USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 74:sc= 1.07 USER MOD Single : A 13 SER OG : rot -150:sc= -1.34! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.81! K(o=-3.8!,f=-1.2) USER MOD Single : A 17 MET CE :methyl 169:sc= -9.45! (180deg=-9.76!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -138:sc= -8.76! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.43) USER MOD Single : A 38 TYR OH : rot 177:sc= -0.429! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.62) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0493) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.941 16.505 -4.105 1.00 0.00 N ATOM 2 CA GLY A 1 15.346 17.813 -3.706 1.00 0.00 C ATOM 3 C GLY A 1 16.176 18.428 -2.579 1.00 0.00 C ATOM 4 O GLY A 1 16.737 19.496 -2.720 1.00 0.00 O ATOM 0 H1 GLY A 1 15.377 16.086 -4.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.916 16.653 -4.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.946 15.862 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.318 18.488 -4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.316 17.671 -3.378 1.00 0.00 H new ATOM 10 N SER A 2 16.260 17.761 -1.460 1.00 0.00 N ATOM 11 CA SER A 2 17.056 18.308 -0.325 1.00 0.00 C ATOM 12 C SER A 2 16.902 17.415 0.909 1.00 0.00 C ATOM 13 O SER A 2 17.870 16.899 1.431 1.00 0.00 O ATOM 14 CB SER A 2 16.475 19.696 -0.063 1.00 0.00 C ATOM 15 OG SER A 2 17.298 20.675 -0.685 1.00 0.00 O ATOM 0 H SER A 2 15.812 16.862 -1.283 1.00 0.00 H new ATOM 0 HA SER A 2 18.121 18.352 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.459 19.757 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.416 19.882 1.009 1.00 0.00 H new ATOM 0 HG SER A 2 17.155 20.655 -1.654 1.00 0.00 H new ATOM 21 N PRO A 3 15.679 17.265 1.328 1.00 0.00 N ATOM 22 CA PRO A 3 15.371 16.425 2.511 1.00 0.00 C ATOM 23 C PRO A 3 15.535 14.942 2.164 1.00 0.00 C ATOM 24 O PRO A 3 14.829 14.420 1.324 1.00 0.00 O ATOM 25 CB PRO A 3 13.913 16.758 2.815 1.00 0.00 C ATOM 26 CG PRO A 3 13.345 17.230 1.513 1.00 0.00 C ATOM 27 CD PRO A 3 14.477 17.859 0.741 1.00 0.00 C ATOM 0 HA PRO A 3 16.029 16.614 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.377 15.884 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.836 17.529 3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.914 16.398 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.545 17.951 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.403 17.641 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.476 18.944 0.845 1.00 0.00 H new ATOM 35 N PRO A 4 16.470 14.313 2.824 1.00 0.00 N ATOM 36 CA PRO A 4 16.736 12.873 2.582 1.00 0.00 C ATOM 37 C PRO A 4 15.616 12.016 3.173 1.00 0.00 C ATOM 38 O PRO A 4 15.617 10.806 3.055 1.00 0.00 O ATOM 39 CB PRO A 4 18.053 12.625 3.310 1.00 0.00 C ATOM 40 CG PRO A 4 18.117 13.680 4.367 1.00 0.00 C ATOM 41 CD PRO A 4 17.357 14.875 3.848 1.00 0.00 C ATOM 0 HA PRO A 4 16.786 12.618 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 4 18.080 11.627 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.900 12.698 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.679 13.320 5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.152 13.946 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.792 15.364 4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.029 15.623 3.427 1.00 0.00 H new ATOM 49 N GLU A 5 14.658 12.632 3.806 1.00 0.00 N ATOM 50 CA GLU A 5 13.538 11.854 4.403 1.00 0.00 C ATOM 51 C GLU A 5 12.201 12.299 3.804 1.00 0.00 C ATOM 52 O GLU A 5 11.454 13.040 4.409 1.00 0.00 O ATOM 53 CB GLU A 5 13.588 12.164 5.889 1.00 0.00 C ATOM 54 CG GLU A 5 13.885 10.881 6.669 1.00 0.00 C ATOM 55 CD GLU A 5 12.577 10.291 7.199 1.00 0.00 C ATOM 56 OE1 GLU A 5 11.752 11.057 7.669 1.00 0.00 O ATOM 57 OE2 GLU A 5 12.422 9.084 7.125 1.00 0.00 O ATOM 0 H GLU A 5 14.602 13.642 3.936 1.00 0.00 H new ATOM 0 HA GLU A 5 13.630 10.786 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.357 12.910 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.638 12.589 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.387 10.159 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.562 11.094 7.497 1.00 0.00 H new ATOM 64 N ALA A 6 11.897 11.851 2.616 1.00 0.00 N ATOM 65 CA ALA A 6 10.611 12.249 1.976 1.00 0.00 C ATOM 66 C ALA A 6 9.490 11.299 2.407 1.00 0.00 C ATOM 67 O ALA A 6 8.439 11.722 2.846 1.00 0.00 O ATOM 68 CB ALA A 6 10.867 12.132 0.473 1.00 0.00 C ATOM 0 H ALA A 6 12.483 11.227 2.061 1.00 0.00 H new ATOM 0 HA ALA A 6 10.300 13.254 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.965 12.409 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.681 12.799 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.138 11.105 0.229 1.00 0.00 H new ATOM 74 N ASP A 7 9.707 10.017 2.287 1.00 0.00 N ATOM 75 CA ASP A 7 8.660 9.037 2.690 1.00 0.00 C ATOM 76 C ASP A 7 9.040 7.632 2.214 1.00 0.00 C ATOM 77 O ASP A 7 8.402 7.078 1.340 1.00 0.00 O ATOM 78 CB ASP A 7 7.376 9.508 2.004 1.00 0.00 C ATOM 79 CG ASP A 7 6.326 9.848 3.062 1.00 0.00 C ATOM 80 OD1 ASP A 7 6.584 10.734 3.861 1.00 0.00 O ATOM 81 OD2 ASP A 7 5.283 9.218 3.057 1.00 0.00 O ATOM 0 H ASP A 7 10.568 9.606 1.926 1.00 0.00 H new ATOM 0 HA ASP A 7 8.542 8.986 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.581 10.382 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.000 8.730 1.340 1.00 0.00 H new ATOM 86 N PRO A 8 10.073 7.104 2.811 1.00 0.00 N ATOM 87 CA PRO A 8 10.553 5.748 2.451 1.00 0.00 C ATOM 88 C PRO A 8 9.593 4.680 2.980 1.00 0.00 C ATOM 89 O PRO A 8 9.585 3.557 2.515 1.00 0.00 O ATOM 90 CB PRO A 8 11.909 5.652 3.144 1.00 0.00 C ATOM 91 CG PRO A 8 11.831 6.619 4.282 1.00 0.00 C ATOM 92 CD PRO A 8 10.885 7.716 3.868 1.00 0.00 C ATOM 0 HA PRO A 8 10.617 5.589 1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.100 4.639 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.720 5.909 2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.474 6.123 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.816 