USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 HIS : no HD1:sc= -10.8! C(o=-11!,f=-11!) USER MOD Set 1.2: A 110 LYS NZ :NH3+ 153:sc= -0.0117 (180deg=-0.991) USER MOD Set 2.1: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 107 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 16 CYS SG : rot -126:sc= -0.185 USER MOD Single : A 17 GLN : amide:sc= -0.295 K(o=-0.29,f=-4!) USER MOD Single : A 19 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.31) USER MOD Single : A 20 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 23 TYR OH : rot 50:sc= -2.67 USER MOD Single : A 27 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-0.81) USER MOD Single : A 29 SER OG : rot -39:sc= 0.0396 USER MOD Single : A 34 SER OG : rot 103:sc= 0.677 USER MOD Single : A 42 CYS SG : rot 62:sc= -1.93 USER MOD Single : A 46 TYR OH : rot 85:sc= 1.5 USER MOD Single : A 49 GLN : amide:sc= -1.55 K(o=-1.5,f=-0.59) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.05 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.27) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -3.14! C(o=-3.1!,f=-10!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 30:sc= -0.54 USER MOD Single : A 104 HIS : no HD1:sc= -1.43 K(o=-1.4,f=0.097) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 34:sc= 0.863 USER MOD Single : A 115 SER OG : rot 180:sc= -0.143 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.396 -26.541 -1.780 1.00 0.00 N ATOM 2 CA GLY A 1 10.982 -25.580 -2.695 1.00 0.00 C ATOM 3 C GLY A 1 10.414 -25.691 -4.096 1.00 0.00 C ATOM 4 O GLY A 1 10.678 -26.661 -4.804 1.00 0.00 O ATOM 0 H1 GLY A 1 10.818 -26.424 -0.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.370 -26.384 -1.722 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.580 -27.505 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.812 -24.572 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.061 -25.729 -2.731 1.00 0.00 H new ATOM 8 N SER A 2 9.630 -24.695 -4.495 1.00 0.00 N ATOM 9 CA SER A 2 9.018 -24.688 -5.818 1.00 0.00 C ATOM 10 C SER A 2 8.884 -23.263 -6.347 1.00 0.00 C ATOM 11 O SER A 2 8.971 -22.297 -5.590 1.00 0.00 O ATOM 12 CB SER A 2 7.642 -25.357 -5.771 1.00 0.00 C ATOM 13 OG SER A 2 6.781 -24.689 -4.867 1.00 0.00 O ATOM 0 H SER A 2 9.404 -23.883 -3.921 1.00 0.00 H new ATOM 0 HA SER A 2 9.665 -25.249 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.200 -25.356 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.751 -26.399 -5.471 1.00 0.00 H new ATOM 0 HG SER A 2 5.908 -25.135 -4.857 1.00 0.00 H new ATOM 19 N SER A 3 8.673 -23.141 -7.654 1.00 0.00 N ATOM 20 CA SER A 3 8.531 -21.835 -8.287 1.00 0.00 C ATOM 21 C SER A 3 7.373 -21.835 -9.279 1.00 0.00 C ATOM 22 O SER A 3 7.373 -22.591 -10.250 1.00 0.00 O ATOM 23 CB SER A 3 9.828 -21.445 -8.998 1.00 0.00 C ATOM 24 OG SER A 3 9.753 -20.127 -9.511 1.00 0.00 O ATOM 0 H SER A 3 8.597 -23.931 -8.295 1.00 0.00 H new ATOM 0 HA SER A 3 8.319 -21.103 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.664 -21.521 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.025 -22.144 -9.811 1.00 0.00 H new ATOM 0 HG SER A 3 10.595 -19.902 -9.959 1.00 0.00 H new ATOM 30 N GLY A 4 6.385 -20.981 -9.029 1.00 0.00 N ATOM 31 CA GLY A 4 5.234 -20.898 -9.908 1.00 0.00 C ATOM 32 C GLY A 4 4.148 -19.995 -9.358 1.00 0.00 C ATOM 33 O GLY A 4 3.504 -20.324 -8.362 1.00 0.00 O ATOM 0 H GLY A 4 6.362 -20.345 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.551 -20.527 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.827 -21.897 -10.064 1.00 0.00 H new ATOM 37 N SER A 5 3.944 -18.853 -10.008 1.00 0.00 N ATOM 38 CA SER A 5 2.931 -17.898 -9.574 1.00 0.00 C ATOM 39 C SER A 5 1.546 -18.316 -10.059 1.00 0.00 C ATOM 40 O SER A 5 1.407 -18.940 -11.110 1.00 0.00 O ATOM 41 CB SER A 5 3.265 -16.498 -10.094 1.00 0.00 C ATOM 42 OG SER A 5 4.528 -16.066 -9.619 1.00 0.00 O ATOM 0 H SER A 5 4.466 -18.567 -10.836 1.00 0.00 H new ATOM 0 HA SER A 5 2.925 -17.882 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.265 -16.502 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.494 -15.795 -9.777 1.00 0.00 H new ATOM 0 HG SER A 5 4.719 -15.170 -9.966 1.00 0.00 H new ATOM 48 N SER A 6 0.524 -17.967 -9.283 1.00 0.00 N ATOM 49 CA SER A 6 -0.850 -18.309 -9.630 1.00 0.00 C ATOM 50 C SER A 6 -1.669 -17.052 -9.904 1.00 0.00 C ATOM 51 O SER A 6 -2.866 -17.126 -10.183 1.00 0.00 O ATOM 52 CB SER A 6 -1.497 -19.119 -8.504 1.00 0.00 C ATOM 53 OG SER A 6 -1.658 -18.330 -7.338 1.00 0.00 O ATOM 0 H SER A 6 0.622 -17.448 -8.410 1.00 0.00 H new ATOM 0 HA SER A 6 -0.830 -18.914 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.467 -19.493 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.881 -19.989 -8.277 1.00 0.00 H new ATOM 0 HG SER A 6 -2.075 -18.869 -6.633 1.00 0.00 H new ATOM 59 N GLY A 7 -1.016 -15.897 -9.822 1.00 0.00 N ATOM 60 CA GLY A 7 -1.699 -14.639 -10.062 1.00 0.00 C ATOM 61 C GLY A 7 -3.010 -14.537 -9.307 1.00 0.00 C ATOM 62 O GLY A 7 -4.083 -14.523 -9.909 1.00 0.00 O ATOM 0 H GLY A 7 -0.026 -15.810 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.049 -13.815 -9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.889 -14.530 -11.130 1.00 0.00 H new ATOM 66 N THR A 8 -2.922 -14.467 -7.982 1.00 0.00 N ATOM 67 CA THR A 8 -4.110 -14.369 -7.143 1.00 0.00 C ATOM 68 C THR A 8 -3.839 -13.523 -5.904 1.00 0.00 C ATOM 69 O THR A 8 -2.739 -13.551 -5.352 1.00 0.00 O ATOM 70 CB THR A 8 -4.604 -15.759 -6.703 1.00 0.00 C ATOM 71 OG1 THR A 8 -4.692 -16.630 -7.837 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.963 -15.662 -6.026 1.00 0.00 C ATOM 0 H THR A 8 -2.041 -14.476 -7.468 1.00 0.00 H new ATOM 0 HA THR A 8 -4.883 -13.891 -7.745 1.00 0.00 H new ATOM 0 HB THR A 8 -3.888 -16.164 -5.988 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.005 -17.512 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.291 -16.657 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.887 -15.023 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.687 -15.237 -6.722 1.00 0.00 H new ATOM 80 N GLN A 9 -4.848 -12.773 -5.472 1.00 0.00 N ATOM 81 CA GLN A 9 -4.717 -11.919 -4.297 1.00 0.00 C ATOM 82 C GLN A 9 -3.858 -12.591 -3.230 1.00 0.00 C ATOM 83 O GLN A 9 -3.055 -11.936 -2.566 1.00 0.00 O ATOM 84 CB GLN A 9 -6.096 -11.588 -3.724 1.00 0.00 C ATOM 85 CG GLN A 9 -6.945 -10.725 -4.643 1.00 0.00 C ATOM 86 CD GLN A 9 -8.406 -10.705 -4.240 1.00 0.00 C ATOM 87 OE1 GLN A 9 -8.749 -10.985 -3.091 1.00 0.00 O ATOM 88 NE2 GLN A 9 -9.277 -10.374 -5.187 1.00 0.00 N ATOM 0 H GLN A 9 -5.765 -12.739 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.228 -10.994 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.627 -12.517 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.971 -11.075 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.557 -9.706 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.859 -11.095 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.948 -10.149 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.274 -10.345 -4.975 1.00 0.00 H new ATOM 97 N GLU A 10 -4.033 -13.898 -3.072 1.00 0.00 N ATOM 98 CA GLU A 10 -3.275 -14.656 -2.085 1.00 0.00 C ATOM 99 C GLU A 10 -1.855 -14.110 -1.952 1.00 0.00 C ATOM 100 O GLU A 10 -1.438 -13.693 -0.873 1.00 0.00 O ATOM 101 CB GLU A 10 -3.229 -16.136 -2.469 1.00 0.00 C ATOM 102 CG GLU A 10 -2.888 -17.056 -1.308 1.00 0.00 C ATOM 103 CD GLU A 10 -1.396 -17.286 -1.166 1.00 0.00 C ATOM 104 OE1 GLU A 10 -0.794 -17.866 -2.094 1.00 0.00 O ATOM 105 OE2 GLU A 10 -0.831 -16.888 -0.126 1.00 0.00 O ATOM 0 H GLU A 10 -4.693 -14.454 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.778 -14.553 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.196 -16.426 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.492 -16.275 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.276 -16.628 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.388 -18.014 -1.449 1.00 0.00 H new ATOM 112 N GLU A 11 -1.120 -14.118 -3.060 1.00 0.00 N ATOM 113 CA GLU A 11 0.253 -13.625 -3.068 1.00 0.00 C ATOM 114 C GLU A 11 0.292 -12.122 -2.807 1.00 0.00 C ATOM 115 O GLU A 11 1.219 -11.615 -2.172 1.00 0.00 O ATOM 116 CB GLU A 11 0.923 -13.938 -4.407 1.00 0.00 C ATOM 117 CG GLU A 11 0.329 -13.175 -5.579 1.00 0.00 C ATOM 118 CD GLU A 11 1.270 -13.102 -6.765 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.497 -13.027 -6.546 1.00 0.00 O ATOM 120 OE2 GLU A 11 0.779 -13.121 -7.914 1.00 0.00 O ATOM 0 H GLU A 11 -1.451 -14.460 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 11 0.798 -14.130 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.986 -13.706 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.843 -15.007 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.600 -13.655 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.075 -12.165 -5.259 1.00 0.00 H new ATOM 127 N LEU A 12 -0.717 -11.415 -3.300 1.00 0.00 N ATOM 128 CA LEU A 12 -0.799 -9.969 -3.122 1.00 0.00 C ATOM 129 C LEU A 12 -0.815 -9.604 -1.640 1.00 0.00 C ATOM 130 O LEU A 12 0.032 -8.846 -1.168 1.00 0.00 O ATOM 131 CB LEU A 12 -2.051 -9.420 -3.807 1.00 0.00 C ATOM 132 CG LEU A 12 -2.133 -7.899 -3.937 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.882 -7.351 -4.603 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.376 -7.496 -4.718 1.00 0.00 C ATOM 0 H LEU A 12 -1.491 -11.819 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 12 0.083 -9.521 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.114 -9.854 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.924 -9.765 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.203 -7.472 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.959 -6.267 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.009 -7.607 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.779 -7.785 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.418 -6.410 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.337 -7.934 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.264 -7.855 -4.198 1.00 0.00 H new ATOM 146 N LEU A 13 -1.785 -10.150 -0.913 1.00 0.00 N ATOM 147 CA LEU A 13 -1.910 -9.883 0.516 1.00 0.00 C ATOM 148 C LEU A 13 -0.602 -10.179 1.243 1.00 0.00 C ATOM 149 O LEU A 13 -0.113 -9.359 2.019 1.00 0.00 O ATOM 150 CB LEU A 13 -3.041 -10.723 1.113 1.00 0.00 C ATOM 151 CG LEU A 13 -2.969 -10.970 2.621 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.376 -9.720 3.387 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.850 -12.148 3.011 1.00 0.00 C ATOM 0 H LEU A 13 -2.495 -10.779 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.143 -8.826 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.988 -10.232 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.056 -11.688 0.607 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.938 -11.211 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.319 -9.915 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.704 -8.901 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.398 -9.447 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.786 -12.309 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.883 -11.936 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.512 -13.043 2.489 1.00 0.00 H new ATOM 165 N ARG A 14 -0.041 -11.356 0.983 1.00 0.00 N ATOM 166 CA ARG A 14 1.211 -11.759 1.612 1.00 0.00 C ATOM 167 C ARG A 14 2.318 -10.752 1.315 1.00 0.00 C ATOM 168 O ARG A 14 3.031 -10.315 2.219 1.00 0.00 O ATOM 169 CB ARG A 14 1.626 -13.148 1.124 1.00 0.00 C ATOM 170 CG ARG A 14 0.541 -14.200 1.285 1.00 0.00 C ATOM 171 CD ARG A 14 0.614 -14.872 2.647 1.00 0.00 C ATOM 172 NE ARG A 14 -0.060 -14.089 3.680 1.00 0.00 N ATOM 173 CZ ARG A 14 -0.399 -14.577 4.868 1.00 0.00 C ATOM 174 NH1 ARG A 14 -0.127 -15.839 5.172 1.00 0.00 N ATOM 175 NH2 ARG A 14 -1.010 -13.802 5.755 1.00 0.00 N ATOM 0 H ARG A 14 -0.433 -12.046 0.342 1.00 0.00 H new ATOM 0 HA ARG A 14 1.053 -11.791 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.906 -13.086 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.513 -13.466 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.438 -13.737 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.642 -14.951 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.160 -15.861 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.658 -15.016 2.925 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.282 -13.114 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.344 -16.437 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.388 -16.211 6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.220 -12.831 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.270 -14.178 6.667 1.00 0.00 H new ATOM 189 N TRP A 15 2.456 -10.390 0.045 1.00 0.00 N ATOM 190 CA TRP A 15 3.477 -9.435 -0.370 1.00 0.00 C ATOM 191 C TRP A 15 3.317 -8.111 0.369 1.00 0.00 C ATOM 192 O TRP A 15 4.290 -7.551 0.875 1.00 0.00 O ATOM 193 CB TRP A 15 3.402 -9.201 -1.880 1.00 0.00 C ATOM 194 CG TRP A 15 4.482 -8.300 -2.396 1.00 0.00 C ATOM 195 CD1 TRP A 15 5.770 -8.650 -2.692 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.370 -6.901 -2.677 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.464 -7.551 -3.138 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.628 -6.466 -3.139 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.329 -5.973 -2.583 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.870 -5.145 -3.506 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.571 -4.662 -2.948 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.833 -4.258 -3.404 1.00 0.00 C ATOM 0 H TRP A 15 1.874 -10.743 -0.715 1.00 0.00 H new ATOM 0 HA TRP A 15 4.452 -9.853 -0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.464 -10.161 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.431 -8.770 -2.126 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.181 -9.643 -2.590 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.444 -7.544 -3.422 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.353 -6.275 -2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.841 -4.831 -3.