USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HD1:sc= 1.07 K(o=1.7,f=-4.2!) USER MOD Set 1.2: A 34 GLN : amide:sc= -0.536 X(o=1.7,f=1.6) USER MOD Set 1.3: A 49 SER OG : rot -74:sc= 1.2 USER MOD Single : A 1 MET CE :methyl -179:sc= -4.3! (180deg=-4.32!) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0299) USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= 0.458 (180deg=-0.573!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -127:sc= 0.236 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0.973) USER MOD Single : A 26 THR OG1 : rot -87:sc= 1.06 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00733 USER MOD Single : A 32 MET CE :methyl -160:sc= -1.5 (180deg=-2.73!) USER MOD Single : A 37 CYS SG : rot 180:sc=-0.000527 USER MOD Single : A 47 GLN : amide:sc= -1.68 K(o=-1.7,f=-3!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.012 10.448 13.088 1.00 0.00 N ATOM 2 CA MET A 1 -6.261 10.078 12.381 1.00 0.00 C ATOM 3 C MET A 1 -6.258 8.589 12.058 1.00 0.00 C ATOM 4 O MET A 1 -6.907 7.797 12.743 1.00 0.00 O ATOM 5 CB MET A 1 -6.418 10.894 11.093 1.00 0.00 C ATOM 6 CG MET A 1 -6.477 12.394 11.321 1.00 0.00 C ATOM 7 SD MET A 1 -6.956 13.311 9.845 1.00 0.00 S ATOM 8 CE MET A 1 -5.697 12.792 8.686 1.00 0.00 C ATOM 0 H1 MET A 1 -5.074 11.435 13.408 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.881 9.825 13.910 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.204 10.344 12.442 1.00 0.00 H new ATOM 0 HA MET A 1 -7.104 10.300 13.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.584 10.670 10.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.327 10.578 10.582 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.186 12.607 12.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.501 12.743 11.659 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.853 13.293 7.731 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.713 13.053 9.076 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.756 11.713 8.544 1.00 0.00 H new ATOM 18 N GLY A 2 -5.527 8.212 11.018 1.00 0.00 N ATOM 19 CA GLY A 2 -5.355 6.813 10.700 1.00 0.00 C ATOM 20 C GLY A 2 -4.034 6.575 10.010 1.00 0.00 C ATOM 21 O GLY A 2 -3.078 7.312 10.247 1.00 0.00 O ATOM 0 H GLY A 2 -5.049 8.855 10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.405 6.220 11.613 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.170 6.479 10.058 1.00 0.00 H new ATOM 25 N LEU A 3 -3.974 5.556 9.162 1.00 0.00 N ATOM 26 CA LEU A 3 -2.786 5.310 8.357 1.00 0.00 C ATOM 27 C LEU A 3 -2.509 6.506 7.456 1.00 0.00 C ATOM 28 O LEU A 3 -3.274 6.794 6.532 1.00 0.00 O ATOM 29 CB LEU A 3 -2.944 4.043 7.513 1.00 0.00 C ATOM 30 CG LEU A 3 -3.034 2.735 8.302 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.166 1.553 7.356 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.815 2.564 9.197 1.00 0.00 C ATOM 0 H LEU A 3 -4.732 4.889 9.015 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.943 5.165 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.842 4.142 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.100 3.976 6.827 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.921 2.776 8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.229 0.630 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.068 1.667 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.296 1.513 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.898 1.628 9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.914 2.545 8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.759 3.396 9.899 1.00 0.00 H new ATOM 43 N LYS A 4 -1.432 7.213 7.757 1.00 0.00 N ATOM 44 CA LYS A 4 -1.045 8.393 7.006 1.00 0.00 C ATOM 45 C LYS A 4 -0.106 8.001 5.877 1.00 0.00 C ATOM 46 O LYS A 4 0.592 6.991 5.964 1.00 0.00 O ATOM 47 CB LYS A 4 -0.361 9.393 7.935 1.00 0.00 C ATOM 48 CG LYS A 4 -1.227 9.797 9.115 1.00 0.00 C ATOM 49 CD LYS A 4 -2.508 10.478 8.663 1.00 0.00 C ATOM 50 CE LYS A 4 -2.342 11.988 8.538 1.00 0.00 C ATOM 51 NZ LYS A 4 -1.365 12.371 7.488 1.00 0.00 N ATOM 0 H LYS A 4 -0.804 6.985 8.527 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.935 8.856 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.568 8.960 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.093 10.284 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.473 8.914 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.667 10.469 9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.817 10.067 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.305 10.259 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.308 12.438 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.018 12.395 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.591 13.322 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.406 12.370 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.413 11.689 6.704 1.00 0.00 H new ATOM 61 N TRP A 5 -0.094 8.811 4.824 1.00 0.00 N ATOM 62 CA TRP A 5 0.717 8.529 3.641 1.00 0.00 C ATOM 63 C TRP A 5 2.211 8.554 3.954 1.00 0.00 C ATOM 64 O TRP A 5 3.013 7.991 3.211 1.00 0.00 O ATOM 65 CB TRP A 5 0.399 9.521 2.521 1.00 0.00 C ATOM 66 CG TRP A 5 -0.990 9.383 1.979 1.00 0.00 C ATOM 67 CD1 TRP A 5 -1.928 10.367 1.858 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.604 8.182 1.497 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.080 9.852 1.317 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.906 8.514 1.091 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.175 6.857 1.364 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.784 7.573 0.565 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -2.050 5.924 0.842 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.340 6.286 0.447 1.00 0.00 C ATOM 0 H TRP A 5 -0.638 9.672 4.764 1.00 0.00 H new ATOM 0 HA TRP A 5 0.464 7.522 3.310 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.536 10.536 2.895 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.113 9.382 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.785 11.398 2.145 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.928 10.381 1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.178 6.569 1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.782 7.850 0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.731 4.897 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.000 5.534 0.040 1.00 0.00 H new ATOM 84 N THR A 6 2.578 9.210 5.046 1.00 0.00 N ATOM 85 CA THR A 6 3.963 9.240 5.486 1.00 0.00 C ATOM 86 C THR A 6 4.338 7.936 6.177 1.00 0.00 C ATOM 87 O THR A 6 5.505 7.542 6.204 1.00 0.00 O ATOM 88 CB THR A 6 4.215 10.422 6.433 1.00 0.00 C ATOM 89 OG1 THR A 6 3.100 10.577 7.324 1.00 0.00 O ATOM 90 CG2 THR A 6 4.432 11.701 5.646 1.00 0.00 C ATOM 0 H THR A 6 1.934 9.729 5.643 1.00 0.00 H new ATOM 0 HA THR A 6 4.588 9.363 4.601 1.00 0.00 H new ATOM 0 HB THR A 6 5.115 10.218 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.266 11.331 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.609 12.527 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.296 11.583 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.548 11.913 5.045 1.00 0.00 H new ATOM 98 N ASP A 7 3.337 7.252 6.709 1.00 0.00 N ATOM 99 CA ASP A 7 3.547 5.977 7.379 1.00 0.00 C ATOM 100 C ASP A 7 3.507 4.844 6.365 1.00 0.00 C ATOM 101 O ASP A 7 2.851 3.824 6.578 1.00 0.00 O ATOM 102 CB ASP A 7 2.489 5.752 8.464 1.00 0.00 C ATOM 103 CG ASP A 7 2.673 6.674 9.653 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.156 7.812 9.617 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.343 6.266 10.624 1.00 0.00 O ATOM 0 H ASP A 7 2.365 7.561 6.690 1.00 0.00 H new ATOM 0 HA ASP A 7 4.527 5.995 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.498 5.907 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.533 4.716 8.801 1.00 0.00 H new ATOM 109 N SER A 8 4.229 5.036 5.269 1.00 0.00 N ATOM 110 CA SER A 8 4.258 4.084 4.163 1.00 0.00 C ATOM 111 C SER A 8 4.611 