USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 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 6 SER OG : rot 180:sc= -0.0653 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00308 USER MOD Single : A 25 HIS :FLIP no HE2:sc= 0.0541 F(o=-0.62,f=0.054) USER MOD Single : A 28 HIS :FLIP no HE2:sc= -1.49 F(o=-3.2,f=-1.5) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 163:sc= 0 (180deg=-0.0451) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0599 K(o=-0.06,f=-0.77) USER MOD Single : A 62 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0588 K(o=-0.059,f=-0.81) USER MOD Single : A 78 HIS : no HE2:sc= -1.87 X(o=-1.9,f=-1.7) USER MOD Single : A 81 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 33:sc= 1.09 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.695 -1.423 -2.665 1.00 0.00 N ATOM 2 CA GLY A 1 -33.731 -2.633 -3.466 1.00 0.00 C ATOM 3 C GLY A 1 -32.605 -2.692 -4.479 1.00 0.00 C ATOM 4 O GLY A 1 -32.839 -2.590 -5.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.485 -1.431 -1.988 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.795 -1.377 -2.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.779 -0.593 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.671 -3.501 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.687 -2.692 -3.986 1.00 0.00 H new ATOM 8 N SER A 2 -31.380 -2.856 -3.991 1.00 0.00 N ATOM 9 CA SER A 2 -30.213 -2.923 -4.862 1.00 0.00 C ATOM 10 C SER A 2 -29.745 -4.365 -5.034 1.00 0.00 C ATOM 11 O SER A 2 -29.775 -5.156 -4.091 1.00 0.00 O ATOM 12 CB SER A 2 -29.076 -2.071 -4.294 1.00 0.00 C ATOM 13 OG SER A 2 -27.930 -2.130 -5.124 1.00 0.00 O ATOM 0 H SER A 2 -31.170 -2.945 -2.997 1.00 0.00 H new ATOM 0 HA SER A 2 -30.497 -2.532 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.406 -1.037 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.822 -2.419 -3.293 1.00 0.00 H new ATOM 0 HG SER A 2 -27.219 -1.576 -4.740 1.00 0.00 H new ATOM 19 N SER A 3 -29.313 -4.700 -6.245 1.00 0.00 N ATOM 20 CA SER A 3 -28.842 -6.047 -6.544 1.00 0.00 C ATOM 21 C SER A 3 -27.674 -6.427 -5.639 1.00 0.00 C ATOM 22 O SER A 3 -26.565 -5.915 -5.788 1.00 0.00 O ATOM 23 CB SER A 3 -28.420 -6.150 -8.011 1.00 0.00 C ATOM 24 OG SER A 3 -29.524 -5.944 -8.875 1.00 0.00 O ATOM 0 H SER A 3 -29.279 -4.057 -7.036 1.00 0.00 H new ATOM 0 HA SER A 3 -29.662 -6.741 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.646 -5.412 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.985 -7.131 -8.199 1.00 0.00 H new ATOM 0 HG SER A 3 -29.228 -6.013 -9.807 1.00 0.00 H new ATOM 30 N GLY A 4 -27.931 -7.331 -4.698 1.00 0.00 N ATOM 31 CA GLY A 4 -26.893 -7.765 -3.782 1.00 0.00 C ATOM 32 C GLY A 4 -26.500 -6.684 -2.796 1.00 0.00 C ATOM 33 O GLY A 4 -27.294 -5.793 -2.492 1.00 0.00 O ATOM 0 H GLY A 4 -28.840 -7.770 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.239 -8.642 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.015 -8.070 -4.351 1.00 0.00 H new ATOM 37 N SER A 5 -25.273 -6.761 -2.292 1.00 0.00 N ATOM 38 CA SER A 5 -24.779 -5.784 -1.329 1.00 0.00 C ATOM 39 C SER A 5 -25.254 -4.379 -1.689 1.00 0.00 C ATOM 40 O SER A 5 -25.208 -3.974 -2.850 1.00 0.00 O ATOM 41 CB SER A 5 -23.250 -5.819 -1.274 1.00 0.00 C ATOM 42 OG SER A 5 -22.790 -6.990 -0.622 1.00 0.00 O ATOM 0 H SER A 5 -24.602 -7.490 -2.535 1.00 0.00 H new ATOM 0 HA SER A 5 -25.177 -6.044 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.846 -5.779 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.882 -4.938 -0.749 1.00 0.00 H new ATOM 0 HG SER A 5 -21.810 -6.989 -0.601 1.00 0.00 H new ATOM 48 N SER A 6 -25.710 -3.640 -0.682 1.00 0.00 N ATOM 49 CA SER A 6 -26.198 -2.282 -0.891 1.00 0.00 C ATOM 50 C SER A 6 -25.148 -1.257 -0.470 1.00 0.00 C ATOM 51 O SER A 6 -24.841 -0.326 -1.213 1.00 0.00 O ATOM 52 CB SER A 6 -27.491 -2.056 -0.107 1.00 0.00 C ATOM 53 OG SER A 6 -28.612 -2.557 -0.815 1.00 0.00 O ATOM 0 H SER A 6 -25.752 -3.959 0.286 1.00 0.00 H new ATOM 0 HA SER A 6 -26.400 -2.154 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.421 -2.546 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.623 -0.991 0.083 1.00 0.00 H new ATOM 0 HG SER A 6 -29.426 -2.402 -0.291 1.00 0.00 H new ATOM 59 N GLY A 7 -24.601 -1.438 0.728 1.00 0.00 N ATOM 60 CA GLY A 7 -23.593 -0.522 1.229 1.00 0.00 C ATOM 61 C GLY A 7 -22.202 -1.125 1.210 1.00 0.00 C ATOM 62 O GLY A 7 -22.027 -2.288 0.847 1.00 0.00 O ATOM 0 H GLY A 7 -24.838 -2.202 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.600 0.386 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.846 -0.231 2.248 1.00 0.00 H new ATOM 66 N ARG A 8 -21.210 -0.332 1.602 1.00 0.00 N ATOM 67 CA ARG A 8 -19.827 -0.794 1.626 1.00 0.00 C ATOM 68 C ARG A 8 -19.591 -1.743 2.797 1.00 0.00 C ATOM 69 O ARG A 8 -20.400 -1.815 3.723 1.00 0.00 O ATOM 70 CB ARG A 8 -18.871 0.396 1.720 1.00 0.00 C ATOM 71 CG ARG A 8 -18.443 0.942 0.367 1.00 0.00 C ATOM 72 CD ARG A 8 -17.557 -0.045 -0.376 1.00 0.00 C ATOM 73 NE ARG A 8 -16.657 0.625 -1.311 1.00 0.00 N ATOM 74 CZ ARG A 8 -15.488 1.148 -0.959 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.079 1.078 0.300 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.724 1.741 -1.868 1.00 0.00 N ATOM 0 H ARG A 8 -21.338 0.633 1.907 1.00 0.00 H new ATOM 0 HA ARG A 8 -19.635 -1.334 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.351 1.193 