USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 717 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 5 LYS NZ :NH3+ 163:sc= -0.0447 (180deg=-0.414) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 56:sc= 0.797 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.42 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -47:sc= 0.253 USER MOD Single : A 26 HIS : no HD1:sc=-0.000689 K(o=-0.00069,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -86:sc= 0.765 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -76:sc= 0.837 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.995! C(o=-0.99!,f=-7.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 108:sc= 0.535 USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= 0.0537 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.9!) USER MOD Single : A 61 GLN : amide:sc= -1.92! C(o=-1.9!,f=-2.1!) USER MOD Single : A 63 SER OG : rot 180:sc= -1 USER MOD Single : A 70 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 77 ASN : amide:sc= -0.0787 K(o=-0.079,f=-2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 11:sc= -0.384 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.409 -2.217 -2.230 1.00 0.00 N ATOM 15 CA ASP A 2 -10.209 -3.690 -2.343 1.00 0.00 C ATOM 16 C ASP A 2 -8.740 -4.030 -2.070 1.00 0.00 C ATOM 17 O ASP A 2 -7.838 -3.399 -2.586 1.00 0.00 O ATOM 18 CB ASP A 2 -10.589 -4.158 -3.748 1.00 0.00 C ATOM 19 CG ASP A 2 -10.448 -5.679 -3.830 1.00 0.00 C ATOM 20 OD1 ASP A 2 -9.938 -6.256 -2.883 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.848 -6.239 -4.835 1.00 0.00 O ATOM 0 HA ASP A 2 -10.841 -4.195 -1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.613 -3.863 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.947 -3.681 -4.489 1.00 0.00 H new ATOM 26 N LEU A 3 -8.497 -5.021 -1.255 1.00 0.00 N ATOM 27 CA LEU A 3 -7.094 -5.406 -0.935 1.00 0.00 C ATOM 28 C LEU A 3 -6.449 -6.060 -2.159 1.00 0.00 C ATOM 29 O LEU A 3 -6.972 -7.002 -2.720 1.00 0.00 O ATOM 30 CB LEU A 3 -7.110 -6.395 0.235 1.00 0.00 C ATOM 31 CG LEU A 3 -5.691 -6.883 0.549 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.769 -5.689 0.845 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.754 -7.804 1.769 1.00 0.00 C ATOM 0 H LEU A 3 -9.214 -5.582 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.518 -4.522 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.539 -5.918 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.747 -7.245 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.290 -7.422 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.765 -6.051 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.735 -5.032 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.153 -5.137 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.752 -8.161 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.155 -7.254 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.400 -8.654 1.550 1.00 0.00 H new ATOM 45 N VAL A 4 -5.305 -5.568 -2.567 1.00 0.00 N ATOM 46 CA VAL A 4 -4.602 -6.154 -3.750 1.00 0.00 C ATOM 47 C VAL A 4 -3.098 -6.222 -3.471 1.00 0.00 C ATOM 48 O VAL A 4 -2.590 -5.578 -2.573 1.00 0.00 O ATOM 49 CB VAL A 4 -4.861 -5.288 -4.983 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.349 -5.338 -5.329 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.451 -3.841 -4.694 1.00 0.00 C ATOM 0 H VAL A 4 -4.826 -4.781 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.979 -7.160 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.276 -5.665 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.539 -4.722 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.640 -6.368 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.931 -4.960 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.637 -3.227 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.033 -3.458 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.390 -3.806 -4.445 1.00 0.00 H new ATOM 61 N LYS A 5 -2.388 -7.008 -4.230 1.00 0.00 N ATOM 62 CA LYS A 5 -0.919 -7.141 -4.017 1.00 0.00 C ATOM 63 C LYS A 5 -0.186 -5.936 -4.611 1.00 0.00 C ATOM 64 O LYS A 5 -0.666 -5.287 -5.521 1.00 0.00 O ATOM 65 CB LYS A 5 -0.428 -8.416 -4.698 1.00 0.00 C ATOM 66 CG LYS A 5 -0.995 -9.631 -3.963 1.00 0.00 C ATOM 67 CD LYS A 5 -0.546 -10.909 -4.670 1.00 0.00 C ATOM 68 CE LYS A 5 -1.018 -12.125 -3.873 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.506 -12.147 -3.834 1.00 0.00 N ATOM 0 H LYS A 5 -2.764 -7.568 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.716 -7.186 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.742 -8.429 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.661 -8.449 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.653 -9.636 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.084 -9.579 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.955 -10.942 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.540 -10.922 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.642 -13.041 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.618 -12.087 -2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.832 -13.094 -3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.846 -11.447 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.881 -11.915 -4.776 1.00 0.00 H new ATOM 83 N ILE A 6 0.971 -5.629 -4.092 1.00 0.00 N ATOM 84 CA ILE A 6 1.744 -4.466 -4.609 1.00 0.00 C ATOM 85 C ILE A 6 2.120 -4.713 -6.075 1.00 0.00 C ATOM 86 O ILE A 6 2.031 -3.832 -6.907 1.00 0.00 O ATOM 87 CB ILE A 6 3.018 -4.289 -3.776 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.638 -3.857 -2.356 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.906 -3.217 -4.415 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.874 -3.888 -1.455 1.00 0.00 C ATOM 0 H ILE A 6 1.416 -6.137 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 6 1.136 -3.564 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 6 3.562 -5.233 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.214 -2.853 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.870 -4.520 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.811 -3.093 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.175 -3.522 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.365 -2.272 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.597 -3.580 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.279 -4.900 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.628 -3.207 -1.848 1.00 0.00 H new ATOM 102 N ARG A 7 2.558 -5.901 -6.391 1.00 0.00 N ATOM 103 CA ARG A 7 2.961 -6.206 -7.796 1.00 0.00 C ATOM 104 C ARG A 7 1.736 -6.167 -8.715 1.00 0.00 C ATOM 105 O ARG A 7 1.859 -6.066 -9.919 1.00 0.00 O ATOM 106 CB ARG A 7 3.596 -7.598 -7.847 1.00 0.00 C ATOM 107 CG ARG A 7 4.302 -7.789 -9.190 1.00 0.00 C ATOM 108 CD ARG A 7 4.946 -9.176 -9.231 1.00 0.00 C ATOM 109 NE ARG A 7 5.784 -9.302 -10.459 1.00 0.00 N ATOM 110 CZ ARG A 7 5.252 -9.686 -11.590 1.00 0.00 C ATOM 111 NH1 ARG A 7 3.974 -9.948 -11.658 1.00 0.00 N ATOM 112 NH2 ARG A 7 5.998 -9.806 -12.652 1.00 0.00 N ATOM 0 H ARG A 7 2.655 -6.677 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 7 3.680 -5.460 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.308 -7.714 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.831 -8.363 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.588 -7.683 -10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.061 -7.019 -9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.559 -9.330 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.175 -9.946 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 7 6.780 -9.087 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.389 -9.853 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.561 -10.247 -12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.996 -9.600 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.584 -10.106 -13.535 1.00 0.00 H new ATOM 126 N ASP A 8 0.557 -6.254 -8.161 1.00 0.00 N ATOM 127 CA ASP A 8 -0.678 -6.227 -9.006 1.00 0.00 C ATOM 128 C ASP A 8 -1.180 -4.786 -9.146 1.00 0.00 C ATOM 129 O ASP A 8 -2.206 -4.534 -9.742 1.00 0.00 O ATOM 130 CB ASP A 8 -1.764 -7.078 -8.343 1.00 0.00 C ATOM 131 CG ASP A 8 -1.358 -8.551 -8.387 1.00 0.00 C ATOM 132 OD1 ASP A 8 -0.448 -8.872 -9.132 1.00 0.00 O ATOM 133 OD2 ASP A 8 -1.967 -9.335 -7.676 1.00 0.00 O ATOM 0 H ASP A 8 0.393 -6.343 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.447 -6.626 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.909 -6.761 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.715 -6.937 -8.856 1.00 0.00 H new ATOM 138 N VAL A 9 -0.470 -3.843 -8.588 1.00 0.00 N ATOM 139 CA VAL A 9 -0.908 -2.419 -8.674 1.00 0.00 C ATOM 140 C VAL A 9 -0.824 -1.927 -10.120 1.00 0.00 C ATOM 141 O VAL A 9 0.157 -2.133 -10.806 1.00 0.00 O ATOM 142 CB VAL A 9 -0.006 -1.560 -7.785 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.321 -0.077 -8.008 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.257 -1.920 -6.318 1.00 0.00 C ATOM 0 H VAL A 9 0.398 -3.998 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.941 -2.340 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 9 1.038 -1.747 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.323 0.531 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.147 0.179 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.364 0.115 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.383 -1.311 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.302 -1.731 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.031 -2.974 -6.158 1.00 0.00 H new ATOM 154 N SER A 10 -1.853 -1.266 -10.579 1.00 0.00 N ATOM 155 CA SER A 10 -1.853 -0.744 -11.973 1.00 0.00 C ATOM 156 C SER A 10 -2.855 0.406 -12.088 1.00 0.00 C ATOM 157 O SER A 10 -3.695 0.606 -11.233 1.00 0.00 O ATOM 158 CB SER A 10 -2.246 -1.859 -12.939 1.00 0.00 C ATOM 159 OG SER A 10 -3.447 -2.470 -12.486 1.00 0.00 O ATOM 0 H SER A 10 -2.698 -1.065 -10.044 1.00 0.00 H new ATOM 0 HA SER A 10 -0.855 -0.384 -12.223 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.386 -1.455 -13.942 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.449 -2.600 -13.002 1.00 0.00 H new ATOM 0 HG SER A 10 -3.704 -3.185 -13.105 1.00 0.00 H new ATOM 165 N LEU A 11 -2.767 1.166 -13.141 1.00 0.00 N ATOM 166 CA LEU A 11 -3.706 2.307 -13.324 1.00 0.00 C ATOM 167 C LEU A 11 -5.126 1.766 -13.468 1.00 0.00 C ATOM 168 O LEU A 11 -6.095 2.460 -13.233 1.00 0.00 O ATOM 169 CB LEU A 11 -3.313 3.081 -14.584 1.00 0.00 C ATOM 170 CG LEU A 11 -1.831 3.462 -14.505 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.431 4.205 -15.782 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.583 4.363 -13.283 1.00 0.00 C ATOM 0 H LEU A 11 -2.082 1.046 -13.887 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.660 2.973 -12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.497 2.473 -15.470 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.926 3.977 -14.680 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.232 