USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.747 K(o=0.67,f=-0.92) USER MOD Set 1.2: A 22 GLN : amide:sc= -0.0803 K(o=0.67,f=-1.6) USER MOD Set 2.1: A 13 TYR OH : rot 160:sc= 0.125 USER MOD Set 2.2: A 34 THR OG1 : rot 69:sc= 1.78 USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= 0.233 (180deg=-0.132) USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= 0.165 (180deg=0.0962) USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= 0.267 (180deg=0) USER MOD Single : A 24 SER OG : rot 169:sc= 1.85 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= 0.745 K(o=0.75,f=-0.077) USER MOD Single : A 45 THR OG1 : rot -38:sc= 0.454 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.13 K(o=1.1,f=-0.13) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.18 K(o=-1.2,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00579) 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= -0.882 X(o=-0.88,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.402 2.642 -6.176 1.00 0.00 N ATOM 37 CA PRO A 3 -11.120 2.765 -5.496 1.00 0.00 C ATOM 38 C PRO A 3 -11.208 3.544 -4.180 1.00 0.00 C ATOM 39 O PRO A 3 -10.349 3.365 -3.322 1.00 0.00 O ATOM 40 CB PRO A 3 -10.172 3.440 -6.491 1.00 0.00 C ATOM 41 CG PRO A 3 -10.751 3.015 -7.839 1.00 0.00 C ATOM 42 CD PRO A 3 -12.252 3.055 -7.563 1.00 0.00 C ATOM 0 HA PRO A 3 -10.757 1.780 -5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.167 4.524 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.144 3.101 -6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.465 3.697 -8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.416 2.020 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.654 4.056 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.792 2.386 -8.233 1.00 0.00 H new ATOM 50 N GLU A 4 -12.233 4.388 -3.992 1.00 0.00 N ATOM 51 CA GLU A 4 -12.473 5.137 -2.781 1.00 0.00 C ATOM 52 C GLU A 4 -12.405 4.235 -1.541 1.00 0.00 C ATOM 53 O GLU A 4 -11.934 4.642 -0.483 1.00 0.00 O ATOM 54 CB GLU A 4 -13.838 5.814 -2.948 1.00 0.00 C ATOM 55 CG GLU A 4 -15.041 4.867 -2.795 1.00 0.00 C ATOM 56 CD GLU A 4 -16.348 5.547 -3.187 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.788 6.427 -2.416 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.870 5.180 -4.262 1.00 0.00 O ATOM 0 H GLU A 4 -12.933 4.564 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.702 5.891 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.925 6.614 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.881 6.280 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.890 3.984 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.105 4.524 -1.762 1.00 0.00 H new ATOM 65 N GLU A 5 -12.864 2.988 -1.674 1.00 0.00 N ATOM 66 CA GLU A 5 -12.837 2.026 -0.585 1.00 0.00 C ATOM 67 C GLU A 5 -11.381 1.812 -0.184 1.00 0.00 C ATOM 68 O GLU A 5 -10.988 1.997 0.965 1.00 0.00 O ATOM 69 CB GLU A 5 -13.472 0.708 -1.050 1.00 0.00 C ATOM 70 CG GLU A 5 -14.929 0.920 -1.468 1.00 0.00 C ATOM 71 CD GLU A 5 -15.514 -0.332 -2.112 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.039 -1.176 -1.354 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.427 -0.416 -3.356 1.00 0.00 O ATOM 0 H GLU A 5 -13.262 2.624 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.404 2.392 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.905 0.302 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.423 -0.027 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.523 1.193 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.990 1.753 -2.168 1.00 0.00 H new ATOM 80 N LEU A 6 -10.572 1.449 -1.177 1.00 0.00 N ATOM 81 CA LEU A 6 -9.154 1.180 -0.998 1.00 0.00 C ATOM 82 C LEU A 6 -8.444 2.453 -0.544 1.00 0.00 C ATOM 83 O LEU A 6 -7.477 2.388 0.204 1.00 0.00 O ATOM 84 CB LEU A 6 -8.549 0.573 -2.270 1.00 0.00 C ATOM 85 CG LEU A 6 -9.080 -0.848 -2.548 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.524 -1.355 -3.879 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.676 -1.845 -1.455 1.00 0.00 C ATOM 0 H LEU A 6 -10.890 1.333 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.016 0.435 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.775 1.216 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.464 0.541 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.168 -0.780 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.901 -2.359 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.838 -0.689 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.435 -1.379 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.074 -2.831 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.589 -1.897 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.078 -1.517 -0.496 1.00 0.00 H new ATOM 99 N LYS A 7 -8.929 3.616 -0.970 1.00 0.00 N ATOM 100 CA LYS A 7 -8.418 4.903 -0.534 1.00 0.00 C ATOM 101 C LYS A 7 -8.647 5.049 0.973 1.00 0.00 C ATOM 102 O LYS A 7 -7.784 5.560 1.685 1.00 0.00 O ATOM 103 CB LYS A 7 -9.105 6.015 -1.335 1.00 0.00 C ATOM 104 CG LYS A 7 -8.340 7.341 -1.254 1.00 0.00 C ATOM 105 CD LYS A 7 -8.967 8.364 -2.208 1.00 0.00 C ATOM 106 CE LYS A 7 -8.204 9.694 -2.189 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.832 9.548 -2.708 1.00 0.00 N ATOM 0 H LYS A 7 -9.698 3.687 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.346 4.977 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.191 5.710 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.118 6.158 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.362 7.722 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.293 7.183 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.973 7.962 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.006 8.536 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.742 10.430 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.168 10.077 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.153 9.655 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.721 8.607 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.653 10.279 -3.426 1.00 0.00 H new ATOM 121 N GLY A 8 -9.797 4.580 1.466 1.00 0.00 N ATOM 122 CA GLY A 8 -10.131 4.644 2.877 1.00 0.00 C ATOM 123 C GLY A 8 -9.134 3.787 3.644 1.00 0.00 C ATOM 124 O GLY A 8 -8.544 4.227 4.625 1.00 0.00 O ATOM 0 H GLY A 8 -10.519 4.146 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.095 5.675 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.147 4.285 3.043 1.00 0.00 H new ATOM 128 N ILE A 9 -8.936 2.557 3.174 1.00 0.00 N ATOM 129 CA ILE A 9 -8.000 1.607 3.763 1.00 0.00 C ATOM 130 C ILE A 9 -6.584 2.196 3.765 1.00 0.00 C ATOM 131 O ILE A 9 -5.908 2.213 4.793 1.00 0.00 O ATOM 132 CB ILE A 9 -8.088 0.284 2.990 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.520 -0.288 2.992 1.00 0.00 C ATOM 134 CG2 ILE A 9 -7.067 -0.727 3.519 1.00 0.00 C ATOM 135 CD1 ILE A 9 -10.098 -0.594 4.377 1.00 0.00 C ATOM 0 H ILE A 9 -9.430 2.189 2.361 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.257 1.408 4.803 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.838 0.491 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.178 0.421 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.529 -1.204 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.149 -1.656 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.061 -0.322 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.262 -0.924 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.107 -0.991 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.470 -1.330 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.129 0.321 4.969 1.00 0.00 H new ATOM 147 N PHE A 10 -6.138 2.687 2.607 1.00 0.00 N ATOM 148 CA PHE A 10 -4.843 3.321 2.434 1.00 0.00 C ATOM 149 C PHE A 10 -4.683 4.403 3.500 1.00 0.00 C ATOM 150 O PHE A 10 -3.704 4.397 4.234 1.00 0.00 O ATOM 151 CB PHE A 10 -4.750 3.930 1.027 1.00 0.00 C ATOM 152 CG PHE A 10 -3.526 4.793 0.806 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.531 6.113 1.292 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.304 4.207 0.429 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.340 6.670 1.772 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.107 4.913 0.637 