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.984 0.096 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.326 1.164 -0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.907 1.881 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.972 -0.619 0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.181 -0.755 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.942 0.695 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.663 0.622 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.181 1.480 0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.034 1.795 -2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.826 2.142 -1.596 1.00 0.00 H new ATOM 90 N ILE A 9 -18.480 -2.469 2.749 1.00 0.00 N ATOM 91 CA ILE A 9 -18.138 -3.413 3.806 1.00 0.00 C ATOM 92 C ILE A 9 -16.634 -3.659 3.858 1.00 0.00 C ATOM 93 O ILE A 9 -15.883 -3.163 3.017 1.00 0.00 O ATOM 94 CB ILE A 9 -18.860 -4.759 3.614 1.00 0.00 C ATOM 95 CG1 ILE A 9 -18.955 -5.105 2.126 1.00 0.00 C ATOM 96 CG2 ILE A 9 -20.246 -4.711 4.241 1.00 0.00 C ATOM 97 CD1 ILE A 9 -17.628 -5.491 1.510 1.00 0.00 C ATOM 0 H ILE A 9 -17.801 -2.422 1.989 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.464 -2.966 4.745 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.283 -5.538 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.659 -5.927 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -19.361 -4.249 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.744 -5.670 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.156 -4.506 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.832 -3.923 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.771 -5.723 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.927 -4.662 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.229 -6.366 2.023 1.00 0.00 H new ATOM 109 N VAL A 10 -16.199 -4.430 4.849 1.00 0.00 N ATOM 110 CA VAL A 10 -14.785 -4.745 5.010 1.00 0.00 C ATOM 111 C VAL A 10 -14.474 -6.150 4.505 1.00 0.00 C ATOM 112 O VAL A 10 -13.399 -6.402 3.962 1.00 0.00 O ATOM 113 CB VAL A 10 -14.348 -4.633 6.483 1.00 0.00 C ATOM 114 CG1 VAL A 10 -12.873 -4.971 6.630 1.00 0.00 C ATOM 115 CG2 VAL A 10 -14.640 -3.240 7.020 1.00 0.00 C ATOM 0 H VAL A 10 -16.807 -4.849 5.553 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.230 -4.017 4.418 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.921 -5.352 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.583 -4.886 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.697 -5.990 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.280 -4.279 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.325 -3.178 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.095 -2.502 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.709 -3.041 6.952 1.00 0.00 H new ATOM 125 N GLY A 11 -15.424 -7.062 4.687 1.00 0.00 N ATOM 126 CA GLY A 11 -15.232 -8.431 4.244 1.00 0.00 C ATOM 127 C GLY A 11 -14.729 -9.334 5.352 1.00 0.00 C ATOM 128 O GLY A 11 -14.673 -8.930 6.513 1.00 0.00 O ATOM 0 H GLY A 11 -16.323 -6.878 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.175 -8.821 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.522 -8.446 3.417 1.00 0.00 H new ATOM 132 N GLU A 12 -14.364 -10.561 4.993 1.00 0.00 N ATOM 133 CA GLU A 12 -13.865 -11.524 5.968 1.00 0.00 C ATOM 134 C GLU A 12 -12.345 -11.638 5.891 1.00 0.00 C ATOM 135 O GLU A 12 -11.753 -11.491 4.821 1.00 0.00 O ATOM 136 CB GLU A 12 -14.503 -12.896 5.735 1.00 0.00 C ATOM 137 CG GLU A 12 -15.856 -13.060 6.406 1.00 0.00 C ATOM 138 CD GLU A 12 -15.745 -13.233 7.908 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.194 -12.329 8.570 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.208 -14.273 8.421 1.00 0.00 O ATOM 0 H GLU A 12 -14.404 -10.911 4.036 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.136 -11.169 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.617 -13.057 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.828 -13.668 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.473 -12.188 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.366 -13.925 5.981 1.00 0.00 H new ATOM 147 N LEU A 13 -11.720 -11.901 7.034 1.00 0.00 N ATOM 148 CA LEU A 13 -10.268 -12.034 7.098 1.00 0.00 C ATOM 149 C LEU A 13 -9.765 -13.020 6.048 1.00 0.00 C ATOM 150 O LEU A 13 -8.960 -12.667 5.188 1.00 0.00 O ATOM 151 CB LEU A 13 -9.840 -12.494 8.493 1.00 0.00 C ATOM 152 CG LEU A 13 -9.877 -11.430 9.591 1.00 0.00 C ATOM 153 CD1 LEU A 13 -9.694 -12.069 10.959 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.810 -10.373 9.346 1.00 0.00 C ATOM 0 H LEU A 13 -12.195 -12.026 7.928 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.828 -11.058 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.483 -13.321 8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.825 -12.886 8.429 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.852 -10.944 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.723 -11.297 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.495 -12.787 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.733 -12.582 10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.851 -9.624 10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.826 -10.843 9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.987 -9.894 8.383 1.00 0.00 H new ATOM 166 N GLU A 14 -10.248 -14.256 6.126 1.00 0.00 N ATOM 167 CA GLU A 