2.557 -14.404 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.377 4.478 -15.729 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.596 3.560 -16.645 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.035 5.107 -15.882 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.527 4.629 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.182 5.270 -13.372 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.865 3.830 -12.375 1.00 0.00 H new ATOM 184 N SER A 12 -5.255 0.527 -13.859 1.00 0.00 N ATOM 185 CA SER A 12 -6.609 -0.074 -14.025 1.00 0.00 C ATOM 186 C SER A 12 -7.361 0.008 -12.700 1.00 0.00 C ATOM 187 O SER A 12 -8.568 -0.119 -12.651 1.00 0.00 O ATOM 188 CB SER A 12 -6.465 -1.540 -14.436 1.00 0.00 C ATOM 189 OG SER A 12 -7.756 -2.099 -14.639 1.00 0.00 O ATOM 0 H SER A 12 -4.477 -0.097 -14.071 1.00 0.00 H new ATOM 0 HA SER A 12 -7.160 0.468 -14.794 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.875 -1.618 -15.349 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.933 -2.096 -13.664 1.00 0.00 H new ATOM 0 HG SER A 12 -7.668 -3.038 -14.904 1.00 0.00 H new ATOM 195 N THR A 13 -6.650 0.220 -11.620 1.00 0.00 N ATOM 196 CA THR A 13 -7.301 0.316 -10.276 1.00 0.00 C ATOM 197 C THR A 13 -6.885 1.624 -9.597 1.00 0.00 C ATOM 198 O THR A 13 -6.011 1.641 -8.753 1.00 0.00 O ATOM 199 CB THR A 13 -6.843 -0.866 -9.420 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.465 -0.716 -9.104 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.053 -2.166 -10.195 1.00 0.00 C ATOM 0 H THR A 13 -5.636 0.332 -11.612 1.00 0.00 H new ATOM 0 HA THR A 13 -8.385 0.297 -10.389 1.00 0.00 H new ATOM 0 HB THR A 13 -7.424 -0.896 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.324 0.145 -8.658 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.727 -3.009 -9.586 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.110 -2.279 -10.436 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.472 -2.138 -11.117 1.00 0.00 H new ATOM 209 N PRO A 14 -7.510 2.716 -9.960 1.00 0.00 N ATOM 210 CA PRO A 14 -7.198 4.053 -9.372 1.00 0.00 C ATOM 211 C PRO A 14 -7.258 4.028 -7.842 1.00 0.00 C ATOM 212 O PRO A 14 -6.442 4.630 -7.170 1.00 0.00 O ATOM 213 CB PRO A 14 -8.296 4.968 -9.941 1.00 0.00 C ATOM 214 CG PRO A 14 -8.734 4.305 -11.207 1.00 0.00 C ATOM 215 CD PRO A 14 -8.575 2.800 -10.973 1.00 0.00 C ATOM 0 HA PRO A 14 -6.190 4.385 -9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.126 5.071 -9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.914 5.971 -10.132 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.769 4.556 -11.441 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.127 4.635 -12.050 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.502 2.350 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.298 2.279 -11.890 1.00 0.00 H new ATOM 223 N TYR A 15 -8.223 3.332 -7.295 1.00 0.00 N ATOM 224 CA TYR A 15 -8.365 3.246 -5.810 1.00 0.00 C ATOM 225 C TYR A 15 -8.134 1.805 -5.363 1.00 0.00 C ATOM 226 O TYR A 15 -8.700 0.878 -5.907 1.00 0.00 O ATOM 227 CB TYR A 15 -9.777 3.681 -5.421 1.00 0.00 C ATOM 228 CG TYR A 15 -9.953 5.142 -5.759 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.367 6.120 -4.948 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.695 5.519 -6.886 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.522 7.476 -5.262 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.851 6.873 -7.200 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.264 7.852 -6.388 1.00 0.00 C ATOM 234 OH TYR A 15 -10.417 9.187 -6.698 1.00 0.00 O ATOM 0 H TYR A 15 -8.927 2.814 -7.821 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.634 3.895 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.515 3.080 -5.952 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.941 3.519 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.795 5.829 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.147 4.764 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.070 8.231 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.424 7.164 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.958 9.274 -7.510 1.00 0.00 H new ATOM 244 N VAL A 16 -7.302 1.605 -4.374 1.00 0.00 N ATOM 245 CA VAL A 16 -7.032 0.214 -3.895 1.00 0.00 C ATOM 246 C VAL A 16 -6.646 0.231 -2.413 1.00 0.00 C ATOM 247 O VAL A 16 -6.564 1.270 -1.787 1.00 0.00 O ATOM 248 CB VAL A 16 -5.889 -0.399 -4.711 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.333 -0.591 -6.162 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.671 0.528 -4.669 1.00 0.00 C ATOM 0 H VAL A 16 -6.799 2.341 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.935 -0.384 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.624 -1.366 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.517 -1.027 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.195 -1.257 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.604 0.374 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.860 0.089 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.937 1.497 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.348 0.658 -3.636 1.00 0.00 H new ATOM 260 N SER A 17 -6.414 -0.929 -1.852 1.00 0.00 N ATOM 261 CA SER A 17 -6.023 -1.028 -0.412 1.00 0.00 C ATOM 262 C SER A 17 -4.780 -1.918 -0.299 1.00 0.00 C ATOM 263 O SER A 17 -4.731 -2.996 -0.858 1.00 0.00 O ATOM 264 CB SER A 17 -7.175 -1.643 0.383 1.00 0.00 C ATOM 265 OG SER A 17 -8.230 -0.696 0.495 1.00 0.00 O ATOM 0 H SER A 17 -6.480 -1.824 -2.337 1.00 0.00 H new ATOM 0 HA SER A 17 -5.803 -0.038 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.533 -2.545 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.830 -1.939 1.374 1.00 0.00 H new ATOM 0 HG SER A 17 -8.970 -1.089 1.003 1.00 0.00 H new ATOM 271 N VAL A 18 -3.771 -1.476 0.416 1.00 0.00 N ATOM 272 CA VAL A 18 -2.523 -2.297 0.563 1.00 0.00 C ATOM 273 C VAL A 18 -2.032 -2.255 2.012 1.00 0.00 C ATOM 274 O VAL A 18 -2.396 -1.388 2.781 1.00 0.00 O ATOM 275 CB VAL A 18 -1.436 -1.738 -0.357 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.867 -1.908 -1.815 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.223 -0.250 -0.061 1.00 0.00 C ATOM 0 H VAL A 18 -3.757 -0.581 0.905 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.743 -3.329 0.291 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.505 -2.278 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.093 -1.510 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.016 -2.966 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.799 -1.369 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.448 0.144 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.153 0.292 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.916 -0.126 0.977 1.00 0.00 H new ATOM 287 N ILE A 19 -1.199 -3.191 2.386 1.00 0.00 N ATOM 288 CA ILE A 19 -0.666 -3.223 3.781 1.00 0.00 C ATOM 289 C ILE A 19 0.785 -3.698 3.759 1.00 0.00 C ATOM 290 O ILE A 19 1.165 -4.512 2.940 1.00 0.00 O ATOM 291 CB ILE A 19 -1.502 -4.187 4.623 1.00 0.00 C ATOM 292 CG1 ILE A 19 -1.043 -4.111 6.081 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.317 -5.614 4.102 1.00 0.00 C ATOM 294 CD1 ILE A 19 -2.042 -4.847 6.975 1.00 0.00 C ATOM 0 H ILE A 19 -0.863 -3.940 1.781 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.717 -2.223 4.213 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.555 -3.913 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.053 -4.554 6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.960 -3.070 6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.913 -6.301 4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.640 -5.667 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.265 -5.892 4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.712 -4.791 8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.024 -4.384 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.103 -5.892 6.670 1.00 0.00 H new ATOM 306 N GLY A 20 1.603 -3.203 4.647 1.00 0.00 N ATOM 307 CA GLY A 20 3.023 -3.651 4.651 1.00 0.00 C ATOM 308 C GLY A 20 3.860 -2.766 5.573 1.00 0.00 C ATOM 309 O GLY A 20 3.345 -2.075 6.431 1.00 0.00 O ATOM 0 H GLY A 20 1.354 -2.518 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.082 -4.688 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.425 -3.614 3.638 1.00 0.00 H new ATOM 313 N LYS A 21 5.158 -2.793 5.399 1.00 0.00 N ATOM 314 CA LYS A 21 6.064 -1.968 6.254 1.00 0.00 C ATOM 315 C LYS A 21 6.557 -0.765 5.462 1.00 0.00 C ATOM 316 O LYS A 21 6.777 -0.847 4.269 1.00 0.00 O ATOM 317 CB LYS A 21 7.267 -2.810 6.669 1.00 0.00 C ATOM 318 CG LYS A 21 6.821 -3.871 7.674 1.00 0.00 C ATOM 319 CD LYS A 21 7.981 -4.826 7.975 1.00 0.00 C ATOM 320 CE LYS A 21 8.993 -4.154 8.910 1.00 0.00 C ATOM 321 NZ LYS A 21 9.963 -5.174 9.394 1.00 0.00 N ATOM 0 H LYS A 21 5.632 -3.357 4.694 1.00 0.00 H new ATOM 0 HA LYS A 21 5.520 -1.631 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.711 -3.285 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.035 -2.175 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.484 -3.394 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.974 -4.429 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.600 -5.738 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.471 -5.118 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.518 -3.356 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.478 -3.695 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.652 -4.724 10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.454 -5.920 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.461 -5.592 8.582 1.00 0.00 H new ATOM 335 N ILE A 22 6.725 0.354 6.122 1.00 0.00 N ATOM 336 CA ILE A 22 7.197 1.586 5.421 1.00 0.00 C ATOM 337 C ILE A 22 8.700 1.754 5.642 1.00 0.00 C ATOM 338 O ILE A 22 9.188 1.641 6.747 1.00 0.00 O ATOM 339 CB ILE A 22 6.467 2.802 5.992 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.957 2.520 6.038 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.735 4.014 5.096 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.467 2.014 4.679 1.00 0.00 C ATOM 0 H ILE A 22 6.554 0.467 7.121 1.00 0.00 H new ATOM 0 HA ILE A 22 6.992 1.499 4.354 1.00 0.00 H new ATOM 0 HB ILE A 22 6.826 3.005 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.742 1.779 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.419 3.428 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.217 4.885 5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.806 4.212 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.373 3.809 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.396 1.819 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.664 2.768 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.992 1.094 4.423 1.00 0.00 H new ATOM 354 N THR A 23 9.439 2.015 4.592 1.00 0.00 N ATOM 355 CA THR A 23 10.920 2.189 4.720 1.00 0.00 C ATOM 356 C THR A 23 11.366 3.415 3.917 1.00 0.00 C ATOM 357 O THR A 23 10.693 3.847 3.002 1.00 0.00 O ATOM 358 CB THR A 