2.671 4.627 1.00 0.00 C ATOM 112 O SER A 8 4.044 1.695 4.143 1.00 0.00 O ATOM 113 CB SER A 8 5.261 4.561 3.116 1.00 0.00 C ATOM 114 OG SER A 8 6.508 4.868 3.716 1.00 0.00 O ATOM 0 H SER A 8 4.813 5.859 5.120 1.00 0.00 H new ATOM 0 HA SER A 8 3.258 4.038 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.397 3.789 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.871 5.442 2.607 1.00 0.00 H new ATOM 0 HG SER A 8 7.137 5.170 3.028 1.00 0.00 H new ATOM 119 N ARG A 9 5.532 2.570 5.579 1.00 0.00 N ATOM 120 CA ARG A 9 5.964 1.273 6.090 1.00 0.00 C ATOM 121 C ARG A 9 4.828 0.586 6.835 1.00 0.00 C ATOM 122 O ARG A 9 4.536 -0.584 6.597 1.00 0.00 O ATOM 123 CB ARG A 9 7.162 1.423 7.027 1.00 0.00 C ATOM 124 CG ARG A 9 7.635 0.095 7.592 1.00 0.00 C ATOM 125 CD ARG A 9 8.550 0.285 8.782 1.00 0.00 C ATOM 126 NE ARG A 9 8.907 -0.994 9.388 1.00 0.00 N ATOM 127 CZ ARG A 9 8.266 -1.525 10.432 1.00 0.00 C ATOM 128 NH1 ARG A 9 7.219 -0.905 10.962 1.00 0.00 N ATOM 129 NH2 ARG A 9 8.655 -2.692 10.927 1.00 0.00 N ATOM 0 H ARG A 9 5.994 3.369 6.013 1.00 0.00 H new ATOM 0 HA ARG A 9 6.258 0.664 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.982 1.897 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.895 2.088 7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.772 -0.502 7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.158 -0.464 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.455 0.806 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.060 0.916 9.523 1.00 0.00 H new ATOM 0 HE ARG A 9 9.691 -1.512 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.900 -0.018 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.733 -1.315 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.445 -3.185 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.165 -3.097 11.725 1.00 0.00 H new ATOM 140 N GLU A 10 4.186 1.334 7.725 1.00 0.00 N ATOM 141 CA GLU A 10 3.089 0.807 8.527 1.00 0.00 C ATOM 142 C GLU A 10 1.957 0.346 7.619 1.00 0.00 C ATOM 143 O GLU A 10 1.249 -0.615 7.920 1.00 0.00 O ATOM 144 CB GLU A 10 2.575 1.874 9.497 1.00 0.00 C ATOM 145 CG GLU A 10 3.673 2.578 10.284 1.00 0.00 C ATOM 146 CD GLU A 10 4.499 1.637 11.141 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.008 1.209 12.207 1.00 0.00 O ATOM 148 OE2 GLU A 10 5.661 1.352 10.768 1.00 0.00 O ATOM 0 H GLU A 10 4.408 2.312 7.910 1.00 0.00 H new ATOM 0 HA GLU A 10 3.456 -0.042 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.010 2.618 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.881 1.409 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.332 3.097 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.222 3.337 10.923 1.00 0.00 H new ATOM 153 N ILE A 11 1.805 1.041 6.498 1.00 0.00 N ATOM 154 CA ILE A 11 0.805 0.687 5.502 1.00 0.00 C ATOM 155 C ILE A 11 1.247 -0.546 4.716 1.00 0.00 C ATOM 156 O ILE A 11 0.445 -1.437 4.433 1.00 0.00 O ATOM 157 CB ILE A 11 0.546 1.854 4.528 1.00 0.00 C ATOM 158 CG1 ILE A 11 -0.011 3.066 5.280 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.407 1.425 3.424 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.244 4.276 4.400 1.00 0.00 C ATOM 0 H ILE A 11 2.366 1.858 6.257 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.122 0.466 6.031 1.00 0.00 H new ATOM 0 HB ILE A 11 1.494 2.139 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.952 2.787 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.681 3.336 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.578 2.261 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.028 0.593 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.355 1.113 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.639 5.094 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.698 4.582 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.959 4.024 3.617 1.00 0.00 H new ATOM 171 N GLY A 12 2.534 -0.592 4.383 1.00 0.00 N ATOM 172 CA GLY A 12 3.092 -1.731 3.677 1.00 0.00 C ATOM 173 C GLY A 12 2.887 -3.026 4.430 1.00 0.00 C ATOM 174 O GLY A 12 2.623 -4.069 3.828 1.00 0.00 O ATOM 0 H GLY A 12 3.205 0.147 4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.630 -1.808 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.158 -1.570 3.517 1.00 0.00 H new ATOM 178 N GLU A 13 3.002 -2.957 5.753 1.00 0.00 N ATOM 179 CA GLU A 13 2.747 -4.109 6.606 1.00 0.00 C ATOM 180 C GLU A 13 1.327 -4.620 6.400 1.00 0.00 C ATOM 181 O GLU A 13 1.106 -5.822 6.290 1.00 0.00 O ATOM 182 CB GLU A 13 2.952 -3.753 8.077 1.00 0.00 C ATOM 183 CG GLU A 13 4.368 -3.321 8.421 1.00 0.00 C ATOM 184 CD GLU A 13 4.546 -3.075 9.902 1.00 0.00 C ATOM 185 OE1 GLU A 13 4.219 -1.966 10.368 1.00 0.00 O ATOM 186 OE2 GLU A 13 4.988 -4.003 10.612 1.00 0.00 O ATOM 0 H GLU A 13 3.271 -2.112 6.257 1.00 0.00 H new ATOM 0 HA GLU A 13 3.454 -4.891 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.264 -2.951 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.689 -4.616 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.070 -4.089 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.612 -2.412 7.871 1.00 0.00 H new ATOM 191 N ALA A 14 0.373 -3.695 6.337 1.00 0.00 N ATOM 192 CA ALA A 14 -1.030 -4.045 6.129 1.00 0.00 C ATOM 193 C ALA A 14 -1.223 -4.747 4.793 1.00 0.00 C ATOM 194 O ALA A 14 -1.933 -5.746 4.695 1.00 0.00 O ATOM 195 CB ALA A 14 -1.906 -2.801 6.188 1.00 0.00 C ATOM 0 H ALA A 14 0.546 -2.694 6.427 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.326 -4.726 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.947 -3.082 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.801 -2.328 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.598 -2.102 5.411 1.00 0.00 H new ATOM 201 N LEU A 15 -0.575 -4.214 3.766 1.00 0.00 N ATOM 202 CA LEU A 15 -0.685 -4.759 2.422 1.00 0.00 C ATOM 203 C LEU A 15 -0.099 -6.164 2.361 1.00 0.00 C ATOM 204 O LEU A 15 -0.687 -7.069 1.769 1.00 0.00 O ATOM 205 CB LEU A 15 0.028 -3.850 1.420 1.00 0.00 C ATOM 206 CG LEU A 15 -0.442 -2.394 1.403 1.00 0.00 C ATOM 207 CD1 LEU A 15 0.224 -1.650 0.264 1.00 0.00 C ATOM 208 CD2 LEU A 15 -1.960 -2.316 1.296 1.00 0.00 C ATOM 0 H LEU A 15 0.035 -3.400 3.840 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.742 -4.813 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.096 -3.866 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.101 -4.267 0.421 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.153 -1.921 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.115 -0.614 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.306 -1.677 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.038 -2.123 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.271 -1.271 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.285 -2.800 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.411 -2.820 2.150 1.00 0.00 H new ATOM 219 N TYR A 16 1.053 -6.342 2.992 1.00 0.00 N ATOM 220 CA TYR A 16 1.714 -7.639 3.039 1.00 0.00 C ATOM 221 C TYR A 16 0.940 -8.616 3.922 1.00 0.00 C ATOM 222 O TYR A 16 0.946 -9.822 3.685 1.00 0.00 O ATOM 223 CB TYR A 16 3.151 -7.476 3.548 1.00 0.00 C ATOM 224 CG TYR A 16 3.842 -8.783 3.865 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.172 -9.682 2.860 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.159 -9.118 5.176 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.799 -10.879 3.152 1.00 0.00 C ATOM 228 CE2 TYR A 16 4.786 -10.312 5.475 1.00 0.00 C ATOM 229 CZ TYR A 16 5.105 -11.188 4.460 1.00 0.00 C ATOM 230 OH TYR A 16 5.730 -12.379 4.757 1.00 0.00 O ATOM 0 H TYR A 16 1.552 -5.599 3.482 1.00 0.00 H new ATOM 0 HA TYR A 16 1.741 -8.050 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.733 -6.942 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.140 -6.856 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.935 -9.443 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.911 -8.434 5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.048 -11.569 