14 -9.847 -15.293 5.181 1.00 0.00 C ATOM 168 C GLU A 14 -10.154 -14.870 3.747 1.00 0.00 C ATOM 169 O GLU A 14 -9.386 -15.152 2.829 1.00 0.00 O ATOM 170 CB GLU A 14 -10.560 -16.608 5.500 1.00 0.00 C ATOM 171 CG GLU A 14 -9.923 -17.385 6.640 1.00 0.00 C ATOM 172 CD GLU A 14 -8.820 -18.313 6.169 1.00 0.00 C ATOM 173 OE1 GLU A 14 -8.073 -17.924 5.246 1.00 0.00 O ATOM 174 OE2 GLU A 14 -8.704 -19.426 6.721 1.00 0.00 O ATOM 0 H GLU A 14 -10.916 -14.564 6.832 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.771 -15.439 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.599 -16.396 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.569 -17.232 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.516 -16.685 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.690 -17.968 7.151 1.00 0.00 H new ATOM 181 N GLN A 15 -11.283 -14.192 3.565 1.00 0.00 N ATOM 182 CA GLN A 15 -11.692 -13.731 2.244 1.00 0.00 C ATOM 183 C GLN A 15 -10.621 -12.842 1.621 1.00 0.00 C ATOM 184 O GLN A 15 -10.475 -12.793 0.400 1.00 0.00 O ATOM 185 CB GLN A 15 -13.016 -12.969 2.334 1.00 0.00 C ATOM 186 CG GLN A 15 -14.240 -13.868 2.279 1.00 0.00 C ATOM 187 CD GLN A 15 -14.620 -14.250 0.862 1.00 0.00 C ATOM 188 OE1 GLN A 15 -13.957 -15.073 0.230 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.693 -13.654 0.354 1.00 0.00 N ATOM 0 H GLN A 15 -11.930 -13.950 4.315 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.827 -14.606 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.035 -12.399 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.067 -12.249 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.048 -14.773 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.081 -13.360 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.213 -12.978 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.997 -13.873 -0.595 1.00 0.00 H new ATOM 198 N MET A 16 -9.875 -12.142 2.469 1.00 0.00 N ATOM 199 CA MET A 16 -8.816 -11.255 2.000 1.00 0.00 C ATOM 200 C MET A 16 -7.772 -12.029 1.201 1.00 0.00 C ATOM 201 O MET A 16 -7.564 -13.222 1.424 1.00 0.00 O ATOM 202 CB MET A 16 -8.150 -10.551 3.184 1.00 0.00 C ATOM 203 CG MET A 16 -9.125 -9.784 4.063 1.00 0.00 C ATOM 204 SD MET A 16 -8.298 -8.641 5.185 1.00 0.00 S ATOM 205 CE MET A 16 -9.702 -7.937 6.046 1.00 0.00 C ATOM 0 H MET A 16 -9.984 -12.171 3.483 1.00 0.00 H new ATOM 0 HA MET A 16 -9.266 -10.507 1.347 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.632 -11.292 3.792 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.394 -9.862 2.808 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.818 -9.229 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.718 -10.491 4.643 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.352 -7.208 6.777 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.359 -7.445 5.329 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.250 -8.729 6.557 1.00 0.00 H new ATOM 215 N VAL A 17 -7.118 -11.343 0.270 1.00 0.00 N ATOM 216 CA VAL A 17 -6.095 -11.966 -0.562 1.00 0.00 C ATOM 217 C VAL A 17 -4.799 -11.163 -0.534 1.00 0.00 C ATOM 218 O VAL A 17 -4.812 -9.939 -0.664 1.00 0.00 O ATOM 219 CB VAL A 17 -6.567 -12.106 -2.021 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.902 -12.832 -2.083 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.663 -10.740 -2.684 1.00 0.00 C ATOM 0 H VAL A 17 -7.278 -10.355 0.072 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.913 -12.958 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.832 -12.698 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.220 -12.922 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.796 -13.826 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.649 -12.269 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.998 -10.858 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.376 -10.121 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.684 -10.261 -2.674 1.00 0.00 H new ATOM 231 N SER A 18 -3.681 -11.861 -0.363 1.00 0.00 N ATOM 232 CA SER A 18 -2.376 -11.212 -0.314 1.00 0.00 C ATOM 233 C SER A 18 -1.817 -11.010 -1.719 1.00 0.00 C ATOM 234 O SER A 18 -1.783 -11.939 -2.524 1.00 0.00 O ATOM 235 CB SER A 18 -1.400 -12.045 0.520 1.00 0.00 C ATOM 236 OG SER A 18 -0.905 -13.146 -0.222 1.00 0.00 O ATOM 0 H SER A 18 -3.653 -12.875 -0.256 1.00 0.00 H new ATOM 0 HA SER A 18 -2.501 -10.235 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.569 -11.419 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.900 -12.404 1.419 1.00 0.00 H new ATOM 0 HG SER A 18 -0.282 -13.661 0.333 1.00 0.00 H new ATOM 242 N GLU A 19 -1.379 -9.787 -2.004 1.00 0.00 N ATOM 243 CA GLU A 19 -0.823 -9.462 -3.312 1.00 0.00 C ATOM 244 C GLU A 19 0.554 -8.819 -3.173 1.00 0.00 C ATOM 245 O GLU A 19 0.917 -8.328 -2.104 1.00 0.00 O ATOM 246 CB GLU A 19 -1.762 -8.523 -4.072 1.00 0.00 C ATOM 247 CG GLU A 19 -2.800 -9.249 -4.911 1.00 0.00 C ATOM 248 CD GLU A 19 -4.033 -8.405 -5.172 1.00 0.00 C ATOM 249 OE1 GLU A 19 -3.970 -7.518 -6.049 1.00 0.00 O ATOM 250 OE2 GLU A 19 -5.060 -8.632 -4.500 1.00 0.00 O ATOM 0 H GLU A 19 -1.399 -9.007 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.717 -10.390 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.272 -7.876 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.170 -7.877 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.355 -9.539 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.094 -10.168 -4.404 1.00 0.00 H new ATOM 257 N ASP A 20 1.316 -8.826 -4.261 1.00 0.00 N ATOM 258 CA ASP A 20 2.653 -8.243 -4.262 1.00 0.00 C ATOM 259 C ASP A 20 2.715 -7.025 -5.179 1.00 0.00 C ATOM 260 O ASP A 20 2.492 -7.132 -6.385 1.00 0.00 O ATOM 261 CB ASP A 20 3.686 -9.282 -4.702 1.00 0.00 C ATOM 262 CG ASP A 20 3.235 -10.066 -5.918 1.00 0.00 C ATOM 263 OD1 ASP A 20 3.479 -9.599 -7.050 1.00 0.00 O ATOM 264 OD2 ASP A 20 2.639 -11.148 -5.738 1.00 0.00 O ATOM 0 H ASP A 20 1.031 -9.229 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 20 2.883 -7.922 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.628 -8.782 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.877 -9.971 -3.879 1.00 0.00 H new ATOM 269 N VAL A 21 3.018 -5.868 -4.599 1.00 0.00 N ATOM 270 CA VAL A 21 3.109 -4.631 -5.364 1.00 0.00 C ATOM 271 C VAL A 21 4.552 -4.148 -5.460 1.00 0.00 C ATOM 272 O VAL A 21 5.223 -3.915 -4.454 1.00 0.00 O ATOM 273 CB VAL A 21 2.248 -3.518 -4.737 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.930 -2.444 -5.766 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.971 -4.101 -4.150 1.00 0.00 C ATOM 0 H VAL A 21 3.205 -5.762 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 21 2.735 -4.850 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 21 2.815 -3.055 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.321 -1.667 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.858 -2.007 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.383 -2.888 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.374 -3.301 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.399 -4.590 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.224 -4.830 -3.380 1.00 0.00 H new ATOM 285 N PRO A 22 5.044 -3.994 -6.698 1.00 0.00 N ATOM 286 CA PRO A 22 6.412 -3.536 -6.955 1.00 0.00 C ATOM 287 C PRO A 22 6.613 -2.070 -6.587 1.00 0.00 C ATOM 288 O PRO A 22 6.218 -1.173 -7.333 1.00 0.00 O ATOM 289 CB PRO A 22 6.576 -3.736 -8.464 1.00 0.00 C ATOM 290 CG PRO A 22 5.190 -3.671 -9.007 1.00 0.00 C ATOM 291 CD PRO A 22 4.301 -4.253 -7.943 1.00 0.00 C ATOM 0 HA PRO A 22 7.142 -4.081 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.209 -2.963 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.044 -4.694 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.907 -2.643 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.108 -4.235 -9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.321 -3.776 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.135 -5.319 -8.097 1.00 0.00 H new ATOM 299 N LEU A 23 7.228 -1.834 -5.434 1.00 0.00 N ATOM 300 CA LEU A 23 7.482 -0.475 -4.967 1.00 0.00 C ATOM 301 C LEU A 23 8.975 -0.237 -4.768 1.00 0.00 C ATOM 302 O LEU A 23 9.660 -1.030 -4.121 1.00 0.00 O ATOM 303 CB LEU A 23 6.734 -0.217 -3.657 1.00 0.00 C ATOM 304 CG LEU A 23 6.566 1.249 -3.258 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.675 1.975 -4.254 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.994 1.357 -1.852 1.00 0.00 C ATOM 0 H LEU A 23 7.560 -2.565 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 23 7.121 0.217 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.745 -0.668 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.260 -0.733 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 23 7.548 1.722 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.567 3.017 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.125 1.928 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.694 1.501 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.881 2.408 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.021 0.867 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.670 0.874 -1.146 1.00 0.00 H new ATOM 318 N ASP A 24 9.474 0.860 -5.327 1.00 0.00 N ATOM 319 CA ASP A 24 10.886 1.204 -5.209 1.00 0.00 C ATOM 320 C ASP A 24 11.230 1.601 -3.777 1.00 0.00 C ATOM 321 O ASP A 24 10.442 2.259 -3.098 1.00 0.00 O ATOM 322 CB ASP A 24 11.236 2.345 -6.166 1.00 0.00 C ATOM 323 CG ASP A 24 12.724 2.431 -6.444 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.456 2.981 -5.594 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.157 1.948 -7.511 1.00 0.00 O ATOM 0 H ASP A 24 8.921 1.526 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 24 11.473 0.325 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.701 2.204 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.893 3.289 -5.742 1.00 0.00 H new ATOM 330 N HIS A 25 12.412 1.195 -3.324 1.00 0.00 N ATOM 331 CA HIS A 25 12.861 1.508 -1.972 1.00 0.00 C ATOM 332 C HIS A 25 13.103 3.006 -1.813 1.00 0.00 C ATOM 333 O HIS A 25 13.236 3.507 -0.696 1.00 0.00 O ATOM 334 CB HIS A 25 14.139 0.735 -1.645 1.00 0.00 C ATOM 335 CG HIS A 25 14.330 0.484 -0.180 1.00 0.00 C ATOM 336 ND1 HIS A 25 13.821 1.122 0.900 1.00 0.00 N flip ATOM 337 CD2 HIS A 25 15.127 -0.526 0.313 1.00 0.00 C flip ATOM 338 CE1 HIS A 25 14.315 0.490 2.015 1.00 0.00 C flip ATOM 339 NE2 HIS A 25 15.100 -0.501 1.633 1.00 0.00 N flip ATOM 0 H HIS A 25 13.076 0.649 -3.873 1.00 0.00 H new ATOM 0 HA HIS A 25 12.077 1.209 -1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.120 -0.220 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.997 1.290 -2.025 1.00 0.00 H new ATOM 0 HD1 HIS A 25 13.189 1.922 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.687 -1.229 -0.287 1.00 0.00 H new ATOM 0 HE1 HIS