0.00 H new