23 11.611 0.940 4.174 1.00 0.00 C ATOM 359 OG1 THR A 23 11.361 0.834 2.778 1.00 0.00 O ATOM 360 CG2 THR A 23 11.062 -0.296 4.887 1.00 0.00 C ATOM 0 H THR A 23 9.077 2.116 3.644 1.00 0.00 H new ATOM 0 HA THR A 23 11.187 2.333 5.767 1.00 0.00 H new ATOM 0 HB THR A 23 12.685 1.011 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.407 0.976 2.605 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.554 -1.188 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.252 -0.213 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.988 -0.369 4.714 1.00 0.00 H new ATOM 368 N GLY A 24 12.502 3.974 4.248 1.00 0.00 N ATOM 369 CA GLY A 24 13.004 5.171 3.503 1.00 0.00 C ATOM 370 C GLY A 24 12.608 6.444 4.253 1.00 0.00 C ATOM 371 O GLY A 24 13.433 7.107 4.850 1.00 0.00 O ATOM 0 H GLY A 24 13.106 3.653 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.088 5.120 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.588 5.186 2.496 1.00 0.00 H new ATOM 375 N ILE A 25 11.348 6.789 4.223 1.00 0.00 N ATOM 376 CA ILE A 25 10.880 8.018 4.930 1.00 0.00 C ATOM 377 C ILE A 25 11.761 9.210 4.554 1.00 0.00 C ATOM 378 O ILE A 25 12.854 9.376 5.058 1.00 0.00 O ATOM 379 CB ILE A 25 10.937 7.800 6.444 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.258 6.471 6.799 1.00 0.00 C ATOM 381 CG2 ILE A 25 10.221 8.951 7.156 1.00 0.00 C ATOM 382 CD1 ILE A 25 8.855 6.411 6.186 1.00 0.00 C ATOM 0 H ILE A 25 10.618 6.269 3.736 1.00 0.00 H new ATOM 0 HA ILE A 25 9.852 8.224 4.631 1.00 0.00 H new ATOM 0 HB ILE A 25 11.978 7.769 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.859 5.639 6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.194 6.365 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.263 8.794 8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.710 9.893 6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.180 8.986 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.385 5.463 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.253 7.233 6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.928 6.495 5.102 1.00 0.00 H new ATOM 394 N HIS A 26 11.275 10.049 3.676 1.00 0.00 N ATOM 395 CA HIS A 26 12.044 11.256 3.248 1.00 0.00 C ATOM 396 C HIS A 26 11.140 12.483 3.364 1.00 0.00 C ATOM 397 O HIS A 26 10.015 12.477 2.906 1.00 0.00 O ATOM 398 CB HIS A 26 12.484 11.081 1.795 1.00 0.00 C ATOM 399 CG HIS A 26 13.500 9.977 1.719 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.134 8.642 1.656 1.00 0.00 N ATOM 401 CD2 HIS A 26 14.872 9.992 1.705 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.266 7.914 1.609 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.354 8.689 1.636 1.00 0.00 N ATOM 0 H HIS A 26 10.363 9.947 3.231 1.00 0.00 H new ATOM 0 HA HIS A 26 12.923 11.385 3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.624 10.845 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.909 12.010 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.485 10.881 1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.291 6.836 1.556 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.329 8.390 1.611 1.00 0.00 H new ATOM 411 N LYS A 27 11.617 13.532 3.978 1.00 0.00 N ATOM 412 CA LYS A 27 10.781 14.759 4.131 1.00 0.00 C ATOM 413 C LYS A 27 11.064 15.720 2.978 1.00 0.00 C ATOM 414 O LYS A 27 12.202 15.988 2.645 1.00 0.00 O ATOM 415 CB LYS A 27 11.125 15.442 5.457 1.00 0.00 C ATOM 416 CG LYS A 27 10.218 16.658 5.653 1.00 0.00 C ATOM 417 CD LYS A 27 10.501 17.295 7.012 1.00 0.00 C ATOM 418 CE LYS A 27 9.580 18.501 7.205 1.00 0.00 C ATOM 419 NZ LYS A 27 9.818 19.102 8.548 1.00 0.00 N ATOM 0 H LYS A 27 12.552 13.593 4.381 1.00 0.00 H new ATOM 0 HA LYS A 27 9.726 14.484 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.997 14.742 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.170 15.750 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.389 17.383 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.172 16.358 5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.340 16.568 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.544 17.606 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.765 19.241 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.538 18.194 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.191 19.922 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.620 18.395 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.809 19.409 8.620 1.00 0.00 H new ATOM 433 N LYS A 28 10.035 16.251 2.374 1.00 0.00 N ATOM 434 CA LYS A 28 10.231 17.208 1.246 1.00 0.00 C ATOM 435 C LYS A 28 9.110 18.249 1.266 1.00 0.00 C ATOM 436 O LYS A 28 8.019 17.986 1.729 1.00 0.00 O ATOM 437 CB LYS A 28 10.203 16.452 -0.084 1.00 0.00 C ATOM 438 CG LYS A 28 10.474 17.430 -1.228 1.00 0.00 C ATOM 439 CD LYS A 28 10.526 16.672 -2.553 1.00 0.00 C ATOM 440 CE LYS A 28 10.811 17.657 -3.687 1.00 0.00 C ATOM 441 NZ LYS A 28 10.877 16.921 -4.980 1.00 0.00 N ATOM 0 H LYS A 28 9.062 16.062 2.615 1.00 0.00 H new ATOM 0 HA LYS A 28 11.195 17.705 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.953 15.661 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.234 15.972 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.693 18.189 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.417 17.950 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.301 15.907 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.580 16.160 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.030 18.416 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.752 18.177 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.071 17.591 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.637 16.212 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.969 16.445 -5.155 1.00 0.00 H new ATOM 455 N GLU A 29 9.378 19.426 0.763 1.00 0.00 N ATOM 456 CA GLU A 29 8.342 20.508 0.733 1.00 0.00 C ATOM 457 C GLU A 29 7.928 20.773 -0.713 1.00 0.00 C ATOM 458 O GLU A 29 8.732 20.696 -1.620 1.00 0.00 O ATOM 459 CB GLU A 29 8.924 21.784 1.342 1.00 0.00 C ATOM 460 CG GLU A 29 9.114 21.586 2.847 1.00 0.00 C ATOM 461 CD GLU A 29 9.760 22.834 3.448 1.00 0.00 C ATOM 462 OE1 GLU A 29 10.006 23.767 2.701 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.994 22.838 4.645 1.00 0.00 O ATOM 0 H GLU A 29 10.280 19.689 0.367 1.00 0.00 H new ATOM 0 HA GLU A 29 7.470 20.197 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.878 22.023 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.258 22.626 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.152 21.396 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.740 20.714 3.034 1.00 0.00 H new ATOM 470 N TYR A 30 6.678 21.086 -0.937 1.00 0.00 N ATOM 471 CA TYR A 30 6.214 21.357 -2.330 1.00 0.00 C ATOM 472 C TYR A 30 5.129 22.431 -2.303 1.00 0.00 C ATOM 473 O TYR A 30 4.569 22.742 -1.269 1.00 0.00 O ATOM 474 CB TYR A 30 5.659 20.070 -2.949 1.00 0.00 C ATOM 475 CG TYR A 30 4.381 19.662 -2.248 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.420 19.204 -0.925 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.155 19.742 -2.924 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.236 18.826 -0.280 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.972 19.362 -2.279 1.00 0.00 C ATOM 480 CZ TYR A 30 2.013 18.904 -0.957 1.00 0.00 C ATOM 481 OH TYR A 30 0.847 18.530 -0.322 1.00 0.00 O ATOM 0 H TYR A 30 5.960 21.166 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 30 7.053 21.707 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.467 20.222 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.397 19.272 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.363 19.142 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.123 20.097 -3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.266 18.474 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.028 19.422 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 30 0.719 17.563 -0.417 1.00 0.00 H new ATOM 491 N GLU A 31 4.839 23.013 -3.432 1.00 0.00 N ATOM 492 CA GLU A 31 3.801 24.080 -3.484 1.00 0.00 C ATOM 493 C GLU A 31 2.424 23.448 -3.694 1.00 0.00 C ATOM 494 O GLU A 31 2.275 22.488 -4.425 1.00 0.00 O ATOM 495 CB GLU A 31 4.121 25.024 -4.646 1.00 0.00 C ATOM 496 CG GLU A 31 3.957 24.280 -5.973 1.00 0.00 C ATOM 497 CD GLU A 31 4.513 25.136 -7.110 1.00 0.00 C ATOM 498 OE1 GLU A 31 5.521 25.788 -6.894 1.00 0.00 O ATOM 499 OE2 GLU A 31 3.922 25.127 -8.177 1.00 0.00 O ATOM 0 H GLU A 31 5.279 22.795 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 31 3.795 24.638 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.458 25.889 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.140 25.400 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.480 23.325 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.904 24.060 -6.151 1.00 0.00 H new ATOM 506 N SER A 32 1.413 23.990 -3.070 1.00 0.00 N ATOM 507 CA SER A 32 0.036 23.438 -3.236 1.00 0.00 C ATOM 508 C SER A 32 -0.969 24.588 -3.148 1.00 0.00 C ATOM 509 O SER A 32 -1.161 25.175 -2.104 1.00 0.00 O ATOM 510 CB SER A 32 -0.246 22.416 -2.132 1.00 0.00 C ATOM 511 OG SER A 32 -1.524 21.834 -2.343 1.00 0.00 O ATOM 0 H SER A 32 1.482 24.796 -2.449 1.00 0.00 H new ATOM 0 HA SER A 32 -0.052 22.944 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.522 21.643 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.211 22.900 -1.156 1.00 0.00 H new ATOM 0 HG SER A 32 -1.705 21.178 -1.638 1.00 0.00 H new ATOM 517 N ASP A 33 -1.596 24.917 -4.246 1.00 0.00 N ATOM 518 CA ASP A 33 -2.587 26.032 -4.254 1.00 0.00 C ATOM 519 C ASP A 33 -1.926 27.311 -3.731 1.00 0.00 C ATOM 520 O ASP A 33 -2.569 28.156 -3.139 1.00 0.00 O ATOM 521 CB ASP A 33 -3.791 25.675 -3.378 1.00 0.00 C ATOM 522 CG ASP A 33 -4.607 24.578 -4.066 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.366 24.335 -5.237 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.459 24.001 -3.410 1.00 0.00 O ATOM 0 H ASP A 33 -1.462 24.456 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.931 26.194 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.455 25.335 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.410 26.557 -3.214 1.00 0.00 H new ATOM 529 N GLY A 34 -0.651 27.470 -3.967 1.00 0.00 N ATOM 530 CA GLY A 34 0.051 28.704 -3.505 1.00 0.00 C ATOM 531 C GLY A 34 0.449 28.568 -2.034 1.00 0.00 C ATOM 532 O GLY A 34 0.788 29.538 -1.388 1.00 0.00 O ATOM 0 H GLY A 34 -0.064 26.798 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.938 28.876 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.598 29.570 -3.635 1.00 0.00 H new ATOM 536 N THR A 35 0.411 27.370 -1.499 1.00 0.00 N ATOM 537 CA THR A 35 0.788 27.161 -0.063 1.00 0.00 C ATOM 538 C THR A 35 1.832 26.046 0.037 1.00 0.00 C ATOM 539 O THR A 35 1.706 25.005 -0.577 1.00 0.00 O ATOM 540 CB THR A 35 -0.461 26.772 0.732 1.00 0.00 C ATOM 541 OG1 THR A 35 -0.935 25.510 0.283 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.542 27.833 0.521 1.00 0.00 C ATOM 0 H THR A 35 0.134 26.524 -1.997 1.00 0.00 H new ATOM 0 HA THR A 35 1.208 28.081 