A 25 14.097 0.760 3.038 1.00 0.00 H new ATOM 347 N ARG A 26 13.159 3.714 -2.936 1.00 0.00 N ATOM 348 CA ARG A 26 13.387 5.154 -2.920 1.00 0.00 C ATOM 349 C ARG A 26 12.107 5.903 -2.563 1.00 0.00 C ATOM 350 O ARG A 26 12.142 7.085 -2.222 1.00 0.00 O ATOM 351 CB ARG A 26 13.904 5.624 -4.281 1.00 0.00 C ATOM 352 CG ARG A 26 15.353 5.252 -4.545 1.00 0.00 C ATOM 353 CD ARG A 26 15.833 5.790 -5.884 1.00 0.00 C ATOM 354 NE ARG A 26 15.603 4.841 -6.969 1.00 0.00 N ATOM 355 CZ ARG A 26 16.217 4.906 -8.145 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.094 5.871 -8.386 1.00 0.00 N ATOM 357 NH2 ARG A 26 15.955 4.005 -9.083 1.00 0.00 N ATOM 0 H ARG A 26 13.050 3.314 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 26 14.137 5.370 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.279 5.195 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.798 6.707 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.982 5.647 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.460 4.167 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.318 6.725 -6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.897 6.019 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 26 14.934 4.086 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.298 6.565 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.564 5.919 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.281 3.261 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.427 4.056 -9.986 1.00 0.00 H new ATOM 371 N VAL A 27 10.977 5.207 -2.645 1.00 0.00 N ATOM 372 CA VAL A 27 9.686 5.805 -2.331 1.00 0.00 C ATOM 373 C VAL A 27 9.019 5.090 -1.161 1.00 0.00 C ATOM 374 O VAL A 27 7.862 5.358 -0.833 1.00 0.00 O ATOM 375 CB VAL A 27 8.740 5.771 -3.546 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.382 6.458 -4.742 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.361 4.338 -3.885 1.00 0.00 C ATOM 0 H VAL A 27 10.930 4.228 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 27 9.877 6.843 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 27 7.830 6.313 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.699 6.424 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.599 7.497 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.309 5.946 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.692 4.332 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.261 3.770 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.858 3.883 -3.032 1.00 0.00 H new ATOM 387 N HIS A 28 9.756 4.179 -0.534 1.00 0.00 N ATOM 388 CA HIS A 28 9.236 3.425 0.601 1.00 0.00 C ATOM 389 C HIS A 28 8.936 4.350 1.777 1.00 0.00 C ATOM 390 O HIS A 28 7.777 4.577 2.121 1.00 0.00 O ATOM 391 CB HIS A 28 10.236 2.349 1.026 1.00 0.00 C ATOM 392 CG HIS A 28 10.068 1.053 0.294 1.00 0.00 C ATOM 393 ND1 HIS A 28 9.465 0.774 -0.885 1.00 0.00 N flip ATOM 394 CD2 HIS A 28 10.550 -0.148 0.770 1.00 0.00 C flip ATOM 395 CE1 HIS A 28 9.594 -0.577 -1.099 1.00 0.00 C flip ATOM 396 NE2 HIS A 28 10.253 -1.110 -0.086 1.00 0.00 N flip ATOM 0 H HIS A 28 10.715 3.945 -0.792 1.00 0.00 H new ATOM 0 HA HIS A 28 8.307 2.946 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.248 2.720 0.863 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.131 2.169 2.096 1.00 0.00 H new ATOM 0 HD1 HIS A 28 9.001 1.442 -1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.087 -0.282 1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.218 -1.116 -1.956 1.00 0.00 H new ATOM 404 N ALA A 29 9.989 4.881 2.390 1.00 0.00 N ATOM 405 CA ALA A 29 9.839 5.782 3.525 1.00 0.00 C ATOM 406 C ALA A 29 8.915 6.946 3.184 1.00 0.00 C ATOM 407 O ALA A 29 7.983 7.251 3.929 1.00 0.00 O ATOM 408 CB ALA A 29 11.198 6.298 3.973 1.00 0.00 C ATOM 0 H ALA A 29 10.956 4.702 2.119 1.00 0.00 H new ATOM 0 HA ALA A 29 9.388 5.222 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.070 6.970 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.827 5.458 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.671 6.836 3.152 1.00 0.00 H new ATOM 414 N ARG A 30 9.179 7.593 2.053 1.00 0.00 N ATOM 415 CA ARG A 30 8.371 8.725 1.614 1.00 0.00 C ATOM 416 C ARG A 30 6.884 8.425 1.772 1.00 0.00 C ATOM 417 O ARG A 30 6.100 9.302 2.139 1.00 0.00 O ATOM 418 CB ARG A 30 8.682 9.064 0.155 1.00 0.00 C ATOM 419 CG ARG A 30 9.810 10.069 -0.009 1.00 0.00 C ATOM 420 CD ARG A 30 11.162 9.443 0.296 1.00 0.00 C ATOM 421 NE ARG A 30 12.218 10.446 0.404 1.00 0.00 N ATOM 422 CZ ARG A 30 13.382 10.226 1.005 1.00 0.00 C ATOM 423 NH1 ARG A 30 13.639 9.044 1.548 1.00 0.00 N ATOM 424 NH2 ARG A 30 14.293 11.189 1.063 1.00 0.00 N ATOM 0 H ARG A 30 9.946 7.353 1.424 1.00 0.00 H new ATOM 0 HA ARG A 30 8.619 9.582 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.943 8.148 -0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.783 9.460 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.809 10.456 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.642 10.917 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.099 8.881 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.417 8.731 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 30 12.053 11.366 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.942 8.301 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.534 8.878 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.100 12.100 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.186 