7.026 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.268 8.048 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.423 8.590 3.502 1.00 0.00 H new ATOM 100 N ARG A 9 8.779 5.015 3.946 1.00 0.00 N ATOM 101 CA ARG A 9 7.828 4.016 4.489 1.00 0.00 C ATOM 102 C ARG A 9 6.867 3.567 3.391 1.00 0.00 C ATOM 103 O ARG A 9 6.178 2.574 3.518 1.00 0.00 O ATOM 104 CB ARG A 9 7.090 4.746 5.610 1.00 0.00 C ATOM 105 CG ARG A 9 6.672 6.139 5.140 1.00 0.00 C ATOM 106 CD ARG A 9 7.526 7.193 5.846 1.00 0.00 C ATOM 107 NE ARG A 9 6.562 8.243 6.276 1.00 0.00 N ATOM 108 CZ ARG A 9 6.508 8.607 7.528 1.00 0.00 C ATOM 109 NH1 ARG A 9 6.196 7.735 8.447 1.00 0.00 N ATOM 110 NH2 ARG A 9 6.766 9.842 7.861 1.00 0.00 N ATOM 0 H ARG A 9 8.736 5.938 4.379 1.00 0.00 H new ATOM 0 HA ARG A 9 8.322 3.117 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.211 4.175 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.732 4.827 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.793 6.221 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.617 6.306 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.053 6.767 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.282 7.602 5.176 1.00 0.00 H new ATOM 0 HE ARG A 9 5.943 8.678 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.995 6.770 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.154 8.019 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.010 10.524 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.724 10.126 8.840 1.00 0.00 H new ATOM 124 N LEU A 10 6.836 4.281 2.302 1.00 0.00 N ATOM 125 CA LEU A 10 5.943 3.885 1.177 1.00 0.00 C ATOM 126 C LEU A 10 6.511 2.632 0.519 1.00 0.00 C ATOM 127 O LEU A 10 5.840 1.631 0.372 1.00 0.00 O ATOM 128 CB LEU A 10 5.970 5.066 0.203 1.00 0.00 C ATOM 129 CG LEU A 10 5.540 4.602 -1.191 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.451 5.534 -1.726 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.747 4.639 -2.133 1.00 0.00 C ATOM 0 H LEU A 10 7.390 5.122 2.141 1.00 0.00 H new ATOM 0 HA LEU A 10 4.925 3.663 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.304 5.854 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.973 5.491 0.161 1.00 0.00 H new ATOM 0 HG LEU A 10 5.152 3.585 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.145 5.204 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.592 5.513 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.839 6.551 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.443 4.309 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.132 5.657 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.525 3.977 -1.753 1.00 0.00 H new ATOM 143 N ILE A 11 7.756 2.680 0.138 1.00 0.00 N ATOM 144 CA ILE A 11 8.381 1.491 -0.490 1.00 0.00 C ATOM 145 C ILE A 11 8.359 0.340 0.515 1.00 0.00 C ATOM 146 O ILE A 11 8.096 -0.794 0.170 1.00 0.00 O ATOM 147 CB ILE A 11 9.811 1.945 -0.844 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.937 2.065 -2.365 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.852 0.943 -0.331 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.875 0.672 -2.994 1.00 0.00 C ATOM 0 H ILE A 11 8.365 3.492 0.235 1.00 0.00 H new ATOM 0 HA ILE A 11 7.866 1.132 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 11 9.995 2.908 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.135 2.689 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.877 2.552 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.851 1.289 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.772 0.858 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.674 -0.032 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.965 0.757 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.692 0.062 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.924 0.202 -2.745 1.00 0.00 H new ATOM 162 N GLU A 12 8.616 0.625 1.762 1.00 0.00 N ATOM 163 CA GLU A 12 8.587 -0.452 2.777 1.00 0.00 C ATOM 164 C GLU A 12 7.218 -1.118 2.755 1.00 0.00 C ATOM 165 O GLU A 12 7.101 -2.313 2.565 1.00 0.00 O ATOM 166 CB GLU A 12 8.838 0.234 4.108 1.00 0.00 C ATOM 167 CG GLU A 12 10.146 -0.282 4.710 1.00 0.00 C ATOM 168 CD GLU A 12 9.838 -1.290 5.818 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.772 -1.192 6.404 1.00 0.00 O ATOM 170 OE2 GLU A 12 10.673 -2.146 6.063 1.00 0.00 O ATOM 0 H GLU A 12 8.843 1.554 2.116 1.00 0.00 H new ATOM 0 HA GLU A 12 9.332 -1.226 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.891 1.314 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.010 0.041 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.754 -0.751 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.726 0.549 5.111 1.00 0.00 H new ATOM 177 N SER A 13 6.170 -0.355 2.924 1.00 0.00 N ATOM 178 CA SER A 13 4.824 -0.952 2.882 1.00 0.00 C ATOM 179 C SER A 13 4.615 -1.579 1.509 1.00 0.00 C ATOM 180 O SER A 13 4.173 -2.704 1.391 1.00 0.00 O ATOM 181 CB SER A 13 3.866 0.217 3.115 1.00 0.00 C ATOM 182 OG SER A 13 3.589 0.329 4.505 1.00 0.00 O ATOM 0 H SER A 13 6.198 0.651 3.088 1.00 0.00 H new ATOM 0 HA SER A 13 4.669 -1.734 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.307 1.143 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.941 0.060 2.560 1.00 0.00 H new ATOM 0 HG SER A 13 2.690 0.697 4.631 1.00 0.00 H new ATOM 188 N LEU A 14 4.963 -0.874 0.465 1.00 0.00 N ATOM 189 CA LEU A 14 4.812 -1.463 -0.890 1.00 0.00 C ATOM 190 C LEU A 14 5.668 -2.723 -0.986 1.00 0.00 C ATOM 191 O LEU A 14 5.347 -3.653 -1.699 1.00 0.00 O ATOM 192 CB LEU A 14 5.319 -0.400 -1.851 1.00 0.00 C ATOM 193 CG LEU A 14 4.421 -0.394 -3.080 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.406 1.002 -3.686 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.956 -1.397 -4.100 1.00 0.00 C ATOM 0 H LEU A 14 5.341 0.073 0.494 1.00 0.00 H new ATOM 0 HA LEU A 14 3.783 -1.742 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.312 0.579 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.350 -0.608 