0.344 1.00 0.00 H new ATOM 0 HB THR A 35 -0.216 26.707 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.396 25.620 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.434 27.561 1.085 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.175 28.800 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.788 27.896 -0.539 1.00 0.00 H new ATOM 550 N THR A 36 2.863 26.264 0.807 1.00 0.00 N ATOM 551 CA THR A 36 3.926 25.229 0.955 1.00 0.00 C ATOM 552 C THR A 36 3.503 24.203 2.010 1.00 0.00 C ATOM 553 O THR A 36 3.137 24.553 3.115 1.00 0.00 O ATOM 554 CB THR A 36 5.226 25.904 1.401 1.00 0.00 C ATOM 555 OG1 THR A 36 5.628 26.850 0.418 1.00 0.00 O ATOM 556 CG2 THR A 36 6.318 24.850 1.578 1.00 0.00 C ATOM 0 H THR A 36 3.016 27.119 1.343 1.00 0.00 H new ATOM 0 HA THR A 36 4.078 24.725 0.000 1.00 0.00 H new ATOM 0 HB THR A 36 5.064 26.414 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.459 27.284 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.242 25.333 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.008 24.128 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.484 24.336 0.631 1.00 0.00 H new ATOM 564 N LYS A 37 3.564 22.936 1.680 1.00 0.00 N ATOM 565 CA LYS A 37 3.181 21.872 2.661 1.00 0.00 C ATOM 566 C LYS A 37 4.207 20.739 2.604 1.00 0.00 C ATOM 567 O LYS A 37 4.747 20.424 1.561 1.00 0.00 O ATOM 568 CB LYS A 37 1.788 21.338 2.320 1.00 0.00 C ATOM 569 CG LYS A 37 0.751 22.423 2.621 1.00 0.00 C ATOM 570 CD LYS A 37 -0.648 21.905 2.291 1.00 0.00 C ATOM 571 CE LYS A 37 -1.681 22.989 2.605 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.043 22.487 2.273 1.00 0.00 N ATOM 0 H LYS A 37 3.864 22.591 0.768 1.00 0.00 H new ATOM 0 HA LYS A 37 3.163 22.289 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.741 21.053 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.575 20.442 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.805 22.709 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.966 23.317 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.705 21.627 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.861 21.006 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.629 23.262 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.464 23.890 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.746 23.223 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.088 22.248 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.248 21.639 2.839 1.00 0.00 H new ATOM 586 N SER A 38 4.497 20.137 3.725 1.00 0.00 N ATOM 587 CA SER A 38 5.500 19.038 3.742 1.00 0.00 C ATOM 588 C SER A 38 4.863 17.733 3.257 1.00 0.00 C ATOM 589 O SER A 38 3.674 17.519 3.389 1.00 0.00 O ATOM 590 CB SER A 38 6.016 18.849 5.168 1.00 0.00 C ATOM 591 OG SER A 38 5.108 18.025 5.887 1.00 0.00 O ATOM 0 H SER A 38 4.082 20.360 4.630 1.00 0.00 H new ATOM 0 HA SER A 38 6.325 19.298 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.006 18.393 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.118 19.815 5.662 1.00 0.00 H new ATOM 0 HG SER A 38 5.435 17.899 6.802 1.00 0.00 H new ATOM 597 N VAL A 39 5.658 16.850 2.713 1.00 0.00 N ATOM 598 CA VAL A 39 5.129 15.539 2.233 1.00 0.00 C ATOM 599 C VAL A 39 6.162 14.455 2.551 1.00 0.00 C ATOM 600 O VAL A 39 7.353 14.669 2.433 1.00 0.00 O ATOM 601 CB VAL A 39 4.874 15.603 0.722 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.115 16.140 0.010 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.550 14.202 0.193 1.00 0.00 C ATOM 0 H VAL A 39 6.661 16.982 2.579 1.00 0.00 H new ATOM 0 HA VAL A 39 4.187 15.308 2.731 1.00 0.00 H new ATOM 0 HB VAL A 39 4.031 16.267 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.929 16.183 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.342 17.140 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.960 15.480 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.369 14.251 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.390 13.536 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.660 13.821 0.693 1.00 0.00 H new ATOM 613 N TYR A 40 5.715 13.296 2.963 1.00 0.00 N ATOM 614 CA TYR A 40 6.664 12.191 3.304 1.00 0.00 C ATOM 615 C TYR A 40 6.687 11.167 2.171 1.00 0.00 C ATOM 616 O TYR A 40 5.658 10.723 1.700 1.00 0.00 O ATOM 617 CB TYR A 40 6.199 11.519 4.596 1.00 0.00 C ATOM 618 CG TYR A 40 6.367 12.488 5.742 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.360 13.416 6.031 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.537 12.462 6.510 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.522 14.317 7.092 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.700 13.362 7.568 1.00 0.00 C ATOM 623 CZ TYR A 40 6.693 14.290 7.860 1.00 0.00 C ATOM 624 OH TYR A 40 6.854 15.178 8.903 1.00 0.00 O ATOM 0 H TYR A 40 4.728 13.066 3.079 1.00 0.00 H new ATOM 0 HA TYR A 40 7.667 12.595 3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.155 11.217 4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.779 10.614 4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.459 13.438 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.314 11.747 6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.744 15.032 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.603 13.341 8.160 1.00 0.00 H new ATOM 0 HH TYR A 40 7.721 15.024 9.333 1.00 0.00 H new ATOM 634 N GLN A 41 7.864 10.786 1.735 1.00 0.00 N ATOM 635 CA GLN A 41 7.990 9.784 0.630 1.00 0.00 C ATOM 636 C GLN A 41 8.788 8.587 1.130 1.00 0.00 C ATOM 637 O GLN A 41 9.589 8.700 2.037 1.00 0.00 O ATOM 638 CB GLN A 41 8.712 10.423 -0.556 1.00 0.00 C ATOM 639 CG GLN A 41 7.805 11.479 -1.187 1.00 0.00 C ATOM 640 CD GLN A 41 8.519 12.129 -2.371 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.066 11.448 -3.214 1.00 0.00 O ATOM 642 NE2 GLN A 41 8.533 13.428 -2.473 1.00 0.00 N ATOM 0 H GLN A 41 8.751 11.130 2.102 1.00 0.00 H new ATOM 0 HA GLN A 41 6.999 9.457 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.646 10.879 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.971 9.662 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.873 11.021 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.543 12.236 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.073 14.000 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.004 13.873 -3.261 1.00 0.00 H new ATOM 651 N GLY A 42 8.572 7.438 0.558 1.00 0.00 N ATOM 652 CA GLY A 42 9.317 6.238 1.016 1.00 0.00 C ATOM 653 C GLY A 42 8.993 5.049 0.116 1.00 0.00 C ATOM 654 O GLY A 42 8.585 5.196 -1.018 1.00 0.00 O ATOM 0 H GLY A 42 7.914 7.279 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.389 6.436 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.052 6.007 2.048 1.00 0.00 H new ATOM 658 N TYR A 43 9.172 3.866 0.629 1.00 0.00 N ATOM 659 CA TYR A 43 8.877 2.634 -0.157 1.00 0.00 C ATOM 660 C TYR A 43 8.160 1.652 0.761 1.00 0.00 C ATOM 661 O TYR A 43 8.506 1.524 1.919 1.00 0.00 O ATOM 662 CB TYR A 43 10.188 2.019 -0.651 1.00 0.00 C ATOM 663 CG TYR A 43 10.824 2.935 -1.670 1.00 0.00 C ATOM 664 CD1 TYR A 43 11.589 4.029 -1.251 1.00 0.00 C ATOM 665 CD2 TYR A 43 10.645 2.687 -3.036 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.175 4.877 -2.198 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.230 3.535 -3.983 1.00 0.00 C ATOM 668 CZ TYR A 43 11.995 4.629 -3.564 1.00 0.00 C ATOM 669 OH TYR A 43 12.572 5.465 -4.499 1.00 0.00 O ATOM 0 H TYR A 43 9.516 3.696 1.574 1.00 0.00 H new ATOM 0 HA TYR A 43 8.253 2.869 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.867 1.863 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.999 1.041 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.727 4.219 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.056 1.842 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.765 5.722 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.091 3.345 -5.037 1.00 0.00 H new ATOM 0 HH TYR A 43 12.350 5.151 -5.400 1.00 0.00 H new ATOM 679 N ILE A 44 7.166 0.957 0.266 1.00 0.00 N ATOM 680 CA ILE A 44 6.427 -0.021 1.125 1.00 0.00 C ATOM 681 C ILE A 44 6.618 -1.426 0.568 1.00 0.00 C ATOM 682 O ILE A 44 6.455 -1.656 -0.610 1.00 0.00 O ATOM 683 CB ILE A 44 4.938 0.331 1.144 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.204 -0.653 2.062 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.361 0.245 -0.273 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.795 -0.136 2.358 1.00 0.00 C ATOM 0 H ILE A 44 6.834 1.024 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 44 6.816 0.022 2.143 1.00 0.00 H new ATOM 0 HB ILE A 44 4.809 1.348 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.149 -1.634 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.758 -0.778 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.301 0.497 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.886 0.945 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.485 -0.768 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.279 -0.840 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.859 0.835 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.241 -0.034 1.425 1.00 0.00 H new ATOM 698 N GLU A 45 6.975 -2.363 1.416 1.00 0.00 N ATOM 699 CA GLU A 45 7.203 -3.774 0.956 1.00 0.00 C ATOM 700 C GLU A 45 6.207 -4.710 1.641 1.00 0.00 C ATOM 701 O GLU A 45 5.696 -4.421 2.705 1.00 0.00 O ATOM 702 CB GLU A 45 8.632 -4.195 1.320 1.00 0.00 C ATOM 703 CG GLU A 45 8.900 -5.614 0.811 1.00 0.00 C ATOM 704 CD GLU A 45 10.359 -5.986 1.078 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.136 -5.089 1.361 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.674 -7.162 0.993 1.00 0.00 O ATOM 0 H GLU A 45 7.119 -2.211 2.414 1.00 0.00 H new ATOM 0 HA GLU A 45 7.063 -3.832 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.348 -3.500 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.769 -4.154 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.237 -6.321 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.688 -5.675 -0.256 1.00 0.00 H new ATOM 713 N ASP A 46 5.928 -5.837 1.033 1.00 0.00 N ATOM 714 CA ASP A 46 4.967 -6.806 1.638 1.00 0.00 C ATOM 715 C ASP A 46 5.469 -8.234 1.409 1.00 0.00 C ATOM 716 O ASP A 46 6.656 -8.495 1.418 1.00 0.00 O ATOM 717 CB ASP A 46 3.592 -6.640 0.990 1.00 0.00 C ATOM 718 CG ASP A 46 3.670 -7.030 -0.485 1.00 0.00 C ATOM 719 OD1 ASP A 46 4.764 -7.307 -0.947 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.633 -7.047 -1.129 1.00 0.00 O ATOM 0 H ASP A 46 6.327 -6.127 0.140 1.00 0.00 H new ATOM 0 HA ASP A 46 4.888 -6.615 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.859 -7.263 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.256 -5.608 1.086 1.00 0.00 H new ATOM 725 N ASP A 47 4.571 -9.161 1.227 1.00 0.00 N ATOM 726 CA ASP A 47 4.988 -10.577 1.023 1.00 0.00 C ATOM 727 C ASP A 47 5.470 -10.799 -0.414 1.00 0.00 C ATOM 728 O ASP A 47 5.986 -11.851 -0.736 1.00 0.00 O ATOM 729 CB ASP A 47 3.794 -11.493 1.302 1.00 0.00 C ATOM 730 CG ASP A 47 3.461 -11.458 2.795 1.00 0.00 C ATOM 731 OD1 ASP A 47 4.282 -10.966 3.552 