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.119 6.079 1.419 1.00 0.00 C ATOM 0 H PHE A 10 -6.685 2.651 1.747 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.045 2.587 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.750 3.124 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.642 4.529 0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.444 6.690 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.286 3.223 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.362 7.544 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.185 4.561 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.189 6.520 1.748 1.00 0.00 H new ATOM 167 N GLU A 11 -5.646 5.326 3.583 1.00 0.00 N ATOM 168 CA GLU A 11 -5.619 6.418 4.545 1.00 0.00 C ATOM 169 C GLU A 11 -5.547 5.868 5.973 1.00 0.00 C ATOM 170 O GLU A 11 -4.730 6.319 6.775 1.00 0.00 O ATOM 171 CB GLU A 11 -6.849 7.310 4.328 1.00 0.00 C ATOM 172 CG GLU A 11 -6.781 8.591 5.168 1.00 0.00 C ATOM 173 CD GLU A 11 -7.981 9.489 4.887 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.919 10.216 3.871 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.942 9.422 5.684 1.00 0.00 O ATOM 0 H GLU A 11 -6.468 5.331 2.979 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.728 7.027 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.926 7.571 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.751 6.754 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.753 8.335 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.859 9.128 4.945 1.00 0.00 H new ATOM 182 N LYS A 12 -6.402 4.892 6.285 1.00 0.00 N ATOM 183 CA LYS A 12 -6.471 4.260 7.591 1.00 0.00 C ATOM 184 C LYS A 12 -5.080 3.799 8.009 1.00 0.00 C ATOM 185 O LYS A 12 -4.617 4.169 9.083 1.00 0.00 O ATOM 186 CB LYS A 12 -7.497 3.115 7.574 1.00 0.00 C ATOM 187 CG LYS A 12 -7.724 2.509 8.967 1.00 0.00 C ATOM 188 CD LYS A 12 -9.015 1.678 9.031 1.00 0.00 C ATOM 189 CE LYS A 12 -9.055 0.502 8.046 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.985 -0.476 8.303 1.00 0.00 N ATOM 0 H LYS A 12 -7.077 4.516 5.619 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.814 4.977 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.445 3.486 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.155 2.335 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.874 1.879 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.771 3.308 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.137 1.294 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.865 2.332 8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.023 0.005 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.962 0.880 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.344 -1.437 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.183 -0.287 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.671 -0.396 9.291 1.00 0.00 H new ATOM 204 N TYR A 13 -4.400 3.006 7.176 1.00 0.00 N ATOM 205 CA TYR A 13 -3.059 2.560 7.516 1.00 0.00 C ATOM 206 C TYR A 13 -2.074 3.727 7.508 1.00 0.00 C ATOM 207 O TYR A 13 -1.283 3.849 8.441 1.00 0.00 O ATOM 208 CB TYR A 13 -2.622 1.404 6.619 1.00 0.00 C ATOM 209 CG TYR A 13 -3.115 0.069 7.130 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.456 -0.285 6.917 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.265 -0.799 7.847 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.954 -1.484 7.440 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.800 -1.941 8.465 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.142 -2.292 8.252 1.00 0.00 C ATOM 215 OH TYR A 13 -4.652 -3.436 8.783 1.00 0.00 O ATOM 0 H TYR A 13 -4.753 2.669 6.280 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.070 2.173 8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.999 1.567 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.534 1.387 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.103 0.367 6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.209 -0.586 7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.966 -1.789 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.178 -2.550 9.105 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.918 -4.033 9.040 1.00 0.00 H new ATOM 225 N ALA A 14 -2.101 4.593 6.490 1.00 0.00 N ATOM 226 CA ALA A 14 -1.191 5.732 6.427 1.00 0.00 C ATOM 227 C ALA A 14 -1.194 6.537 7.732 1.00 0.00 C ATOM 228 O ALA A 14 -0.153 6.986 8.201 1.00 0.00 O ATOM 229 CB ALA A 14 -1.554 6.608 5.229 1.00 0.00 C ATOM 0 H ALA A 14 -2.744 4.524 5.701 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.175 5.358 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.875 7.459 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.469 6.024 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.578 6.967 5.337 1.00 0.00 H new ATOM 235 N ALA A 15 -2.369 6.711 8.339 1.00 0.00 N ATOM 236 CA ALA A 15 -2.511 7.435 9.592 1.00 0.00 C ATOM 237 C ALA A 15 -1.706 6.838 10.760 1.00 0.00 C ATOM 238 O ALA A 15 -1.425 7.559 11.712 1.00 0.00 O ATOM 239 CB ALA A 15 -3.994 7.529 9.955 1.00 0.00 C ATOM 0 H ALA A 15 -3.249 6.350 7.970 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.091 8.428 9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.105 8.071 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.529 8.057 9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.406 6.526 10.064 1.00 0.00 H new ATOM 245 N LYS A 16 -1.340 5.548 10.735 1.00 0.00 N ATOM 246 CA LYS A 16 -0.619 4.928 11.839 1.00 0.00 C ATOM 247 C LYS A 16 0.848 5.359 11.921 1.00 0.00 C ATOM 248 O LYS A 16 1.326 5.648 13.017 1.00 0.00 O ATOM 249 CB LYS A 16 -0.726 3.398 11.755 1.00 0.00 C ATOM 250 CG LYS A 16 -1.508 2.773 12.918 1.00 0.00 C ATOM 251 CD LYS A 16 -3.000 3.133 12.929 1.00 0.00 C ATOM 252 CE LYS A 16 -3.714 2.580 11.693 1.00 0.00 C ATOM 253 NZ LYS A 16 -5.156 2.872 11.733 1.00 0.00 N ATOM 0 H LYS A 16 -1.536 4.918 9.957 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.094 5.277 12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.209 3.127 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.277 2.972 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.406 1.689 12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.060 3.094 13.858 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.466 2.734 13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.115 4.216 12.964 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.278 3.014 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.560 1.503 11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.689 1.981 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.369 3.455 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.430 3.387 10.872 1.00 0.00 H new ATOM 267 N GLU A 17 1.579 5.384 10.801 1.00 0.00 N ATOM 268 CA GLU A 17 2.995 5.736 10.808 1.00 0.00 C ATOM 269 C GLU A 17 3.403 6.442 9.524 1.00 0.00 C ATOM 270 O GLU A 17 2.913 6.145 8.439 1.00 0.00 O ATOM 271 CB GLU A 17 3.859 4.491 11.037 1.00 0.00 C ATOM 272 CG GLU A 17 5.353 4.796 11.223 1.00 0.00 C ATOM 273 CD GLU A 17 6.160 3.512 11.365 1.00 0.00 C ATOM 274 OE1 GLU A 17 6.303 3.046 12.516 1.00 0.00 O ATOM 275 OE2 GLU A 17 6.616 3.025 10.308 1.00 0.00 O ATOM 0 H GLU A 17 1.207 5.163 9.877 1.00 0.00 H new ATOM 0 HA GLU A 17 3.158 6.430 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.493 3.964 11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.739 3.816 10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.720 5.368 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.493 5.417 12.107 1.00 0.00 H new ATOM 282 N GLY A 18 4.338 7.373 9.691 1.00 0.00 N ATOM 283 CA GLY A 18 4.869 8.219 8.638 1.00 0.00 C ATOM 284 C GLY A 18 3.939 9.417 8.463 1.00 0.00 C ATOM 285 O GLY A 18 3.081 9.673 9.308 1.00 0.00 O ATOM 0 H GLY A 18 4.760 7.562 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.874 8.554 8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.946 7.660 7.706 1.00 0.00 H new ATOM 289 N ASP A 19 4.091 10.164 7.372 1.00 0.00 N ATOM 290 CA ASP A 19 3.204 11.291 7.115 1.00 0.00 C ATOM 291 C ASP A 19 1.804 10.704 6.862 1.00 0.00 C ATOM 292 O ASP A 19 1.719 9.685 6.185 1.00 0.00 O ATOM 293 CB ASP A 19 3.731 12.085 