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 14 3.406 -0.674 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.764 1.010 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.025 1.713 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.419 1.285 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.315 -1.396 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.970 -1.118 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.965 -2.394 -3.660 1.00 0.00 H new ATOM 207 N SER A 15 6.759 -2.761 -0.268 1.00 0.00 N ATOM 208 CA SER A 15 7.632 -3.956 -0.312 1.00 0.00 C ATOM 209 C SER A 15 6.881 -5.170 0.231 1.00 0.00 C ATOM 210 O SER A 15 6.919 -6.240 -0.342 1.00 0.00 O ATOM 211 CB SER A 15 8.823 -3.614 0.581 1.00 0.00 C ATOM 212 OG SER A 15 9.999 -3.542 -0.215 1.00 0.00 O ATOM 0 H SER A 15 7.078 -2.012 0.346 1.00 0.00 H new ATOM 0 HA SER A 15 7.947 -4.203 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.653 -2.663 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.940 -4.371 1.357 1.00 0.00 H new ATOM 0 HG SER A 15 10.766 -3.321 0.354 1.00 0.00 H new ATOM 218 N GLN A 16 6.197 -5.019 1.335 1.00 0.00 N ATOM 219 CA GLN A 16 5.456 -6.165 1.900 1.00 0.00 C ATOM 220 C GLN A 16 4.345 -6.599 0.942 1.00 0.00 C ATOM 221 O GLN A 16 3.940 -7.744 0.930 1.00 0.00 O ATOM 222 CB GLN A 16 4.909 -5.649 3.238 1.00 0.00 C ATOM 223 CG GLN A 16 3.531 -5.004 3.052 1.00 0.00 C ATOM 224 CD GLN A 16 2.446 -5.983 3.501 1.00 0.00 C ATOM 225 OE1 GLN A 16 2.193 -6.130 4.682 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.786 -6.664 2.605 1.00 0.00 N ATOM 0 H GLN A 16 6.125 -4.149 1.863 1.00 0.00 H new ATOM 0 HA GLN A 16 6.076 -7.049 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.837 -6.473 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.601 -4.922 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.467 -4.083 3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.382 -4.734 2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.997 -6.542 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.059 -7.318 2.895 1.00 0.00 H new ATOM 235 N MET A 17 3.863 -5.704 0.126 1.00 0.00 N ATOM 236 CA MET A 17 2.805 -6.085 -0.831 1.00 0.00 C ATOM 237 C MET A 17 3.435 -6.852 -1.988 1.00 0.00 C ATOM 238 O MET A 17 2.823 -7.719 -2.580 1.00 0.00 O ATOM 239 CB MET A 17 2.227 -4.758 -1.296 1.00 0.00 C ATOM 240 CG MET A 17 1.647 -4.020 -0.093 1.00 0.00 C ATOM 241 SD MET A 17 0.017 -3.382 -0.529 1.00 0.00 S ATOM 242 CE MET A 17 0.553 -1.726 -1.029 1.00 0.00 C ATOM 0 H MET A 17 4.159 -4.729 0.085 1.00 0.00 H new ATOM 0 HA MET A 17 2.036 -6.729 -0.404 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.002 -4.155 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.452 -4.926 -2.044 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.572 -4.692 0.762 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.305 -3.203 0.201 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.270 -1.211 -1.525 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.857 -1.160 -0.148 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.395 -1.808 -1.716 1.00 0.00 H new ATOM 252 N LEU A 18 4.669 -6.557 -2.300 1.00 0.00 N ATOM 253 CA LEU A 18 5.341 -7.294 -3.400 1.00 0.00 C ATOM 254 C LEU A 18 5.447 -8.760 -3.011 1.00 0.00 C ATOM 255 O LEU A 18 5.442 -9.645 -3.843 1.00 0.00 O ATOM 256 CB LEU A 18 6.726 -6.659 -3.531 1.00 0.00 C ATOM 257 CG LEU A 18 7.465 -7.283 -4.716 1.00 0.00 C ATOM 258 CD1 LEU A 18 8.081 -6.176 -5.574 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.574 -8.202 -4.198 1.00 0.00 C ATOM 0 H LEU A 18 5.234 -5.842 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 18 4.799 -7.239 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.632 -5.583 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.295 -6.810 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 18 6.764 -7.861 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.608 -6.621 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.292 -5.520 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.782 -5.598 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.101 -8.647 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.275 -7.623 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.137 -8.991 -3.586 1.00 0.00 H new ATOM 271 N SER A 19 5.517 -9.018 -1.739 1.00 0.00 N ATOM 272 CA SER A 19 5.595 -10.427 -1.268 1.00 0.00 C ATOM 273 C SER A 19 4.236 -10.838 -0.706 1.00 0.00 C ATOM 274 O SER A 19 4.134 -11.666 0.176 1.00 0.00 O ATOM 275 CB SER A 19 6.660 -10.431 -0.173 1.00 0.00 C ATOM 276 OG SER A 19 7.933 -10.181 -0.756 1.00 0.00 O ATOM 0 H SER A 19 5.524 -8.313 -1.002 1.00 0.00 H new ATOM 0 HA SER A 19 5.849 -11.127 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.433 -9.670 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.665 -11.392 0.342 1.00 0.00 H new ATOM 0 HG SER A 19 8.619 -10.181 -0.056 1.00 0.00 H new ATOM 282 N MET A 20 3.190 -10.250 -1.216 1.00 0.00 N ATOM 283 CA MET A 20 1.827 -10.583 -0.726 1.00 0.00 C ATOM 284 C MET A 20 1.051 -11.362 -1.781 1.00 0.00 C ATOM 285 O MET A 20 0.694 -12.508 -1.593 1.00 0.00 O ATOM 286 CB MET A 20 1.169 -9.237 -0.468 1.00 0.00 C ATOM 287 CG MET A 20 0.993 -9.038 1.037 1.00 0.00 C ATOM 288 SD MET A 20 -0.215 -10.230 1.665 1.00 0.00 S ATOM 289 CE MET A 20 0.800 -10.900 3.004 1.00 0.00 C ATOM 0 H MET A 20 3.223 -9.549 -1.956 1.00 0.00 H new ATOM 0 HA MET A 20 1.853 -11.209 0.166 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.780 -8.436 -0.883 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.201 -9.191 -0.968 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.948 -9.169 1.546 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.658 -8.021 1.244 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.239 -11.669 3.536 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.709 -11.336 2.589 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.064 -10.100 3.695 1.00 0.00 H new ATOM 299 N GLY A 21 0.774 -10.733 -2.876 1.00 0.00 N ATOM 300 CA GLY A 21 0.005 -11.394 -3.951 1.00 0.00 C ATOM 301 C GLY A 21 -1.151 -10.486 -4.302 1.00 0.00 C ATOM 302 O GLY A 21 -2.297 -10.890 -4.341 1.00 0.00 O ATOM 0 H GLY A 21 1.052 -9.772 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.635 -11.568 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.358 -12.367 -3.621 1.00 0.00 H new ATOM 306 N PHE A 22 -0.857 -9.241 -4.495 1.00 0.00 N ATOM 307 CA PHE A 22 -1.923 -8.266 -4.773 1.00 0.00 C ATOM 308 C PHE A 22 -1.908 -7.748 -6.205 1.00 0.00 C ATOM 309 O PHE A 22 -1.106 -8.132 -7.032 1.00 0.00 O ATOM 310 CB PHE A 22 -1.635 -7.145 -3.793 1.00 0.00 C ATOM 311 CG PHE A 22 -2.063 -7.583 -2.427 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.254 -8.294 -2.266 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.272 -7.275 -1.320 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.654 -8.699 -0.997 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.677 -7.677 -0.049 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.870 -8.392 0.109 1.00 0.00 C ATOM 0 H PHE A 22 0.087 -8.856 -4.471 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.911 -8.711 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.572 -6.903 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.169 -6.241 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.864 -8.529 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.350 -6.727 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.573 -9.252 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.072 -7.437 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.182 -8.706 1.094 1.00 0.00 H new ATOM 326 N SER A 23 -2.832 -6.877 -6.477 1.00 0.00 N ATOM 327 CA SER A 23 -2.975 -6.287 -7.825 1.00 0.00 C ATOM 328 C SER A 23 -2.482 -4.840 -7.842 1.00 0.00 C ATOM 329 O SER A 23 -1.574 -4.467 -7.126 1.00 0.00 O ATOM 330 CB SER A 23 -4.478 -6.315 -8.090 1.00 0.00 C ATOM 331 OG SER A 23 -4.724 -6.884 -9.369 1.00 0.00 O ATOM 0 H SER A 23 -3.514 -6.541 -5.797 1.00 0.00 H new ATOM 0 HA SER A 23 -2.395 -6.830 -8.571 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.983 -6.896 -7.319 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.885 -5.305 -8.045 1.00 0.00 H new ATOM 0 HG SER A 23 -5.689 -6.903 -9.538 1.00 0.00 H new ATOM 337 N ASP A 24 -3.094 -4.022 -8.655 1.00 0.00 N ATOM 338 CA ASP A 24 -2.692 -2.594 -8.731 1.00 0.00 C ATOM 339 C ASP A 24 -3.822 -1.771 -9.354 1.00 0.00 C ATOM 340 O ASP A 24 -3.589 -0.906 -10.171 1.00 0.00 O ATOM 341 CB ASP A 24 -1.456 -2.574 -9.625 1.00 0.00 C ATOM 342 CG ASP A 24 -0.512 -1.459 -9.171 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.899 -0.704 -8.294 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.579 -1.378 -9.709 1.00 0.00 O ATOM 0 H ASP A 24 -3.861 -4.287 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.485 -2.166 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.946 -3.537 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.748 -2.417 -10.663 1.00 0.00 H new ATOM 349 N GLU A 25 -5.046 -2.033 -8.974 1.00 0.00 N ATOM 350 CA GLU A 25 -6.181 -1.253 -9.547 1.00 0.00 C ATOM 351 C GLU A 25 -5.831 0.233 -9.523 1.00 0.00 C ATOM 352 O GLU A 25 -5.341 0.744 -8.535 1.00 0.00 O ATOM 353 CB GLU A 25 -7.368 -1.544 -8.628 1.00 0.00 C ATOM 354 CG GLU A 25 -8.574 -1.967 -9.468 1.00 0.00 C ATOM 355 CD GLU A 25 -8.185 -3.147 -10.361 1.00 0.00 C ATOM 356 OE1 GLU A 25 -7.221 -3.819 -10.034 1.00 0.00 O ATOM 357 OE2 GLU A 25 -8.857 -3.358 -11.356 1.00 0.00 O ATOM 0 H GLU A 25 -5.307 -2.749 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.402 -1.521 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.109 -2.333 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.613 -0.658 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.403 -2.247 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.916 -1.132 -10.079 1.00 0.00 H new ATOM 364 N GLY A 26 -6.053 0.934 -10.601 1.00 0.00 N ATOM 365 CA GLY A 26 -5.698 2.380 -10.613 1.00 0.00 C ATOM 366 C GLY A 26 -4.282 2.524 -10.059 1.00 0.00 C ATOM 367 O GLY A 26 -3.906 3.549 -9.526 1.00 0.00 O ATOM 0 H GLY A 26 -6.460 0.573 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.753 2.777 -11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.403 2.950 -10.009 1.00 0.00 H new ATOM 371 N GLY A 27 -3.496 1.487 -10.184 1.00 0.00 N ATOM 372 CA GLY A 27 -2.103 1.524 -9.673 1.00 0.00 C ATOM 373 C GLY A 27 -2.106 1.859 -8.182 1.00 0.00 C ATOM 374 O GLY A 27 -1.442 2.779 -7.748 1.00 0.00 O ATOM 0 H GLY A 27 -3.767 0.608 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.620 0.561 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.525 2.268 -10.221 1.00 0.00 H new ATOM 378 N TRP A 28 -2.847 1.131 -7.383 1.00 0.00 N ATOM 379 CA TRP A 28 -2.873 1.438 -5.937 1.00 0.00 C ATOM 380 C TRP A 28 -1.675 0.814 -5.220 1.00 0.00 C ATOM 381 O TRP A 28 -1.200 1.344 -4.240 1.00 0.00 O ATOM 382 CB TRP A 28 -4.199 0.880 -5.422 1.00 0.00 C ATOM 383 CG TRP A 28 -4.246 -0.604 -5.499 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.058 -1.293 -6.310 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.517 -1.583 -4.730 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.858 -2.649 -6.110 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.915 -2.875 -5.139 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.556 -1.476 -3.736 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.370 -4.018 -4.570 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -2.014 -2.607 -3.159 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.411 -3.881 -3.566 1.00 0.00 C ATOM 0 H TRP A 28 -3.428 0.345 -7.675 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.800 2.509 -5.749 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.348 1.194 -4.389 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.019 1.299 -6.004 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.758 -0.860 -7.009 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.348 -3.385 -6.619 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.229 -0.500 -3.