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.025 -10.558 6.499 1.00 0.00 H new ATOM 0 HH TYR A 16 5.875 -12.440 5.724 1.00 0.00 H new ATOM 239 N ASP A 17 0.271 -8.085 4.935 1.00 0.00 N ATOM 240 CA ASP A 17 -0.501 -8.905 5.861 1.00 0.00 C ATOM 241 C ASP A 17 -1.765 -9.432 5.192 1.00 0.00 C ATOM 242 O ASP A 17 -2.184 -10.565 5.430 1.00 0.00 O ATOM 243 CB ASP A 17 -0.861 -8.089 7.104 1.00 0.00 C ATOM 244 CG ASP A 17 -1.541 -8.910 8.180 1.00 0.00 C ATOM 245 OD1 ASP A 17 -0.915 -9.865 8.689 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.685 -8.579 8.555 1.00 0.00 O ATOM 0 H ASP A 17 0.247 -7.086 5.138 1.00 0.00 H new ATOM 0 HA ASP A 17 0.108 -9.759 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.046 -7.644 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.516 -7.267 6.814 1.00 0.00 H new ATOM 250 N ALA A 18 -2.362 -8.608 4.342 1.00 0.00 N ATOM 251 CA ALA A 18 -3.579 -8.987 3.638 1.00 0.00 C ATOM 252 C ALA A 18 -3.265 -9.764 2.363 1.00 0.00 C ATOM 253 O ALA A 18 -3.964 -10.720 2.019 1.00 0.00 O ATOM 254 CB ALA A 18 -4.407 -7.753 3.315 1.00 0.00 C ATOM 0 H ALA A 18 -2.023 -7.671 4.123 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.156 -9.640 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.314 -8.051 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.675 -7.242 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.826 -7.080 2.684 1.00 0.00 H new ATOM 260 N TYR A 19 -2.213 -9.358 1.660 1.00 0.00 N ATOM 261 CA TYR A 19 -1.849 -9.992 0.395 1.00 0.00 C ATOM 262 C TYR A 19 -0.383 -10.435 0.410 1.00 0.00 C ATOM 263 O TYR A 19 0.468 -9.800 -0.214 1.00 0.00 O ATOM 264 CB TYR A 19 -2.071 -9.025 -0.774 1.00 0.00 C ATOM 265 CG TYR A 19 -3.419 -8.337 -0.774 1.00 0.00 C ATOM 266 CD1 TYR A 19 -4.579 -9.025 -1.106 1.00 0.00 C ATOM 267 CD2 TYR A 19 -3.526 -6.991 -0.446 1.00 0.00 C ATOM 268 CE1 TYR A 19 -5.806 -8.391 -1.111 1.00 0.00 C ATOM 269 CE2 TYR A 19 -4.749 -6.352 -0.447 1.00 0.00 C ATOM 270 CZ TYR A 19 -5.887 -7.055 -0.781 1.00 0.00 C ATOM 271 OH TYR A 19 -7.108 -6.420 -0.787 1.00 0.00 O ATOM 0 H TYR A 19 -1.598 -8.595 1.943 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.485 -10.868 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.290 -8.265 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.958 -9.574 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.521 -10.072 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.637 -6.436 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.699 -8.940 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.814 -5.306 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.053 -5.610 -1.336 1.00 0.00 H new ATOM 280 N PRO A 20 -0.066 -11.531 1.116 1.00 0.00 N ATOM 281 CA PRO A 20 1.305 -12.035 1.220 1.00 0.00 C ATOM 282 C PRO A 20 1.728 -12.834 -0.013 1.00 0.00 C ATOM 283 O PRO A 20 2.877 -12.763 -0.454 1.00 0.00 O ATOM 284 CB PRO A 20 1.266 -12.952 2.455 1.00 0.00 C ATOM 285 CG PRO A 20 -0.126 -12.860 3.005 1.00 0.00 C ATOM 286 CD PRO A 20 -0.997 -12.357 1.890 1.00 0.00 C ATOM 0 HA PRO A 20 2.025 -11.221 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.510 -13.979 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.999 -12.636 3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.469 -13.834 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.161 -12.184 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.408 -13.173 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.841 -11.777 2.263 1.00 0.00 H new ATOM 291 N ASP A 21 0.788 -13.589 -0.565 1.00 0.00 N ATOM 292 CA ASP A 21 1.067 -14.472 -1.696 1.00 0.00 C ATOM 293 C ASP A 21 0.838 -13.758 -3.025 1.00 0.00 C ATOM 294 O ASP A 21 1.038 -14.340 -4.093 1.00 0.00 O ATOM 295 CB ASP A 21 0.176 -15.716 -1.632 1.00 0.00 C ATOM 296 CG ASP A 21 -1.267 -15.420 -1.997 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.971 -14.757 -1.199 1.00 0.00 O ATOM 298 OD2 ASP A 21 -1.705 -15.845 -3.084 1.00 0.00 O ATOM 0 H ASP A 21 -0.181 -13.609 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 21 2.114 -14.767 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.569 -16.475 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.214 -16.134 -0.626 1.00 0.00 H new ATOM 302 N LEU A 22 0.429 -12.500 -2.959 1.00 0.00 N ATOM 303 CA LEU A 22 0.088 -11.745 -4.157 1.00 0.00 C ATOM 304 C LEU A 22 1.329 -11.040 -4.693 1.00 0.00 C ATOM 305 O LEU A 22 2.055 -10.395 -3.938 1.00 0.00 O ATOM 306 CB LEU A 22 -1.029 -10.740 -3.834 1.00 0.00 C ATOM 307 CG LEU A 22 -1.757 -10.122 -5.036 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.135 -9.630 -4.619 1.00 0.00 C ATOM 309 CD2 LEU A 22 -0.956 -8.969 -5.623 1.00 0.00 C ATOM 0 H LEU A 22 0.325 -11.979 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.276 -12.423 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.767 -11.239 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.601 -9.932 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.865 -10.893 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.642 -9.194 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.721 -10.467 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.031 -8.876 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.493 -8.548 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.817 -8.199 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.017 -9.333 -5.953 1.00 0.00 H new ATOM 320 N ASP A 23 1.568 -11.191 -5.994 1.00 0.00 N ATOM 321 CA ASP A 23 2.744 -10.611 -6.643 1.00 0.00 C ATOM 322 C ASP A 23 2.690 -9.088 -6.608 1.00 0.00 C ATOM 323 O ASP A 23 1.849 -8.479 -7.268 1.00 0.00 O ATOM 324 CB ASP A 23 2.841 -11.087 -8.093 1.00 0.00 C ATOM 325 CG ASP A 23 4.060 -10.538 -8.807 1.00 0.00 C ATOM 326 OD1 ASP A 23 5.122 -11.190 -8.760 1.00 0.00 O ATOM 327 OD2 ASP A 23 3.954 -9.468 -9.438 1.00 0.00 O ATOM 0 H ASP A 23 0.959 -11.713 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 23 3.626 -10.942 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.873 -12.176 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.943 -10.785 -8.631 1.00 0.00 H new ATOM 331 N PRO A 24 3.596 -8.457 -5.850 1.00 0.00 N ATOM 332 CA PRO A 24 3.602 -7.005 -5.671 1.00 0.00 C ATOM 333 C PRO A 24 4.096 -6.251 -6.906 1.00 0.00 C ATOM 334 O PRO A 24 3.827 -5.061 -7.058 1.00 0.00 O ATOM 335 CB PRO A 24 4.553 -6.797 -4.495 1.00 0.00 C ATOM 336 CG PRO A 24 5.474 -7.966 -4.531 1.00 0.00 C ATOM 337 CD PRO A 24 4.684 -9.114 -5.099 1.00 0.00 C ATOM 0 HA PRO A 24 2.597 -6.618 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.101 -5.860 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.009 -6.752 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.347 -7.753 -5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.839 -8.203 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.297 -9.739 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.294 -9.759 -4.312 1.00 0.00 H new ATOM 342 N LYS A 25 4.811 -6.943 -7.791 1.00 0.00 N ATOM 343 CA LYS A 25 5.305 -6.321 -9.017 1.00 0.00 C ATOM 344 C LYS A 25 4.148 -5.970 -9.941 1.00 0.00 C ATOM 345 O LYS A 25 4.117 -4.894 -10.542 1.00 0.00 O ATOM 346 CB LYS A 25 6.264 -7.248 -9.769 1.00 0.00 C ATOM 347 CG LYS A 25 7.597 -7.488 -9.081 1.00 0.00 C ATOM 348 CD LYS A 25 8.551 -8.216 -10.014 1.00 0.00 C ATOM 349 CE LYS A 25 9.900 -8.486 -9.366 1.00 0.00 C ATOM 350 NZ LYS A 25 9.793 -9.440 -8.233 1.00 0.00 N ATOM 0 H LYS A 25 5.059 -7.926 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 25 5.838 -5.417 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.772 -8.209 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.453 -6.827 -10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.032 -6.537 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.446 -8.075 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.103 -9.161 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.696 -7.622 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.587 -8.885 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.326 -7.548 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.745 -9.727 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.300 -8.983 -7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.259 -10.279 -8.535 1.00 0.00 H new ATOM 360 N THR A 26 3.194 -6.884 -10.040 1.00 0.00 N ATOM 361 CA THR A 26 2.068 -6.729 -10.948 1.00 0.00 C ATOM 362 C THR A 26 0.912 -5.958 -10.309 1.00 0.00 C ATOM 363 O THR A 26 -0.242 -6.092 -10.722 1.00 0.00 O ATOM 364 CB THR A 26 1.572 -8.104 -11.440 1.00 0.00 C ATOM 365 OG1 THR A 26 1.501 -9.025 -10.341 1.00 0.00 O ATOM 366 CG2 THR A 26 2.501 -8.665 -12.504 1.00 0.00 C ATOM 0 H THR A 26 3.178 -7.748 -9.498 1.00 0.00 H new ATOM 0 HA THR A 26 2.425 -6.148 -11.798 1.00 0.00 H new ATOM 0 HB THR A 26 0.580 -7.970 -11.872 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.374 -9.453 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.131 -9.635 -12.836 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.538 -7.981 -13.352 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.502 -8.781 -12.088 1.00 0.00 H new ATOM 374 N VAL A 27 1.224 -5.145 -9.309 1.00 0.00 N ATOM 375 CA VAL A 27 0.223 -4.299 -8.678 1.00 0.00 C ATOM 376 C VAL A 27 0.381 -2.862 -9.147 1.00 0.00 C ATOM 377 O VAL A 27 1.417 -2.234 -8.925 1.00 0.00 O ATOM 378 CB VAL A 27 0.307 -4.336 -7.135 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.786 -3.473 -6.512 1.00 0.00 C ATOM 380 CG2 VAL A 27 0.210 -5.763 -6.626 1.00 0.00 C ATOM 0 H VAL A 27 2.162 -5.054 -8.918 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.751 -4.690 -8.972 1.00 0.00 H new ATOM 0 HB VAL A 27 1.275 -3.930 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.707 -3.514 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.670 -2.442 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.763 -3.845 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.271 -5.766 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.740 -6.196 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.029 -6.352 -7.037 1.00 0.00 H new ATOM 390 N ARG A 28 -0.645 -2.351 -9.806 1.00 0.00 N ATOM 391 CA ARG A 28 -0.643 -0.972 -10.260 1.00 0.00 C ATOM 392 C ARG A 28 -0.918 -0.056 -9.076 1.00 0.00 C ATOM 393 O ARG A 28 -1.505 -0.492 -8.081 1.00 0.00 O ATOM 394 CB ARG A 28 -1.707 -0.765 -11.343 1.00 0.00 C ATOM 395 CG ARG A 28 -1.527 -1.664 -12.558 1.00 0.00 C ATOM 396 CD ARG A 28 -2.814 -1.775 -13.363 1.00 0.00 C ATOM 397 NE ARG A 28 -3.886 -2.391 -12.576 1.00 0.00 N ATOM 398 CZ ARG A 28 -5.057 -2.787 -13.072 1.00 0.00 C ATOM 399 NH1 ARG A 28 -5.332 -2.632 -14.357 1.00 0.00 N ATOM 400 NH2 ARG A 28 -5.962 -3.340 -12.270 1.00 0.00 N ATOM 0 H ARG A 28 -1.491 -2.872 -10.039 1.00 0.00 H new ATOM 0 HA ARG A 28 0.332 -0.735 -10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.692 -0.945 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.686 0.276 -11.666 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.733 -1.268 -13.191 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.212 -2.656 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.126 -0.784 -13.692 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.634 -2.367 -14.261 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.724 -2.526 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.644 -2.206 -14.978 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.232 -2.939 -14.727 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.759 -3.460 -11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.860 -3.644 -12.647 1.00 0.00 H new ATOM 411 N PHE A 29 -0.508 1.202 -9.169 1.00 0.00 N ATOM 412 CA PHE A 29 -0.770 2.153 -8.097 1.00 0.00 C ATOM 413 C PHE A 29 -2.266 2.268 -7.843 1.00 0.00 C ATOM 414 O PHE A 29 -2.698 2.467 -6.710 1.00 0.00 O ATOM 415 CB PHE A 29 -0.175 3.526 -8.416 1.00 0.00 C ATOM 416 CG PHE A 29 1.327 3.554 -8.355 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.993 3.156 -7.206 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.071 3.974 -9.444 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.373 3.176 -7.145 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.451 3.997 -9.388 1.00 0.00 C ATOM 421 CZ PHE A 29 4.103 3.598 -8.238 1.00 0.00 C ATOM 0 H PHE A 29 0.001 1.585 -9.966 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.288 1.781 -7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.497 3.831 -9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.574 4.259 -7.714 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.426 2.826 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.567 4.287 -10.347 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.880 2.862 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.020 4.327 -10.244 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.182 3.616 -8.194 1.00 0.00 H new ATOM 430 N THR A 30 -3.051 2.108 -8.904 1.00 0.00 N ATOM 431 CA THR A 30 -4.502 2.134 -8.799 1.00 0.00 C ATOM 432 C THR A 30 -5.006 1.000 -7.905 1.00 0.00 C ATOM 433 O THR A 30 -5.831 1.220 -7.020 1.00 0.00 O ATOM 434 CB THR A 30 -5.151 2.011 -10.188 1.00 0.00 C ATOM 435 OG1 THR A 30 -4.436 2.827 -11.124 1.00 0.00 O ATOM 436 CG2 THR A 30 -6.609 2.443 -10.143 1.00 0.00 C ATOM 0 H THR A 30 -2.702 1.958 -9.851 1.00 0.00 H new ATOM 0 HA THR A 30 -4.782 3.089 -8.354 1.00 0.00 H new ATOM 0 HB THR A 30 -5.109 0.968 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.848 2.747 -12.009 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.048 2.348 -11.136 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.155 1.810 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.671 3.481 -9.817 1.00 0.00 H new ATOM 444 N ASP A 31 -4.479 -0.205 -8.125 1.00 0.00 N ATOM 445 CA ASP A 31 -4.890 -1.379 -7.350 1.00 0.00 C ATOM 446 C ASP A 31 -4.598 -1.164 -5.879 1.00 0.00 C ATOM 447 O ASP A 31 -5.470 -1.329 -5.027 1.00 0.00 O ATOM 448 CB ASP A 31 -4.155 -2.644 -7.809 1.00 0.00 C ATOM 449 CG ASP A 31 -4.407 -2.994 -9.254 1.00 0.00 C ATOM 450 OD1 ASP A 31 -5.556 -3.329 -9.605 1.00 0.00 O ATOM 451 OD2 ASP A 31 -3.448 -2.946 -10.048 1.00 0.00 O ATOM 0 H ASP A 31 -3.768 -0.395 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.960 -1.512 -7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.084 -2.508 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.462 -3.481 -7.182 1.00 0.00 H new ATOM 455 N MET A 32 -3.359 -0.789 -5.592 1.00 0.00 N ATOM 456 CA MET A 32 -2.926 -0.567 -4.224 1.00 0.00 C ATOM 457 C MET A 32 -3.740 0.561 -3.600 1.00 0.00 C ATOM 458 O MET A 32 -4.227 0.434 -2.478 1.00 0.00 O ATOM 459 CB MET A 32 -1.425 -0.250 -4.191 1.00 0.00 C ATOM 460 CG MET A 32 -0.778 -0.496 -2.836 1.00 0.00 C ATOM 461 SD MET A 32 -1.232 0.728 -1.593 1.00 0.00 S ATOM 462 CE MET A 32 -0.270 2.126 -2.142 1.00 0.00 C ATOM 0 H MET A 32 -2.635 -0.632 -6.293 1.00 0.00 H new ATOM 0 HA MET A 32 -3.093 -1.472 -3.641 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.918 -0.857 -4.941 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.277 0.793 -4.471 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.062 -1.486 -2.481 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.306 -0.498 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.151 2.831 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.711 1.785 -2.473 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.782 2.617 -2.970 1.00 0.00 H new ATOM 470 N HIS A 33 -3.919 1.643 -4.357 1.00 0.00 N ATOM 471 CA HIS A 33 -4.714 2.786 -3.908 1.00 0.00 C ATOM 472 C HIS A 33 -6.111 2.345 -3.488 1.00 0.00 C ATOM 473 O HIS A 33 -6.668 2.861 -2.525 1.00 0.00 O ATOM 474 CB HIS A 33 -4.827 3.838 -5.022 1.00 0.00 C ATOM 475 CG HIS A 33 -5.669 5.025 -4.650 1.00 0.00 C ATOM 476 ND1 HIS A 33 -7.011 5.135 -4.968 1.00 0.00 N ATOM 477 CD2 HIS A 33 -5.356 6.148 -3.968 1.00 0.00 C ATOM 478 CE1 HIS A 33 -7.478 6.276 -4.489 1.00 0.00 C ATOM 479 NE2 HIS A 33 -6.495 6.908 -3.881 1.00 0.00 N ATOM 0 H HIS A 33 -3.521 1.752 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.206 3.224 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.827 4.182 -5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.249 3.369 -5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.387 6.401 -3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.494 6.630 -4.581 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.569 7.815 -3.420 1.00 0.00 H new ATOM 487 N GLN A 34 -6.664 1.395 -4.221 1.00 0.00 N ATOM 488 CA GLN A 34 -8.016 0.923 -3.976 1.00 0.00 C ATOM 489 C GLN A 34 -8.095 0.160 -2.663 1.00 0.00 C ATOM 490 O GLN A 34 -8.928 0.459 -1.807 1.00 0.00 O ATOM 491 CB GLN A 34 -8.472 0.035 -5.135 1.00 0.00 C ATOM 492 CG GLN A 34 -9.656 0.605 -5.900 1.00 0.00 C ATOM 493 CD GLN A 34 -9.509 2.084 -6.205 1.00 0.00 C ATOM 494 OE1 GLN A 34 -8.404 2.596 -6.403 1.00 0.00 O ATOM 495 NE2 GLN A 34 -10.624 2.790 -6.219 1.00 0.00 N ATOM 0 H GLN A 34 -6.193 0.931 -4.998 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.678 1.786 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.639 -0.109 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.738 -0.948 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.775 0.057 -6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.566 0.448 -5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.520 2.332 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.590 3.794 -6.398 1.00 0.00 H new ATOM 502 N TRP A 35 -7.208 -0.808 -2.502 1.00 0.00 N ATOM 503 CA TRP A 35 -7.207 -1.652 -1.317 1.00 0.00 C ATOM 504 C TRP A 35 -6.831 -0.849 -0.077 1.00 0.00 C ATOM 505 O TRP A 35 -7.422 -1.027 0.989 1.00 0.00 O ATOM 506 CB TRP A 35 -6.245 -2.828 -1.504 1.00 0.00 C ATOM 507 CG TRP A 35 -6.520 -3.619 -2.748 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.741 -3.870 -3.308 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.554 -4.264 -3.585 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.590 -4.624 -4.447 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.258 -4.883 -4.636 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.160 -4.376 -3.548 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.613 -5.604 -5.640 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.524 -5.091 -4.544 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.249 -5.696 -5.577 1.00 0.00 C ATOM 0 H TRP A 35 -6.477 -1.030 -3.178 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.215 -2.042 -1.175 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.223 -2.452 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.313 -3.487 -0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.686 -3.526 -2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.347 -4.940 -5.053 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.592 -3.912 -2.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.169 -6.073 -6.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.448 -5.185 -4.525 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.721 -6.247 -6.341 1.00 0.00 H new ATOM 525 N ILE A 36 -5.863 0.048 -0.229 1.00 0.00 N ATOM 526 CA ILE A 36 -5.392 0.866 0.882 1.00 0.00 C ATOM 527 C ILE A 36 -6.450 1.909 1.273 1.00 0.00 C ATOM 528 O ILE A 36 -6.588 2.254 2.443 1.00 0.00 O ATOM 529 CB ILE A 36 -4.022 1.534 0.546 1.00 0.00 C ATOM 530 CG1 ILE A 36 -3.247 1.909 1.820 1.00 0.00 C ATOM 531 CG2 ILE A 36 -4.191 2.760 -0.344 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.723 3.170 2.515 1.00 0.00 C ATOM 0 H ILE A 36 -5.388 0.227 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.232 0.216 1.743 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.443 0.792 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.311 1.079 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.194 2.029 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.214 3.195 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.667 2.467 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.814 3.496 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.114 3.349 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.632 4.017 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.766 3.052 2.809 1.00 0.00 H new ATOM 543 N CYS A 37 -7.225 2.375 0.301 1.00 0.00 N ATOM 544 CA CYS A 37 -8.255 3.370 0.571 1.00 0.00 C ATOM 545 C CYS A 37 -9.383 2.759 1.395 1.00 0.00 C ATOM 546 O CYS A 37 -10.003 3.434 2.219 1.00 0.00 O ATOM 547 CB CYS A 37 -8.805 3.940 -0.738 1.00 0.00 C ATOM 548 SG CYS A 37 -9.812 5.427 -0.542 1.00 0.00 S ATOM 0 H CYS A 37 -7.161 2.083 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.806 4.182 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.970 4.167 -1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.403 3.173 -1.231 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.225 5.828 -1.708 1.00 0.00 H new ATOM 553 N ASP A 38 -9.631 1.471 1.187 1.00 0.00 N ATOM 554 CA ASP A 38 -10.683 0.770 1.913 1.00 0.00 C ATOM 555 C ASP A 38 -10.134 0.061 3.142 1.00 0.00 C ATOM 556 O ASP A 38 -10.748 -0.881 3.651 1.00 0.00 O ATOM 557 CB ASP A 38 -11.407 -0.236 1.014 1.00 0.00 C ATOM 558 CG ASP A 38 -12.444 0.418 0.126 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.448 0.934 0.662 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.278 0.391 -1.110 1.00 0.00 O ATOM 0 H ASP A 38 -9.118 0.892 0.522 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.399 1.524 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.676 -0.754 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.890 -0.991 1.635 1.00 0.00 H new ATOM 564 N LEU A 39 -8.976 0.500 3.616 1.00 0.00 N ATOM 565 CA LEU A 39 -8.436 -0.009 4.865 1.00 0.00 C ATOM 566 C LEU A 39 -9.159 0.637 6.033 1.00 0.00 C ATOM 567 O LEU A 39 -9.277 1.860 6.100 1.00 0.00 O ATOM 568 CB LEU A 39 -6.934 0.264 4.981 1.00 0.00 C ATOM 569 CG LEU A 39 -6.051 -0.478 3.980 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.582 -0.233 4.284 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.356 -1.962 4.003 1.00 0.00 C ATOM 0 H LEU A 39 -8.397 1.203 3.157 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.587 -1.088 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.767 1.335 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.611 0.001 5.988 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.265 -0.097 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.967 -0.769 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.370 0.834 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.354 -0.588 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.718 -2.476 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.168 -2.357 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.402 -2.123 3.740 1.00 0.00 H new ATOM 582 N GLU A 40 -9.635 -0.188 6.952 1.00 0.00 N ATOM 583 CA GLU A 40 -10.349 0.301 8.126 1.00 0.00 C ATOM 584 C GLU A 40 -9.385 1.012 9.074 1.00 0.00 C ATOM 585 O GLU A 40 -9.798 1.691 10.016 1.00 0.00 O ATOM 586 CB GLU A 40 -11.039 -0.862 8.834 1.00 0.00 C ATOM 587 CG GLU A 40 -11.901 -1.697 7.902 1.00 0.00 C ATOM 588 CD GLU A 40 -12.560 -2.866 8.597 1.00 0.00 C ATOM 589 OE1 GLU A 40 -11.836 -3.745 9.115 1.00 0.00 O ATOM 590 OE2 GLU A 40 -13.808 -2.926 8.608 1.00 0.00 O ATOM 0 H GLU A 40 -9.541 -1.203 6.909 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.107 1.017 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.284 -1.501 9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.659 -0.472 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.670 -1.063 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.286 -2.068 7.082 1.00 0.00 H new ATOM 595 N ASP A 41 -8.097 0.840 8.813 1.00 0.00 N ATOM 596 CA ASP A 41 -7.054 1.495 9.588 1.00 0.00 C ATOM 597 C ASP A 41 -6.619 2.789 8.906 1.00 0.00 C ATOM 598 O ASP A 41 -6.014 3.662 9.529 1.00 0.00 O ATOM 599 CB ASP A 41 -5.847 0.563 9.746 1.00 0.00 C ATOM 600 CG ASP A 41 -6.185 -0.724 10.470 