5.915 1.00 0.00 C ATOM 294 CG ASP A 19 2.792 13.221 5.527 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.724 12.906 4.958 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.144 14.382 5.826 1.00 0.00 O ATOM 0 H ASP A 19 4.808 10.012 6.663 1.00 0.00 H new ATOM 0 HA ASP A 19 3.157 11.984 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.714 12.492 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.860 11.415 5.065 1.00 0.00 H new ATOM 301 N PRO A 20 0.710 11.299 7.370 1.00 0.00 N ATOM 302 CA PRO A 20 -0.640 10.759 7.216 1.00 0.00 C ATOM 303 C PRO A 20 -1.083 10.488 5.771 1.00 0.00 C ATOM 304 O PRO A 20 -2.003 9.706 5.559 1.00 0.00 O ATOM 305 CB PRO A 20 -1.573 11.734 7.944 1.00 0.00 C ATOM 306 CG PRO A 20 -0.758 13.023 8.041 1.00 0.00 C ATOM 307 CD PRO A 20 0.674 12.512 8.168 1.00 0.00 C ATOM 0 HA PRO A 20 -0.672 9.760 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.499 11.888 7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.849 11.361 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.887 13.650 7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.051 13.622 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.390 13.248 7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.930 12.309 9.208 1.00 0.00 H new ATOM 315 N ASN A 21 -0.456 11.108 4.767 1.00 0.00 N ATOM 316 CA ASN A 21 -0.778 10.882 3.367 1.00 0.00 C ATOM 317 C ASN A 21 -0.043 9.648 2.831 1.00 0.00 C ATOM 318 O ASN A 21 -0.365 9.162 1.749 1.00 0.00 O ATOM 319 CB ASN A 21 -0.313 12.119 2.593 1.00 0.00 C ATOM 320 CG ASN A 21 -0.558 12.002 1.097 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.659 12.221 0.613 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.458 11.657 0.324 1.00 0.00 N ATOM 0 H ASN A 21 0.294 11.785 4.911 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.849 10.713 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.833 12.998 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.751 12.276 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.326 11.572 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.374 11.476 0.736 1.00 0.00 H new ATOM 329 N GLN A 22 0.957 9.154 3.566 1.00 0.00 N ATOM 330 CA GLN A 22 1.823 8.077 3.138 1.00 0.00 C ATOM 331 C GLN A 22 1.743 6.769 3.927 1.00 0.00 C ATOM 332 O GLN A 22 1.527 6.756 5.130 1.00 0.00 O ATOM 333 CB GLN A 22 3.275 8.518 3.301 1.00 0.00 C ATOM 334 CG GLN A 22 3.763 9.841 2.732 1.00 0.00 C ATOM 335 CD GLN A 22 3.817 9.893 1.224 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.063 10.628 0.598 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.722 9.130 0.628 1.00 0.00 N ATOM 0 H GLN A 22 1.184 9.507 4.496 1.00 0.00 H new ATOM 0 HA GLN A 22 1.490 7.879 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.485 8.534 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.897 7.735 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.109 10.638 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.758 10.046 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.331 8.531 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.809 9.141 -0.388 1.00 0.00 H new ATOM 346 N LEU A 23 1.996 5.660 3.230 1.00 0.00 N ATOM 347 CA LEU A 23 2.123 4.323 3.790 1.00 0.00 C ATOM 348 C LEU A 23 3.606 4.044 4.026 1.00 0.00 C ATOM 349 O LEU A 23 4.338 3.824 3.066 1.00 0.00 O ATOM 350 CB LEU A 23 1.615 3.294 2.777 1.00 0.00 C ATOM 351 CG LEU A 23 0.146 2.917 2.941 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.223 1.940 1.816 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.146 2.221 4.273 1.00 0.00 C ATOM 0 H LEU A 23 2.122 5.675 2.218 1.00 0.00 H new ATOM 0 HA LEU A 23 1.551 4.257 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.766 3.687 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.220 2.391 2.860 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.435 3.839 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.271 1.655 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.064 2.420 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.403 1.051 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.207 1.977 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.441 1.305 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.120 2.884 5.096 1.00 0.00 H new ATOM 365 N SER A 24 4.083 4.035 5.268 1.00 0.00 N ATOM 366 CA SER A 24 5.496 3.751 5.504 1.00 0.00 C ATOM 367 C SER A 24 5.846 2.337 5.031 1.00 0.00 C ATOM 368 O SER A 24 4.968 1.488 4.890 1.00 0.00 O ATOM 369 CB SER A 24 5.887 3.982 6.973 1.00 0.00 C ATOM 370 OG SER A 24 5.612 2.844 7.770 1.00 0.00 O ATOM 0 H SER A 24 3.530 4.216 6.106 1.00 0.00 H new ATOM 0 HA SER A 24 6.085 4.454 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.948 4.222 7.034 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.343 4.841 7.364 1.00 0.00 H new ATOM 0 HG SER A 24 6.024 2.955 8.652 1.00 0.00 H new ATOM 376 N LYS A 25 7.131 2.069 4.793 1.00 0.00 N ATOM 377 CA LYS A 25 7.603 0.741 4.411 1.00 0.00 C ATOM 378 C LYS A 25 7.082 -0.288 5.408 1.00 0.00 C ATOM 379 O LYS A 25 6.532 -1.325 5.043 1.00 0.00 O ATOM 380 CB LYS A 25 9.133 0.795 4.272 1.00 0.00 C ATOM 381 CG LYS A 25 9.892 -0.543 4.235 1.00 0.00 C ATOM 382 CD LYS A 25 10.132 -1.244 5.584 1.00 0.00 C ATOM 383 CE LYS A 25 10.757 -0.315 6.630 1.00 0.00 C ATOM 384 NZ LYS A 25 11.060 -1.040 7.877 1.00 0.00 N ATOM 0 H LYS A 25 7.872 2.767 4.860 1.00 0.00 H new ATOM 0 HA LYS A 25 7.215 0.425 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.368 1.340 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.525 1.381 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.341 -1.228 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.860 -0.371 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.185 -1.627 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.785 -2.104 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.671 0.123 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.075 0.508 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.482 -0.385 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.183 -1.437 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.729 -1.810 7.677 1.00 0.00 H new ATOM 398 N GLU A 26 7.246 0.031 6.687 1.00 0.00 N ATOM 399 CA GLU A 26 6.763 -0.800 7.776 1.00 0.00 C ATOM 400 C GLU A 26 5.234 -0.913 7.685 1.00 0.00 C ATOM 401 O GLU A 26 4.681 -2.006 7.767 1.00 0.00 O ATOM 402 CB GLU A 26 7.226 -0.202 9.109 1.00 0.00 C ATOM 403 CG GLU A 26 7.002 -1.165 10.280 1.00 0.00 C ATOM 404 CD GLU A 26 7.468 -0.554 11.598 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.684 -0.278 11.691 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.603 -0.378 12.483 1.00 0.00 O ATOM 0 H GLU A 26 7.721 0.879 6.996 1.00 0.00 H new ATOM 0 HA GLU A 26 7.172 -1.808 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.284 0.050 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.688 0.727 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.944 -1.418 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.541 -2.095 10.097 1.00 0.00 H new ATOM 413 N GLU A 27 4.543 0.216 7.514 1.00 0.00 N ATOM 414 CA GLU A 27 3.091 0.258 7.429 1.00 0.00 C ATOM 415 C GLU A 27 2.546 -0.649 6.321 1.00 0.00 C ATOM 416 O GLU A 27 1.557 -1.354 6.520 1.00 0.00 O ATOM 417 CB GLU A 27 2.632 1.709 7.236 1.00 0.00 C ATOM 418 CG GLU A 27 1.160 1.908 7.602 1.00 0.00 C ATOM 419 CD GLU A 27 0.883 1.709 9.089 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.749 2.114 9.893 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.187 1.140 9.396 1.00 0.00 O ATOM 0 H GLU A 27 4.984 1.132 7.431 1.00 0.00 H new ATOM 0 HA GLU A 27 2.685 -0.127 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.248 2.367 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.788 2.002 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.852 2.913 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.551 1.210 7.028 1.00 0.00 H new ATOM 428 N LEU A 28 3.180 -0.637 5.146 1.00 0.00 N ATOM 429 CA LEU A 28 2.745 -1.471 4.042 1.00 0.00 C ATOM 430 C LEU A 28 2.685 -2.935 4.481 1.00 0.00 C ATOM 431 O LEU A 28 1.732 -3.637 4.155 1.00 0.00 O ATOM 432 CB LEU A 28 3.707 -1.292 2.860 1.00 0.00 