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.774 -3.937 -2.881 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.990 -3.226 -3.680 1.00 0.00 H new ATOM 213 N CYS A 16 2.086 -7.616 0.428 1.00 0.00 N ATOM 214 CA CYS A 16 1.800 -6.357 1.107 1.00 0.00 C ATOM 215 C CYS A 16 2.170 -6.439 2.584 1.00 0.00 C ATOM 216 O CYS A 16 2.685 -5.481 3.159 1.00 0.00 O ATOM 217 CB CYS A 16 0.320 -5.999 0.958 1.00 0.00 C ATOM 218 SG CYS A 16 -0.132 -5.399 -0.687 1.00 0.00 S ATOM 0 H CYS A 16 1.270 -8.067 0.014 1.00 0.00 H new ATOM 0 HA CYS A 16 2.404 -5.577 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.281 -6.878 1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.066 -5.236 1.694 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.727 -4.248 -0.581 1.00 0.00 H new ATOM 224 N GLN A 17 1.900 -7.590 3.193 1.00 0.00 N ATOM 225 CA GLN A 17 2.203 -7.795 4.605 1.00 0.00 C ATOM 226 C GLN A 17 3.691 -7.601 4.877 1.00 0.00 C ATOM 227 O GLN A 17 4.081 -6.725 5.648 1.00 0.00 O ATOM 228 CB GLN A 17 1.770 -9.196 5.042 1.00 0.00 C ATOM 229 CG GLN A 17 0.275 -9.323 5.286 1.00 0.00 C ATOM 230 CD GLN A 17 -0.090 -10.600 6.017 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.587 -11.620 5.885 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.167 -10.550 6.793 1.00 0.00 N ATOM 0 H GLN A 17 1.473 -8.393 2.732 1.00 0.00 H new ATOM 0 HA GLN A 17 1.649 -7.054 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.067 -9.914 4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.303 -9.464 5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.069 -8.466 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.249 -9.293 4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.698 -9.683 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.463 -11.379 7.309 1.00 0.00 H new ATOM 241 N GLU A 18 4.516 -8.426 4.238 1.00 0.00 N ATOM 242 CA GLU A 18 5.962 -8.344 4.413 1.00 0.00 C ATOM 243 C GLU A 18 6.444 -6.901 4.291 1.00 0.00 C ATOM 244 O GLU A 18 7.243 -6.435 5.102 1.00 0.00 O ATOM 245 CB GLU A 18 6.672 -9.220 3.379 1.00 0.00 C ATOM 246 CG GLU A 18 6.537 -10.709 3.648 1.00 0.00 C ATOM 247 CD GLU A 18 7.189 -11.557 2.573 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.417 -11.775 2.653 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.473 -12.001 1.651 1.00 0.00 O ATOM 0 H GLU A 18 4.209 -9.157 3.596 1.00 0.00 H new ATOM 0 HA GLU A 18 6.203 -8.705 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.269 -9.000 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.730 -8.958 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.987 -10.943 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.480 -10.967 3.719 1.00 0.00 H new ATOM 256 N GLN A 19 5.953 -6.203 3.273 1.00 0.00 N ATOM 257 CA GLN A 19 6.335 -4.814 3.045 1.00 0.00 C ATOM 258 C GLN A 19 5.820 -3.917 4.165 1.00 0.00 C ATOM 259 O GLN A 19 6.534 -3.040 4.651 1.00 0.00 O ATOM 260 CB GLN A 19 5.794 -4.330 1.698 1.00 0.00 C ATOM 261 CG GLN A 19 6.370 -5.079 0.507 1.00 0.00 C ATOM 262 CD GLN A 19 7.868 -5.285 0.616 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.633 -4.327 0.725 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.296 -6.542 0.587 1.00 0.00 N ATOM 0 H GLN A 19 5.290 -6.576 2.593 1.00 0.00 H new ATOM 0 HA GLN A 19 7.424 -4.760 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.709 -4.435 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.012 -3.268 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.879 -6.048 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.149 -4.527 -0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.627 -7.307 0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.294 -6.743 0.656 1.00 0.00 H new ATOM 273 N THR A 20 4.574 -4.141 4.572 1.00 0.00 N ATOM 274 CA THR A 20 3.962 -3.352 5.633 1.00 0.00 C ATOM 275 C THR A 20 4.137 -4.026 6.990 1.00 0.00 C ATOM 276 O THR A 20 3.339 -3.820 7.903 1.00 0.00 O ATOM 277 CB THR A 20 2.460 -3.129 5.374 1.00 0.00 C ATOM 278 OG1 THR A 20 1.782 -4.388 5.310 1.00 0.00 O ATOM 279 CG2 THR A 20 2.243 -2.364 4.077 1.00 0.00 C ATOM 0 H THR A 20 3.969 -4.863 4.182 1.00 0.00 H new ATOM 0 HA THR A 20 4.469 -2.387 5.641 1.00 0.00 H new ATOM 0 HB THR A 20 2.055 -2.540 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.984 -4.825 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.175 -2.218 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.736 -1.394 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.662 -2.931 3.246 1.00 0.00 H new ATOM 287 N ALA A 21 5.187 -4.831 7.113 1.00 0.00 N ATOM 288 CA ALA A 21 5.468 -5.534 8.360 1.00 0.00 C ATOM 289 C ALA A 21 6.367 -4.702 9.268 1.00 0.00 C ATOM 290 O ALA A 21 7.373 -4.148 8.825 1.00 0.00 O ATOM 291 CB ALA A 21 6.109 -6.883 8.072 1.00 0.00 C ATOM 0 H ALA A 21 5.857 -5.013 6.366 1.00 0.00 H new ATOM 0 HA ALA A 21 4.523 -5.696 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.313 -7.397 9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.431 -7.486 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.043 -6.734 7.530 1.00 0.00 H new ATOM 297 N GLY A 22 5.997 -4.616 10.542 1.00 0.00 N ATOM 298 CA GLY A 22 6.780 -3.848 11.492 1.00 0.00 C ATOM 299 C GLY A 22 6.096 -2.559 11.902 1.00 0.00 C ATOM 300 O GLY A 22 5.844 -2.331 13.085 1.00 0.00 O ATOM 0 H GLY A 22 5.169 -5.065 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.966 -4.454 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.751 -3.617 11.054 1.00 0.00 H new ATOM 304 N TYR A 23 5.795 -1.714 10.922 1.00 0.00 N ATOM 305 CA TYR A 23 5.138 -0.439 11.187 1.00 0.00 C ATOM 306 C TYR A 23 4.125 -0.574 12.319 1.00 0.00 C ATOM 307 O TYR A 23 3.250 -1.440 12.305 1.00 0.00 O ATOM 308 CB TYR A 23 4.444 0.073 9.924 1.00 0.00 C ATOM 309 CG TYR A 23 4.221 1.568 9.920 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.538 2.192 10.958 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.694 2.358 8.879 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.332 3.557 10.958 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.493 3.725 8.871 1.00 0.00 C ATOM 314 CZ TYR A 23 3.811 4.320 9.912 1.00 0.00 C ATOM 315 OH TYR A 23 3.608 5.681 9.910 1.00 0.00 O ATOM 0 H TYR A 23 5.995 -1.889 9.937 1.00 0.00 H new ATOM 0 HA TYR A 23 5.901 0.278 11.490 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.043 -0.199 9.055 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.483 -0.430 9.819 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.162 1.599 11.778 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.228 1.895 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.799 4.026 11.772 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.868 4.324 8.054 1.00 0.00 H new ATOM 0 HH TYR A 23 3.882 6.054 10.774 1.00 0.00 H new ATOM 325 N PRO A 24 4.243 0.306 13.325 1.00 0.00 N ATOM 326 CA PRO A 24 3.345 0.308 14.485 1.00 0.00 C ATOM 327 C PRO A 24 1.935 0.761 14.125 1.00 0.00 C ATOM 328 O PRO A 24 1.737 1.861 13.611 1.00 0.00 O ATOM 329 CB PRO A 24 4.001 1.309 15.439 1.00 0.00 C ATOM 330 CG PRO A 24 4.788 2.215 14.556 1.00 0.00 C ATOM 331 CD PRO A 24 5.262 1.365 13.409 1.00 0.00 C ATOM 0 HA PRO A 24 3.224 -0.689 14.909 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.253 1.862 16.008 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.643 0.805 16.162 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.175 3.043 14.201 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.630 2.650 15.094 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.324 1.937 12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.254 0.954 13.597 1.00 0.00 H new ATOM 339 N GLY A 25 0.955 -0.096 14.399 1.00 0.00 N ATOM 340 CA GLY A 25 -0.425 0.235 14.097 1.00 0.00 C ATOM 341 C GLY A 25 -0.909 -0.410 12.812 1.00 0.00 C ATOM 342 O GLY A 25 -2.075 -0.787 12.699 1.00 0.00 O ATOM 0 H GLY A 25 1.093 -1.013 14.824 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.061 -0.085 14.922 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.527 1.317 14.017 1.00 0.00 H new ATOM 346 N VAL A 26 -0.011 -0.536 11.841 1.00 0.00 N ATOM 347 CA VAL A 26 -0.352 -1.138 10.557 1.00 0.00 C ATOM 348 C VAL A 26 -0.584 -2.637 10.699 1.00 0.00 C ATOM 349 O VAL A 26 0.357 -3.406 10.904 1.00 0.00 O ATOM 350 CB VAL A 26 0.754 -0.898 9.513 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.445 -1.645 8.225 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.921 0.592 9.247 1.00 0.00 C ATOM 0 H VAL A 26 0.959 -0.229 11.919 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.271 -0.661 10.217 1.00 0.00 H new ATOM 0 HB VAL A 26 1.694 -1.282 9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.238 -1.463 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.380 -2.713 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.504 -1.295 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.707 0.744 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.016 1.002 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.192 1.099 10.173 1.00 0.00 H new ATOM 362 N HIS A 27 -1.843 -3.049 10.588 1.00 0.00 N ATOM 363 CA HIS A 27 -2.200 -4.458 10.703 1.00 0.00 C ATOM 364 C HIS A 27 -3.012 -4.914 9.494 1.00 0.00 C ATOM 365 O HIS A 27 -4.234 -5.049 9.569 1.00 0.00 O ATOM 366 CB HIS A 27 -2.994 -4.702 11.986 1.00 0.00 C ATOM 367 CG HIS A 27 -3.238 -6.152 12.274 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.243 -6.676 13.549 1.00 0.00 N ATOM 369 CD2 HIS A 27 -3.488 -7.190 11.442 1.00 0.00 C ATOM 370 CE1 HIS A 27 -3.483 -7.973 13.489 1.00 0.00 C ATOM 371 NE2 HIS A 27 -3.637 -8.311 12.221 1.00 0.00 N ATOM 0 H HIS A 27 -2.633 -2.427 10.418 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.278 -5.038 10.739 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.458 -4.259 12.825 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.953 -4.188 11.913 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.557 -7.145 10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.543 -8.644 14.333 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.834 -9.251 11.877 1.00 0.00 H new ATOM 380 N VAL A 28 -2.326 -5.146 8.380 1.00 0.00 N ATOM 381 CA VAL A 28 -2.983 -5.586 7.155 1.00 0.00 C ATOM 382 C VAL A 28 -3.456 -7.031 7.273 1.00 0.00 C ATOM 383 O VAL A 28 -2.806 -7.950 6.778 1.00 0.00 O ATOM 384 CB VAL A 28 -2.046 -5.462 5.939 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.728 -5.983 4.684 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.600 -4.020 5.755 1.00 0.00 C ATOM 0 H VAL A 28 -1.315 -5.037 8.300 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.845 -4.935 7.008 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.160 -6.071 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.051 -5.887 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.991 -7.032 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.632 -5.404 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.939 -3.951 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.473 -3.387 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.069 -3.687 6.646 1.00 0.00 H new ATOM 396 N SER A 29 -4.594 -7.223 7.933 1.00 0.00 N ATOM 397 CA SER A 29 -5.153 -8.557 8.120 1.00 0.00 C ATOM 398 C SER A 29 -5.971 -8.978 6.903 1.00 0.00 C ATOM 399 O SER A 29 -6.273 -10.158 6.722 1.00 0.00 O ATOM 400 CB SER A 29 -6.029 -8.594 9.374 1.00 0.00 C ATOM 401 OG SER A 29 -6.380 -9.925 9.712 1.00 0.00 O ATOM 0 H SER A 29 -5.147 -6.472 8.347 1.00 0.00 H new ATOM 0 HA SER A 29 -4.326 -9.257 8.241 