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.392 -11.922 3.155 1.00 0.00 O ATOM 0 H ASP A 47 3.564 -8.999 1.211 1.00 0.00 H new ATOM 0 HA ASP A 47 5.808 -10.805 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.931 -11.171 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.025 -12.513 0.994 1.00 0.00 H new ATOM 737 N THR A 48 5.302 -9.827 -1.283 1.00 0.00 N ATOM 738 CA THR A 48 5.746 -9.996 -2.709 1.00 0.00 C ATOM 739 C THR A 48 6.906 -9.048 -3.031 1.00 0.00 C ATOM 740 O THR A 48 8.058 -9.420 -2.943 1.00 0.00 O ATOM 741 CB THR A 48 4.576 -9.686 -3.648 1.00 0.00 C ATOM 742 OG1 THR A 48 3.962 -8.469 -3.253 1.00 0.00 O ATOM 743 CG2 THR A 48 3.551 -10.819 -3.590 1.00 0.00 C ATOM 0 H THR A 48 4.877 -8.925 -1.068 1.00 0.00 H new ATOM 0 HA THR A 48 6.079 -11.025 -2.847 1.00 0.00 H new ATOM 0 HB THR A 48 4.948 -9.592 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.214 -8.270 -3.854 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.721 -10.593 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.022 -11.752 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.178 -10.920 -2.571 1.00 0.00 H new ATOM 751 N ALA A 49 6.604 -7.833 -3.427 1.00 0.00 N ATOM 752 CA ALA A 49 7.683 -6.852 -3.788 1.00 0.00 C ATOM 753 C ALA A 49 7.473 -5.537 -3.041 1.00 0.00 C ATOM 754 O ALA A 49 6.991 -5.511 -1.925 1.00 0.00 O ATOM 755 CB ALA A 49 7.627 -6.584 -5.293 1.00 0.00 C ATOM 0 H ALA A 49 5.653 -7.476 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 49 8.652 -7.268 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.407 -5.873 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.782 -7.517 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.652 -6.171 -5.553 1.00 0.00 H new ATOM 761 N ARG A 50 7.847 -4.438 -3.651 1.00 0.00 N ATOM 762 CA ARG A 50 7.688 -3.113 -2.984 1.00 0.00 C ATOM 763 C ARG A 50 7.417 -2.025 -4.027 1.00 0.00 C ATOM 764 O ARG A 50 7.764 -2.159 -5.183 1.00 0.00 O ATOM 765 CB ARG A 50 8.973 -2.788 -2.211 1.00 0.00 C ATOM 766 CG ARG A 50 10.161 -2.711 -3.181 1.00 0.00 C ATOM 767 CD ARG A 50 11.446 -2.434 -2.394 1.00 0.00 C ATOM 768 NE ARG A 50 12.594 -2.288 -3.340 1.00 0.00 N ATOM 769 CZ ARG A 50 13.278 -3.337 -3.723 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.951 -4.528 -3.301 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.290 -3.191 -4.537 1.00 0.00 N ATOM 0 H ARG A 50 8.256 -4.404 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 50 6.843 -3.151 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.861 -1.841 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.157 -3.553 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.255 -3.646 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.994 -1.923 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.333 -1.526 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.639 -3.248 -1.696 1.00 0.00 H new ATOM 0 HE ARG A 50 12.847 -1.364 -3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.159 -4.646 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.488 -5.341 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.545 -2.262 -4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.825 -4.006 -4.837 1.00 0.00 H new ATOM 785 N ILE A 51 6.797 -0.942 -3.622 1.00 0.00 N ATOM 786 CA ILE A 51 6.500 0.166 -4.583 1.00 0.00 C ATOM 787 C ILE A 51 6.665 1.525 -3.891 1.00 0.00 C ATOM 788 O ILE A 51 6.475 1.658 -2.697 1.00 0.00 O ATOM 789 CB ILE A 51 5.065 0.031 -5.102 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.810 1.111 -6.156 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.073 0.200 -3.947 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.505 0.808 -6.894 1.00 0.00 C ATOM 0 H ILE A 51 6.484 -0.778 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 51 7.198 0.102 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 51 4.931 -0.957 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.752 2.091 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.639 1.147 -6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.055 0.103 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.256 -0.567 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.201 1.185 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.324 1.578 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.580 -0.164 -7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.679 0.794 -6.182 1.00 0.00 H new ATOM 804 N ARG A 52 7.032 2.530 -4.640 1.00 0.00 N ATOM 805 CA ARG A 52 7.225 3.890 -4.053 1.00 0.00 C ATOM 806 C ARG A 52 5.864 4.506 -3.708 1.00 0.00 C ATOM 807 O ARG A 52 4.929 4.438 -4.478 1.00 0.00 O ATOM 808 CB ARG A 52 7.950 4.778 -5.071 1.00 0.00 C ATOM 809 CG ARG A 52 8.226 6.151 -4.454 1.00 0.00 C ATOM 810 CD ARG A 52 8.988 7.021 -5.456 1.00 0.00 C ATOM 811 NE ARG A 52 9.408 8.285 -4.790 1.00 0.00 N ATOM 812 CZ ARG A 52 10.059 9.198 -5.460 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.332 9.012 -6.724 1.00 0.00 N ATOM 814 NH2 ARG A 52 10.436 10.296 -4.867 1.00 0.00 N ATOM 0 H ARG A 52 7.208 2.467 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 52 7.820 3.813 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.887 4.310 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.343 4.888 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.288 6.632 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.807 6.039 -3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.861 6.486 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.357 7.242 -6.317 1.00 0.00 H new ATOM 0 HE ARG A 52 9.186 8.439 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.037 8.153 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.840 9.726 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.223 10.442 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.944 11.009 -5.390 1.00 0.00 H new ATOM 828 N ILE A 53 5.754 5.119 -2.554 1.00 0.00 N ATOM 829 CA ILE A 53 4.461 5.759 -2.148 1.00 0.00 C ATOM 830 C ILE A 53 4.746 7.106 -1.483 1.00 0.00 C ATOM 831 O ILE A 53 5.872 7.423 -1.150 1.00 0.00 O ATOM 832 CB ILE A 53 3.690 4.848 -1.179 1.00 0.00 C ATOM 833 CG1 ILE A 53 4.368 4.805 0.204 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.620 3.433 -1.755 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.850 4.452 0.072 1.00 0.00 C ATOM 0 H ILE A 53 6.508 5.204 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 53 3.849 5.914 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 53 2.685 5.252 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.262 5.772 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.869 4.070 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.073 2.787 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.107 3.457 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.630 3.045 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.308 4.428 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.951 3.474 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.350 5.203 -0.541 1.00 0.00 H new ATOM 847 N SER A 54 3.730 7.908 -1.291 1.00 0.00 N ATOM 848 CA SER A 54 3.934 9.239 -0.651 1.00 0.00 C ATOM 849 C SER A 54 2.699 9.615 0.162 1.00 0.00 C ATOM 850 O SER A 54 1.600 9.189 -0.128 1.00 0.00 O ATOM 851 CB SER A 54 4.166 10.288 -1.738 1.00 0.00 C ATOM 852 OG SER A 54 2.975 10.442 -2.499 1.00 0.00 O ATOM 0 H SER A 54 2.767 7.696 -1.551 1.00 0.00 H new ATOM 0 HA SER A 54 4.799 9.195 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.450 11.239 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.989 9.983 -2.385 1.00 0.00 H new ATOM 0 HG SER A 54 3.117 11.115 -3.197 1.00 0.00 H new ATOM 858 N SER A 55 2.879 10.416 1.183 1.00 0.00 N ATOM 859 CA SER A 55 1.729 10.840 2.038 1.00 0.00 C ATOM 860 C SER A 55 1.835 12.341 2.302 1.00 0.00 C ATOM 861 O SER A 55 2.842 12.832 2.772 1.00 0.00 O ATOM 862 CB SER A 55 1.771 10.075 3.361 1.00 0.00 C ATOM 863 OG SER A 55 2.940 10.446 4.081 1.00 0.00 O ATOM 0 H SER A 55 3.783 10.797 1.463 1.00 0.00 H new ATOM 0 HA SER A 55 0.788 10.625 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.881 10.296 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.771 9.001 3.174 1.00 0.00 H new ATOM 0 HG SER A 55 2.689 11.005 4.846 1.00 0.00 H new ATOM 869 N PHE A 56 0.806 13.077 1.980 1.00 0.00 N ATOM 870 CA PHE A 56 0.842 14.555 2.182 1.00 0.00 C ATOM 871 C PHE A 56 0.370 14.924 3.592 1.00 0.00 C ATOM 872 O PHE A 56 -0.678 14.502 4.039 1.00 0.00 O ATOM 873 CB PHE A 56 -0.074 15.211 1.148 1.00 0.00 C ATOM 874 CG PHE A 56 0.368 14.796 -0.236 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.405 15.487 -0.872 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.253 13.719 -0.878 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.823 15.102 -2.151 1.00 0.00 C ATOM 878 CE2 PHE A 56 0.164 13.333 -2.159 1.00 0.00 C ATOM 879 CZ PHE A 56 1.201 14.025 -2.796 1.00 0.00 C ATOM 0 H PHE A 56 -0.062 12.717 1.584 1.00 0.00 H new ATOM 0 HA PHE A 56 1.866 14.908 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.108 14.912 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.036 16.296 1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.883 16.318 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.053 13.186 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.625 15.635 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.315 12.502 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.521 13.729 -3.784 1.00 0.00 H new ATOM 889 N GLY A 57 1.132 15.732 4.284 1.00 0.00 N ATOM 890 CA GLY A 57 0.728 16.162 5.655 1.00 0.00 C ATOM 891 C GLY A 57 0.898 15.018 6.655 1.00 0.00 C ATOM 892 O GLY A 57 1.456 15.190 7.718 1.00 0.00 O ATOM 0 H GLY A 57 2.020 16.113 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.331 17.015 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.311 16.492 5.646 1.00 0.00 H new ATOM 896 N LYS A 58 0.405 13.855 6.334 1.00 0.00 N ATOM 897 CA LYS A 58 0.523 12.712 7.282 1.00 0.00 C ATOM 898 C LYS A 58 1.976 12.239 7.364 1.00 0.00 C ATOM 899 O LYS A 58 2.658 12.110 6.365 1.00 0.00 O ATOM 900 CB LYS A 58 -0.369 11.570 6.801 1.00 0.00 C ATOM 901 CG LYS A 58 -1.831 12.002 6.911 1.00 0.00 C ATOM 902 CD LYS A 58 -2.741 10.868 6.442 1.00 0.00 C ATOM 903 CE LYS A 58 -4.200 11.304 6.567 1.00 0.00 C ATOM 904 NZ LYS A 58 -5.088 10.196 6.118 1.00 0.00 N ATOM 0 H LYS A 58 -0.074 13.646 5.458 1.00 0.00 H new ATOM 0 HA LYS A 58 0.207 13.032 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.129 11.313 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.194 10.677 7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.065 12.266 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.003 12.893 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.515 10.609 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.564 9.974 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.425 11.569 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.378 12.194 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.962 10.201 6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.324 