C ATOM 433 CG LEU A 28 3.256 -2.042 1.594 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.962 -1.469 1.006 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.365 -1.985 0.540 1.00 0.00 C ATOM 0 H LEU A 28 3.994 -0.057 4.943 1.00 0.00 H new ATOM 0 HA LEU A 28 1.745 -1.172 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.799 -0.230 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.698 -1.643 3.149 1.00 0.00 H new ATOM 0 HG LEU A 28 3.057 -3.075 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.687 -2.033 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.163 -1.543 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.115 -0.423 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.043 -2.517 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.575 -0.945 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.267 -2.452 0.935 1.00 0.00 H new ATOM 447 N LYS A 29 3.693 -3.396 5.225 1.00 0.00 N ATOM 448 CA LYS A 29 3.760 -4.784 5.668 1.00 0.00 C ATOM 449 C LYS A 29 2.467 -5.175 6.383 1.00 0.00 C ATOM 450 O LYS A 29 1.729 -6.038 5.906 1.00 0.00 O ATOM 451 CB LYS A 29 4.986 -5.012 6.560 1.00 0.00 C ATOM 452 CG LYS A 29 5.077 -6.446 7.096 1.00 0.00 C ATOM 453 CD LYS A 29 5.448 -7.450 5.995 1.00 0.00 C ATOM 454 CE LYS A 29 5.506 -8.872 6.556 1.00 0.00 C ATOM 455 NZ LYS A 29 5.764 -9.861 5.493 1.00 0.00 N ATOM 0 H LYS A 29 4.477 -2.821 5.533 1.00 0.00 H new ATOM 0 HA LYS A 29 3.868 -5.426 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.889 -4.784 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.952 -4.317 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.821 -6.489 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.122 -6.729 7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.715 -7.401 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.413 -7.184 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.290 -8.935 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.565 -9.107 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.797 -10.815 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.003 -9.817 4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.674 -9.650 5.036 1.00 0.00 H new ATOM 469 N LEU A 30 2.204 -4.549 7.532 1.00 0.00 N ATOM 470 CA LEU A 30 0.994 -4.807 8.301 1.00 0.00 C ATOM 471 C LEU A 30 -0.248 -4.716 7.411 1.00 0.00 C ATOM 472 O LEU A 30 -1.112 -5.587 7.480 1.00 0.00 O ATOM 473 CB LEU A 30 0.841 -3.918 9.548 1.00 0.00 C ATOM 474 CG LEU A 30 1.724 -2.671 9.690 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.030 -1.658 10.608 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.087 -3.006 10.297 1.00 0.00 C ATOM 0 H LEU A 30 2.822 -3.854 7.950 1.00 0.00 H new ATOM 0 HA LEU A 30 1.094 -5.826 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.198 -3.591 9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.016 -4.545 10.422 1.00 0.00 H new ATOM 0 HG LEU A 30 1.875 -2.261 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.656 -0.771 10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.069 -1.376 10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.871 -2.105 11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.682 -2.096 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.948 -3.441 11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.605 -3.720 9.657 1.00 0.00 H new ATOM 488 N LEU A 31 -0.352 -3.677 6.580 1.00 0.00 N ATOM 489 CA LEU A 31 -1.486 -3.510 5.672 1.00 0.00 C ATOM 490 C LEU A 31 -1.727 -4.780 4.856 1.00 0.00 C ATOM 491 O LEU A 31 -2.818 -5.356 4.877 1.00 0.00 O ATOM 492 CB LEU A 31 -1.234 -2.330 4.720 1.00 0.00 C ATOM 493 CG LEU A 31 -2.494 -1.656 4.140 1.00 0.00 C ATOM 494 CD1 LEU A 31 -2.172 -1.061 2.768 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.736 -2.540 3.999 1.00 0.00 C ATOM 0 H LEU A 31 0.343 -2.933 6.518 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.372 -3.309 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.654 -1.576 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.618 -2.681 3.892 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.755 -0.900 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.063 -0.585 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.379 -0.320 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.843 -1.854 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.554 -1.954 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.514 -3.377 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.025 -2.920 4.979 1.00 0.00 H new ATOM 507 N LEU A 32 -0.688 -5.210 4.136 1.00 0.00 N ATOM 508 CA LEU A 32 -0.761 -6.366 3.259 1.00 0.00 C ATOM 509 C LEU A 32 -1.175 -7.584 4.062 1.00 0.00 C ATOM 510 O LEU A 32 -2.062 -8.336 3.672 1.00 0.00 O ATOM 511 CB LEU A 32 0.585 -6.623 2.568 1.00 0.00 C ATOM 512 CG LEU A 32 1.017 -5.516 1.605 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.463 -5.770 1.163 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.119 -5.425 0.367 1.00 0.00 C ATOM 0 H LEU A 32 0.227 -4.760 4.150 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.503 -6.168 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.354 -6.747 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.526 -7.563 2.020 1.00 0.00 H new ATOM 0 HG LEU A 32 0.932 -4.569 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.777 -4.984 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.116 -5.771 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.526 -6.736 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.472 -4.623 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.150 -6.370 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.906 -5.218 0.675 1.00 0.00 H new ATOM 526 N GLN A 33 -0.525 -7.761 5.204 1.00 0.00 N ATOM 527 CA GLN A 33 -0.752 -8.873 6.093 1.00 0.00 C ATOM 528 C GLN A 33 -2.204 -8.899 6.578 1.00 0.00 C ATOM 529 O GLN A 33 -2.807 -9.966 6.647 1.00 0.00 O ATOM 530 CB GLN A 33 0.235 -8.701 7.247 1.00 0.00 C ATOM 531 CG GLN A 33 1.599 -9.385 7.075 1.00 0.00 C ATOM 532 CD GLN A 33 2.062 -9.618 5.637 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.191 -10.746 5.186 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.341 -8.569 4.882 1.00 0.00 N ATOM 0 H GLN A 33 0.190 -7.115 5.539 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.592 -9.828 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.402 -7.635 7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.229 -9.084 8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.351 -8.782 7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.566 -10.348 7.584 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.233 -7.627 5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.664 -8.702 3.924 1.00 0.00 H new ATOM 543 N THR A 34 -2.765 -7.739 6.922 1.00 0.00 N ATOM 544 CA THR A 34 -4.121 -7.667 7.438 1.00 0.00 C ATOM 545 C THR A 34 -5.173 -7.892 6.350 1.00 0.00 C ATOM 546 O THR A 34 -6.022 -8.767 6.495 1.00 0.00 O ATOM 547 CB THR A 34 -4.395 -6.317 8.130 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.356 -5.915 9.003 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.689 -6.410 8.950 1.00 0.00 C ATOM 0 H THR A 34 -2.294 -6.837 6.850 1.00 0.00 H new ATOM 0 HA THR A 34 -4.202 -8.471 8.169 1.00 0.00 H new ATOM 0 HB THR A 34 -4.473 -5.577 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.561 -5.681 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.880 -5.454 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.521 -6.653 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.586 -7.189 9.706 1.00 0.00 H new ATOM 557 N GLU A 35 -5.152 -7.077 5.288 1.00 0.00 N ATOM 558 CA GLU A 35 -6.212 -7.089 4.282 1.00 0.00 C ATOM 559 C GLU A 35 -5.888 -7.795 2.968 1.00 0.00 C ATOM 560 O GLU A 35 -6.804 -8.002 2.175 1.00 0.00 O ATOM 561 CB GLU A 35 -6.702 -5.654 4.054 1.00 0.00 C ATOM 562 CG GLU A 35 -7.235 -5.066 5.374 1.00 0.00 C ATOM 563 CD GLU A 35 -7.987 -3.753 5.196 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.600 -3.579 4.120 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.951 -2.950 6.154 1.00 0.00 O ATOM 0 H GLU A 35 -4.410 -6.401 5.106 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.008 -7.709 4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.887 -5.038 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.487 -5.644 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.896 -5.793 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.399 -4.907 6.055 1.00 0.00 H new ATOM 572 N PHE A 36 -4.637 -8.182 2.714 1.00 0.00 N ATOM 573 CA PHE A 36 -4.272 -8.859 1.477 1.00 0.00 C ATOM 574 C PHE A 36 -3.362 -10.068 1.740 1.00 0.00 C ATOM 575 O PHE A 36 -2.400 -10.236 0.997 1.00 0.00 O ATOM 576 CB PHE A 36 -3.582 -7.831 0.560 1.00 0.00 C ATOM 577 CG PHE A 36 -4.408 -6.587 0.279 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.471 -6.648 -0.642 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.205 -5.410 1.025 1.00 0.00 C ATOM 580 CE1 PHE A 36 -6.340 -5.556 -0.792 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.053 -4.304 0.848 1.00 0.00 C ATOM 582 CZ PHE A 36 -6.130 -4.383 -0.046 1.00 0.00 C ATOM 0 H PHE A 36 -3.858 -8.035 3.356 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.168 -9.250 0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.639 -7.531 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.339 -8.313 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.618 -7.538 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.394 -5.357 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.170 -5.617 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.875 -3.393 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.798 -3.543 -0.162 1.00 0.00 H new ATOM 592 N PRO A 37 -3.625 -10.917 2.753 1.00 0.00 N ATOM 593 CA PRO A 37 -2.759 -12.041 3.096 1.00 0.00 C ATOM 594 C PRO A 37 -2.530 -12.989 1.920 1.00 0.00 C ATOM 595 O PRO A 37 -1.416 -13.463 1.716 1.00 0.00 O ATOM 596 CB PRO A 37 -3.413 -12.736 4.296 1.00 0.00 C ATOM 597 CG PRO A 37 -4.870 -12.282 4.238 1.00 0.00 C ATOM 598 CD PRO A 37 -4.759 -10.872 3.662 1.00 0.00 C ATOM 0 HA PRO A 37 -1.759 -11.692 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.330 -13.820 4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.941 -12.442 5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.472 -12.932 3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.334 -12.281 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.672 -10.588 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.602 -10.136 4.451 1.00 0.00 H new ATOM 702 N THR A 45 9.817 -9.197 -2.663 1.00 0.00 N ATOM 703 CA THR A 45 9.926 -9.190 -1.214 1.00 0.00 C ATOM 704 C THR A 45 9.504 -7.803 -0.716 1.00 0.00 C ATOM 705 O THR A 45 9.430 -6.868 -1.508 1.00 0.00 O ATOM 706 CB THR A 45 11.377 -9.523 -0.841 1.00 0.00 C ATOM 707 OG1 THR A 45 12.249 -8.773 -1.664 1.00 0.00 O ATOM 708 CG2 THR A 45 11.660 -11.012 -1.061 1.00 0.00 C ATOM 0 HA THR A 45 9.279 -9.933 -0.747 1.00 0.00 H new ATOM 0 HB THR A 45 11.533 -9.279 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.880 -8.721 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.693 -11.230 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.990 -11.605 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.498 -11.262 -2.110 1.00 0.00 H new ATOM 716 N LEU A 46 9.225 -7.653 0.583 1.00 0.00 N ATOM 717 CA LEU A 46 8.770 -6.399 1.184 1.00 0.00 C ATOM 718 C LEU A 46 9.548 -5.196 0.656 1.00 0.00 C ATOM 719 O LEU A 46 8.957 -4.212 0.229 1.00 0.00 O ATOM 720 CB LEU A 46 8.895 -6.471 2.716 1.00 0.00 C ATOM 721 CG LEU A 46 8.510 -5.157 3.429 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.021 -4.829 3.259 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.866 -5.253 4.917 1.00 0.00 C ATOM 0 H LEU A 46 9.311 -8.414 1.256 1.00 0.00 H new ATOM 0 HA LEU A 46 7.724 -6.265 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.260 -7.276 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.921 -6.729 2.977 1.00 0.00 H new ATOM 0 HG LEU A 46 9.076 -4.347 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.792 -3.897 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.791 -4.722 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.420 -5.635 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.593 -4.324 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.321 -6.082 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.937 -5.422 5.025 1.00 0.00 H new ATOM 735 N ASP A 47 10.876 -5.288 0.704 1.00 0.00 N ATOM 736 CA ASP A 47 11.789 -4.245 0.301 1.00 0.00 C ATOM 737 C ASP A 47 11.602 -3.932 -1.174 1.00 0.00 C ATOM 738 O ASP A 47 11.234 -2.818 -1.505 1.00 0.00 O ATOM 739 CB ASP A 47 13.231 -4.649 0.634 1.00 0.00 C ATOM 740 CG ASP A 47 14.225 -3.545 0.288 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.896 -2.372 0.568 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.308 -3.902 -0.224 1.00 0.00 O ATOM 0 H ASP A 47 11.353 -6.125 1.038 1.00 0.00 H new ATOM 0 HA ASP A 47 11.573 -3.332 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.306 -4.885 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.490 -5.555 0.087 1.00 0.00 H new ATOM 747 N GLU A 48 11.830 -4.904 -2.057 1.00 0.00 N ATOM 748 CA GLU A 48 11.683 -4.718 -3.496 1.00 0.00 C ATOM 749 C GLU A 48 10.305 -4.142 -3.837 1.00 0.00 C ATOM 750 O GLU A 48 10.179 -3.214 -4.630 1.00 0.00 O ATOM 751 CB GLU A 48 11.900 -6.062 -4.208 1.00 0.00 C ATOM 752 CG GLU A 48 13.315 -6.625 -4.003 1.00 0.00 C ATOM 753 CD GLU A 48 14.408 -5.706 -4.542 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.243 -5.237 -5.688 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.393 -5.501 -3.799 1.00 0.00 O ATOM 0 H GLU A 48 12.123 -5.844 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 48 12.432 -4.004 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.170 -6.784 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.715 -5.936 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.482 -6.794 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.389 -7.595 -4.495 1.00 0.00 H new ATOM 762 N LEU A 49 9.264 -4.705 -3.229 1.00 0.00 N ATOM 763 CA LEU A 49 7.883 -4.313 -3.426 1.00 0.00 C ATOM 764 C LEU A 49 7.674 -2.856 -3.025 1.00 0.00 C ATOM 765 O LEU A 49 7.307 -2.030 -3.858 1.00 0.00 O ATOM 766 CB LEU A 49 6.982 -5.284 -2.646 1.00 0.00 C ATOM 767 CG LEU A 49 5.506 -4.883 -2.632 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.927 -4.762 -4.047 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.703 -5.922 -1.843 1.00 0.00 C ATOM 0 H LEU A 49 9.369 -5.472 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 49 7.615 -4.375 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.074 -6.279 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.340 -5.351 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 49 5.434 -3.904 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.877 -4.475 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.479 -4.004 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.013 -5.721 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.651 -5.637 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.810 -6.899 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.076 -5.970 -0.820 1.00 0.00 H new ATOM 781 N PHE A 50 7.915 -2.530 -1.756 1.00 0.00 N ATOM 782 CA PHE A 50 7.787 -1.186 -1.240 1.00 0.00 C ATOM 783 C PHE A 50 8.676 -0.258 -2.058 1.00 0.00 C ATOM 784 O PHE A 50 8.292 0.876 -2.292 1.00 0.00 O ATOM 785 CB PHE A 50 8.207 -1.184 0.233 1.00 0.00 C ATOM 786 CG PHE A 50 8.611 0.179 0.729 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.633 1.123 1.074 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.950 0.573 0.586 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.016 2.438 1.382 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.329 1.902 0.844 1.00 0.00 C ATOM 791 CZ PHE A 50 9.362 2.828 1.278 1.00 0.00 C ATOM 0 H PHE A 50 8.209 -3.209 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 50 6.757 -0.838 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.382 -1.556 0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.039 -1.875 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.591 0.840 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.693 -0.148 0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.272 