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.498 -8.132 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.933 -8.007 9.208 1.00 0.00 H new ATOM 0 HG SER A 29 -6.563 -10.433 8.894 1.00 0.00 H new ATOM 407 N ASP A 30 -6.326 -8.005 6.071 1.00 0.00 N ATOM 408 CA ASP A 30 -7.108 -8.274 4.869 1.00 0.00 C ATOM 409 C ASP A 30 -7.218 -7.023 4.002 1.00 0.00 C ATOM 410 O ASP A 30 -7.189 -5.900 4.506 1.00 0.00 O ATOM 411 CB ASP A 30 -8.503 -8.773 5.245 1.00 0.00 C ATOM 412 CG ASP A 30 -8.983 -8.214 6.570 1.00 0.00 C ATOM 413 OD1 ASP A 30 -9.416 -7.043 6.598 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.925 -8.948 7.578 1.00 0.00 O ATOM 0 H ASP A 30 -6.085 -7.023 6.206 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.596 -9.047 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.208 -8.496 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.494 -9.862 5.296 1.00 0.00 H new ATOM 419 N LEU A 31 -7.343 -7.225 2.695 1.00 0.00 N ATOM 420 CA LEU A 31 -7.457 -6.114 1.756 1.00 0.00 C ATOM 421 C LEU A 31 -8.898 -5.624 1.665 1.00 0.00 C ATOM 422 O LEU A 31 -9.356 -5.207 0.601 1.00 0.00 O ATOM 423 CB LEU A 31 -6.961 -6.538 0.373 1.00 0.00 C ATOM 424 CG LEU A 31 -5.445 -6.538 0.174 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.774 -7.453 1.187 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.092 -6.961 -1.245 1.00 0.00 C ATOM 0 H LEU A 31 -7.368 -8.148 2.261 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.838 -5.295 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.334 -7.541 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.405 -5.874 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.078 -5.524 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.695 -7.440 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.998 -7.106 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.147 -8.470 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.009 -6.955 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.473 -7.965 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.541 -6.266 -1.954 1.00 0.00 H new ATOM 438 N SER A 32 -9.608 -5.676 2.787 1.00 0.00 N ATOM 439 CA SER A 32 -10.998 -5.238 2.833 1.00 0.00 C ATOM 440 C SER A 32 -11.155 -4.023 3.743 1.00 0.00 C ATOM 441 O SER A 32 -11.368 -2.905 3.273 1.00 0.00 O ATOM 442 CB SER A 32 -11.897 -6.375 3.322 1.00 0.00 C ATOM 443 OG SER A 32 -13.266 -6.046 3.168 1.00 0.00 O ATOM 0 H SER A 32 -9.244 -6.017 3.677 1.00 0.00 H new ATOM 0 HA SER A 32 -11.298 -4.956 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.674 -7.285 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.686 -6.584 4.371 1.00 0.00 H new ATOM 0 HG SER A 32 -13.819 -6.790 3.486 1.00 0.00 H new ATOM 449 N SER A 33 -11.049 -4.251 5.048 1.00 0.00 N ATOM 450 CA SER A 33 -11.184 -3.178 6.025 1.00 0.00 C ATOM 451 C SER A 33 -9.930 -3.068 6.888 1.00 0.00 C ATOM 452 O SER A 33 -10.013 -2.945 8.111 1.00 0.00 O ATOM 453 CB SER A 33 -12.408 -3.415 6.912 1.00 0.00 C ATOM 454 OG SER A 33 -13.577 -3.589 6.131 1.00 0.00 O ATOM 0 H SER A 33 -10.870 -5.170 5.453 1.00 0.00 H new ATOM 0 HA SER A 33 -11.315 -2.242 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.246 -4.297 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.541 -2.570 7.588 1.00 0.00 H new ATOM 0 HG SER A 33 -14.345 -3.741 6.721 1.00 0.00 H new ATOM 460 N SER A 34 -8.769 -3.115 6.243 1.00 0.00 N ATOM 461 CA SER A 34 -7.497 -3.026 6.950 1.00 0.00 C ATOM 462 C SER A 34 -6.644 -1.892 6.391 1.00 0.00 C ATOM 463 O SER A 34 -5.773 -1.358 7.078 1.00 0.00 O ATOM 464 CB SER A 34 -6.738 -4.349 6.848 1.00 0.00 C ATOM 465 OG SER A 34 -7.608 -5.452 7.044 1.00 0.00 O ATOM 0 H SER A 34 -8.683 -3.214 5.231 1.00 0.00 H new ATOM 0 HA SER A 34 -7.707 -2.817 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.263 -4.425 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.941 -4.373 7.592 1.00 0.00 H new ATOM 0 HG SER A 34 -7.819 -5.860 6.178 1.00 0.00 H new ATOM 471 N TRP A 35 -6.899 -1.531 5.139 1.00 0.00 N ATOM 472 CA TRP A 35 -6.153 -0.460 4.485 1.00 0.00 C ATOM 473 C TRP A 35 -6.903 0.863 4.583 1.00 0.00 C ATOM 474 O TRP A 35 -6.370 1.916 4.235 1.00 0.00 O ATOM 475 CB TRP A 35 -5.900 -0.810 3.018 1.00 0.00 C ATOM 476 CG TRP A 35 -5.098 -2.064 2.836 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.479 -3.334 3.162 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.780 -2.166 2.289 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.476 -4.221 2.849 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.423 -3.529 2.312 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.865 -1.240 1.780 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.193 -3.985 1.846 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.644 -1.693 1.318 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.317 -3.055 1.353 1.00 0.00 C ATOM 0 H TRP A 35 -7.616 -1.963 4.556 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.196 -0.352 4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.857 -0.922 2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.379 0.019 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.428 -3.602 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.511 -5.230 2.993 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.108 -0.188 1.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.939 -5.034 1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.930 -0.985 0.923 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.355 -3.378 0.984 1.00 0.00 H new ATOM 495 N ALA A 36 -8.143 0.802 5.057 1.00 0.00 N ATOM 496 CA ALA A 36 -8.966 1.998 5.201 1.00 0.00 C ATOM 497 C ALA A 36 -8.265 3.046 6.061 1.00 0.00 C ATOM 498 O ALA A 36 -8.167 4.211 5.677 1.00 0.00 O ATOM 499 CB ALA A 36 -10.317 1.639 5.801 1.00 0.00 C ATOM 0 H ALA A 36 -8.600 -0.062 5.348 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.122 2.424 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.921 2.541 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.828 0.931 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.171 1.187 6.782 1.00 0.00 H new ATOM 505 N ASP A 37 -7.780 2.623 7.222 1.00 0.00 N ATOM 506 CA ASP A 37 -7.088 3.525 8.136 1.00 0.00 C ATOM 507 C ASP A 37 -6.212 4.509 7.366 1.00 0.00 C ATOM 508 O ASP A 37 -6.167 5.696 7.688 1.00 0.00 O ATOM 509 CB ASP A 37 -6.235 2.728 9.124 1.00 0.00 C ATOM 510 CG ASP A 37 -5.197 1.868 8.432 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.585 1.032 7.588 1.00 0.00 O ATOM 512 OD2 ASP A 37 -3.996 2.030 8.732 1.00 0.00 O ATOM 0 H ASP A 37 -7.853 1.661 7.553 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.838 4.089 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.736 3.416 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.883 2.094 9.729 1.00 0.00 H new ATOM 517 N GLY A 38 -5.517 4.007 6.351 1.00 0.00 N ATOM 518 CA GLY A 38 -4.651 4.856 5.553 1.00 0.00 C ATOM 519 C GLY A 38 -3.184 4.515 5.730 1.00 0.00 C ATOM 520 O GLY A 38 -2.434 4.442 4.755 1.00 0.00 O ATOM 0 H GLY A 38 -5.538 3.028 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.920 4.758 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.815 5.898 5.828 1.00 0.00 H new ATOM 524 N LEU A 39 -2.773 4.308 6.976 1.00 0.00 N ATOM 525 CA LEU A 39 -1.384 3.975 7.277 1.00 0.00 C ATOM 526 C LEU A 39 -0.907 2.805 6.423 1.00 0.00 C ATOM 527 O LEU A 39 0.219 2.806 5.925 1.00 0.00 O ATOM 528 CB LEU A 39 -1.232 3.635 8.760 1.00 0.00 C ATOM 529 CG LEU A 39 -0.926 4.809 9.691 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.052 4.385 11.145 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.464 5.362 9.413 1.00 0.00 C ATOM 0 H LEU A 39 -3.380 4.365 7.794 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.768 4.844 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.152 3.159 9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.435 2.898 8.863 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.654 5.598 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.831 5.234 11.792 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.068 4.038 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.348 3.578 11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.665 6.197 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.206 4.580 9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.519 5.706 8.380 1.00 0.00 H new ATOM 543 N ALA A 40 -1.771 1.809 6.257 1.00 0.00 N ATOM 544 CA ALA A 40 -1.440 0.635 5.460 1.00 0.00 C ATOM 545 C ALA A 40 -0.652 1.022 4.214 1.00 0.00 C ATOM 546 O ALA A 40 0.499 0.617 4.043 1.00 0.00 O ATOM 547 CB ALA A 40 -2.705 -0.117 5.075 1.00 0.00 C ATOM 0 H ALA A 40 -2.706 1.792 6.664 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.813 -0.019 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.442 -0.991 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.227 -0.436 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.354 0.537 4.492 1.00 0.00 H new ATOM 553 N LEU A 41 -1.278 1.807 3.344 1.00 0.00 N ATOM 554 CA LEU A 41 -0.634 2.249 2.111 1.00 0.00 C ATOM 555 C LEU A 41 0.689 2.947 2.408 1.00 0.00 C ATOM 556 O LEU A 41 1.653 2.817 1.652 1.00 0.00 O ATOM 557 CB LEU A 41 -1.560 3.192 1.339 1.00 0.00 C ATOM 558 CG LEU A 41 -2.503 2.532 0.334 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.624 3.485 -0.051 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.737 2.081 -0.900 1.00 0.00 C ATOM 0 H LEU A 41 -2.230 2.151 3.469 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.430 1.369 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.160 3.749 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.945 3.918 0.807 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.946 1.653 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.286 2.998 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.191 3.758 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.200 4.383 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.425 1.613 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.266 2.944 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.971 1.362 -0.610 1.00 0.00 H new ATOM 572 N CYS A 42 0.729 3.684 3.512 1.00 0.00 N ATOM 573 CA CYS A 42 1.935 4.401 3.909 1.00 0.00 C ATOM 574 C CYS A 42 3.071 3.429 4.214 1.00 0.00 C ATOM 575 O CYS A 42 4.119 3.462 3.572 1.00 0.00 O ATOM 576 CB CYS A 42 1.654 5.277 5.131 1.00 0.00 C ATOM 577 SG CYS A 42 0.118 6.223 5.023 1.00 0.00 S ATOM 0 H CYS A 42 -0.060 3.801 4.148 1.00 0.00 H new ATOM 0 HA CYS A 42 2.240 5.037 3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.617 4.644 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.485 5.969 5.268 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.889 5.406 4.933 1.00 0.00 H new ATOM 583 N ALA A 43 2.852 2.566 5.201 1.00 0.00 N ATOM 584 CA ALA A 43 3.856 1.584 5.592 1.00 0.00 C ATOM 585 C ALA A 43 4.449 0.889 4.372 1.00 0.00 C ATOM 586 O ALA A 43 5.619 0.504 4.370 1.00 0.00 O ATOM 587 CB ALA A 43 3.253 0.561 6.543 1.00 0.00 C ATOM 0 H ALA A 43 1.989 2.527 5.744 1.00 0.00 H new ATOM 0 HA ALA A 43 4.661 2.110 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.014 -0.166 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.884 1.067 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.427 0.048 6.050 1.00 0.00 H new ATOM 593 N LEU A 44 3.635 0.729 3.334 1.00 0.00 N ATOM 594 CA LEU A 44 4.079 0.079 2.105 1.00 0.00 C ATOM 595 C LEU A 44 4.933 1.024 1.267 1.00 0.00 C ATOM 596 O LEU A 44 5.971 0.632 0.734 1.00 0.00 O ATOM 597 CB LEU A 44 2.873 -0.395 1.293 1.00 0.00 C ATOM 598 CG LEU A 44 3.159 -0.809 -0.152 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.817 -2.179 -0.194 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.877 -0.806 -0.972 1.00 0.00 C ATOM 0 H LEU A 44 2.664 1.040 3.319 1.00 0.00 H new ATOM 0 HA LEU A 44 4.687 -0.783 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.422 -1.242 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.131 0.404 1.281 1.00 0.00 H new ATOM 0 HG LEU A 44 3.847 -0.084 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.013 -2.457 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.757 -2.148 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.154 -2.915 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.100 -1.103 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.165 -1.508 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.446 0.195 -0.970 1.00 0.00 H new ATOM 612 N VAL A 45 4.490 2.272 1.155 1.00 0.00 N ATOM 613 CA VAL A 45 5.215 3.276 0.384 1.00 0.00 C ATOM 614 C VAL A 45 6.544 3.621 1.045 1.00 0.00 C ATOM 615 O VAL A 45 7.606 3.481 0.438 1.00 0.00 O ATOM 616 CB VAL A 45 4.386 4.563 0.219 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.185 5.619 -0.529 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.078 4.266 -0.498 