10.325 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.600 9.287 6.245 1.00 0.00 H new ATOM 918 N GLN A 59 2.453 11.982 8.557 1.00 0.00 N ATOM 919 CA GLN A 59 3.863 11.519 8.735 1.00 0.00 C ATOM 920 C GLN A 59 3.902 9.992 8.823 1.00 0.00 C ATOM 921 O GLN A 59 2.940 9.360 9.215 1.00 0.00 O ATOM 922 CB GLN A 59 4.440 12.113 10.021 1.00 0.00 C ATOM 923 CG GLN A 59 5.888 11.653 10.184 1.00 0.00 C ATOM 924 CD GLN A 59 6.536 12.405 11.347 1.00 0.00 C ATOM 925 OE1 GLN A 59 6.024 13.411 11.796 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.651 11.958 11.853 1.00 0.00 N ATOM 0 H GLN A 59 1.921 12.074 9.422 1.00 0.00 H new ATOM 0 HA GLN A 59 4.455 11.848 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.394 13.201 9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.847 11.797 10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.921 10.579 10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.444 11.836 9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.080 11.113 11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.094 12.453 12.627 1.00 0.00 H new ATOM 935 N LEU A 60 5.013 9.399 8.460 1.00 0.00 N ATOM 936 CA LEU A 60 5.143 7.907 8.511 1.00 0.00 C ATOM 937 C LEU A 60 6.419 7.530 9.272 1.00 0.00 C ATOM 938 O LEU A 60 7.342 8.313 9.375 1.00 0.00 O ATOM 939 CB LEU A 60 5.223 7.365 7.083 1.00 0.00 C ATOM 940 CG LEU A 60 3.945 7.729 6.316 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.100 7.299 4.854 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.731 7.014 6.939 1.00 0.00 C ATOM 0 H LEU A 60 5.844 9.889 8.127 1.00 0.00 H new ATOM 0 HA LEU A 60 4.280 7.479 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.093 7.780 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.351 6.283 7.102 1.00 0.00 H new ATOM 0 HG LEU A 60 3.785 8.806 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.196 7.554 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.953 7.814 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.262 6.222 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.830 7.280 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.881 5.935 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.623 7.321 7.979 1.00 0.00 H new ATOM 954 N GLN A 61 6.468 6.334 9.811 1.00 0.00 N ATOM 955 CA GLN A 61 7.673 5.880 10.581 1.00 0.00 C ATOM 956 C GLN A 61 8.314 4.677 9.886 1.00 0.00 C ATOM 957 O GLN A 61 7.644 3.757 9.456 1.00 0.00 O ATOM 958 CB GLN A 61 7.242 5.488 11.993 1.00 0.00 C ATOM 959 CG GLN A 61 6.896 6.748 12.786 1.00 0.00 C ATOM 960 CD GLN A 61 6.397 6.357 14.177 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.539 5.508 14.311 1.00 0.00 O ATOM 962 NE2 GLN A 61 6.901 6.945 15.227 1.00 0.00 N ATOM 0 H GLN A 61 5.718 5.646 9.750 1.00 0.00 H new ATOM 0 HA GLN A 61 8.402 6.689 10.628 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.379 4.823 11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.042 4.940 12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.773 7.389 12.870 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.131 7.321 12.262 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.622 7.658 15.115 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.574 6.691 16.159 1.00 0.00 H new ATOM 971 N ASP A 62 9.613 4.687 9.765 1.00 0.00 N ATOM 972 CA ASP A 62 10.315 3.562 9.085 1.00 0.00 C ATOM 973 C ASP A 62 10.185 2.269 9.900 1.00 0.00 C ATOM 974 O ASP A 62 10.353 2.257 11.102 1.00 0.00 O ATOM 975 CB ASP A 62 11.795 3.918 8.922 1.00 0.00 C ATOM 976 CG ASP A 62 12.509 2.792 8.173 1.00 0.00 C ATOM 977 OD1 ASP A 62 11.888 1.764 7.960 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.663 2.975 7.827 1.00 0.00 O ATOM 0 H ASP A 62 10.221 5.430 10.110 1.00 0.00 H new ATOM 0 HA ASP A 62 9.859 3.402 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.897 4.855 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.254 4.068 9.899 1.00 0.00 H new ATOM 983 N SER A 63 9.908 1.177 9.230 1.00 0.00 N ATOM 984 CA SER A 63 9.781 -0.150 9.913 1.00 0.00 C ATOM 985 C SER A 63 8.403 -0.296 10.566 1.00 0.00 C ATOM 986 O SER A 63 8.070 -1.339 11.089 1.00 0.00 O ATOM 987 CB SER A 63 10.878 -0.307 10.980 1.00 0.00 C ATOM 988 OG SER A 63 12.041 0.397 10.565 1.00 0.00 O ATOM 0 H SER A 63 9.762 1.148 8.221 1.00 0.00 H new ATOM 0 HA SER A 63 9.896 -0.930 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.528 0.079 11.938 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.110 -1.362 11.127 1.00 0.00 H new ATOM 0 HG SER A 63 12.741 0.300 11.243 1.00 0.00 H new ATOM 994 N ASP A 64 7.594 0.731 10.550 1.00 0.00 N ATOM 995 CA ASP A 64 6.248 0.611 11.182 1.00 0.00 C ATOM 996 C ASP A 64 5.281 -0.094 10.226 1.00 0.00 C ATOM 997 O ASP A 64 5.320 0.092 9.022 1.00 0.00 O ATOM 998 CB ASP A 64 5.713 2.006 11.543 1.00 0.00 C ATOM 999 CG ASP A 64 6.290 2.440 12.896 1.00 0.00 C ATOM 1000 OD1 ASP A 64 7.321 1.909 13.275 1.00 0.00 O ATOM 1001 OD2 ASP A 64 5.690 3.293 13.529 1.00 0.00 O ATOM 0 H ASP A 64 7.804 1.637 10.132 1.00 0.00 H new ATOM 0 HA ASP A 64 6.334 0.019 12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.989 2.724 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.624 1.989 11.588 1.00 0.00 H new ATOM 1006 N VAL A 65 4.411 -0.910 10.767 1.00 0.00 N ATOM 1007 CA VAL A 65 3.422 -1.641 9.924 1.00 0.00 C ATOM 1008 C VAL A 65 2.151 -0.800 9.826 1.00 0.00 C ATOM 1009 O VAL A 65 1.558 -0.439 10.827 1.00 0.00 O ATOM 1010 CB VAL A 65 3.078 -2.987 10.575 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.225 -3.818 9.612 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.361 -3.759 10.897 1.00 0.00 C ATOM 0 H VAL A 65 4.345 -1.101 11.767 1.00 0.00 H new ATOM 0 HA VAL A 65 3.843 -1.816 8.934 1.00 0.00 H new ATOM 0 HB VAL A 65 2.526 -2.802 11.496 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.981 -4.774 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.305 -3.280 9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.781 -3.992 8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.106 -4.713 11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.918 -3.939 9.977 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.974 -3.176 11.584 1.00 0.00 H new ATOM 1022 N VAL A 66 1.725 -0.485 8.630 1.00 0.00 N ATOM 1023 CA VAL A 66 0.490 0.339 8.464 1.00 0.00 C ATOM 1024 C VAL A 66 -0.368 -0.219 7.328 1.00 0.00 C ATOM 1025 O VAL A 66 0.100 -0.949 6.469 1.00 0.00 O ATOM 1026 CB VAL A 66 0.889 1.781 8.145 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.688 2.362 9.316 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.751 1.804 6.879 1.00 0.00 C ATOM 0 H VAL A 66 2.179 -0.763 7.760 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.088 0.310 9.387 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.008 2.379 7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.972 3.389 9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.076 2.346 10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.585 1.764 9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.036 2.831 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.648 1.206 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.184 1.391 6.045 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.628 0.137 7.325 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.570 -0.330 6.266 1.00 0.00 C ATOM 1040 C ARG A 67 -3.173 0.889 5.572 1.00 0.00 C ATOM 1041 O ARG A 67 -3.723 1.764 6.212 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.685 -1.156 6.912 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.628 -1.682 5.827 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.706 -2.560 6.465 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.517 -3.199 5.393 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.499 -4.000 5.704 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.778 -4.236 6.957 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.202 -4.564 4.760 1.00 0.00 N ATOM 0 H ARG A 67 -2.050 0.744 8.027 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.041 -0.945 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.258 -1.988 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.239 -0.544 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.090 -0.849 5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.066 -2.256 5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.246 -3.323 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.345 -1.959 7.111 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.305 -3.010 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.228 -3.794 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.546 -4.862 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.983 -4.378 3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.970 -5.190 5.001 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.075 0.953 4.266 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.642 2.115 3.517 1.00 0.00 C ATOM 1064 C ILE A 68 -4.858 1.644 2.724 1.00 0.00 C ATOM 1065 O ILE A 68 -4.792 0.686 1.979 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.581 2.671 2.562 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.347 3.079 3.374 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.138 3.901 1.837 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.190 3.418 2.432 1.00 0.00 C ATOM 0 H ILE A 68 -2.624 0.246 3.685 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.940 2.899 4.213 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.311 1.911 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.582 3.940 4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.057 2.268 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.383 4.296 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.024 3.618 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.404 4.665 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.683 3.707 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.053 2.546 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.480 4.243 1.782 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.969 2.316 2.887 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.217 1.931 2.162 1.00 0.00 C ATOM 1083 C ASP A 69 -7.614 3.042 1.188 1.00 0.00 C ATOM 1084 O ASP A 69 -7.479 4.212 1.486 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.334 1.725 3.189 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.044 0.462 4.003 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.199 -0.312 3.580 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.671 0.288 5.035 1.00 0.00 O ATOM 0 H ASP A 69 -6.065 3.126 3.500 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.051 1.012 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.401 2.590 3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.296 1.634 2.684 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.100 2.678 0.027 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.515 3.703 -0.978 1.00 0.00 C ATOM 1095 C ASN A 70 -7.299 4.529 -1.404 1.00 0.00 C ATOM 