3.154 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.355 2.210 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.654 3.837 1.531 1.00 0.00 H new ATOM 801 N GLU A 51 9.853 -0.710 -2.492 1.00 0.00 N ATOM 802 CA GLU A 51 10.733 0.149 -3.280 1.00 0.00 C ATOM 803 C GLU A 51 10.117 0.446 -4.642 1.00 0.00 C ATOM 804 O GLU A 51 10.144 1.592 -5.081 1.00 0.00 O ATOM 805 CB GLU A 51 12.130 -0.463 -3.438 1.00 0.00 C ATOM 806 CG GLU A 51 12.975 -0.324 -2.165 1.00 0.00 C ATOM 807 CD GLU A 51 14.291 -1.087 -2.286 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.224 -2.286 -2.637 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.340 -0.455 -2.035 1.00 0.00 O ATOM 0 H GLU A 51 10.213 -1.648 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 51 10.846 1.088 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.035 -1.518 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.645 0.022 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.179 0.730 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.412 -0.699 -1.310 1.00 0.00 H new ATOM 816 N GLU A 52 9.550 -0.563 -5.309 1.00 0.00 N ATOM 817 CA GLU A 52 8.899 -0.348 -6.592 1.00 0.00 C ATOM 818 C GLU A 52 7.778 0.655 -6.361 1.00 0.00 C ATOM 819 O GLU A 52 7.577 1.592 -7.123 1.00 0.00 O ATOM 820 CB GLU A 52 8.340 -1.680 -7.122 1.00 0.00 C ATOM 821 CG GLU A 52 7.299 -1.492 -8.242 1.00 0.00 C ATOM 822 CD GLU A 52 7.842 -0.726 -9.448 1.00 0.00 C ATOM 823 OE1 GLU A 52 9.024 -0.952 -9.787 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.057 0.062 -10.019 1.00 0.00 O ATOM 0 H GLU A 52 9.531 -1.528 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 52 9.601 0.033 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.162 -2.290 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.885 -2.230 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.947 -2.470 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.436 -0.961 -7.841 1.00 0.00 H new ATOM 831 N LEU A 53 7.035 0.425 -5.287 1.00 0.00 N ATOM 832 CA LEU A 53 5.915 1.244 -4.897 1.00 0.00 C ATOM 833 C LEU A 53 6.321 2.681 -4.560 1.00 0.00 C ATOM 834 O LEU A 53 5.658 3.613 -5.003 1.00 0.00 O ATOM 835 CB LEU A 53 5.219 0.542 -3.727 1.00 0.00 C ATOM 836 CG LEU A 53 4.217 -0.495 -4.245 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.895 -1.470 -3.115 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.930 0.170 -4.743 1.00 0.00 C ATOM 0 H LEU A 53 7.205 -0.356 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 53 5.225 1.347 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.961 0.055 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.704 1.277 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 53 4.662 -1.024 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.182 -2.215 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.809 -1.968 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.463 -0.925 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.241 -0.594 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.465 0.721 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.166 0.857 -5.555 1.00 0.00 H new ATOM 850 N ASP A 54 7.388 2.905 -3.789 1.00 0.00 N ATOM 851 CA ASP A 54 7.794 4.242 -3.387 1.00 0.00 C ATOM 852 C ASP A 54 8.571 4.891 -4.532 1.00 0.00 C ATOM 853 O ASP A 54 9.747 5.211 -4.385 1.00 0.00 O ATOM 854 CB ASP A 54 8.585 4.208 -2.060 1.00 0.00 C ATOM 855 CG ASP A 54 8.870 5.615 -1.511 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.372 6.590 -2.115 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.602 5.715 -0.500 1.00 0.00 O ATOM 0 H ASP A 54 7.989 2.163 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 54 6.915 4.855 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.023 3.639 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.528 3.684 -2.216 1.00 0.00 H new ATOM 862 N LYS A 55 7.903 5.109 -5.668 1.00 0.00 N ATOM 863 CA LYS A 55 8.500 5.733 -6.847 1.00 0.00 C ATOM 864 C LYS A 55 9.041 7.115 -6.481 1.00 0.00 C ATOM 865 O LYS A 55 10.037 7.567 -7.039 1.00 0.00 O ATOM 866 CB LYS A 55 7.474 5.850 -7.986 1.00 0.00 C ATOM 867 CG LYS A 55 6.981 4.499 -8.526 1.00 0.00 C ATOM 868 CD LYS A 55 8.074 3.637 -9.177 1.00 0.00 C ATOM 869 CE LYS A 55 8.762 4.314 -10.366 1.00 0.00 C ATOM 870 NZ LYS A 55 9.672 3.379 -11.049 1.00 0.00 N ATOM 0 H LYS A 55 6.923 4.854 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 55 9.320 5.104 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.617 6.422 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.919 6.416 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.532 3.937 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.194 4.680 -9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.825 3.389 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.634 2.697 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.011 4.675 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.320 5.184 -10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.126 3.860 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.401 3.054 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.132 2.561 -11.397 1.00 0.00 H new ATOM 884 N ASN A 56 8.383 7.782 -5.531 1.00 0.00 N ATOM 885 CA ASN A 56 8.789 9.096 -5.060 1.00 0.00 C ATOM 886 C ASN A 56 10.082 9.015 -4.236 1.00 0.00 C ATOM 887 O ASN A 56 10.790 10.009 -4.128 1.00 0.00 O ATOM 888 CB ASN A 56 7.649 9.702 -4.239 1.00 0.00 C ATOM 889 CG ASN A 56 7.911 11.166 -3.902 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.234 11.973 -4.761 1.00 0.00 O ATOM 891 ND2 ASN A 56 7.760 11.548 -2.645 1.00 0.00 N ATOM 0 H ASN A 56 7.550 7.419 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 56 8.997 9.737 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.716 9.618 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.523 9.134 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.913 12.523 -2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.490 10.868 -1.934 1.00 0.00 H new ATOM 898 N GLY A 57 10.401 7.847 -3.661 1.00 0.00 N ATOM 899 CA GLY A 57 11.607 7.617 -2.881 1.00 0.00 C ATOM 900 C GLY A 57 11.703 8.609 -1.731 1.00 0.00 C ATOM 901 O GLY A 57 12.619 9.426 -1.700 1.00 0.00 O ATOM 0 H GLY A 57 9.807 7.021 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.605 6.599 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.484 7.710 -3.522 1.00 0.00 H new ATOM 905 N ASP A 58 10.760 8.536 -0.784 1.00 0.00 N ATOM 906 CA ASP A 58 10.716 9.470 0.341 1.00 0.00 C ATOM 907 C ASP A 58 10.762 8.767 1.689 1.00 0.00 C ATOM 908 O ASP A 58 10.982 9.421 2.703 1.00 0.00 O ATOM 909 CB ASP A 58 9.493 10.392 0.235 1.00 0.00 C ATOM 910 CG ASP A 58 8.158 9.659 0.347 1.00 0.00 C ATOM 911 OD1 ASP A 58 7.864 9.164 1.458 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.447 9.627 -0.680 1.00 0.00 O ATOM 0 H ASP A 58 10.017 7.837 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 58 11.616 10.082 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.549 11.147 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.529 10.919 -0.718 1.00 0.00 H new ATOM 917 N GLY A 59 10.550 7.450 1.710 1.00 0.00 N ATOM 918 CA GLY A 59 10.533 6.679 2.941 1.00 0.00 C ATOM 919 C GLY A 59 9.185 5.989 3.077 1.00 0.00 C ATOM 920 O GLY A 59 9.098 4.935 3.709 1.00 0.00 O ATOM 0 H GLY A 59 10.386 6.894 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.334 5.940 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.709 7.332 3.796 1.00 0.00 H new ATOM 924 N GLU A 60 8.128 6.564 2.490 1.00 0.00 N ATOM 925 CA GLU A 60 6.813 5.982 2.503 1.00 0.00 C ATOM 926 C GLU A 60 6.178 6.025 1.105 1.00 0.00 C ATOM 927 O GLU A 60 6.512 6.883 0.298 1.00 0.00 O ATOM 928 CB GLU A 60 5.968 6.820 3.452 1.00 0.00 C ATOM 929 CG GLU A 60 6.507 7.068 4.859 1.00 0.00 C ATOM 930 CD GLU A 60 6.978 8.504 5.070 1.00 0.00 C ATOM 931 OE1 GLU A 60 8.145 8.778 4.717 1.00 0.00 O ATOM 932 OE2 GLU A 60 6.158 9.298 5.585 1.00 0.00 O ATOM 0 H GLU A 60 8.179 7.453 1.993 1.00 0.00 H new ATOM 0 HA GLU A 60 6.870 4.940 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.800 7.789 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.995 6.339 