1.00 0.00 C ATOM 0 H VAL A 45 3.632 2.613 1.589 1.00 0.00 H new ATOM 0 HA VAL A 45 5.403 2.846 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 45 4.150 4.953 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.584 6.522 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.092 5.852 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.453 5.242 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.505 5.187 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.289 3.853 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.501 3.545 0.081 1.00 0.00 H new ATOM 628 N TYR A 46 6.479 4.073 2.292 1.00 0.00 N ATOM 629 CA TYR A 46 7.678 4.440 3.036 1.00 0.00 C ATOM 630 C TYR A 46 8.723 3.330 2.968 1.00 0.00 C ATOM 631 O TYR A 46 9.851 3.551 2.530 1.00 0.00 O ATOM 632 CB TYR A 46 7.328 4.737 4.495 1.00 0.00 C ATOM 633 CG TYR A 46 6.645 6.071 4.694 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.278 7.258 4.343 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.367 6.146 5.234 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.658 8.479 4.524 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.738 7.362 5.417 1.00 0.00 C ATOM 638 CZ TYR A 46 5.389 8.526 5.060 1.00 0.00 C ATOM 639 OH TYR A 46 4.766 9.739 5.242 1.00 0.00 O ATOM 0 H TYR A 46 5.608 4.194 2.809 1.00 0.00 H new ATOM 0 HA TYR A 46 8.097 5.337 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.680 3.946 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.240 4.713 5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.272 7.225 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.856 5.237 5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.165 9.392 4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.744 7.402 5.837 1.00 0.00 H new ATOM 0 HH TYR A 46 4.328 10.010 4.408 1.00 0.00 H new ATOM 649 N ARG A 47 8.338 2.136 3.405 1.00 0.00 N ATOM 650 CA ARG A 47 9.240 0.991 3.395 1.00 0.00 C ATOM 651 C ARG A 47 9.871 0.808 2.017 1.00 0.00 C ATOM 652 O ARG A 47 11.094 0.823 1.875 1.00 0.00 O ATOM 653 CB ARG A 47 8.490 -0.280 3.797 1.00 0.00 C ATOM 654 CG ARG A 47 9.387 -1.500 3.935 1.00 0.00 C ATOM 655 CD ARG A 47 10.135 -1.492 5.259 1.00 0.00 C ATOM 656 NE ARG A 47 9.248 -1.749 6.390 1.00 0.00 N ATOM 657 CZ ARG A 47 9.555 -1.448 7.647 1.00 0.00 C ATOM 658 NH1 ARG A 47 10.720 -0.883 7.932 1.00 0.00 N ATOM 659 NH2 ARG A 47 8.695 -1.712 8.623 1.00 0.00 N ATOM 0 H ARG A 47 7.407 1.936 3.771 1.00 0.00 H new ATOM 0 HA ARG A 47 10.034 1.180 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.980 -0.106 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.720 -0.488 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.785 -2.406 3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.101 -1.523 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.921 -2.247 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.624 -0.527 5.393 1.00 0.00 H new ATOM 0 HE ARG A 47 8.344 -2.183 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.384 -0.678 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.953 -0.653 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.797 -2.146 8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.932 -1.481 9.588 1.00 0.00 H new ATOM 673 N LEU A 48 9.027 0.634 1.005 1.00 0.00 N ATOM 674 CA LEU A 48 9.502 0.447 -0.362 1.00 0.00 C ATOM 675 C LEU A 48 10.749 1.285 -0.625 1.00 0.00 C ATOM 676 O LEU A 48 11.665 0.849 -1.322 1.00 0.00 O ATOM 677 CB LEU A 48 8.403 0.821 -1.359 1.00 0.00 C ATOM 678 CG LEU A 48 7.338 -0.246 -1.616 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.100 0.375 -2.243 1.00 0.00 C ATOM 680 CD2 LEU A 48 7.893 -1.349 -2.506 1.00 0.00 C ATOM 0 H LEU A 48 8.012 0.619 1.105 1.00 0.00 H new ATOM 0 HA LEU A 48 9.760 -0.604 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.906 1.722 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.873 1.073 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 48 7.054 -0.686 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.353 -0.400 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.690 1.128 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.368 0.842 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.122 -2.100 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.206 -0.924 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.749 -1.814 -2.018 1.00 0.00 H new ATOM 692 N GLN A 49 10.777 2.488 -0.061 1.00 0.00 N ATOM 693 CA GLN A 49 11.914 3.386 -0.233 1.00 0.00 C ATOM 694 C GLN A 49 12.153 4.209 1.027 1.00 0.00 C ATOM 695 O GLN A 49 11.362 5.081 1.389 1.00 0.00 O ATOM 696 CB GLN A 49 11.680 4.313 -1.427 1.00 0.00 C ATOM 697 CG GLN A 49 12.189 3.750 -2.744 1.00 0.00 C ATOM 698 CD GLN A 49 12.592 4.833 -3.726 1.00 0.00 C ATOM 699 OE1 GLN A 49 13.496 4.644 -4.539 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.920 5.977 -3.655 1.00 0.00 N ATOM 0 H GLN A 49 10.026 2.864 0.519 1.00 0.00 H new ATOM 0 HA GLN A 49 12.800 2.780 -0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.612 4.514 -1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.170 5.268 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.045 3.103 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.414 3.128 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.177 6.090 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.147 6.742 -4.291 1.00 0.00 H new ATOM 709 N PRO A 50 13.270 3.928 1.715 1.00 0.00 N ATOM 710 CA PRO A 50 13.640 4.632 2.947 1.00 0.00 C ATOM 711 C PRO A 50 14.046 6.079 2.687 1.00 0.00 C ATOM 712 O PRO A 50 13.913 6.937 3.558 1.00 0.00 O ATOM 713 CB PRO A 50 14.832 3.827 3.471 1.00 0.00 C ATOM 714 CG PRO A 50 15.415 3.183 2.262 1.00 0.00 C ATOM 715 CD PRO A 50 14.259 2.902 1.343 1.00 0.00 C ATOM 0 HA PRO A 50 12.808 4.692 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.559 4.472 3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.516 3.083 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 50 16.143 3.838 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.938 2.263 2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.549 2.985 0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.867 1.895 1.487 1.00 0.00 H new ATOM 723 N GLY A 51 14.543 6.342 1.482 1.00 0.00 N ATOM 724 CA GLY A 51 14.961 7.687 1.130 1.00 0.00 C ATOM 725 C GLY A 51 13.884 8.718 1.402 1.00 0.00 C ATOM 726 O GLY A 51 14.155 9.774 1.976 1.00 0.00 O ATOM 0 H GLY A 51 14.664 5.648 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.857 7.945 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.229 7.716 0.074 1.00 0.00 H new ATOM 730 N LEU A 52 12.658 8.415 0.986 1.00 0.00 N ATOM 731 CA LEU A 52 11.536 9.326 1.185 1.00 0.00 C ATOM 732 C LEU A 52 11.345 9.639 2.666 1.00 0.00 C ATOM 733 O LEU A 52 11.685 8.830 3.532 1.00 0.00 O ATOM 734 CB LEU A 52 10.254 8.719 0.612 1.00 0.00 C ATOM 735 CG LEU A 52 10.105 8.780 -0.908 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.308 7.588 -1.415 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.441 10.084 -1.327 1.00 0.00 C ATOM 0 H LEU A 52 12.416 7.546 0.509 1.00 0.00 H new ATOM 0 HA LEU A 52 11.757 10.256 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.200 7.675 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.402 9.229 1.062 1.00 0.00 H new ATOM 0 HG LEU A 52 11.099 8.742 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.212 7.649 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.823 6.665 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.316 7.594 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.343 10.110 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.453 10.152 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.051 10.925 -0.997 1.00 0.00 H new ATOM 749 N LEU A 53 10.800 10.817 2.951 1.00 0.00 N ATOM 750 CA LEU A 53 10.562 11.236 4.328 1.00 0.00 C ATOM 751 C LEU A 53 9.835 10.148 5.111 1.00 0.00 C ATOM 752 O LEU A 53 9.541 9.078 4.578 1.00 0.00 O ATOM 753 CB LEU A 53 9.747 12.530 4.354 1.00 0.00 C ATOM 754 CG LEU A 53 8.291 12.415 3.900 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.162 11.406 2.770 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.397 12.025 5.070 1.00 0.00 C ATOM 0 H LEU A 53 10.515 11.498 2.247 1.00 0.00 H new ATOM 0 HA LEU A 53 11.528 11.413 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.760 12.924 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.247 13.264 3.722 1.00 0.00 H new ATOM 0 HG LEU A 53 7.968 13.388 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.119 11.338 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.771 11.726 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.503 10.429 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.365 11.948 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.720 11.064 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.466 12.784 5.849 1.00 0.00 H new ATOM 768 N GLU A 54 9.547 10.430 6.378 1.00 0.00 N ATOM 769 CA GLU A 54 8.853 9.474 7.233 1.00 0.00 C ATOM 770 C GLU A 54 7.469 9.992 7.617 1.00 0.00 C ATOM 771 O GLU A 54 7.175 11.183 7.516 1.00 0.00 O ATOM 772 CB GLU A 54 9.672 9.196 8.495 1.00 0.00 C ATOM 773 CG GLU A 54 10.634 8.027 8.351 1.00 0.00 C ATOM 774 CD GLU A 54 11.505 7.835 9.577 1.00 0.00 C ATOM 775 OE1 GLU A 54 10.959 7.469 10.640 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.730 8.048 9.474 1.00 0.00 O ATOM 0 H GLU A 54 9.783 11.311 6.834 1.00 0.00 H new ATOM 0 HA GLU A 54 8.733 8.546 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.237 10.091 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.992 8.996 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.067 7.115 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.269 8.189 7.480 1.00 0.00 H new ATOM 783 N PRO A 55 6.599 9.075 8.066 1.00 0.00 N ATOM 784 CA PRO A 55 5.233 9.416 8.473 1.00 0.00 C ATOM 785 C PRO A 55 5.197 10.226 9.765 1.00 0.00 C ATOM 786 O PRO A 55 4.125 10.519 10.295 1.00 0.00 O ATOM 787 CB PRO A 55 4.574 8.049 8.682 1.00 0.00 C ATOM 788 CG PRO A 55 5.703 7.129 8.995 1.00 0.00 C ATOM 789 CD PRO A 55 6.882 7.639 8.212 1.00 0.00 C ATOM 0 HA PRO A 55 4.731 10.039 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.850 8.079 9.496 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.037 7.728 7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.917 7.124 10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.461 6.104 8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.820 7.466 8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.965 7.145 7.244 1.00 0.00 H new ATOM 797 N SER A 56 6.374 10.585 10.265 1.00 0.00 N ATOM 798 CA SER A 56 6.478 11.360 11.496 1.00 0.00 C ATOM 799 C SER A 56 5.292 12.310 11.641 1.00 0.00 C ATOM 800 O SER A 56 4.806 12.547 12.747 1.00 0.00 O ATOM 801 CB SER A 56 7.786 12.152 11.517 1.00 0.00 C ATOM 802 OG SER A 56 7.788 13.159 10.519 1.00 0.00 O ATOM 0 H SER A 56 7.270 10.352 9.837 1.00 0.00 H new ATOM 0 HA SER A 56 6.470 10.665 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.924 12.607 12.498 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.627 11.476 11.358 1.00 0.00 H new ATOM 0 HG SER A 56 8.634 13.652 10.554 1.00 0.00 H new ATOM 808 N GLU A 57 4.834 12.850 10.517 1.00 0.00 N ATOM 809 CA GLU A 57 3.706 13.774 10.519 1.00 0.00 C ATOM 810 C GLU A 57 2.382 13.019 10.455 1.00 0.00 C ATOM 811 O GLU A 57 1.437 13.336 11.179 1.00 0.00 O ATOM 812 CB GLU A 57 3.809 14.743 9.339 1.00 0.00 C ATOM 813 CG GLU A 57 4.936 15.754 9.479 1.00 0.00 C ATOM 814 CD GLU A 57 4.859 16.859 8.444 1.00 0.00 C ATOM 815 OE1 GLU A 57 4.014 17.765 8.605 1.00 0.00 O ATOM 816 OE2 GLU A 57 5.643 16.819 7.473 1.00 0.00 O ATOM 0 H GLU A 57 5.226 12.664 9.594 1.00 0.00 H new ATOM 0 HA GLU A 57 3.737 14.340 11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.956 14.172 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.864 15.277 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.904 16.192 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.893 15.241 9.387 1.00 0.00 H new ATOM 823 N LEU A 58 2.321 12.017 9.585 1.00 0.00 N ATOM 824 CA LEU A 58 1.113 11.215 9.425 1.00 0.00 C ATOM 825 C LEU A 58 0.597 10.732 10.777 1.00 0.00 C ATOM 826 O LEU A 58 -0.610 10.688 11.010 1.00 0.00 O ATOM 827 CB LEU A 58 1.390 10.016 8.516 1.00 0.00 C ATOM 828 CG LEU A 58 1.161 10.242 7.020 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.065 11.351 6.504 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.398 8.954 6.245 1.00 0.00 C ATOM 0 H LEU A 58 3.094 11.740 8.980 1.00 0.00 H new ATOM 0 HA LEU A 58 0.348 11.842 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.425 9.706 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.760 9.187 8.839 1.00 0.00 H new ATOM 0 HG LEU A 58 0.125 10.547 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.889 