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.683 -4.998 -4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.272 -2.504 -2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.978 -4.757 -3.106 1.00 0.00 H new ATOM 402 N LEU A 29 -1.152 -0.282 -5.688 1.00 0.00 N ATOM 403 CA LEU A 29 0.028 -0.850 -4.984 1.00 0.00 C ATOM 404 C LEU A 29 1.047 0.273 -4.774 1.00 0.00 C ATOM 405 O LEU A 29 1.843 0.248 -3.856 1.00 0.00 O ATOM 406 CB LEU A 29 0.569 -1.944 -5.903 1.00 0.00 C ATOM 407 CG LEU A 29 0.379 -3.299 -5.216 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.008 -4.406 -6.062 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.051 -3.268 -3.842 1.00 0.00 C ATOM 0 H LEU A 29 -1.479 -0.798 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.208 -1.267 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.045 -1.928 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.624 -1.772 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.687 -3.497 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.868 -5.367 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.531 -4.431 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.074 -4.211 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.918 -4.231 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.115 -3.066 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.599 -2.484 -3.234 1.00 0.00 H new ATOM 421 N THR A 30 0.996 1.277 -5.612 1.00 0.00 N ATOM 422 CA THR A 30 1.924 2.435 -5.467 1.00 0.00 C ATOM 423 C THR A 30 1.188 3.622 -4.825 1.00 0.00 C ATOM 424 O THR A 30 1.740 4.345 -4.021 1.00 0.00 O ATOM 425 CB THR A 30 2.356 2.782 -6.893 1.00 0.00 C ATOM 426 OG1 THR A 30 3.036 1.673 -7.463 1.00 0.00 O ATOM 427 CG2 THR A 30 3.287 3.995 -6.862 1.00 0.00 C ATOM 0 H THR A 30 0.346 1.343 -6.395 1.00 0.00 H new ATOM 0 HA THR A 30 2.777 2.203 -4.830 1.00 0.00 H new ATOM 0 HB THR A 30 1.477 3.016 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.312 1.893 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.595 4.243 -7.878 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.763 4.845 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.167 3.763 -6.262 1.00 0.00 H new ATOM 435 N ARG A 31 -0.053 3.828 -5.189 1.00 0.00 N ATOM 436 CA ARG A 31 -0.832 4.971 -4.616 1.00 0.00 C ATOM 437 C ARG A 31 -1.588 4.533 -3.359 1.00 0.00 C ATOM 438 O ARG A 31 -1.663 5.269 -2.395 1.00 0.00 O ATOM 439 CB ARG A 31 -1.812 5.369 -5.721 1.00 0.00 C ATOM 440 CG ARG A 31 -2.326 6.788 -5.463 1.00 0.00 C ATOM 441 CD ARG A 31 -3.373 7.151 -6.520 1.00 0.00 C ATOM 442 NE ARG A 31 -4.650 7.290 -5.767 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.789 7.083 -6.371 1.00 0.00 C ATOM 444 NH1 ARG A 31 -6.283 7.996 -7.161 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.433 5.963 -6.184 1.00 0.00 N ATOM 0 H ARG A 31 -0.562 3.253 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.188 5.799 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.320 5.320 -6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.647 4.669 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.762 6.853 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.499 7.497 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.113 8.078 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.448 6.377 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.635 7.547 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.780 8.871 -7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.173 7.835 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.046 5.250 -5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.323 5.801 -6.656 1.00 0.00 H new ATOM 459 N LEU A 32 -2.146 3.344 -3.366 1.00 0.00 N ATOM 460 CA LEU A 32 -2.897 2.842 -2.171 1.00 0.00 C ATOM 461 C LEU A 32 -2.225 3.362 -0.899 1.00 0.00 C ATOM 462 O LEU A 32 -2.754 4.193 -0.187 1.00 0.00 O ATOM 463 CB LEU A 32 -2.769 1.329 -2.217 1.00 0.00 C ATOM 464 CG LEU A 32 -3.502 0.720 -1.023 1.00 0.00 C ATOM 465 CD1 LEU A 32 -4.932 0.362 -1.430 1.00 0.00 C ATOM 466 CD2 LEU A 32 -2.770 -0.545 -0.568 1.00 0.00 C ATOM 0 H LEU A 32 -2.113 2.697 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.937 3.168 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.187 0.946 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.718 1.041 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.527 1.441 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.455 -0.073 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.454 1.262 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.908 -0.359 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.292 -0.981 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.746 -1.265 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.751 -0.291 -0.278 1.00 0.00 H new ATOM 478 N LEU A 33 -1.029 2.892 -0.644 1.00 0.00 N ATOM 479 CA LEU A 33 -0.261 3.363 0.542 1.00 0.00 C ATOM 480 C LEU A 33 -0.421 4.875 0.651 1.00 0.00 C ATOM 481 O LEU A 33 -0.852 5.403 1.657 1.00 0.00 O ATOM 482 CB LEU A 33 1.193 3.009 0.206 1.00 0.00 C ATOM 483 CG LEU A 33 1.729 1.952 1.176 1.00 0.00 C ATOM 484 CD1 LEU A 33 0.673 0.873 1.411 1.00 0.00 C ATOM 485 CD2 LEU A 33 2.980 1.310 0.573 1.00 0.00 C ATOM 0 H LEU A 33 -0.550 2.195 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.587 2.920 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.255 2.637 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.812 3.905 0.257 1.00 0.00 H new ATOM 0 HG LEU A 33 1.972 2.426 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.064 0.126 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.223 1.327 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.424 0.395 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.368 0.556 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.726 0.841 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.738 2.075 0.409 1.00 0.00 H new ATOM 497 N GLN