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.730 6.835 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.336 6.387 5.050 1.00 0.00 H new ATOM 939 N VAL A 61 5.231 5.123 0.849 1.00 0.00 N ATOM 940 CA VAL A 61 4.420 5.026 -0.362 1.00 0.00 C ATOM 941 C VAL A 61 3.283 6.033 -0.161 1.00 0.00 C ATOM 942 O VAL A 61 3.122 6.537 0.937 1.00 0.00 O ATOM 943 CB VAL A 61 3.874 3.582 -0.496 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.975 3.375 -1.724 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.035 2.597 -0.609 1.00 0.00 C ATOM 0 H VAL A 61 4.996 4.396 1.524 1.00 0.00 H new ATOM 0 HA VAL A 61 4.981 5.243 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 61 3.275 3.409 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.630 2.341 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.116 4.043 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.540 3.594 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.645 1.584 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.633 2.838 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.658 2.665 0.283 1.00 0.00 H new ATOM 955 N SER A 62 2.453 6.334 -1.151 1.00 0.00 N ATOM 956 CA SER A 62 1.306 7.232 -1.010 1.00 0.00 C ATOM 957 C SER A 62 0.185 6.605 -1.834 1.00 0.00 C ATOM 958 O SER A 62 0.476 5.746 -2.667 1.00 0.00 O ATOM 959 CB SER A 62 1.628 8.630 -1.530 1.00 0.00 C ATOM 960 OG SER A 62 1.907 8.559 -2.902 1.00 0.00 O ATOM 0 H SER A 62 2.557 5.956 -2.093 1.00 0.00 H new ATOM 0 HA SER A 62 1.027 7.348 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.787 9.300 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.483 9.042 -0.994 1.00 0.00 H new ATOM 0 HG SER A 62 2.113 9.455 -3.241 1.00 0.00 H new ATOM 966 N PHE A 63 -1.072 7.013 -1.637 1.00 0.00 N ATOM 967 CA PHE A 63 -2.186 6.472 -2.413 1.00 0.00 C ATOM 968 C PHE A 63 -1.858 6.480 -3.909 1.00 0.00 C ATOM 969 O PHE A 63 -2.114 5.502 -4.609 1.00 0.00 O ATOM 970 CB PHE A 63 -3.488 7.202 -2.095 1.00 0.00 C ATOM 971 CG PHE A 63 -4.656 6.765 -2.957 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.868 7.335 -4.229 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.402 5.638 -2.573 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.861 6.809 -5.075 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.496 5.218 -3.353 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.751 5.835 -4.589 1.00 0.00 C ATOM 0 H PHE A 63 -1.341 7.715 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.336 5.432 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.740 7.039 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.334 8.274 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.269 8.173 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.136 5.094 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.940 7.153 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.138 4.423 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.625 5.563 -5.162 1.00 0.00 H new ATOM 986 N GLU A 64 -1.270 7.585 -4.371 1.00 0.00 N ATOM 987 CA GLU A 64 -0.854 7.821 -5.743 1.00 0.00 C ATOM 988 C GLU A 64 -0.196 6.587 -6.365 1.00 0.00 C ATOM 989 O GLU A 64 -0.663 6.032 -7.355 1.00 0.00 O ATOM 990 CB GLU A 64 0.151 8.994 -5.744 1.00 0.00 C ATOM 991 CG GLU A 64 0.342 9.577 -7.150 1.00 0.00 C ATOM 992 CD GLU A 64 -0.934 10.220 -7.688 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.446 11.125 -6.995 1.00 0.00 O ATOM 994 OE2 GLU A 64 -1.378 9.785 -8.771 1.00 0.00 O ATOM 0 H GLU A 64 -1.063 8.377 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.736 8.053 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.201 9.776 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.111 8.651 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.139 10.320 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.662 8.786 -7.829 1.00 0.00 H new ATOM 1001 N GLU A 65 0.914 6.175 -5.760 1.00 0.00 N ATOM 1002 CA GLU A 65 1.738 5.070 -6.221 1.00 0.00 C ATOM 1003 C GLU A 65 1.085 3.760 -5.795 1.00 0.00 C ATOM 1004 O GLU A 65 1.191 2.752 -6.489 1.00 0.00 O ATOM 1005 CB GLU A 65 3.183 5.176 -5.692 1.00 0.00 C ATOM 1006 CG GLU A 65 3.408 6.387 -4.780 1.00 0.00 C ATOM 1007 CD GLU A 65 4.852 6.656 -4.375 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.701 6.784 -5.280 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.063 6.798 -3.152 1.00 0.00 O ATOM 0 H GLU A 65 1.272 6.615 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 65 1.806 5.105 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.429 4.267 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.869 5.234 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.021 7.273 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.816 6.251 -3.875 1.00 0.00 H new ATOM 1016 N PHE A 66 0.397 3.776 -4.649 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.301 2.606 -4.131 1.00 0.00 C ATOM 1018 C PHE A 66 -1.254 2.019 -5.179 1.00 0.00 C ATOM 1019 O PHE A 66 -1.545 0.829 -5.138 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.027 2.941 -2.829 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.728 1.777 -2.168 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -0.999 0.842 -1.412 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.119 1.629 -2.314 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.667 -0.212 -0.765 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.775 0.547 -1.704 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.062 -0.336 -0.879 1.00 0.00 C ATOM 0 H PHE A 66 0.311 4.603 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 66 0.440 1.839 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.306 3.357 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.762 3.720 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.074 0.934 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.682 2.346 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.108 -0.927 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.831 0.394 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.584 -1.108 -0.333 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.735 2.812 -6.141 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.581 2.270 -7.199 1.00 0.00 C ATOM 1038 C GLN A 67 -1.887 1.114 -7.941 1.00 0.00 C ATOM 1039 O GLN A 67 -2.551 0.209 -8.443 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.169 3.372 -8.099 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.820 4.502 -7.296 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.780 3.938 -6.261 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.892 3.529 -6.570 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.364 3.896 -5.009 1.00 0.00 N ATOM 0 H GLN A 67 -1.555 3.814 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.458 1.816 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.378 3.785 -8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.909 2.933 -8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.050 5.094 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.355 5.172 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.435 4.241 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.972 3.519 -4.282 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.551 1.096 -7.976 1.00 0.00 N ATOM 1054 CA VAL A 68 0.193 -0.011 -8.560 1.00 0.00 C ATOM 1055 C VAL A 68 -0.067 -1.265 -7.715 1.00 0.00 C ATOM 1056 O VAL A 68 -0.241 -2.357 -8.254 1.00 0.00 O ATOM 1057 CB VAL A 68 1.691 0.334 -8.661 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.498 -0.838 -9.232 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.906 1.560 -9.559 1.00 0.00 C ATOM 0 H VAL A 68 0.035 1.843 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.143 -0.203 -9.579 1.00 0.00 H new ATOM 0 HB VAL A 68 2.038 0.549 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.551 -0.561 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.387 -1.707 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.131 -1.081 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.971 1.787 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.525 1.350 -10.558 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.375 2.415 -9.140 