1096 O ASN A 70 -7.393 5.721 -1.624 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.579 4.625 -0.370 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.294 5.395 -1.482 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.558 4.856 -2.536 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.620 6.644 -1.289 1.00 0.00 N ATOM 0 H ASN A 70 -8.227 1.710 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.933 3.201 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.299 4.038 0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.114 5.322 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.097 7.166 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.398 7.098 -0.403 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.164 3.898 -1.539 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.944 4.633 -1.971 1.00 0.00 C ATOM 1109 C ALA A 71 -5.118 5.063 -3.428 1.00 0.00 C ATOM 1110 O ALA A 71 -5.667 4.333 -4.227 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.724 3.712 -1.848 1.00 0.00 C ATOM 0 H ALA A 71 -6.030 2.901 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.795 5.511 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.830 4.249 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.610 3.396 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.864 2.836 -2.481 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.656 6.238 -3.778 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.798 6.720 -5.187 1.00 0.00 C ATOM 1119 C ARG A 72 -3.534 6.374 -5.978 1.00 0.00 C ATOM 1120 O ARG A 72 -2.437 6.765 -5.630 1.00 0.00 O ATOM 1121 CB ARG A 72 -5.001 8.240 -5.181 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.213 8.743 -6.611 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.591 10.227 -6.580 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.451 11.025 -6.049 1.00 0.00 N ATOM 1125 CZ ARG A 72 -4.591 12.309 -5.841 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -5.730 12.892 -6.103 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -3.593 13.007 -5.373 1.00 0.00 N ATOM 0 H ARG A 72 -4.185 6.886 -3.147 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.657 6.238 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.862 8.498 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.133 8.730 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.305 8.600 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.000 8.167 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.850 10.567 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.472 10.375 -5.956 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.561 10.570 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.510 12.346 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.840 13.893 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.703 12.552 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.702 14.008 -5.211 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.690 5.634 -7.042 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.517 5.242 -7.874 1.00 0.00 C ATOM 1143 C VAL A 73 -2.164 6.379 -8.835 1.00 0.00 C ATOM 1144 O VAL A 73 -3.021 6.938 -9.490 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.862 3.984 -8.673 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.614 3.477 -9.398 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.372 2.899 -7.720 1.00 0.00 C ATOM 0 H VAL A 73 -4.588 5.281 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.663 5.041 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.635 4.221 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.862 2.581 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.249 4.248 -10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.840 3.241 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.618 2.002 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.599 2.664 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.263 3.257 -7.204 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.906 6.721 -8.923 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.479 7.821 -9.841 1.00 0.00 C ATOM 1159 C ALA A 74 0.840 7.431 -10.508 1.00 0.00 C ATOM 1160 O ALA A 74 1.593 6.634 -9.985 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.279 9.105 -9.034 1.00 0.00 C ATOM 0 H ALA A 74 -0.150 6.284 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.242 7.984 -10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.032 9.909 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.215 9.379 -8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.489 8.943 -8.277 1.00 0.00 H new ATOM 1167 N GLN A 75 1.123 7.987 -11.662 1.00 0.00 N ATOM 1168 CA GLN A 75 2.396 7.655 -12.379 1.00 0.00 C ATOM 1169 C GLN A 75 3.282 8.898 -12.439 1.00 0.00 C ATOM 1170 O GLN A 75 2.928 9.895 -13.035 1.00 0.00 O ATOM 1171 CB GLN A 75 2.070 7.192 -13.802 1.00 0.00 C ATOM 1172 CG GLN A 75 3.366 6.829 -14.526 1.00 0.00 C ATOM 1173 CD GLN A 75 3.035 6.218 -15.888 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.202 6.728 -16.610 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.660 5.140 -16.273 1.00 0.00 N ATOM 0 H GLN A 75 0.524 8.660 -12.141 1.00 0.00 H new ATOM 0 HA GLN A 75 2.919 6.860 -11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.403 6.330 -13.772 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.547 7.981 -14.342 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.984 7.717 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.943 6.123 -13.929 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.360 4.712 -15.666 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.449 4.725 -17.181 1.00 0.00 H new ATOM 1184 N PHE A 76 4.442 8.834 -11.830 1.00 0.00 N ATOM 1185 CA PHE A 76 5.384 9.999 -11.841 1.00 0.00 C ATOM 1186 C PHE A 76 6.720 9.566 -12.448 1.00 0.00 C ATOM 1187 O PHE A 76 7.245 8.517 -12.136 1.00 0.00 O ATOM 1188 CB PHE A 76 5.601 10.488 -10.404 1.00 0.00 C ATOM 1189 CG PHE A 76 4.375 11.246 -9.942 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.139 12.540 -10.419 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.474 10.655 -9.047 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.004 13.245 -10.001 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.339 11.360 -8.630 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.104 12.655 -9.107 1.00 0.00 C ATOM 0 H PHE A 76 4.780 8.017 -11.321 1.00 0.00 H new ATOM 0 HA PHE A 76 4.963 10.808 -12.438 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.789 9.641 -9.744 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.480 11.131 -10.355 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.833 12.995 -11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.655 9.656 -8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.823 14.244 -10.369 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.644 10.905 -7.940 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.228 13.199 -8.785 1.00 0.00 H new ATOM 1204 N ASN A 77 7.264 10.371 -13.320 1.00 0.00 N ATOM 1205 CA ASN A 77 8.564 10.031 -13.968 1.00 0.00 C ATOM 1206 C ASN A 77 8.464 8.656 -14.635 1.00 0.00 C ATOM 1207 O ASN A 77 9.439 7.941 -14.756 1.00 0.00 O ATOM 1208 CB ASN A 77 9.682 10.015 -12.921 1.00 0.00 C ATOM 1209 CG ASN A 77 9.976 11.449 -12.477 1.00 0.00 C ATOM 1210 OD1 ASN A 77 9.623 12.392 -13.156 1.00 0.00 O ATOM 1211 ND2 ASN A 77 10.611 11.657 -11.356 1.00 0.00 N ATOM 0 H ASN A 77 6.859 11.260 -13.614 1.00 0.00 H new ATOM 0 HA ASN A 77 8.793 10.783 -14.723 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.386 9.410 -12.064 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.580 9.559 -13.338 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.810 12.610 -11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.908 10.867 -10.784 1.00 0.00 H new ATOM 1218 N GLY A 78 7.295 8.291 -15.092 1.00 0.00 N ATOM 1219 CA GLY A 78 7.138 6.974 -15.773 1.00 0.00 C ATOM 1220 C GLY A 78 7.126 5.845 -14.741 1.00 0.00 C ATOM 1221 O GLY A 78 7.144 4.682 -15.089 1.00 0.00 O ATOM 0 H GLY A 78 6.443 8.848 -15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.212 6.961 -16.348 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.954 6.822 -16.480 1.00 0.00 H new ATOM 1225 N TYR A 79 7.102 6.178 -13.472 1.00 0.00 N ATOM 1226 CA TYR A 79 7.096 5.129 -12.402 1.00 0.00 C ATOM 1227 C TYR A 79 5.776 5.179 -11.629 1.00 0.00 C ATOM 1228 O TYR A 79 5.293 6.234 -11.264 1.00 0.00 O ATOM 1229 CB TYR A 79 8.263 5.386 -11.448 1.00 0.00 C ATOM 1230 CG TYR A 79 9.558 5.102 -12.171 1.00 0.00 C ATOM 1231 CD1 TYR A 79 9.997 3.782 -12.320 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.315 6.157 -12.698 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.192 3.513 -12.995 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.512 5.888 -13.374 1.00 0.00 C ATOM 1235 CZ TYR A 79 11.950 4.567 -13.522 1.00 0.00 C ATOM 1236 OH TYR A 79 13.129 4.301 -14.189 1.00 0.00 O ATOM 0 H TYR A 79 7.086 7.139 -13.129 1.00 0.00 H new ATOM 0 HA TYR A 79 7.200 4.144 -12.856 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.245 6.419 -11.100 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.176 4.751 -10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.413 2.970 -11.913 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.976 7.176 -12.583 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.530 2.494 -13.110 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.097 6.700 -13.781 1.00 0.00 H new ATOM 0 HH TYR A 79 13.530 5.142 -14.492 1.00 0.00 H new ATOM 1246 N LEU A 80 5.191 4.039 -11.385 1.00 0.00 N ATOM 1247 CA LEU A 80 3.899 3.992 -10.645 1.00 0.00 C ATOM 1248 C LEU A 80 4.141 4.236 -9.155 1.00 0.00 C ATOM 1249 O LEU A 80 5.149 3.838 -8.604 1.00 0.00 O ATOM 1250 CB LEU A 80 3.262 2.616 -10.837 1.00 0.00 C ATOM 1251 CG LEU A 80 3.065 2.338 -12.332 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.486 0.932 -12.506 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.103 3.374 -12.941 1.00 0.00 C ATOM 0 H LEU A 80 5.556 3.130 -11.669 1.00 0.00 H new ATOM 0 HA LEU A 80 3.235 4.766 -11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.896 1.847 -10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.303 2.574 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 80 4.025 2.409 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.343 0.726 -13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.175 0.200 -12.084 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.527 0.867 -11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.970 3.167 -14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.138 3.316 -12.437 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.518 4.374 -12.815 1.00 0.00 H new ATOM 1265 N SER A 81 3.216 4.884 -8.500 1.00 0.00 N ATOM 1266 CA SER A 81 3.372 5.154 -7.043 1.00 0.00 C ATOM 1267 C SER A 81 1.992 5.333 -6.415 1.00 0.00 C ATOM 1268 O SER A 81 1.015 5.570 -7.099 1.00 0.00 O ATOM 1269 CB SER A 81 4.197 6.426 -6.841 1.00 0.00 C ATOM 1270 OG SER A 81 