A 34 -0.079 5.570 -0.395 1.00 0.00 N ATOM 498 CA GLN A 34 -0.203 7.041 -0.400 1.00 0.00 C ATOM 499 C GLN A 34 -1.654 7.456 -0.137 1.00 0.00 C ATOM 500 O GLN A 34 -1.916 8.435 0.533 1.00 0.00 O ATOM 501 CB GLN A 34 0.229 7.433 -1.810 1.00 0.00 C ATOM 502 CG GLN A 34 1.719 7.772 -1.813 1.00 0.00 C ATOM 503 CD GLN A 34 1.950 9.066 -2.598 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.744 10.147 -2.084 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.371 8.999 -3.832 1.00 0.00 N ATOM 0 H GLN A 34 0.287 5.169 -1.258 1.00 0.00 H new ATOM 0 HA GLN A 34 0.395 7.524 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.030 6.615 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.350 8.290 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.078 7.886 -0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.287 6.957 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.544 8.091 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.527 9.855 -4.365 1.00 0.00 H new ATOM 514 N THR A 35 -2.600 6.723 -0.663 1.00 0.00 N ATOM 515 CA THR A 35 -4.026 7.080 -0.447 1.00 0.00 C ATOM 516 C THR A 35 -4.416 6.897 1.022 1.00 0.00 C ATOM 517 O THR A 35 -4.956 7.788 1.646 1.00 0.00 O ATOM 518 CB THR A 35 -4.822 6.125 -1.334 1.00 0.00 C ATOM 519 OG1 THR A 35 -3.944 5.184 -1.934 1.00 0.00 O ATOM 520 CG2 THR A 35 -5.541 6.918 -2.425 1.00 0.00 C ATOM 0 H THR A 35 -2.443 5.892 -1.233 1.00 0.00 H new ATOM 0 HA THR A 35 -4.221 8.124 -0.694 1.00 0.00 H new ATOM 0 HB THR A 35 -5.556 5.597 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.195 5.054 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.109 6.235 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.220 7.636 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.808 7.449 -3.032 1.00 0.00 H new ATOM 528 N LYS A 36 -4.153 5.746 1.578 1.00 0.00 N ATOM 529 CA LYS A 36 -4.518 5.507 3.006 1.00 0.00 C ATOM 530 C LYS A 36 -3.297 5.702 3.910 1.00 0.00 C ATOM 531 O LYS A 36 -3.162 5.066 4.935 1.00 0.00 O ATOM 532 CB LYS A 36 -4.998 4.057 3.051 1.00 0.00 C ATOM 533 CG LYS A 36 -6.020 3.892 4.177 1.00 0.00 C ATOM 534 CD LYS A 36 -6.748 2.556 4.014 1.00 0.00 C ATOM 535 CE LYS A 36 -8.139 2.802 3.426 1.00 0.00 C ATOM 536 NZ LYS A 36 -8.097 2.183 2.071 1.00 0.00 N ATOM 0 H LYS A 36 -3.702 4.961 1.107 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.281 6.201 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.446 3.781 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.153 3.388 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.520 3.930 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.736 4.713 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.177 1.896 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.832 2.056 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.915 2.349 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.360 3.868 3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.017 2.310 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.354 2.639 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.891 1.167 2.160 1.00 0.00 H new ATOM 550 N ASN A 37 -2.409 6.585 3.546 1.00 0.00 N ATOM 551 CA ASN A 37 -1.207 6.821 4.390 1.00 0.00 C ATOM 552 C ASN A 37 -0.583 5.490 4.827 1.00 0.00 C ATOM 553 O ASN A 37 -0.516 5.179 6.000 1.00 0.00 O ATOM 554 CB ASN A 37 -1.733 7.594 5.598 1.00 0.00 C ATOM 555 CG ASN A 37 -0.583 7.888 6.561 1.00 0.00 C ATOM 556 OD1 ASN A 37 -0.687 7.634 7.745 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.519 8.417 6.103 1.00 0.00 N ATOM 0 H ASN A 37 -2.465 7.153 2.700 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.427 7.366 3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.195 8.526 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.505 7.015 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.291 8.617 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.608 8.631 5.110 1.00 0.00 H new ATOM 564 N TYR A 38 -0.114 4.712 3.891 1.00 0.00 N ATOM 565 CA TYR A 38 0.521 3.407 4.241 1.00 0.00 C ATOM 566 C TYR A 38 -0.320 2.647 5.263 1.00 0.00 C ATOM 567 O TYR A 38 0.163 2.220 6.293 1.00 0.00 O ATOM 568 CB TYR A 38 1.879 3.789 4.824 1.00 0.00 C ATOM 569 CG TYR A 38 2.555 4.770 3.897 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.182 4.824 2.550 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.552 5.624 4.379 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.794 5.727 1.689 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.170 6.532 3.512 1.00 0.00 C ATOM 574 CZ TYR A 38 3.790 6.586 2.166 1.00 0.00 C ATOM 575 OH TYR A 38 4.391 7.492 1.316 1.00 0.00 O ATOM 0 H TYR A 38 -0.143 4.924 2.894 1.00 0.00 H new ATOM 0 HA TYR A 38 0.612 2.746 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.753 4.231 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.498 2.901 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.415 4.161 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.844 5.583 5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.500 5.766 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.941 7.192 3.882 1.00 0.00 H new ATOM 0 HH TYR A 38 5.028 8.041 1.820 1.00 0.00 H new ATOM 585 N ASP A 39 -1.574 2.463 4.973 1.00 0.00 N ATOM 586 CA ASP A 39 -2.458 1.715 5.909 1.00 0.00 C ATOM 587 C ASP A 39 -2.688 0.303 5.373 1.00 0.00 C ATOM 588 O ASP A 39 -3.655 -0.349 5.712 1.00 0.00 O ATOM 589 CB ASP A 39 -3.769 2.496 5.923 1.00 0.00 C ATOM 590 CG ASP A 39 -3.825 3.380 7.170 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.190 3.028 8.150 1.00 0.00 O ATOM 592 OD2 ASP A 39 -4.500 4.395 7.122 1.00 0.00 O ATOM 0 H ASP A 39 -2.029 2.799 4.124 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.030 1.623 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.848 3.110 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.614 1.808 5.914 1.00 0.00 H new ATOM 597 N ILE A 40 -1.817 -0.164 4.517 1.00 0.00 N ATOM 598 CA ILE A 40 -2.008 -1.528 3.942 1.00 0.00 C ATOM 599 C ILE A 40 -2.476 -2.509 5.011 1.00 0.00 C ATOM 600 O ILE A 40 -3.442 -3.195 4.827 1.00 0.00 O ATOM 601 CB ILE A 40 -0.667 -1.995 3.356 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.515 -1.240 3.971 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.680 -1.776 1.846 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.809 -1.987 3.645 1.00 0.00 C ATOM 0 H ILE A 40 -0.988 0.335 4.193 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.772 -1.491 3.166 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.544 -3.053 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.558 -0.224 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.389 -1.159 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.269 -2.105 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.494 -2.349 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.824 -0.717 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.655 -1.455 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.762 -2.994 4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.933 -2.045 2.564 1.00 0.00 H new ATOM 616 N GLY A 41 -1.821 -2.609 6.122 1.00 0.00 N ATOM 617 CA GLY A 41 -2.310 -3.590 7.128 1.00 0.00 C ATOM 618 C GLY A 41 -3.813 -3.402 7.327 1.00 0.00 C ATOM 619 O GLY A 41 -4.544 -4.348 7.541 1.00 0.00 O ATOM 0 H GLY A 41 -0.991 -2.074 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.100 -4.606 6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.786 -3.451 8.074 1.00 0.00 H new ATOM 623 N ALA A 42 -4.282 -2.194 7.222 1.00 0.00 N ATOM 624 CA ALA A 42 -5.732 -1.946 7.364 1.00 0.00 C ATOM 625 C ALA A 42 -6.358 -1.908 5.975 1.00 0.00 C ATOM 626 O ALA A 42 -7.548 -2.086 5.807 1.00 0.00 O ATOM 627 CB ALA A 42 -5.837 -0.584 8.053 1.00 0.00 C ATOM 0 H ALA A 42 -3.716 -1.365 7.043 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.249 -2.715 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.887 -0.328 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.340 -0.627 9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.359 0.175 7.434 1.00 0.00 H new ATOM 633 N ALA A 43 -5.549 -1.691 4.978 1.00 0.00 N ATOM 634 CA ALA A 43 -6.069 -1.656 3.589 1.00 0.00 C ATOM 635 C ALA A 43 -5.948 -3.044 2.962 1.00 0.00 C ATOM 636 O ALA A 43 -6.748 -3.422 2.132 1.00 0.00 O ATOM 637 CB ALA A 43 -5.183 -0.650 2.854 1.00 0.00 C ATOM 0 H ALA A 43 -4.545 -1.536 5.068 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.120 -1.371 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.507 -0.569 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.262 0.325 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.147 -0.987 2.885 1.00 0.00 H new ATOM 643 N LEU A 44 -4.971 -3.822 3.365 1.00 0.00 N ATOM 644 CA LEU A 44 -4.839 -5.179 2.791 1.00 0.00 C ATOM 645 C LEU A 44 -6.134 -5.926 3.015 1.00 0.00 C ATOM 646 O LEU A 44 -6.528 -6.758 2.226 1.00 0.00 O ATOM 647 CB LEU A 44 -3.686 -5.835 3.512 1.00 0.00 C ATOM 648 CG LEU A 44 -2.807 -6.499 2.465 1.00 0.00 C ATOM 649 CD1 LEU A 44 -1.582 -5.634 2.177 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.376 -7.863 2.974 1.00 0.00 C ATOM 0 H LEU A 44 -4.270 -3.570 4.061 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.646 -5.167 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.117 -5.096 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.051 -6.571 4.228 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.370 -6.615 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.961 -6.121 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.903 -4.660 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.006 -5.502 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.745 -8.347 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.816 -7.745 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.257 -8.478 3.157 1.00 0.00 H new ATOM 662 N ASP A 45 -6.839 -5.596 4.054 1.00 0.00 N ATOM 663 CA ASP A 45 -8.138 -6.257 4.260 1.00 0.00 C ATOM 664 C ASP A 45 -8.958 -6.001 2.996 1.00 0.00 C ATOM 665 O ASP A 45 -9.850 -6.745 2.642 1.00 0.00 O ATOM 666 CB ASP A 45 -8.728 -5.598 5.527 1.00 0.00 C ATOM 667 CG ASP A 45 -9.914 -4.691 5.174 1.00 0.00 C ATOM 668 OD1 ASP A 45 -9.673 -3.580 4.731 1.00 0.00 O ATOM 669 OD2 ASP A 45 -11.039 -5.124 5.353 1.00 0.00 O ATOM 0 H ASP A 45 -6.573 -4.907 4.757 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.101 -7.336 4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.051 -6.370 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.957 -5.015 6.031 1.00 0.00 H new ATOM 674 N THR A 46 -8.602 -4.961 2.295 1.00 0.00 N ATOM 675 CA THR A 46 -9.274 -4.637 1.025 1.00 0.00 C ATOM 676 C THR A 46 -8.417 -5.193 -0.112 1.00 0.00 C ATOM 677 O THR A 46 -8.906 -5.515 -1.176 1.00 0.00 O ATOM 678 CB THR A 46 -9.366 -3.094 0.998 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.725 -2.714 0.841 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.539 -2.502 -0.156 1.00 0.00 C ATOM 0 H THR A 46 -7.859 -4.315 2.561 1.00 0.00 H new ATOM 0 HA THR A 46 -10.270 -5.068 0.920 1.00 0.00 H new ATOM 0 HB THR A 46 -8.966 -2.710 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.792 -1.736 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.626 -1.416 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.493 -2.784 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.911 -2.887 -1.105 1.00 0.00 H new ATOM 688 N ILE A 47 -7.133 -5.330 0.119 1.00 0.00 N ATOM 689 CA ILE A 47 -6.262 -5.890 -0.938 1.00 0.00 C ATOM 690 C ILE A 47 -6.338 -7.420 -0.898 1.00 0.00 C ATOM 691 O ILE A 47 -5.972 -8.092 -1.840 1.00 0.00 O ATOM 692 CB ILE A 47 -4.839 -5.412 -0.663 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.833 -3.950 -0.237 1.00 0.00 C ATOM 694 CG2 ILE A 47 -4.065 -5.510 -1.964 1.00 0.00 C ATOM 695 CD1 ILE A 47 -3.457 -3.586 0.316 1.00 0.00 C ATOM 0 H ILE A 47 -6.663 -5.078 0.988 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.578 -5.560 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.402 -6.020 