11.019 1.525 1.00 0.00 H new ATOM 438 N ILE A 31 6.502 7.183 1.493 1.00 0.00 N ATOM 439 CA ILE A 31 5.109 6.769 1.605 1.00 0.00 C ATOM 440 C ILE A 31 4.764 6.385 3.040 1.00 0.00 C ATOM 441 O ILE A 31 3.730 6.793 3.570 1.00 0.00 O ATOM 442 CB ILE A 31 4.800 5.579 0.679 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.773 6.035 -0.782 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.474 4.938 1.064 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.829 4.893 -1.772 1.00 0.00 C ATOM 0 H ILE A 31 7.138 6.446 1.188 1.00 0.00 H new ATOM 0 HA ILE A 31 4.501 7.621 1.303 1.00 0.00 H new ATOM 0 HB ILE A 31 5.588 4.835 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.866 6.613 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.616 6.703 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.270 4.098 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.527 4.583 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.675 5.674 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.806 5.290 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.749 4.328 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.972 4.237 -1.620 1.00 0.00 H new ATOM 457 N ILE A 32 5.636 5.600 3.663 1.00 0.00 N ATOM 458 CA ILE A 32 5.425 5.164 5.038 1.00 0.00 C ATOM 459 C ILE A 32 5.159 6.352 5.957 1.00 0.00 C ATOM 460 O ILE A 32 4.336 6.273 6.868 1.00 0.00 O ATOM 461 CB ILE A 32 6.636 4.377 5.571 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.892 3.143 4.704 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.410 3.975 7.021 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.344 2.718 4.671 1.00 0.00 C ATOM 0 H ILE A 32 6.496 5.253 3.238 1.00 0.00 H new ATOM 0 HA ILE A 32 4.552 4.511 5.032 1.00 0.00 H new ATOM 0 HB ILE A 32 7.516 5.018 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.288 2.316 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.559 3.348 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.275 3.419 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.272 4.869 7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.521 3.348 7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.451 1.837 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.952 3.529 4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.677 2.481 5.681 1.00 0.00 H new ATOM 476 N GLY A 33 5.862 7.453 5.710 1.00 0.00 N ATOM 477 CA GLY A 33 5.687 8.643 6.523 1.00 0.00 C ATOM 478 C GLY A 33 6.678 8.714 7.667 1.00 0.00 C ATOM 479 O GLY A 33 7.769 8.150 7.588 1.00 0.00 O ATOM 0 H GLY A 33 6.549 7.542 4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.797 9.527 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.673 8.660 6.923 1.00 0.00 H new ATOM 483 N ALA A 34 6.300 9.412 8.733 1.00 0.00 N ATOM 484 CA ALA A 34 7.164 9.555 9.898 1.00 0.00 C ATOM 485 C ALA A 34 6.900 8.450 10.916 1.00 0.00 C ATOM 486 O ALA A 34 7.784 7.649 11.220 1.00 0.00 O ATOM 487 CB ALA A 34 6.967 10.922 10.537 1.00 0.00 C ATOM 0 H ALA A 34 5.401 9.887 8.814 1.00 0.00 H new ATOM 0 HA ALA A 34 8.198 9.467 9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.619 11.015 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.213 11.700 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.928 11.031 10.849 1.00 0.00 H new ATOM 493 N ARG A 35 5.679 8.414 11.440 1.00 0.00 N ATOM 494 CA ARG A 35 5.301 7.409 12.426 1.00 0.00 C ATOM 495 C ARG A 35 4.344 6.387 11.819 1.00 0.00 C ATOM 496 O ARG A 35 3.577 5.740 12.532 1.00 0.00 O ATOM 497 CB ARG A 35 4.650 8.074 13.640 1.00 0.00 C ATOM 498 CG ARG A 35 5.652 8.617 14.646 1.00 0.00 C ATOM 499 CD ARG A 35 4.958 9.146 15.892 1.00 0.00 C ATOM 500 NE ARG A 35 5.755 10.165 16.571 1.00 0.00 N ATOM 501 CZ ARG A 35 5.417 10.707 17.736 1.00 0.00 C ATOM 502 NH1 ARG A 35 4.304 10.328 18.349 1.00 0.00 N ATOM 503 NH2 ARG A 35 6.194 11.628 18.290 1.00 0.00 N ATOM 0 H ARG A 35 4.935 9.069 11.198 1.00 0.00 H new ATOM 0 HA ARG A 35 6.205 6.891 12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.012 8.889 13.299 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.004 7.351 14.137 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.353 7.830 14.925 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.235 9.415 14.186 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.990 9.566 15.617 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.765 8.321 16.577 1.00 0.00 H new ATOM 0 HE ARG A 35 6.618 10.477 16.126 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.705 9.619 17.926 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.047 10.746 19.243 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.052 11.921 17.822 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.934 12.044 19.184 1.00 0.00 H new ATOM 517 N GLY A 36 4.395 6.247 10.498 1.00 0.00 N ATOM 518 CA GLY A 36 3.528 5.302 9.818 1.00 0.00 C ATOM 519 C GLY A 36 2.129 5.847 9.608 1.00 0.00 C ATOM 520 O GLY A 36 1.154 5.096 9.620 1.00 0.00 O ATOM 0 H GLY A 36 5.021 6.771 9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.963 5.044 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.473 4.381 10.399 1.00 0.00 H new ATOM 524 N LYS A 37 2.029 7.158 9.416 1.00 0.00 N ATOM 525 CA LYS A 37 0.740 7.804 9.202 1.00 0.00 C ATOM 526 C LYS A 37 0.394 7.851 7.717 1.00 0.00 C ATOM 527 O LYS A 37 -0.683 7.420 7.307 1.00 0.00 O ATOM 528 CB LYS A 37 0.755 9.222 9.778 1.00 