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.862 -1.588 9.871 1.00 0.00 O ATOM 602 OD2 ASP A 41 -5.781 -0.878 11.641 1.00 0.00 O ATOM 0 H ASP A 41 -7.747 0.245 8.062 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.454 1.731 10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.447 0.325 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.061 1.085 10.292 1.00 0.00 H new ATOM 606 N PHE A 42 -6.934 2.908 7.622 1.00 0.00 N ATOM 607 CA PHE A 42 -6.559 4.086 6.848 1.00 0.00 C ATOM 608 C PHE A 42 -7.504 5.252 7.116 1.00 0.00 C ATOM 609 O PHE A 42 -8.723 5.079 7.167 1.00 0.00 O ATOM 610 CB PHE A 42 -6.546 3.760 5.350 1.00 0.00 C ATOM 611 CG PHE A 42 -6.487 4.977 4.468 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.323 5.718 4.362 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.604 5.384 3.752 1.00 0.00 C ATOM 614 CE1 PHE A 42 -5.273 6.842 3.562 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.559 6.507 2.948 1.00 0.00 C ATOM 616 CZ PHE A 42 -6.391 7.238 2.855 1.00 0.00 C ATOM 0 H PHE A 42 -7.448 2.203 7.094 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.557 4.381 7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.689 3.123 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.440 3.187 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.444 5.414 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.520 4.816 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.359 7.412 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.435 6.812 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.352 8.118 2.230 1.00 0.00 H new ATOM 625 N ASP A 43 -6.924 6.438 7.280 1.00 0.00 N ATOM 626 CA ASP A 43 -7.695 7.663 7.443 1.00 0.00 C ATOM 627 C ASP A 43 -6.787 8.873 7.247 1.00 0.00 C ATOM 628 O ASP A 43 -6.131 9.330 8.184 1.00 0.00 O ATOM 629 CB ASP A 43 -8.356 7.719 8.826 1.00 0.00 C ATOM 630 CG ASP A 43 -9.299 8.900 8.968 1.00 0.00 C ATOM 631 OD1 ASP A 43 -10.343 8.917 8.284 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.014 9.809 9.773 1.00 0.00 O ATOM 0 H ASP A 43 -5.913 6.575 7.303 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.484 7.676 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.907 6.795 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.584 7.780 9.593 1.00 0.00 H new ATOM 636 N ASP A 44 -6.722 9.362 6.011 1.00 0.00 N ATOM 637 CA ASP A 44 -5.905 10.529 5.689 1.00 0.00 C ATOM 638 C ASP A 44 -6.539 11.315 4.537 1.00 0.00 C ATOM 639 O ASP A 44 -7.470 12.088 4.756 1.00 0.00 O ATOM 640 CB ASP A 44 -4.461 10.111 5.356 1.00 0.00 C ATOM 641 CG ASP A 44 -3.497 11.284 5.202 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.952 12.430 5.014 1.00 0.00 O ATOM 643 OD2 ASP A 44 -2.267 11.059 5.289 1.00 0.00 O ATOM 0 H ASP A 44 -7.225 8.968 5.216 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.864 11.180 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.093 9.452 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.465 9.533 4.432 1.00 0.00 H new ATOM 647 N ASP A 45 -6.072 11.092 3.310 1.00 0.00 N ATOM 648 CA ASP A 45 -6.599 11.814 2.153 1.00 0.00 C ATOM 649 C ASP A 45 -6.591 10.921 0.915 1.00 0.00 C ATOM 650 O ASP A 45 -5.530 10.571 0.401 1.00 0.00 O ATOM 651 CB ASP A 45 -5.781 13.081 1.899 1.00 0.00 C ATOM 652 CG ASP A 45 -6.449 14.018 0.912 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.377 13.760 -0.303 1.00 0.00 O ATOM 654 OD2 ASP A 45 -7.047 15.027 1.352 1.00 0.00 O ATOM 0 H ASP A 45 -5.335 10.422 3.092 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.629 12.100 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.626 13.604 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.796 12.804 1.522 1.00 0.00 H new ATOM 658 N PRO A 46 -7.777 10.536 0.428 1.00 0.00 N ATOM 659 CA PRO A 46 -7.915 9.601 -0.700 1.00 0.00 C ATOM 660 C PRO A 46 -7.498 10.180 -2.055 1.00 0.00 C ATOM 661 O PRO A 46 -7.116 9.428 -2.958 1.00 0.00 O ATOM 662 CB PRO A 46 -9.407 9.270 -0.703 1.00 0.00 C ATOM 663 CG PRO A 46 -10.069 10.431 -0.046 1.00 0.00 C ATOM 664 CD PRO A 46 -9.085 10.969 0.955 1.00 0.00 C ATOM 0 HA PRO A 46 -7.257 8.742 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.777 9.130 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.606 8.345 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.334 11.193 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.993 10.125 0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.146 12.055 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.268 10.567 1.952 1.00 0.00 H new ATOM 669 N GLN A 47 -7.553 11.500 -2.205 1.00 0.00 N ATOM 670 CA GLN A 47 -7.288 12.119 -3.502 1.00 0.00 C ATOM 671 C GLN A 47 -5.865 12.666 -3.604 1.00 0.00 C ATOM 672 O GLN A 47 -5.443 13.100 -4.675 1.00 0.00 O ATOM 673 CB GLN A 47 -8.299 13.233 -3.810 1.00 0.00 C ATOM 674 CG GLN A 47 -8.464 14.260 -2.703 1.00 0.00 C ATOM 675 CD GLN A 47 -9.511 13.859 -1.683 1.00 0.00 C ATOM 676 OE1 GLN A 47 -10.506 13.212 -2.011 1.00 0.00 O ATOM 677 NE2 GLN A 47 -9.278 14.212 -0.435 1.00 0.00 N ATOM 0 H GLN A 47 -7.776 12.156 -1.456 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.398 11.329 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.989 13.746 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.269 12.779 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.508 14.402 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.739 15.219 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.441 14.748 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.934 13.949 0.300 1.00 0.00 H new ATOM 684 N ALA A 48 -5.126 12.653 -2.503 1.00 0.00 N ATOM 685 CA ALA A 48 -3.737 13.100 -2.525 1.00 0.00 C ATOM 686 C ALA A 48 -2.872 12.126 -3.291 1.00 0.00 C ATOM 687 O ALA A 48 -2.191 12.513 -4.237 1.00 0.00 O ATOM 688 CB ALA A 48 -3.176 13.229 -1.123 1.00 0.00 C ATOM 0 H ALA A 48 -5.459 12.341 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.727 14.075 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.140 13.564 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.764 13.955 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.220 12.261 -0.623 1.00 0.00 H new ATOM 694 N SER A 49 -2.969 10.862 -2.868 1.00 0.00 N ATOM 695 CA SER A 49 -2.076 9.765 -3.260 1.00 0.00 C ATOM 696 C SER A 49 -1.324 9.998 -4.565 1.00 0.00 C ATOM 697 O SER A 49 -1.733 9.529 -5.630 1.00 0.00 O ATOM 698 CB SER A 49 -2.897 8.486 -3.366 1.00 0.00 C ATOM 699 OG SER A 49 -3.756 8.350 -2.248 1.00 0.00 O ATOM 0 H SER A 49 -3.697 10.563 -2.220 1.00 0.00 H new ATOM 0 HA SER A 49 -1.310 9.694 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.485 8.500 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.232 7.625 -3.427 1.00 0.00 H new ATOM 0 HG SER A 49 -3.231 8.091 -1.462 1.00 0.00 H new ATOM 704 N ASN A 50 -0.231 10.742 -4.474 1.00 0.00 N ATOM 705 CA ASN A 50 0.679 10.882 -5.605 1.00 0.00 C ATOM 706 C ASN A 50 1.364 9.552 -5.890 1.00 0.00 C ATOM 707 O ASN A 50 1.550 8.747 -4.974 1.00 0.00 O ATOM 708 CB ASN A 50 1.734 11.966 -5.347 1.00 0.00 C ATOM 709 CG ASN A 50 1.153 13.365 -5.353 1.00 0.00 C ATOM 710 OD1 ASN A 50 1.092 14.018 -6.394 1.00 0.00 O ATOM 711 ND2 ASN A 50 0.724 13.838 -4.195 1.00 0.00 N ATOM 0 H ASN A 50 0.047 11.255 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 50 0.091 11.183 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.211 11.780 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.512 11.897 -6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.325 14.775 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.792 13.265 -3.354 1.00 0.00 H new ATOM 717 N GLU A 51 1.729 9.308 -7.139 1.00 0.00 N ATOM 718 CA GLU A 51 2.346 8.034 -7.516 1.00 0.00 C ATOM 719 C GLU A 51 3.580 7.761 -6.664 1.00 0.00 C ATOM 720 O GLU A 51 3.715 6.686 -6.080 1.00 0.00 O ATOM 721 CB GLU A 51 2.737 8.012 -8.999 1.00 0.00 C ATOM 722 CG GLU A 51 1.613 8.391 -9.948 1.00 0.00 C ATOM 723 CD GLU A 51 1.398 9.886 -10.018 