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.076 -3.312 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.598 -3.778 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.040 -5.175 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.059 -6.545 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.539 -4.881 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.453 -2.540 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.233 -4.216 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.702 -3.743 -0.455 1.00 0.00 H new ATOM 707 N GLN A 48 -6.826 -7.992 0.172 1.00 0.00 N ATOM 708 CA GLN A 48 -6.932 -9.465 0.202 1.00 0.00 C ATOM 709 C GLN A 48 -8.350 -9.878 -0.188 1.00 0.00 C ATOM 710 O GLN A 48 -8.638 -11.043 -0.377 1.00 0.00 O ATOM 711 CB GLN A 48 -6.587 -9.890 1.619 1.00 0.00 C ATOM 712 CG GLN A 48 -5.263 -10.667 1.608 1.00 0.00 C ATOM 713 CD GLN A 48 -5.309 -11.760 0.532 1.00 0.00 C ATOM 714 OE1 GLN A 48 -6.208 -12.576 0.523 1.00 0.00 O ATOM 715 NE2 GLN A 48 -4.370 -11.817 -0.384 1.00 0.00 N ATOM 0 H GLN A 48 -7.148 -7.506 1.009 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.255 -9.946 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.503 -9.015 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.383 -10.512 2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.434 -9.987 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.085 -11.114 2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.613 -11.134 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.398 -12.544 -1.099 1.00 0.00 H new ATOM 724 N TYR A 49 -9.230 -8.916 -0.340 1.00 0.00 N ATOM 725 CA TYR A 49 -10.628 -9.220 -0.751 1.00 0.00 C ATOM 726 C TYR A 49 -11.107 -10.533 -0.125 1.00 0.00 C ATOM 727 O TYR A 49 -11.006 -11.588 -0.720 1.00 0.00 O ATOM 728 CB TYR A 49 -10.548 -9.339 -2.272 1.00 0.00 C ATOM 729 CG TYR A 49 -9.821 -8.136 -2.839 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.427 -8.045 -2.731 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.541 -7.114 -3.470 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.751 -6.933 -3.257 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.866 -6.003 -3.994 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.472 -5.914 -3.888 1.00 0.00 C ATOM 735 OH TYR A 49 -7.811 -4.819 -4.407 1.00 0.00 O ATOM 0 H TYR A 49 -9.032 -7.926 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.336 -8.457 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.026 -10.255 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.551 -9.403 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.872 -8.832 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.616 -7.182 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.676 -6.864 -3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.421 -5.215 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.460 -4.206 -4.811 1.00 0.00 H new ATOM 745 N SER A 50 -11.628 -10.478 1.070 1.00 0.00 N ATOM 746 CA SER A 50 -12.112 -11.726 1.729 1.00 0.00 C ATOM 747 C SER A 50 -13.416 -12.195 1.078 1.00 0.00 C ATOM 748 O SER A 50 -13.450 -13.188 0.380 1.00 0.00 O ATOM 749 CB SER A 50 -12.351 -11.336 3.186 1.00 0.00 C ATOM 750 OG SER A 50 -13.239 -12.272 3.783 1.00 0.00 O ATOM 0 H SER A 50 -11.740 -9.625 1.618 1.00 0.00 H new ATOM 0 HA SER A 50 -11.399 -12.545 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.406 -11.316 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.771 -10.332 3.241 1.00 0.00 H new ATOM 0 HG SER A 50 -13.393 -12.026 4.719 1.00 0.00 H new ATOM 756 N LYS A 51 -14.488 -11.484 1.301 1.00 0.00 N ATOM 757 CA LYS A 51 -15.792 -11.884 0.696 1.00 0.00 C ATOM 758 C LYS A 51 -15.979 -13.401 0.791 1.00 0.00 C ATOM 759 O LYS A 51 -15.528 -14.147 -0.056 1.00 0.00 O ATOM 760 CB LYS A 51 -15.702 -11.442 -0.764 1.00 0.00 C ATOM 761 CG LYS A 51 -16.081 -9.965 -0.873 1.00 0.00 C ATOM 762 CD LYS A 51 -14.814 -9.122 -1.035 1.00 0.00 C ATOM 763 CE LYS A 51 -15.015 -8.112 -2.166 1.00 0.00 C ATOM 764 NZ LYS A 51 -14.839 -8.898 -3.418 1.00 0.00 N ATOM 0 H LYS A 51 -14.518 -10.642 1.877 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.641 -11.430 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.691 -11.598 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.368 -12.046 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.744 -9.811 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.627 -9.652 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.589 -8.602 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.962 -9.765 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.005 -7.659 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.290 -7.300 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.038 -8.514 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.651 -9.893 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.705 -8.837 -3.991 1.00 0.00 H new ATOM 778 N HIS A 52 -16.643 -13.863 1.815 1.00 0.00 N ATOM 779 CA HIS A 52 -16.860 -15.332 1.963 1.00 0.00 C ATOM 780 C HIS A 52 -15.516 -16.064 2.018 1.00 0.00 C ATOM 781 O HIS A 52 -15.095 -16.405 3.110 1.00 0.00 O ATOM 782 CB HIS A 52 -17.643 -15.742 0.715 1.00 0.00 C ATOM 783 CG HIS A 52 -19.065 -16.050 1.095 1.00 0.00 C ATOM 784 ND1 HIS A 52 -19.675 -17.250 0.764 1.00 0.00 N ATOM 785 CD2 HIS A 52 -20.009 -15.325 1.779 1.00 0.00 C ATOM 786 CE1 HIS A 52 -20.931 -17.211 1.244 1.00 0.00 C ATOM 787 NE2 HIS A 52 -21.187 -16.059 1.872 1.00 0.00 N ATOM 788 OXT HIS A 52 -14.932 -16.269 0.966 1.00 0.00 O ATOM 0 H HIS A 52 -17.045 -13.288 2.556 1.00 0.00 H new ATOM 0 HA HIS A 52 -17.393 -15.581 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -17.618 -14.940 -0.023 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -17.181 -16.615 0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -19.860 -14.335 2.184 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -21.646 -18.013 1.135 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -22.058 -15.779 2.322 1.00 0.00 H new TER 796 HIS A 52