0.00 C ATOM 529 CG LYS A 37 -0.597 9.911 9.734 1.00 0.00 C ATOM 530 CD LYS A 37 -1.414 9.618 10.981 1.00 0.00 C ATOM 531 CE LYS A 37 -2.871 10.016 10.799 1.00 0.00 C ATOM 532 NZ LYS A 37 -3.611 10.016 12.091 1.00 0.00 N ATOM 0 H LYS A 37 2.826 7.794 9.404 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.022 7.217 9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.099 9.182 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.477 9.822 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.455 10.987 9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.146 9.580 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.353 8.555 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.992 10.157 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.923 11.008 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.352 9.327 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.600 10.292 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.583 9.063 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.168 10.692 12.745 1.00 0.00 H new ATOM 546 N ALA A 38 1.315 8.377 6.916 1.00 0.00 N ATOM 547 CA ALA A 38 1.109 8.477 5.477 1.00 0.00 C ATOM 548 C ALA A 38 0.591 7.162 4.904 1.00 0.00 C ATOM 549 O ALA A 38 -0.163 7.152 3.930 1.00 0.00 O ATOM 550 CB ALA A 38 2.402 8.883 4.785 1.00 0.00 C ATOM 0 H ALA A 38 2.211 8.740 7.240 1.00 0.00 H new ATOM 0 HA ALA A 38 0.356 9.244 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.233 8.954 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.730 9.850 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.171 8.136 4.983 1.00 0.00 H new ATOM 556 N ILE A 39 1.001 6.054 5.513 1.00 0.00 N ATOM 557 CA ILE A 39 0.578 4.734 5.063 1.00 0.00 C ATOM 558 C ILE A 39 -0.689 4.287 5.785 1.00 0.00 C ATOM 559 O ILE A 39 -1.392 3.387 5.327 1.00 0.00 O ATOM 560 CB ILE A 39 1.681 3.683 5.287 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.325 2.378 4.572 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.886 3.439 6.775 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.389 2.478 3.064 1.00 0.00 C ATOM 0 H ILE A 39 1.626 6.045 6.319 1.00 0.00 H new ATOM 0 HA ILE A 39 0.376 4.814 3.995 1.00 0.00 H new ATOM 0 HB ILE A 39 2.614 4.062 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.005 1.594 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.320 2.075 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.669 2.694 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.179 4.370 7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.957 3.078 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.125 1.516 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.689 3.239 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.400 2.751 2.760 1.00 0.00 H new ATOM 575 N ARG A 40 -0.974 4.924 6.916 1.00 0.00 N ATOM 576 CA ARG A 40 -2.157 4.592 7.702 1.00 0.00 C ATOM 577 C ARG A 40 -3.428 5.042 6.987 1.00 0.00 C ATOM 578 O ARG A 40 -4.435 4.334 6.983 1.00 0.00 O ATOM 579 CB ARG A 40 -2.077 5.245 9.083 1.00 0.00 C ATOM 580 CG ARG A 40 -3.004 4.613 10.109 1.00 0.00 C ATOM 581 CD ARG A 40 -2.427 3.317 10.657 1.00 0.00 C ATOM 582 NE ARG A 40 -1.525 3.552 11.782 1.00 0.00 N ATOM 583 CZ ARG A 40 -0.598 2.684 12.174 1.00 0.00 C ATOM 584 NH1 ARG A 40 -0.452 1.531 11.535 1.00 0.00 N ATOM 585 NH2 ARG A 40 0.185 2.970 13.206 1.00 0.00 N ATOM 0 H ARG A 40 -0.403 5.672 7.309 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.192 3.509 7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.051 5.184 9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.319 6.304 8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.173 5.312 10.928 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.974 4.416 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.240 2.664 10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.890 2.796 9.865 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.611 4.430 12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.052 1.309 10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.260 0.867 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.076 3.856 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.896 2.304 13.507 1.00 0.00 H new ATOM 599 N LYS A 41 -3.374 6.225 6.384 1.00 0.00 N ATOM 600 CA LYS A 41 -4.519 6.771 5.665 1.00 0.00 C ATOM 601 C LYS A 41 -4.826 5.943 4.421 1.00 0.00 C ATOM 602 O LYS A 41 -5.987 5.770 4.051 1.00 0.00 O ATOM 603 CB LYS A 41 -4.254 8.225 5.270 1.00 0.00 C ATOM 604 CG LYS A 41 -3.381 8.371 4.036 1.00 0.00 C ATOM 605 CD LYS A 41 -3.339 9.810 3.549 1.00 0.00 C ATOM 606 CE LYS A 41 -2.038 10.114 2.822 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.052 11.470 2.205 1.00 0.00 N ATOM 0 H LYS A 41 -2.549 6.824 6.379 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.384 6.733 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.207 8.724 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.777 8.738 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.370 8.033 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.761 7.728 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.181 9.994 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.450 10.486 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.205 10.042 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.870 9.365 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.148 