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.279 10.586 -10.554 1.00 0.00 O ATOM 725 OE2 GLU A 51 0.364 10.372 -9.515 1.00 0.00 O ATOM 0 H GLU A 51 1.612 9.967 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 51 1.604 7.254 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.572 8.695 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.091 7.013 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.839 8.012 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.690 7.909 -9.625 1.00 0.00 H new ATOM 730 N LYS A 52 4.458 8.756 -6.561 1.00 0.00 N ATOM 731 CA LYS A 52 5.693 8.613 -5.795 1.00 0.00 C ATOM 732 C LYS A 52 5.413 8.474 -4.294 1.00 0.00 C ATOM 733 O LYS A 52 6.274 8.031 -3.535 1.00 0.00 O ATOM 734 CB LYS A 52 6.648 9.776 -6.083 1.00 0.00 C ATOM 735 CG LYS A 52 6.083 11.152 -5.783 1.00 0.00 C ATOM 736 CD LYS A 52 6.946 12.234 -6.414 1.00 0.00 C ATOM 737 CE LYS A 52 6.432 13.630 -6.106 1.00 0.00 C ATOM 738 NZ LYS A 52 6.702 14.034 -4.702 1.00 0.00 N ATOM 0 H LYS A 52 4.337 9.670 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 52 6.180 7.692 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.556 9.636 -5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.938 9.739 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.064 11.224 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.032 11.303 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.969 12.137 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.975 12.089 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.900 14.344 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.359 13.669 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.333 14.993 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.235 13.369 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.727 14.024 -4.529 1.00 0.00 H new ATOM 748 N ILE A 53 4.213 8.857 -3.875 1.00 0.00 N ATOM 749 CA ILE A 53 3.758 8.615 -2.509 1.00 0.00 C ATOM 750 C ILE A 53 3.499 7.126 -2.321 1.00 0.00 C ATOM 751 O ILE A 53 3.971 6.507 -1.366 1.00 0.00 O ATOM 752 CB ILE A 53 2.459 9.400 -2.205 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.757 10.895 -2.077 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.775 8.876 -0.943 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.465 11.265 -0.796 1.00 0.00 C ATOM 0 H ILE A 53 3.534 9.339 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 53 4.535 8.954 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 53 1.773 9.251 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.368 11.208 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.821 11.450 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.866 9.448 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.521 7.825 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.450 8.981 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.643 12.340 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.846 10.984 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.418 10.739 -0.742 1.00 0.00 H new ATOM 766 N LEU A 54 2.761 6.556 -3.262 1.00 0.00 N ATOM 767 CA LEU A 54 2.418 5.145 -3.216 1.00 0.00 C ATOM 768 C LEU A 54 3.637 4.293 -3.546 1.00 0.00 C ATOM 769 O LEU A 54 3.687 3.112 -3.211 1.00 0.00 O ATOM 770 CB LEU A 54 1.277 4.847 -4.191 1.00 0.00 C ATOM 771 CG LEU A 54 0.021 5.704 -4.007 1.00 0.00 C ATOM 772 CD1 LEU A 54 -1.067 5.265 -4.971 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.477 5.633 -2.571 1.00 0.00 C ATOM 0 H LEU A 54 2.387 7.053 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 54 2.087 4.898 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.645 4.983 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.999 3.798 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 54 0.280 6.740 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.952 5.884 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.711 5.374 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.320 4.221 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.370 6.249 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.717 4.600 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.299 5.999 -1.898 1.00 0.00 H new ATOM 784 N GLU A 55 4.615 4.913 -4.202 1.00 0.00 N ATOM 785 CA GLU A 55 5.882 4.265 -4.522 1.00 0.00 C ATOM 786 C GLU A 55 6.500 3.665 -3.266 1.00 0.00 C ATOM 787 O GLU A 55 6.805 2.478 -3.220 1.00 0.00 O ATOM 788 CB GLU A 55 6.848 5.284 -5.133 1.00 0.00 C ATOM 789 CG GLU A 55 8.157 4.684 -5.617 1.00 0.00 C ATOM 790 CD GLU A 55 8.022 3.993 -6.956 1.00 0.00 C ATOM 791 OE1 GLU A 55 7.608 2.820 -6.992 1.00 0.00 O ATOM 792 OE2 GLU A 55 8.337 4.634 -7.982 1.00 0.00 O ATOM 0 H GLU A 55 4.550 5.878 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 55 5.695 3.467 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.356 5.779 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.065 6.053 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.907 5.471 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.519 3.969 -4.878 1.00 0.00 H new ATOM 797 N ALA A 56 6.651 4.493 -2.236 1.00 0.00 N ATOM 798 CA ALA A 56 7.243 4.057 -0.977 1.00 0.00 C ATOM 799 C ALA A 56 6.437 2.920 -0.357 1.00 0.00 C ATOM 800 O ALA A 56 6.995 1.997 0.236 1.00 0.00 O ATOM 801 CB ALA A 56 7.336 5.227 -0.010 1.00 0.00 C ATOM 0 H ALA A 56 6.370 5.473 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 56 8.247 3.686 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.780 4.890 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.957 6.010 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.338 5.621 0.182 1.00 0.00 H new ATOM 807 N ILE A 57 5.122 2.983 -0.522 1.00 0.00 N ATOM 808 CA ILE A 57 4.227 1.970 0.023 1.00 0.00 C ATOM 809 C ILE A 57 4.347 0.669 -0.772 1.00 0.00 C ATOM 810 O ILE A 57 4.177 -0.427 -0.237 1.00 0.00 O ATOM 811 CB ILE A 57 2.762 2.459 0.005 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.655 3.826 0.685 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.853 1.451 0.694 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.265 4.420 0.647 1.00 0.00 C ATOM 0 H ILE A 57 4.649 3.729 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 57 4.519 1.786 1.057 1.00 0.00 H new ATOM 0 HB ILE A 57 2.441 2.557 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.971 3.730 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.348 4.516 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.825 1.813 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.912 0.494 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.170 1.323 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.269 5.388 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.953 4.549 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.570 3.751 1.155 1.00 0.00 H new ATOM 825 N LEU A 58 4.650 0.803 -2.053 1.00 0.00 N ATOM 826 CA LEU A 58 4.844 -0.345 -2.924 1.00 0.00 C ATOM 827 C LEU A 58 6.224 -0.952 -2.669 1.00 0.00 C ATOM 828 O LEU A 58 6.389 -2.172 -2.674 1.00 0.00 O ATOM 829 CB LEU A 58 4.687 0.096 -4.392 1.00 0.00 C ATOM 830 CG LEU A 58 4.404 -1.010 -5.420 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.663 -1.793 -5.751 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.311 -1.943 -4.918 1.00 0.00 C ATOM 0 H LEU A 58 4.768 1.704 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 58 4.094 -1.108 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.877 0.823 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.599 0.613 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 58 4.058 -0.531 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.428 -2.568 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.412 -1.119 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.053 -2.255 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.126 -2.719 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.628 -2.404 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.396 -1.375 -4.751 