3.353 7.561 -6.982 1.00 0.00 O ATOM 0 H SER A 81 2.355 5.240 -8.914 1.00 0.00 H new ATOM 0 HA SER A 81 3.884 4.316 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.657 6.421 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.006 6.468 -7.570 1.00 0.00 H new ATOM 0 HG SER A 81 3.879 8.378 -6.852 1.00 0.00 H new ATOM 1276 N LEU A 82 1.903 5.216 -5.115 1.00 0.00 N ATOM 1277 CA LEU A 82 0.584 5.370 -4.423 1.00 0.00 C ATOM 1278 C LEU A 82 0.555 6.698 -3.672 1.00 0.00 C ATOM 1279 O LEU A 82 1.441 7.008 -2.898 1.00 0.00 O ATOM 1280 CB LEU A 82 0.402 4.218 -3.433 1.00 0.00 C ATOM 1281 CG LEU A 82 0.503 2.879 -4.175 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.376 1.732 -3.168 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.618 2.771 -5.225 1.00 0.00 C ATOM 0 H LEU A 82 2.691 5.019 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.221 5.354 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.162 4.271 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.566 4.299 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 82 1.467 2.820 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.447 0.779 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.177 1.803 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.587 1.797 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.538 1.817 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.587 2.834 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.524 3.586 -5.943 1.00 0.00 H new ATOM 1295 N SER A 83 -0.463 7.485 -3.901 1.00 0.00 N ATOM 1296 CA SER A 83 -0.579 8.806 -3.215 1.00 0.00 C ATOM 1297 C SER A 83 -1.561 8.686 -2.046 1.00 0.00 C ATOM 1298 O SER A 83 -2.689 8.270 -2.214 1.00 0.00 O ATOM 1299 CB SER A 83 -1.098 9.845 -4.213 1.00 0.00 C ATOM 1300 OG SER A 83 -0.034 10.248 -5.066 1.00 0.00 O ATOM 0 H SER A 83 -1.227 7.267 -4.541 1.00 0.00 H new ATOM 0 HA SER A 83 0.397 9.114 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.913 9.425 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.500 10.708 -3.682 1.00 0.00 H new ATOM 0 HG SER A 83 -0.363 10.912 -5.708 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.134 9.049 -0.862 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.029 8.969 0.337 1.00 0.00 C ATOM 1308 C VAL A 84 -2.342 10.385 0.823 1.00 0.00 C ATOM 1309 O VAL A 84 -1.457 11.200 0.999 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.320 8.186 1.448 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.343 7.723 2.487 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.625 6.966 0.840 1.00 0.00 C ATOM 0 H VAL A 84 -0.196 9.401 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.957 8.461 0.074 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.583 8.828 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.835 7.167 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.841 8.591 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.082 7.081 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.119 6.406 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.366 6.328 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.106 7.294 0.101 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.596 10.687 1.038 1.00 0.00 N ATOM 1323 CA GLY A 85 -3.968 12.051 1.509 1.00 0.00 C ATOM 1324 C GLY A 85 -5.276 11.991 2.298 1.00 0.00 C ATOM 1325 O GLY A 85 -5.576 11.015 2.956 1.00 0.00 O ATOM 0 H GLY A 85 -4.378 10.046 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.174 12.458 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.078 12.722 0.657 1.00 0.00 H new ATOM 1329 N ASP A 86 -6.046 13.042 2.247 1.00 0.00 N ATOM 1330 CA ASP A 86 -7.332 13.077 2.998 1.00 0.00 C ATOM 1331 C ASP A 86 -8.275 11.987 2.485 1.00 0.00 C ATOM 1332 O ASP A 86 -8.946 11.324 3.249 1.00 0.00 O ATOM 1333 CB ASP A 86 -7.986 14.445 2.794 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.204 15.506 3.571 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -6.423 15.127 4.428 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -7.401 16.678 3.297 1.00 0.00 O ATOM 0 H ASP A 86 -5.838 13.885 1.713 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.136 12.905 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.005 14.696 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.021 14.419 3.134 1.00 0.00 H new ATOM 1341 N SER A 87 -8.343 11.812 1.195 1.00 0.00 N ATOM 1342 CA SER A 87 -9.257 10.781 0.624 1.00 0.00 C ATOM 1343 C SER A 87 -8.872 9.391 1.133 1.00 0.00 C ATOM 1344 O SER A 87 -9.719 8.584 1.459 1.00 0.00 O ATOM 1345 CB SER A 87 -9.156 10.806 -0.901 1.00 0.00 C ATOM 1346 OG SER A 87 -9.494 12.103 -1.372 1.00 0.00 O ATOM 0 H SER A 87 -7.804 12.340 0.509 1.00 0.00 H new ATOM 0 HA SER A 87 -10.279 11.002 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.145 10.545 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.826 10.063 -1.334 1.00 0.00 H new ATOM 0 HG SER A 87 -9.429 12.123 -2.350 1.00 0.00 H new ATOM 1352 N SER A 88 -7.602 9.099 1.188 1.00 0.00 N ATOM 1353 CA SER A 88 -7.162 7.754 1.659 1.00 0.00 C ATOM 1354 C SER A 88 -7.215 7.679 3.186 1.00 0.00 C ATOM 1355 O SER A 88 -7.329 8.679 3.866 1.00 0.00 O ATOM 1356 CB SER A 88 -5.733 7.496 1.183 1.00 0.00 C ATOM 1357 OG SER A 88 -4.916 8.607 1.527 1.00 0.00 O ATOM 0 H SER A 88 -6.848 9.734 0.927 1.00 0.00 H new ATOM 0 HA SER A 88 -7.831 6.998 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.343 6.587 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.719 7.340 0.104 1.00 0.00 H new ATOM 0 HG SER A 88 -5.407 9.198 2.136 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.132 6.484 3.724 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.171 6.297 5.211 1.00 0.00 C ATOM 1365 C ARG A 89 -5.962 5.465 5.648 1.00 0.00 C ATOM 1366 O ARG A 89 -5.668 4.433 5.075 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.457 5.558 5.598 1.00 0.00 C ATOM 1368 CG ARG A 89 -8.537 5.427 7.122 1.00 0.00 C ATOM 1369 CD ARG A 89 -9.853 4.747 7.505 1.00 0.00 C ATOM 1370 NE ARG A 89 -10.988 5.650 7.174 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.216 5.266 7.390 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.453 4.086 7.897 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -13.207 6.063 7.099 1.00 0.00 N ATOM 0 H ARG A 89 -7.038 5.620 3.190 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.146 7.270 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.326 6.099 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.474 4.570 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.693 4.845 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.475 6.411 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.957 3.803 6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.858 4.513 8.570 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.806 6.572 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.678 3.464 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.413 3.787 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.021 6.985 6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.168 5.765 7.267 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.266 5.905 6.670 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.073 5.150 7.174 1.00 0.00 C ATOM 1389 C ILE A 90 -4.376 4.612 8.573 1.00 0.00 C ATOM 1390 O ILE A 90 -4.808 5.341 9.443 1.00 0.00 O ATOM 1391 CB ILE A 90 -2.865 6.089 7.252 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.549 6.626 5.848 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.654 5.325 7.802 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.409 7.657 5.904 1.00 0.00 C ATOM 0 H ILE A 90 -5.475 6.763 7.181 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.852 4.326 6.496 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.091 6.923 7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.268 5.802 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.440 7.085 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.796 5.995 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.884 4.947 8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.421 4.489 7.142 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.201 8.025 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.703 8.491 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.513 7.187 6.311 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.145 3.342 8.798 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.408 2.748 10.146 1.00 0.00 C ATOM 1408 C GLU A 91 -3.195 1.917 10.572 1.00 0.00 C ATOM 1409 O GLU A 91 -2.772 1.011 9.882 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.653 1.856 10.075 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.023 1.370 11.479 1.00 0.00 C ATOM 1412 CD GLU A 91 -6.489 2.557 12.325 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -6.882 3.556 11.744 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -6.443 2.448 13.538 1.00 0.00 O ATOM 0 H GLU A 91 -3.784 2.688 8.103 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.578 3.541 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.485 2.411 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.464 1.003 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.812 0.620 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.163 0.891 11.948 1.00 0.00 H new ATOM 1421 N SER A 92 -2.628 2.228 11.705 1.00 0.00 N ATOM 1422 CA SER A 92 -1.438 1.470 12.184 1.00 0.00 C ATOM 1423 C SER A 92 -1.872 0.117 12.747 1.00 0.00 C ATOM 1424 O SER A 92 -3.000 -0.057 13.164 1.00 0.00 O ATOM 1425 CB SER A 92 -0.738 2.272 13.281 1.00 0.00 C ATOM 1426 OG SER A 92 -1.414 2.066 14.515 1.00 0.00 O ATOM 0 H SER A 92 -2.939 2.978 12.322 1.00 0.00 H new ATOM 0 HA SER A 92 -0.756 1.308 11.349 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.303 1.961 13.367 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.735 3.332 13.027 1.00 0.00 H new ATOM 0 HG SER A 92 -0.968 2.577 15.222 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.979 -0.841 12.772 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.324 -2.190 13.322 1.00 0.00 C ATOM 1434 C VAL A 93 -0.179 -2.679 14.210 1.00 0.00 C ATOM 1435 O VAL A 93 -0.126 -3.829 14.600 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.547 -3.171 12.171 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -2.633 -2.622 11.245 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -0.248 -3.345 11.382 1.00 0.00 C ATOM 0 H VAL A 93 -0.021 -0.747 12.434 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.237 -2.124 13.913 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.857 -4.136 12.572 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.796 -3.318 10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.560 -2.499 11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.318 -1.657 10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.411 -4.045 10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.065 -2.382 10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.529 -3.733 12.041 1.00 0.00 H new