11.498 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.848 12.276 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.107 11.075 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.231 9.132 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.424 8.620 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.709 8.186 6.597 1.00 0.00 H new ATOM 842 N GLN A 59 1.521 10.373 11.664 1.00 0.00 N ATOM 843 CA GLN A 59 1.158 9.896 12.993 1.00 0.00 C ATOM 844 C GLN A 59 -0.069 10.634 13.520 1.00 0.00 C ATOM 845 O GLN A 59 -1.039 10.015 13.953 1.00 0.00 O ATOM 846 CB GLN A 59 2.330 10.074 13.959 1.00 0.00 C ATOM 847 CG GLN A 59 2.644 11.528 14.273 1.00 0.00 C ATOM 848 CD GLN A 59 3.923 11.691 15.068 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.577 10.709 15.423 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.290 12.935 15.354 1.00 0.00 N ATOM 0 H GLN A 59 2.525 10.404 11.486 1.00 0.00 H new ATOM 0 HA GLN A 59 0.917 8.836 12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.107 9.550 14.888 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.216 9.603 13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.727 12.087 13.341 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.815 11.962 14.833 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.719 13.720 15.041 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.143 13.105 15.887 1.00 0.00 H new ATOM 859 N GLY A 60 -0.017 11.962 13.481 1.00 0.00 N ATOM 860 CA GLY A 60 -1.130 12.762 13.958 1.00 0.00 C ATOM 861 C GLY A 60 -2.242 12.878 12.935 1.00 0.00 C ATOM 862 O GLY A 60 -3.421 12.772 13.274 1.00 0.00 O ATOM 0 H GLY A 60 0.776 12.498 13.128 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.526 12.319 14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.772 13.759 14.216 1.00 0.00 H new ATOM 866 N LEU A 61 -1.868 13.096 11.679 1.00 0.00 N ATOM 867 CA LEU A 61 -2.844 13.228 10.603 1.00 0.00 C ATOM 868 C LEU A 61 -4.002 12.255 10.796 1.00 0.00 C ATOM 869 O LEU A 61 -3.854 11.215 11.436 1.00 0.00 O ATOM 870 CB LEU A 61 -2.175 12.980 9.249 1.00 0.00 C ATOM 871 CG LEU A 61 -1.250 14.088 8.744 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.439 13.604 7.554 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.053 15.328 8.378 1.00 0.00 C ATOM 0 H LEU A 61 -0.897 13.185 11.381 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.239 14.244 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.600 12.056 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.955 12.818 8.505 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.559 14.352 9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.213 14.406 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.165 12.747 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.113 13.312 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.378 16.106 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.768 15.080 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.588 15.687 9.257 1.00 0.00 H new ATOM 885 N GLY A 62 -5.158 12.600 10.235 1.00 0.00 N ATOM 886 CA GLY A 62 -6.325 11.746 10.355 1.00 0.00 C ATOM 887 C GLY A 62 -6.219 10.495 9.505 1.00 0.00 C ATOM 888 O GLY A 62 -5.229 10.299 8.799 1.00 0.00 O ATOM 0 H GLY A 62 -5.306 13.456 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.457 11.462 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.213 12.306 10.062 1.00 0.00 H new ATOM 892 N ALA A 63 -7.239 9.647 9.573 1.00 0.00 N ATOM 893 CA ALA A 63 -7.256 8.409 8.804 1.00 0.00 C ATOM 894 C ALA A 63 -7.142 8.691 7.309 1.00 0.00 C ATOM 895 O ALA A 63 -6.467 7.962 6.580 1.00 0.00 O ATOM 896 CB ALA A 63 -8.523 7.621 9.099 1.00 0.00 C ATOM 0 H ALA A 63 -8.065 9.795 10.153 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.394 7.813 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.522 6.699 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.563 7.380 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.394 8.218 8.830 1.00 0.00 H new ATOM 902 N LEU A 64 -7.806 9.749 6.859 1.00 0.00 N ATOM 903 CA LEU A 64 -7.779 10.126 5.450 1.00 0.00 C ATOM 904 C LEU A 64 -6.497 10.880 5.112 1.00 0.00 C ATOM 905 O LEU A 64 -5.799 10.538 4.157 1.00 0.00 O ATOM 906 CB LEU A 64 -8.996 10.990 5.111 1.00 0.00 C ATOM 907 CG LEU A 64 -9.542 10.850 3.689 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.836 9.393 3.372 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.792 11.699 3.512 1.00 0.00 C ATOM 0 H LEU A 64 -8.370 10.361 7.449 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.810 9.214 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.795 10.748 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.733 12.035 5.277 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.783 11.206 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.224 9.313 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.919 8.810 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.576 9.010 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.167 11.587 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.556 11.373 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.550 12.746 3.697 1.00 0.00 H new ATOM 921 N GLU A 65 -6.191 11.903 5.903 1.00 0.00 N ATOM 922 CA GLU A 65 -4.991 12.702 5.688 1.00 0.00 C ATOM 923 C GLU A 65 -3.801 11.814 5.339 1.00 0.00 C ATOM 924 O GLU A 65 -2.909 12.217 4.593 1.00 0.00 O ATOM 925 CB GLU A 65 -4.674 13.534 6.932 1.00 0.00 C ATOM 926 CG GLU A 65 -5.533 14.780 7.068 1.00 0.00 C ATOM 927 CD GLU A 65 -5.341 15.748 5.916 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.187 16.153 5.666 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.347 16.101 5.265 1.00 0.00 O ATOM 0 H GLU A 65 -6.757 12.198 6.698 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.179 13.373 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.808 12.913 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.625 13.828 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.582 14.490 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.292 15.283 8.005 1.00 0.00 H new ATOM 936 N ALA A 66 -3.794 10.603 5.886 1.00 0.00 N ATOM 937 CA ALA A 66 -2.715 9.657 5.632 1.00 0.00 C ATOM 938 C ALA A 66 -2.759 9.145 4.197 1.00 0.00 C ATOM 939 O ALA A 66 -1.865 9.426 3.398 1.00 0.00 O ATOM 940 CB ALA A 66 -2.791 8.494 6.611 1.00 0.00 C ATOM 0 H ALA A 66 -4.523 10.254 6.508 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.768 10.178 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.979 7.795 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.702 8.870 7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.747 7.983 6.495 1.00 0.00 H new ATOM 946 N THR A 67 -3.805 8.390 3.874 1.00 0.00 N ATOM 947 CA THR A 67 -3.964 7.838 2.535 1.00 0.00 C ATOM 948 C THR A 67 -3.593 8.864 1.469 1.00 0.00 C ATOM 949 O THR A 67 -3.012 8.520 0.440 1.00 0.00 O ATOM 950 CB THR A 67 -5.409 7.362 2.291 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.793 6.426 3.305 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.542 6.717 0.920 1.00 0.00 C ATOM 0 H THR A 67 -4.554 8.147 4.522 1.00 0.00 H new ATOM 0 HA THR A 67 -3.291 6.984 2.464 1.00 0.00 H new ATOM 0 HB THR A 67 -6.067 8.230 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.316 5.702 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.571 6.389 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.277 7.441 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.874 5.858 0.856 1.00 0.00 H new ATOM 960 N ALA A 68 -3.932 10.123 1.723 1.00 0.00 N ATOM 961 CA ALA A 68 -3.631 11.198 0.786 1.00 0.00 C ATOM 962 C ALA A 68 -2.149 11.216 0.427 1.00 0.00 C ATOM 963 O ALA A 68 -1.787 11.297 -0.746 1.00 0.00 O ATOM 964 CB ALA A 68 -4.051 12.539 1.370 1.00 0.00 C ATOM 0 H ALA A 68 -4.415 10.424 2.569 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.196 11.018 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.821 13.333 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.123 12.530 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.511 12.716 2.300 1.00 0.00 H new ATOM 970 N TRP A 69 -1.299 11.141 1.445 1.00 0.00 N ATOM 971 CA TRP A 69 0.145 11.150 1.235 1.00 0.00 C ATOM 972 C TRP A 69 0.577 9.968 0.373 1.00 0.00 C ATOM 973 O TRP A 69 1.163 10.148 -0.693 1.00 0.00 O ATOM 974 CB TRP A 69 0.875 11.110 2.579 1.00 0.00 C ATOM 975 CG TRP A 69 2.362 10.977 2.442 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.269 11.992 2.330 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.113 9.758 2.401 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.538 11.477 2.222 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.470 10.110 2.264 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.771 8.405 2.467 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.482 9.156 2.192 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.776 7.459 2.396 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.118 7.838 2.260 1.00 0.00 C ATOM 0 H TRP A 69 -1.584 11.073 2.422 1.00 0.00 H new ATOM 0 HA TRP A 69 0.406 12.071 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.648 12.020 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.495 10.274 3.166 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.025 13.044 2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.393 12.025 2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.739 8.104 2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.517 9.446 2.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.523 6.410 2.446 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.881 7.075 2.208 1.00 0.00 H new ATOM 994 N ALA A 70 0.282 8.760 0.842 1.00 0.00 N ATOM 995 CA ALA A 70 0.638 7.550 0.112 1.00 0.00 C ATOM 996 C ALA A 70 0.371 7.710 -1.381 1.00 0.00 C ATOM 997 O ALA A 70 1.263 7.511 -2.207 1.00 0.00 O ATOM 998 CB ALA A 70 -0.131 6.357 0.662 1.00 0.00 C ATOM 0 H ALA A 70 -0.203 8.594 1.724 1.00 0.00 H new ATOM 0 HA ALA A 70 1.705 7.375 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.144 5.460 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.113 6.222 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.201 6.534 0.557 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.861 8.072 -1.722 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.245 8.259 -3.117 1.00 0.00 C ATOM 1006 C LEU A 71 -0.378 9.322 -3.782 1.00 0.00 C ATOM 1007 O LEU A 71 -0.172 9.302 -4.996 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.719 8.655 -3.211 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.732 7.538 -2.960 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.012 8.101 -2.361 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -4.031 6.789 -4.251 1.00 0.00 C ATOM 0 H LEU A 71 -1.611 8.242 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.094 7.315 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.906 9.455 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.901 9.067 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.299 6.836 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.721 7.291 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.786 8.591 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.448 8.825 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.754 5.998 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.442 7.481 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.111 6.352 -4.639 1.00 0.00 H new ATOM 1023 N LYS A 72 0.131 10.251 -2.980 1.00 0.00 N ATOM 1024 CA LYS A 72 0.981 11.322 -3.489 1.00 0.00 C ATOM 1025 C LYS A 72 2.404 10.825 -3.717 1.00 0.00 C ATOM 1026 O LYS A 72 2.855 10.702 -4.856 1.00 0.00 O ATOM 1027 CB LYS A 72 0.990 12.501 -2.513 1.00 0.00 C ATOM 1028 CG LYS A 72 1.436 13.809 -3.145 1.00 0.00 C ATOM 1029 CD LYS A 72 1.350 14.962 -2.159 1.00 0.00 C ATOM 1030 CE LYS A 72 1.559 16.301 -2.849 1.00 0.00 C ATOM 1031 NZ LYS A 72 2.957 16.464 -3.332 1.00 0.00 N ATOM 0 H LYS A 72 -0.030 10.284 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 72 0.574 11.653 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.011 12.629 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.651 12.266 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.461 13.711 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.814 14.025 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.376 14.952 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.100 14.832 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.872 16.387 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.318 17.108 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.058 17.389 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.612 16.408 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.180 15.709 -4.012 1.00 0.00 H new ATOM 1045 N VAL A 73 3.108 10.539 -2.626 1.00 0.00 N ATOM 1046 CA VAL A 73 4.480 10.054 -2.707 1.00 0.00 C ATOM 1047 C VAL A 73 4.594 8.889 -3.684 1.00 0.00 C ATOM 1048 O VAL A 73 5.658 8.644 -4.253 1.00 0.00 O ATOM 1049 CB VAL A 73 5.000 9.604 -1.328 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.290 8.813 -1.474 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.202 10.807 -0.418 1.00 0.00 C ATOM 0 H VAL A 73 2.750 10.635 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 73 5.088 10.885 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 73 4.254 8.953 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.641 8.504 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.108 7.931 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.047 9.436 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.569 10.472 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.928 11.485 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.253 11.327 -0.287 1.00 0.00 H new ATOM 1061 N ALA A 74 3.491 8.174 -3.874 1.00 0.00 N ATOM 1062 CA ALA A 74 3.466 7.035 -4.784 1.00 0.00 C ATOM 1063 C ALA A 74 3.285 7.491 -6.229 1.00 0.00 C ATOM 1064 O ALA A 74 3.942 6.983 -7.136 1.00 0.00 O ATOM 1065 CB ALA A 74 2.357 6.069 -4.392 1.00 0.00 C ATOM 0 H ALA A 74 2.602 8.363 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 74 4.424 6.521 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.351 5.224 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.529 5.710 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.396 6.581 -4.437 1.00 0.00 H new ATOM 1071 N GLU A 75 2.391 8.453 -6.433 1.00 0.00 N ATOM 1072 CA GLU A 75 2.124 8.975 -7.769 1.00 0.00 C ATOM 1073 C GLU A 75 3.207 9.962 -8.193 1.00 0.00 C ATOM 1074 O GLU A 75 3.344 10.280 -9.373 1.00 0.00 O ATOM 1075 CB GLU A 75 0.754 9.655 -7.810 1.00 0.00 C ATOM 1076 CG GLU A 75 0.439 10.311 -9.144 1.00 0.00 C ATOM 1077 CD GLU A 75 1.178 11.622 -9.339 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.422 12.320 -8.333 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.511 11.948 -10.497 1.00 0.00 O ATOM 0 H GLU A 75 1.840 8.886 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 75 2.127 8.137 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.016 8.916 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.709 10.409 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.701 9.627 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.634 10.489 -9.212 1.00 0.00 H new ATOM 1086 N ASN A 76 3.975 10.444 -7.220 1.00 0.00 N ATOM 1087 CA ASN A 76 5.045 11.396 -7.492 1.00 0.00 C ATOM 1088 C ASN A 76 6.370 10.675 -7.715 1.00 0.00 C ATOM 1089 O ASN A 76 6.984 10.798 -8.775 1.00 0.00 O ATOM 1090 CB ASN A 76 5.180 12.387 -6.334 1.00 0.00 C ATOM 1091 CG ASN A 76 4.304 13.612 -6.517 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.620 14.503 -7.306 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.197 13.662 -5.784 1.00 0.00 N ATOM 0 H ASN A 76 3.876 10.191 -6.237 1.00 0.00 H new ATOM 0 HA ASN A 76 4.791 11.941 -8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.915 11.890 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.221 12.698 -6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.569 14.462 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.975 12.900 -5.143 1.00 0.00 H new ATOM 1100 N GLU A 77 6.805 9.921 -6.709 1.00 0.00 N ATOM 1101 CA GLU A 77 8.057 9.180 -6.797 1.00 0.00 C ATOM 1102 C GLU A 77 7.858 7.857 -7.530 1.00 0.00 C ATOM 1103 O GLU A 77 8.343 7.673 -8.646 1.00 0.00 O ATOM 1104 CB GLU A 77 8.622 8.921 -5.398 1.00 0.00 C ATOM 1105 CG GLU A 77 9.545 10.020 -4.901 1.00 0.00 C ATOM 1106 CD GLU A 77 10.623 9.499 -3.970 1.00 0.00 C ATOM 1107 OE1 GLU A 77 10.806 8.265 -3.907 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.283 10.325 -3.306 1.00 0.00 O ATOM 0 H GLU A 77 6.309 9.808 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 77 8.767 9.784 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.795 8.808 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.166 7.977 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.013 10.510 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.957 10.777 -4.382 1.00 0.00 H new ATOM 1115 N LEU A 78 7.139 6.938 -6.893 1.00 0.00 N ATOM 1116 CA LEU A 78 6.873 5.630 -7.482 1.00 0.00 C ATOM 1117 C LEU A 78 6.162 5.772 -8.825 1.00 0.00 C ATOM 1118 O LEU A 78 6.208 4.872 -9.661 1.00 0.00 O ATOM 1119 CB LEU A 78 6.028 4.782 -6.531 1.00 0.00 C ATOM 1120 CG LEU A 78 6.464 4.780 -5.066 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.465 4.017 -4.212 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.857 4.183 -4.924 1.00 0.00 C ATOM 0 H LEU A 78 6.730 7.075 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 78 7.829 5.133 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.997 5.133 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.033 3.754 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 78 6.496 5.812 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.793 4.027 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.486 4.489 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.399 2.987 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.151 4.190 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.853 3.157 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.567 4.774 -5.503 1.00 0.00 H new ATOM 1134 N GLY A 79 5.505 6.912 -9.022 1.00 0.00 N ATOM 1135 CA GLY A 79 4.794 7.152 -10.265 1.00 0.00 C ATOM 1136 C GLY A 79 3.609 6.224 -10.443 1.00 0.00 C ATOM 1137 O GLY A 79 3.130 6.026 -11.560 1.00 0.00 O ATOM 0 H GLY A 79 5.453 7.672 -8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.449 8.186 -10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.480 7.025 -11.103 1.00 0.00 H new ATOM 1141 N ILE A 80 3.135 5.653 -9.341 1.00 0.00 N ATOM 1142 CA ILE A 80 1.999 4.741 -9.382 1.00 0.00 C ATOM 1143 C ILE A 80 0.679 5.507 -9.395 1.00 0.00 C ATOM 1144 O ILE A 80 0.064 5.725 -8.350 1.00 0.00 O ATOM 1145 CB ILE A 80 2.007 3.777 -8.181 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.288 2.940 -8.181 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.780 2.877 -8.215 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.386 1.984 -9.349 1.00 0.00 C ATOM 0 H ILE A 80 3.520 5.806 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 80 2.091 4.164 -10.302 1.00 0.00 H new ATOM 0 HB ILE A 80 1.977 4.363 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.149 3.608 -8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.341 2.372 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.800 2.202 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.121 3.489 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.781 2.295 -9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.319 1.424 -9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.545 1.291 -9.324 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.365 2.547 -10.282 1.00 0.00 H new ATOM 1160 N THR A 81 0.248 5.911 -10.585 1.00 0.00 N ATOM 1161 CA THR A 81 -0.999 6.652 -10.735 1.00 0.00 C ATOM 1162 C THR A 81 -2.062 6.138 -9.772 1.00 0.00 C ATOM 1163 O THR A 81 -2.270 4.934 -9.622 1.00 0.00 O ATOM 1164 CB THR A 81 -1.538 6.557 -12.175 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.541 7.000 -13.103 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.797 7.396 -12.337 1.00 0.00 C ATOM 0 H THR A 81 0.744 5.738 -11.460 1.00 0.00 H new ATOM 0 HA THR A 81 -0.778 7.694 -10.505 1.00 0.00 H new ATOM 0 HB THR A 81 -1.785 5.515 -12.379 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.892 6.935 -14.016 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.160 7.314 -13.362 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.564 7.037 -11.651 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.570 8.439 -12.115 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.755 7.072 -9.102 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.810 6.737 -8.141 1.00 0.00 C ATOM 1176 C PRO A 82 -5.049 6.164 -8.818 1.00 0.00 C ATOM 1177 O PRO A 82 -5.942 6.905 -9.233 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.132 8.082 -7.486 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.741 9.101 -8.500 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.560 8.526 -9.230 1.00 0.00 C ATOM 0 HA PRO A 82 -3.491 5.969 -7.436 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.190 8.158 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.576 8.213 -6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.563 9.304 -9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.483 10.047 -8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.542 8.839 -10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.618 8.846 -8.785 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.100 4.840 -8.928 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.232 4.168 -9.554 1.00 0.00 C ATOM 1190 C VAL A 83 -7.493 4.316 -8.711 1.00 0.00 C ATOM 1191 O VAL A 83 -8.610 4.202 -9.219 1.00 0.00 O ATOM 1192 CB VAL A 83 -5.946 2.669 -9.771 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.268 1.877 -8.513 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.734 2.143 -10.960 1.00 0.00 C ATOM 0 H VAL A 83 -4.370 4.212 -8.592 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.387 4.645 -10.522 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.885 2.546 -9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.060 0.821 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.654 2.238 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.321 2.003 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.520 1.083 -11.098 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.800 2.277 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.448 2.691 -11.858 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.311 4.571 -7.420 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.434 4.737 -6.506 1.00 0.00 C ATOM 1206 C VAL A 84 -8.292 6.015 -5.687 1.00 0.00 C ATOM 1207 O VAL A 84 -7.216 6.318 -5.172 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.559 3.538 -5.547 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.624 3.804 -4.494 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.872 2.267 -6.323 1.00 0.00 C ATOM 0 H VAL A 84 -6.395 4.667 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.334 4.799 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.605 3.402 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.698 2.946 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.354 4.689 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.585 3.968 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.957 1.430 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.812 2.391 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.071 2.069 -7.035 1.00 0.00 H new ATOM 1220 N SER A 85 -9.386 6.761 -5.571 1.00 0.00 N ATOM 1221 CA SER A 85 -9.383 8.009 -4.817 1.00 0.00 C ATOM 1222 C SER A 85 -9.092 7.751 -3.341 1.00 0.00 C ATOM 1223 O SER A 85 -9.465 6.714 -2.795 1.00 0.00 O ATOM 1224 CB SER A 85 -10.729 8.722 -4.965 1.00 0.00 C ATOM 1225 OG SER A 85 -10.573 10.127 -4.879 1.00 0.00 O ATOM 0 H SER A 85 -10.285 6.523 -5.989 1.00 0.00 H new ATOM 0 HA SER A 85 -8.596 8.646 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.179 8.461 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.413 8.380 -4.188 1.00 0.00 H new ATOM 0 HG SER A 85 -11.447 10.560 -4.978 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.422 8.705 -2.702 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.082 8.584 -1.290 1.00 0.00 C ATOM 1233 C ALA A 86 -9.320 8.288 -0.449 1.00 0.00 C ATOM 1234 O ALA A 86 -9.262 7.516 0.507 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.400 9.853 -0.800 1.00 0.00 C ATOM 0 H ALA A 86 -8.104 9.570 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.392 7.748 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.152 9.748 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.487 10.020 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.072 10.701 -0.932 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.438 8.909 -0.814 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.689 8.713 -0.092 1.00 0.00 C ATOM 1243 C GLN A 87 -12.188 7.279 -0.245 1.00 0.00 C ATOM 1244 O GLN A 87 -12.480 6.605 0.742 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.751 9.691 -0.595 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.159 9.355 -0.129 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.852 8.358 -1.037 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.156 7.237 -0.630 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -15.106 8.763 -2.275 1.00 0.00 N ATOM 0 H GLN A 87 -10.502 9.551 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.502 