1.00 0.00 H new ATOM 843 N LEU A 59 7.206 -0.088 -2.415 1.00 0.00 N ATOM 844 CA LEU A 59 8.575 -0.523 -2.144 1.00 0.00 C ATOM 845 C LEU A 59 8.642 -1.378 -0.883 1.00 0.00 C ATOM 846 O LEU A 59 9.272 -2.437 -0.876 1.00 0.00 O ATOM 847 CB LEU A 59 9.509 0.686 -2.004 1.00 0.00 C ATOM 848 CG LEU A 59 9.663 1.547 -3.259 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.603 2.713 -2.995 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.165 0.707 -4.423 1.00 0.00 C ATOM 0 H LEU A 59 7.077 0.924 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 59 8.902 -1.129 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.140 1.316 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.495 0.329 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 59 8.685 1.949 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.700 3.314 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.201 3.329 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.582 2.332 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.269 1.336 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.133 0.275 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.453 -0.093 -4.628 1.00 0.00 H new ATOM 861 N VAL A 60 7.985 -0.927 0.182 1.00 0.00 N ATOM 862 CA VAL A 60 7.962 -1.688 1.425 1.00 0.00 C ATOM 863 C VAL A 60 7.204 -3.002 1.228 1.00 0.00 C ATOM 864 O VAL A 60 7.544 -4.019 1.831 1.00 0.00 O ATOM 865 CB VAL A 60 7.354 -0.876 2.600 1.00 0.00 C ATOM 866 CG1 VAL A 60 5.927 -0.452 2.302 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.420 -1.663 3.901 1.00 0.00 C ATOM 0 H VAL A 60 7.467 -0.049 0.209 1.00 0.00 H new ATOM 0 HA VAL A 60 8.996 -1.909 1.691 1.00 0.00 H new ATOM 0 HB VAL A 60 7.953 0.027 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.532 0.114 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.912 0.171 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.311 -1.336 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.987 -1.070 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.860 -2.592 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.460 -1.891 4.136 1.00 0.00 H new ATOM 877 N TRP A 61 6.201 -2.984 0.350 1.00 0.00 N ATOM 878 CA TRP A 61 5.474 -4.198 0.000 1.00 0.00 C ATOM 879 C TRP A 61 6.438 -5.188 -0.650 1.00 0.00 C ATOM 880 O TRP A 61 6.501 -6.350 -0.258 1.00 0.00 O ATOM 881 CB TRP A 61 4.313 -3.871 -0.948 1.00 0.00 C ATOM 882 CG TRP A 61 3.306 -4.980 -1.104 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.434 -6.280 -0.703 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.012 -4.876 -1.710 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.302 -6.989 -1.023 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.413 -6.149 -1.641 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.302 -3.830 -2.302 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.140 -6.400 -2.144 1.00 0.00 C ATOM 889 CZ3 TRP A 61 0.038 -4.080 -2.800 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.530 -5.355 -2.718 1.00 0.00 C ATOM 0 H TRP A 61 5.876 -2.144 -0.129 1.00 0.00 H new ATOM 0 HA TRP A 61 5.055 -4.644 0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.801 -2.981 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.719 -3.625 -1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.300 -6.691 -0.206 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.148 -7.979 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.734 -2.842 -2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.302 -7.383 -2.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.520 -3.278 -3.260 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.520 -5.518 -3.117 1.00 0.00 H new ATOM 900 N LEU A 62 7.206 -4.701 -1.623 1.00 0.00 N ATOM 901 CA LEU A 62 8.225 -5.512 -2.287 1.00 0.00 C ATOM 902 C LEU A 62 9.202 -6.089 -1.267 1.00 0.00 C ATOM 903 O LEU A 62 9.409 -7.299 -1.203 1.00 0.00 O ATOM 904 CB LEU A 62 9.008 -4.667 -3.299 1.00 0.00 C ATOM 905 CG LEU A 62 8.199 -4.095 -4.462 1.00 0.00 C ATOM 906 CD1 LEU A 62 9.063 -3.163 -5.299 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.644 -5.212 -5.328 1.00 0.00 C ATOM 0 H LEU A 62 7.141 -3.744 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 62 7.717 -6.326 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.476 -3.839 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.812 -5.279 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 62 7.364 -3.527 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.473 -2.763 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.421 -2.342 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.915 -3.715 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.071 -4.784 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.466 -5.805 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.996 -5.850 -4.727 1.00 0.00 H new ATOM 918 N ASP A 63 9.769 -5.206 -0.453 1.00 0.00 N ATOM 919 CA ASP A 63 10.810 -5.574 0.505 1.00 0.00 C ATOM 920 C ASP A 63 10.318 -6.628 1.501 1.00 0.00 C ATOM 921 O ASP A 63 11.088 -7.471 1.955 1.00 0.00 O ATOM 922 CB ASP A 63 11.289 -4.323 1.246 1.00 0.00 C ATOM 923 CG ASP A 63 12.531 -4.563 2.082 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.537 -5.067 1.535 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.518 -4.229 3.286 1.00 0.00 O ATOM 0 H ASP A 63 9.522 -4.216 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 63 11.641 -6.013 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.493 -3.535 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.488 -3.962 1.892 1.00 0.00 H new ATOM 929 N GLU A 64 9.035 -6.580 1.829 1.00 0.00 N ATOM 930 CA GLU A 64 8.454 -7.531 2.769 1.00 0.00 C ATOM 931 C GLU A 64 7.992 -8.817 2.079 1.00 0.00 C ATOM 932 O GLU A 64 8.281 -9.918 2.548 1.00 0.00 O ATOM 933 CB GLU A 64 7.276 -6.896 3.511 1.00 0.00 C ATOM 934 CG GLU A 64 7.682 -5.796 4.476 1.00 0.00 C ATOM 935 CD GLU A 64 8.639 -6.286 5.542 1.00 0.00 C ATOM 936 OE1 GLU A 64 8.378 -7.350 6.137 1.00 0.00 O ATOM 937 OE2 GLU A 64 9.657 -5.607 5.794 1.00 0.00 O ATOM 0 H GLU A 64 8.376 -5.894 1.460 1.00 0.00 H new ATOM 0 HA GLU A 64 9.237 -7.795 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.577 -6.487 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.744 -7.672 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.148 -4.983 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.791 -5.387 4.952 1.00 0.00 H new ATOM 942 N ALA A 65 7.278 -8.677 0.970 1.00 0.00 N ATOM 943 CA ALA A 65 6.650 -9.823 0.315 1.00 0.00 C ATOM 944 C ALA A 65 7.652 -10.676 -0.455 1.00 0.00 C ATOM 945 O ALA A 65 7.521 -11.900 -0.507 1.00 0.00 O ATOM 946 CB ALA A 65 5.536 -9.360 -0.614 1.00 0.00 C ATOM 0 H ALA A 65 7.118 -7.784 0.504 1.00 0.00 H new ATOM 0 HA ALA A 65 6.230 -10.448 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.079 -10.226 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.782 -8.824 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.949 -8.699 -1.376 1.00 0.00 H new ATOM 952 N GLU A 66 8.641 -10.037 -1.056 1.00 0.00 N ATOM 953 CA GLU A 66 9.593 -10.742 -1.900 1.00 0.00 C ATOM 954 C GLU A 66 10.794 -11.213 -1.084 1.00 0.00 C ATOM 955 O GLU A 66 10.906 -12.428 -0.837 1.00 0.00 O ATOM 956 CB GLU A 66 10.039 -9.847 -3.055 1.00 0.00 C ATOM 957 CG GLU A 66 8.875 -9.225 -3.812 1.00 0.00 C ATOM 958 CD GLU A 66 9.307 -8.463 -5.046 1.00 0.00 C ATOM 959 OE1 GLU A 66 10.318 -7.731 -4.985 1.00 0.00 O ATOM 960 OE2 GLU A 66 8.645 -8.607 -6.089 1.00 0.00 O ATOM 961 OXT GLU A 66 11.610 -10.361 -0.673 1.00 0.00 O ATOM 0 H GLU A 66 8.806 -9.034 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 66 9.103 -11.623 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.677 -9.054 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.644 -10.432 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.178 -10.011 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.336 -8.551 -3.147 1.00 0.00 H new TER 966 GLU A 66