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.128 -1.112 -6.388 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.429 -2.212 -5.487 1.00 0.00 C ATOM 1071 C LEU A 69 -1.857 -2.643 -5.801 1.00 0.00 C ATOM 1072 O LEU A 69 -2.079 -3.821 -6.066 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.222 -1.813 -4.011 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.474 -2.911 -2.962 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.965 -3.164 -2.712 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.252 -4.217 -3.298 1.00 0.00 C ATOM 0 H LEU A 69 0.031 -0.222 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 69 0.252 -3.050 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.802 -1.457 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.879 -0.972 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.052 -2.528 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.081 -3.948 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.434 -2.248 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.442 -3.476 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.042 -4.959 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.094 -4.588 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.326 -4.035 -3.343 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.809 -1.697 -5.795 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.217 -1.962 -6.111 1.00 0.00 C ATOM 1090 C VAL A 70 -4.324 -2.804 -7.385 1.00 0.00 C ATOM 1091 O VAL A 70 -5.094 -3.759 -7.451 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.024 -0.657 -6.249 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.468 -0.941 -6.686 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.034 0.122 -4.930 1.00 0.00 C ATOM 0 H VAL A 70 -2.620 -0.721 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.647 -2.523 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.537 -0.054 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.013 -0.001 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.463 -1.450 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.955 -1.574 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.610 1.039 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.488 -0.489 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.011 0.371 -4.647 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.549 -2.456 -8.410 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.547 -3.224 -9.636 1.00 0.00 C ATOM 1106 C LYS A 71 -2.973 -4.624 -9.381 1.00 0.00 C ATOM 1107 O LYS A 71 -3.629 -5.624 -9.671 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.773 -2.461 -10.723 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.709 -3.195 -12.072 1.00 0.00 C ATOM 1110 CD LYS A 71 -4.105 -3.478 -12.648 1.00 0.00 C ATOM 1111 CE LYS A 71 -4.028 -4.010 -14.084 1.00 0.00 C ATOM 1112 NZ LYS A 71 -3.336 -5.310 -14.151 1.00 0.00 N ATOM 0 H LYS A 71 -2.921 -1.652 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.568 -3.358 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.240 -1.487 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.758 -2.278 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.140 -2.596 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.173 -4.136 -11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.618 -4.204 -12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.699 -2.564 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.035 -4.113 -14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.506 -3.288 -14.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.334 -5.652 -15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.356 -5.199 -13.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.829 -5.997 -13.546 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.748 -4.722 -8.854 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.080 -5.986 -8.687 1.00 0.00 C ATOM 1128 C LYS A 72 -1.733 -6.958 -7.724 1.00 0.00 C ATOM 1129 O LYS A 72 -1.578 -8.150 -7.912 1.00 0.00 O ATOM 1130 CB LYS A 72 0.405 -5.778 -8.435 1.00 0.00 C ATOM 1131 CG LYS A 72 0.841 -5.732 -6.963 1.00 0.00 C ATOM 1132 CD LYS A 72 1.339 -7.108 -6.489 1.00 0.00 C ATOM 1133 CE LYS A 72 1.588 -7.125 -4.977 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.154 -8.417 -4.551 1.00 0.00 N ATOM 0 H LYS A 72 -1.205 -3.919 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.194 -6.505 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.953 -6.580 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.706 -4.845 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.632 -4.993 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.004 -5.411 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.604 -7.871 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.260 -7.363 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.270 -6.318 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.653 -6.941 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.314 -8.404 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.491 -9.182 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.058 -8.578 -5.040 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.479 -6.526 -6.713 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.159 -7.506 -5.858 1.00 0.00 C ATOM 1150 C ILE A 73 -4.117 -8.342 -6.725 1.00 0.00 C ATOM 1151 O ILE A 73 -4.410 -9.492 -6.404 1.00 0.00 O ATOM 1152 CB ILE A 73 -3.931 -6.831 -4.715 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -4.749 -5.656 -5.249 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -2.984 -6.392 -3.591 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -5.957 -5.325 -4.393 1.00 0.00 C ATOM 0 H ILE A 73 -2.628 -5.547 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.406 -8.148 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.622 -7.558 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.108 -4.777 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.082 -5.885 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.559 -5.917 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.464 -7.263 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.256 -5.683 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.492 -4.482 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.618 -6.190 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.629 -5.065 -3.386 1.00 0.00 H new ATOM 1167 N SER A 74 -4.573 -7.763 -7.843 1.00 0.00 N ATOM 1168 CA SER A 74 -5.443 -8.378 -8.826 1.00 0.00 C ATOM 1169 C SER A 74 -4.609 -8.978 -9.968 1.00 0.00 C ATOM 1170 O SER A 74 -5.139 -9.229 -11.047 1.00 0.00 O ATOM 1171 CB SER A 74 -6.412 -7.319 -9.370 1.00 0.00 C ATOM 1172 OG SER A 74 -6.939 -6.517 -8.326 1.00 0.00 O ATOM 0 H SER A 74 -4.327 -6.804 -8.089 1.00 0.00 H new ATOM 0 HA SER A 74 -6.012 -9.182 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.895 -6.686 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.228 -7.809 -9.902 1.00 0.00 H new ATOM 0 HG SER A 74 -7.551 -5.851 -8.703 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.306 -9.204 -9.756 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.418 -9.782 -10.761 1.00 0.00 C ATOM 1180 C GLN A 75 -2.964 -11.140 -11.207 1.00 0.00 C ATOM 1181 O GLN A 75 -3.392 -11.929 -10.364 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.944 -9.871 -10.286 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.591 -11.007 -9.296 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.224 -10.890 -7.908 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -0.548 -10.595 -6.930 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.520 -11.134 -7.793 1.00 0.00 N ATOM 0 H GLN A 75 -2.840 -8.988 -8.875 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.400 -9.111 -11.620 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.311 -9.980 -11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.681 -8.922 -9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.895 -11.957 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.492 -11.041 -9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.068 -11.378 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.970 -11.078 -6.880 1.00 0.00 H new