8.902 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.496 10.696 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.732 9.706 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.116 8.951 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.750 10.270 -0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.836 9.701 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.571 8.136 -2.931 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.282 6.821 -1.489 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.744 5.467 -1.771 1.00 0.00 C ATOM 1260 C ALA A 88 -11.992 4.445 -0.927 1.00 0.00 C ATOM 1261 O ALA A 88 -12.599 3.574 -0.302 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.583 5.153 -3.251 1.00 0.00 C ATOM 0 H ALA A 88 -12.045 7.367 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.801 5.408 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.932 4.139 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.170 5.859 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.532 5.236 -3.528 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.667 4.553 -0.912 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.833 3.638 -0.144 1.00 0.00 C ATOM 1270 C VAL A 89 -10.261 3.600 1.319 1.00 0.00 C ATOM 1271 O VAL A 89 -10.580 2.538 1.856 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.346 4.033 -0.221 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.501 3.104 0.637 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.868 4.023 -1.665 1.00 0.00 C ATOM 0 H VAL A 89 -10.148 5.266 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.962 2.649 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.235 5.045 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.454 3.399 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.830 3.167 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.613 2.079 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.816 4.304 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.991 3.024 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.454 4.734 -2.247 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.269 4.764 1.958 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.660 4.865 3.359 1.00 0.00 C ATOM 1286 C VAL A 90 -12.146 4.571 3.538 1.00 0.00 C ATOM 1287 O VAL A 90 -12.522 3.583 4.167 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.353 6.263 3.929 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.810 6.364 5.376 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.868 6.573 3.808 1.00 0.00 C ATOM 0 H VAL A 90 -10.009 5.652 1.528 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.077 4.122 3.904 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.905 7.002 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.584 7.359 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.884 6.189 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.289 5.617 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.669 7.564 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.295 5.831 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.575 6.547 2.758 1.00 0.00 H new ATOM 1300 N ALA A 91 -12.986 5.436 2.979 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.430 5.268 3.073 1.00 0.00 C ATOM 1302 C ALA A 91 -14.817 3.794 2.999 1.00 0.00 C ATOM 1303 O ALA A 91 -15.703 3.338 3.721 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.127 6.053 1.972 1.00 0.00 C ATOM 0 H ALA A 91 -12.691 6.260 2.456 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.753 5.655 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.205 5.918 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.885 7.111 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.790 5.693 1.000 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.146 3.054 2.122 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.435 1.640 1.970 1.00 0.00 C ATOM 1312 C GLY A 92 -15.606 1.384 1.041 1.00 0.00 C ATOM 1313 O GLY A 92 -16.443 0.523 1.310 1.00 0.00 O ATOM 0 H GLY A 92 -13.408 3.408 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.551 1.131 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.650 1.209 2.948 1.00 0.00 H new ATOM 1317 N SER A 93 -15.666 2.135 -0.054 1.00 0.00 N ATOM 1318 CA SER A 93 -16.745 1.989 -1.023 1.00 0.00 C ATOM 1319 C SER A 93 -16.317 1.094 -2.183 1.00 0.00 C ATOM 1320 O SER A 93 -17.066 0.218 -2.616 1.00 0.00 O ATOM 1321 CB SER A 93 -17.173 3.359 -1.552 1.00 0.00 C ATOM 1322 OG SER A 93 -18.423 3.282 -2.214 1.00 0.00 O ATOM 0 H SER A 93 -14.980 2.851 -0.292 1.00 0.00 H new ATOM 0 HA SER A 93 -17.591 1.521 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.238 4.067 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.417 3.740 -2.239 1.00 0.00 H new ATOM 0 HG SER A 93 -18.675 4.171 -2.541 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.107 1.322 -2.681 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.577 0.537 -3.790 1.00 0.00 C ATOM 1330 C ASP A 94 -13.492 -0.421 -3.308 1.00 0.00 C ATOM 1331 O ASP A 94 -12.301 -0.110 -3.329 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.016 1.459 -4.873 1.00 0.00 C ATOM 1333 CG ASP A 94 -14.968 2.586 -5.224 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.071 2.294 -5.730 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -14.608 3.760 -4.994 1.00 0.00 O ATOM 0 H ASP A 94 -14.475 2.044 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.394 -0.050 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.069 1.879 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.803 0.875 -5.768 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.911 -1.614 -2.862 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.991 -2.642 -2.366 1.00 0.00 C ATOM 1342 C PRO A 95 -12.141 -3.247 -3.479 1.00 0.00 C ATOM 1343 O PRO A 95 -11.013 -3.682 -3.246 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.926 -3.699 -1.772 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.211 -3.523 -2.505 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.316 -2.053 -2.808 1.00 0.00 C ATOM 0 HA PRO A 95 -12.275 -2.236 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.526 -4.704 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.058 -3.553 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.221 -4.112 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.054 -3.858 -1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.830 -1.873 -3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.873 -1.522 -2.036 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.690 -3.270 -4.689 1.00 0.00 N ATOM 1355 CA LEU A 96 -11.983 -3.821 -5.839 1.00 0.00 C ATOM 1356 C LEU A 96 -10.850 -2.897 -6.276 1.00 0.00 C ATOM 1357 O LEU A 96 -9.732 -3.345 -6.528 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.953 -4.042 -7.002 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.868 -5.261 -6.889 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.165 -4.892 -6.185 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.153 -5.843 -8.266 1.00 0.00 C ATOM 0 H LEU A 96 -13.622 -2.913 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.554 -4.779 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.576 -3.153 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.373 -4.132 -7.921 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.359 -6.019 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.804 -5.772 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.943 -4.523 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.679 -4.116 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.806 -6.710 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.641 -5.090 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.216 -6.146 -8.734 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.148 -1.604 -6.361 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.144 -0.636 -6.764 1.00 0.00 C ATOM 1375 C GLY A 97 -8.849 -0.789 -5.992 1.00 0.00 C ATOM 1376 O GLY A 97 -7.774 -0.903 -6.583 1.00 0.00 O ATOM 0 H GLY A 97 -12.066 -1.210 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.944 -0.747 -7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.535 0.371 -6.617 1.00 0.00 H new ATOM 1380 N LEU A 98 -8.948 -0.790 -4.667 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.774 -0.928 -3.812 1.00 0.00 C ATOM 1382 C LEU A 98 -6.953 -2.152 -4.208 1.00 0.00 C ATOM 1383 O LEU A 98 -5.783 -2.034 -4.571 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.197 -1.035 -2.346 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.087 -1.375 -1.350 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.067 -0.249 -1.282 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.672 -1.652 0.026 1.00 0.00 C ATOM 0 H LEU A 98 -9.829 -0.697 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.154 -0.041 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.647 -0.088 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.974 -1.796 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.579 -2.276 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.285 -0.509 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.624 -0.099 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.560 0.669 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.868 -1.892 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.206 -0.769 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.362 -2.493 -0.035 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.575 -3.323 -4.134 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.903 -4.568 -4.487 1.00 0.00 C ATOM 1401 C ILE A 99 -6.036 -4.390 -5.729 1.00 0.00 C ATOM 1402 O ILE A 99 -4.924 -4.914 -5.800 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.915 -5.702 -4.739 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.764 -5.944 -3.489 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.191 -6.975 -5.149 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.919 -6.892 -3.719 1.00 0.00 C ATOM 0 H ILE A 99 -8.543 -3.436 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.271 -4.838 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.577 -5.405 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.128 -6.344 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.153 -4.990 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.919 -7.767 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.626 -6.794 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.509 -7.278 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.477 -7.017 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.577 -6.484 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.537 -7.859 -4.046 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.551 -3.649 -6.703 1.00 0.00 N ATOM 1419 CA ALA A 100 -5.821 -3.399 -7.940 1.00 0.00 C ATOM 1420 C ALA A 100 -4.681 -2.412 -7.715 1.00 0.00 C ATOM 1421 O ALA A 100 -3.527 -2.698 -8.036 1.00 0.00 O ATOM 1422 CB ALA A 100 -6.766 -2.880 -9.015 1.00 0.00 C ATOM 0 H ALA A 100 -7.471 -3.211 -6.660 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.389 -4.342 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.208 -2.698 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.544 -3.620 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.224 -1.950 -8.678 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.010 -1.249 -7.163 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.013 -0.219 -6.899 1.00 0.00 C ATOM 1430 C TYR A 101 -2.729 -0.832 -6.346 1.00 0.00 C ATOM 1431 O TYR A 101 -1.627 -0.482 -6.771 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.565 0.811 -5.912 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.661 2.009 -5.720 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.106 2.666 -6.811 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.364 2.484 -4.449 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.280 3.761 -6.642 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.540 3.579 -4.270 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.001 4.213 -5.369 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.179 5.303 -5.195 1.00 0.00 O ATOM 0 H TYR A 101 -5.960 -0.996 -6.890 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.781 0.277 -7.841 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.539 1.153 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.725 0.329 -4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.324 2.315 -7.809 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.784 1.989 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.856 4.260 -7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.320 3.936 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.263 5.902 -5.966 1.00 0.00 H new ATOM 1449 N LEU A 102 -2.880 -1.749 -5.398 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.734 -2.414 -4.787 1.00 0.00 C ATOM 1451 C LEU A 102 -0.947 -3.208 -5.825 1.00 0.00 C ATOM 1452 O LEU A 102 0.280 -3.281 -5.765 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.196 -3.342 -3.663 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.040 -2.695 -2.563 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.547 -3.748 -1.591 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.233 -1.633 -1.828 1.00 0.00 C ATOM 0 H LEU A 102 -3.785 -2.050 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.081 -1.647 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.772 -4.156 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.315 -3.788 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.901 -2.214 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.145 -3.269 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.160 -4.473 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.700 -4.258 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.848 -1.183 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.354 -2.092 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.918 -0.863 -2.532 1.00 0.00 H new ATOM 1468 N SER A 103 -1.662 -3.799 -6.777 1.00 0.00 N ATOM 1469 CA SER A 103 -1.031 -4.588 -7.828 1.00 0.00 C ATOM 1470 C SER A 103 0.099 -3.806 -8.492 1.00 0.00 C ATOM 1471 O SER A 103 1.160 -4.357 -8.786 1.00 0.00 O ATOM 1472 CB SER A 103 -2.067 -4.999 -8.877 1.00 0.00 C ATOM 1473 OG SER A 103 -1.492 -5.853 -9.852 1.00 0.00 O ATOM 0 H SER A 103 -2.679 -3.746 -6.842 1.00 0.00 H new ATOM 0 HA SER A 103 -0.610 -5.484 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.901 -5.506 -8.391 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.472 -4.110 -9.361 1.00 0.00 H new ATOM 0 HG SER A 103 -2.173 -6.103 -10.510 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.138 -2.519 -8.724 1.00 0.00 N ATOM 1480 CA HIS A 104 0.859 -1.660 -9.351 1.00 0.00 C ATOM 1481 C HIS A 104 2.144 -1.626 -8.528 1.00 0.00 C ATOM 1482 O HIS A 104 3.245 -1.656 -9.077 1.00 0.00 O ATOM 1483 CB HIS A 104 0.310 -0.243 -9.518 1.00 0.00 C ATOM 1484 CG HIS A 104 -0.982 -0.186 -10.273 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.080 0.293 -11.563 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.235 -0.553 -9.914 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.336 0.219 -11.963 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.058 -0.291 -10.982 1.00 0.00 N ATOM 0 H HIS A 104 -1.011 -2.048 -8.487 1.00 0.00 H new ATOM 0 HA HIS A 104 1.089 -2.071 -10.334 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.165 0.200 -8.533 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.051 0.366 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.532 -0.973 -8.965 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.710 0.524 -12.929 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -4.063 -0.462 -11.012 1.00 0.00 H new ATOM 1497 N PHE A 105 1.994 -1.564 -7.209 1.00 0.00 N ATOM 1498 CA PHE A 105 3.142 -1.525 -6.311 1.00 0.00 C ATOM 1499 C PHE A 105 3.962 -2.807 -6.419 1.00 0.00 C ATOM 1500 O PHE A 105 5.176 -2.766 -6.619 1.00 0.00 O ATOM 1501 CB PHE A 105 2.679 -1.324 -4.866 1.00 0.00 C ATOM 1502 CG PHE A 105 2.273 0.089 -4.558 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.996 0.537 -4.854 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.170 0.969 -3.973 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.619 1.836 -4.571 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.798 2.269 -3.688 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.522 2.704 -3.989 1.00 0.00 C ATOM 0 H PHE A 105 1.089 -1.540 -6.739 1.00 0.00 H new ATOM 0 HA PHE A 105 3.772 -0.686 -6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.837 -1.987 -4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.483 -1.618 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.287 -0.137 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.170 0.635 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.380 2.172 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.505 2.945 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.231 3.721 -3.770 1.00 0.00 H new ATOM 1517 N HIS A 106 3.289 -3.946 -6.288 1.00 0.00 N ATOM 1518 CA HIS A 106 3.954 -5.242 -6.372 1.00 0.00 C ATOM 1519 C HIS A 106 4.440 -5.512 -7.792 1.00 0.00 C ATOM 1520 O HIS A 106 5.642 -5.628 -8.035 1.00 0.00 O ATOM 1521 CB HIS A 106 3.007 -6.355 -5.923 1.00 0.00 C ATOM 1522 CG HIS A 106 3.691 -7.668 -5.696 1.00 0.00 C ATOM 1523 ND1 HIS A 106 3.010 -8.862 -5.587 1.00 0.00 N ATOM 1524 CD2 HIS A 106 5.003 -7.971 -5.560 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.873 -9.843 -5.391 1.00 0.00 C ATOM 1526 NE2 HIS A 106 5.090 -9.328 -5.371 1.00 0.00 N ATOM 0 H HIS A 106 2.284 -3.998 -6.123 1.00 0.00 H new ATOM 0 HA HIS A 106 4.819 -5.223 -5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.511 -6.049 -5.002 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.230 -6.485 -6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.828 -7.275 -5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.626 -10.887 -5.268 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.954 -9.854 -5.237 1.00 0.00 H new ATOM 1535 N SER A 107 3.499 -5.612 -8.726 1.00 0.00 N ATOM 1536 CA SER A 107 3.831 -5.873 -10.121 1.00 0.00 C ATOM 1537 C SER A 107 5.144 -5.196 -10.502 1.00 0.00 C ATOM 1538 O SER A 107 5.920 -5.724 -11.298 1.00 0.00 O ATOM 1539 CB SER A 107 2.707 -5.383 -11.035 1.00 0.00 C ATOM 1540 OG SER A 107 1.653 -6.328 -11.098 1.00 0.00 O ATOM 0 H SER A 107 2.500 -5.516 -8.541 1.00 0.00 H new ATOM 0 HA SER A 107 3.948 -6.949 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.324 -4.431 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.100 -5.204 -12.036 1.00 0.00 H new ATOM 0 HG SER A 107 0.946 -5.991 -11.687 1.00 0.00 H new ATOM 1546 N ALA A 108 5.386 -4.022 -9.928 1.00 0.00 N ATOM 1547 CA ALA A 108 6.605 -3.273 -10.207 1.00 0.00 C ATOM 1548 C ALA A 108 7.709 -3.632 -9.217 1.00 0.00 C ATOM 1549 O ALA A 108 8.854 -3.860 -9.605 1.00 0.00 O ATOM 1550 CB ALA A 108 6.326 -1.777 -10.167 1.00 0.00 C ATOM 0 H ALA A 108 4.754 -3.569 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 108 6.946 -3.542 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.245 -1.230 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.575 -1.527 -10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.958 -1.502 -9.179 1.00 0.00 H new ATOM 1556 N PHE A 109 7.356 -3.683 -7.937 1.00 0.00 N ATOM 1557 CA PHE A 109 8.318 -4.014 -6.891 1.00 0.00 C ATOM 1558 C PHE A 109 8.288 -5.506 -6.578 1.00 0.00 C ATOM 1559 O PHE A 109 8.375 -5.912 -5.419 1.00 0.00 O ATOM 1560 CB PHE A 109 8.021 -3.210 -5.623 1.00 0.00 C ATOM 1561 CG PHE A 109 8.427 -1.766 -5.720 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.756 -1.397 -5.590 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.480 -0.780 -5.941 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.132 -0.070 -5.677 1.00 0.00 C ATOM 1565 CE2 PHE A 109 7.850 0.548 -6.030 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.178 0.904 -5.899 1.00 0.00 C ATOM 0 H PHE A 109 6.411 -3.500 -7.599 1.00 0.00 H new ATOM 0 HA PHE A 109 9.313 -3.756 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.954 -3.266 -5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.539 -3.669 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.506 -2.155 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.440 -1.052 -6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.171 0.205 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.101 1.307 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.470 1.941 -5.970 1.00 0.00 H new ATOM 1576 N LYS A 110 8.164 -6.321 -7.622 1.00 0.00 N ATOM 1577 CA LYS A 110 8.123 -7.770 -7.461 1.00 0.00 C ATOM 1578 C LYS A 110 9.415 -8.283 -6.833 1.00 0.00 C ATOM 1579 O LYS A 110 9.386 -9.053 -5.872 1.00 0.00 O ATOM 1580 CB LYS A 110 7.897 -8.447 -8.814 1.00 0.00 C ATOM 1581 CG LYS A 110 6.433 -8.568 -9.197 1.00 0.00 C ATOM 1582 CD LYS A 110 5.831 -9.871 -8.696 1.00 0.00 C ATOM 1583 CE LYS A 110 4.466 -10.129 -9.317 1.00 0.00 C ATOM 1584 NZ LYS A 110 3.430 -9.203 -8.782 1.00 0.00 N ATOM 0 H LYS A 110 8.090 -6.002 -8.588 1.00 0.00 H new ATOM 0 HA LYS A 110 7.294 -8.015 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.420 -7.882 -9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.341 -9.442 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.877 -7.727 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.334 -8.513 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.501 -10.697 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.738 -9.836 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.532 -10.015 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.167 -11.159 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.680 -9.074 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.020 -9.604 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.865 -8.283 -8.566 1.00 0.00 H new ATOM 1598 N SER A 111 10.546 -7.852 -7.380 1.00 0.00 N ATOM 1599 CA SER A 111 11.848 -8.272 -6.875 1.00 0.00 C ATOM 1600 C SER A 111 12.163 -7.585 -5.548 1.00 0.00 C ATOM 1601 O SER A 111 12.559 -6.421 -5.517 1.00 0.00 O ATOM 1602 CB SER A 111 12.942 -7.955 -7.896 1.00 0.00 C ATOM 1603 OG SER A 111 14.230 -8.056 -7.313 1.00 0.00 O ATOM 0 H SER A 111 10.588 -7.212 -8.173 1.00 0.00 H new ATOM 0 HA SER A 111 11.815 -9.349 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.866 -8.642 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.796 -6.949 -8.290 1.00 0.00 H new ATOM 0 HG SER A 111 14.911 -7.850 -7.987 1.00 0.00 H new ATOM 1609 N GLY A 112 11.981 -8.317 -4.453 1.00 0.00 N ATOM 1610 CA GLY A 112 12.249 -7.764 -3.139 1.00 0.00 C ATOM 1611 C GLY A 112 13.517 -8.321 -2.521 1.00 0.00 C ATOM 1612 O GLY A 112 14.408 -8.809 -3.217 1.00 0.00 O ATOM 0 H GLY A 112 11.653 -9.283 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.332 -6.680 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.406 -7.974 -2.481 1.00 0.00 H new ATOM 1616 N PRO A 113 13.611 -8.251 -1.186 1.00 0.00 N ATOM 1617 CA PRO A 113 14.775 -8.746 -0.447 1.00 0.00 C ATOM 1618 C PRO A 113 14.874 -10.267 -0.471 1.00 0.00 C ATOM 1619 O PRO A 113 15.841 -10.844 0.025 1.00 0.00 O ATOM 1620 CB PRO A 113 14.529 -8.248 0.979 1.00 0.00 C ATOM 1621 CG PRO A 113 13.050 -8.094 1.076 1.00 0.00 C ATOM 1622 CD PRO A 113 12.587 -7.682 -0.294 1.00 0.00 C ATOM 0 HA PRO A 113 15.711 -8.394 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.902 -8.958 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 113 15.038 -7.302 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.579 -9.028 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.784 -7.344 1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.595 -8.075 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 113 12.529 -6.598 -0.389 1.00 0.00 H new ATOM 1630 N SER A 114 13.866 -10.912 -1.052 1.00 0.00 N ATOM 1631 CA SER A 114 13.838 -12.367 -1.137 1.00 0.00 C ATOM 1632 C SER A 114 14.976 -12.882 -2.011 1.00 0.00 C ATOM 1633 O SER A 114 14.967 -12.705 -3.230 1.00 0.00 O ATOM 1634 CB SER A 114 12.494 -12.839 -1.698 1.00 0.00 C ATOM 1635 OG SER A 114 12.291 -12.351 -3.013 1.00 0.00 O ATOM 0 H SER A 114 13.059 -10.449 -1.470 1.00 0.00 H new ATOM 0 HA SER A 114 13.966 -12.768 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.460 -13.928 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.686 -12.497 -1.051 1.00 0.00 H new ATOM 0 HG SER A 114 13.150 -12.307 -3.482 1.00 0.00 H new ATOM 1641 N SER A 115 15.956 -13.520 -1.380 1.00 0.00 N ATOM 1642 CA SER A 115 17.105 -14.059 -2.098 1.00 0.00 C ATOM 1643 C SER A 115 16.655 -14.910 -3.282 1.00 0.00 C ATOM 1644 O SER A 115 15.519 -15.379 -3.328 1.00 0.00 O ATOM 1645 CB SER A 115 17.976 -14.894 -1.157 1.00 0.00 C ATOM 1646 OG SER A 115 18.936 -15.643 -1.882 1.00 0.00 O ATOM 0 H SER A 115 15.977 -13.676 -0.372 1.00 0.00 H new ATOM 0 HA SER A 115 17.691 -13.222 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.481 -14.239 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 115 17.347 -15.568 -0.576 1.00 0.00 H new ATOM 0 HG SER A 115 19.481 -16.167 -1.258 1.00 0.00 H new ATOM 1652 N GLY A 116 17.557 -15.103 -4.240 1.00 0.00 N ATOM 1653 CA GLY A 116 17.236 -15.897 -5.412 1.00 0.00 C ATOM 1654 C GLY A 116 18.262 -15.742 -6.516 1.00 0.00 C ATOM 1655 O GLY A 116 18.862 -14.678 -6.671 1.00 0.00 O ATOM 0 H GLY A 116 18.504 -14.724 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 116 17.168 -16.947 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.256 -15.604 -5.788 1.00 0.00 H new TER 1659 GLY A 116