11.640 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.831 11.531 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.187 12.187 2.946 1.00 0.00 H new ATOM 621 N ILE A 42 -3.778 5.434 3.782 1.00 0.00 N ATOM 622 CA ILE A 42 -3.937 4.623 2.582 1.00 0.00 C ATOM 623 C ILE A 42 -4.601 3.288 2.904 1.00 0.00 C ATOM 624 O ILE A 42 -5.471 2.823 2.169 1.00 0.00 O ATOM 625 CB ILE A 42 -2.582 4.358 1.898 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.842 5.675 1.657 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.787 3.612 0.588 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.535 5.506 0.915 1.00 0.00 C ATOM 0 H ILE A 42 -2.810 5.569 4.075 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.574 5.188 1.902 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.975 3.737 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.487 6.347 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.647 6.154 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.821 3.432 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.278 2.659 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.410 4.210 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.065 6.480 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.129 4.860 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.725 5.056 -0.059 1.00 0.00 H new ATOM 640 N MET A 43 -4.184 2.678 4.008 1.00 0.00 N ATOM 641 CA MET A 43 -4.740 1.398 4.430 1.00 0.00 C ATOM 642 C MET A 43 -6.236 1.519 4.704 1.00 0.00 C ATOM 643 O MET A 43 -7.042 0.780 4.139 1.00 0.00 O ATOM 644 CB MET A 43 -4.020 0.891 5.681 1.00 0.00 C ATOM 645 CG MET A 43 -2.752 0.109 5.377 1.00 0.00 C ATOM 646 SD MET A 43 -2.080 -0.716 6.833 1.00 0.00 S ATOM 647 CE MET A 43 -0.814 0.449 7.328 1.00 0.00 C ATOM 0 H MET A 43 -3.463 3.049 4.627 1.00 0.00 H new ATOM 0 HA MET A 43 -4.593 0.683 3.621 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.770 1.741 6.316 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.700 0.257 6.250 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.963 -0.634 4.608 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.001 0.786 4.969 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.517 0.248 8.357 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.052 0.345 6.674 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.205 1.464 7.255 1.00 0.00 H new ATOM 657 N ASP A 44 -6.599 2.454 5.575 1.00 0.00 N ATOM 658 CA ASP A 44 -7.998 2.672 5.924 1.00 0.00 C ATOM 659 C ASP A 44 -8.813 3.049 4.691 1.00 0.00 C ATOM 660 O ASP A 44 -9.984 2.690 4.576 1.00 0.00 O ATOM 661 CB ASP A 44 -8.117 3.769 6.983 1.00 0.00 C ATOM 662 CG ASP A 44 -7.995 3.227 8.394 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.693 2.242 8.714 1.00 0.00 O ATOM 664 OD2 ASP A 44 -7.200 3.787 9.178 1.00 0.00 O ATOM 0 H ASP A 44 -5.944 3.073 6.052 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.395 1.741 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.342 4.517 6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.077 4.274 6.873 1.00 0.00 H new ATOM 669 N GLU A 45 -8.185 3.776 3.772 1.00 0.00 N ATOM 670 CA GLU A 45 -8.854 4.203 2.548 1.00 0.00 C ATOM 671 C GLU A 45 -9.505 3.017 1.842 1.00 0.00 C ATOM 672 O GLU A 45 -10.704 3.027 1.566 1.00 0.00 O ATOM 673 CB GLU A 45 -7.858 4.886 1.608 1.00 0.00 C ATOM 674 CG GLU A 45 -8.460 5.288 0.272 1.00 0.00 C ATOM 675 CD GLU A 45 -7.553 6.208 -0.523 1.00 0.00 C ATOM 676 OE1 GLU A 45 -6.320 6.118 -0.350 1.00 0.00 O ATOM 677 OE2 GLU A 45 -8.077 7.017 -1.317 1.00 0.00 O ATOM 0 H GLU A 45 -7.215 4.081 3.852 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.634 4.915 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.458 5.773 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.018 4.214 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.666 4.392 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.415 5.784 0.443 1.00 0.00 H new ATOM 684 N PHE A 46 -8.704 1.996 1.552 1.00 0.00 N ATOM 685 CA PHE A 46 -9.201 0.803 0.877 1.00 0.00 C ATOM 686 C PHE A 46 -9.408 -0.337 1.869 1.00 0.00 C ATOM 687 O PHE A 46 -9.745 -1.457 1.485 1.00 0.00 O ATOM 688 CB PHE A 46 -8.227 0.369 -0.221 1.00 0.00 C ATOM 689 CG PHE A 46 -7.738 1.506 -1.072 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.615 2.230 -0.705 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.402 1.851 -2.238 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.162 3.277 -1.487 1.00 0.00 C ATOM 693 CE2 PHE A 46 -7.953 2.896 -3.024 1.00 0.00 C ATOM 694 CZ PHE A 46 -6.833 3.611 -2.647 1.00 0.00 C ATOM 0 H PHE A 46 -7.709 1.971 1.774 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.162 1.046 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.371 -0.125 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.716 -0.368 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.087 1.974 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.280 1.297 -2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.285 3.833 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.478 3.153 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.483 4.430 -3.258 1.00 0.00 H new ATOM 704 N LYS A 47 -9.202 -0.045 3.149 1.00 0.00 N ATOM 705 CA LYS A 47 -9.366 -1.043 4.198 1.00 0.00 C ATOM 706 C LYS A 47 -8.456 -2.243 3.955 1.00 0.00 C ATOM 707 O LYS A 47 -8.872 -3.391 4.108 1.00 0.00 O ATOM 708 CB LYS A 47 -10.824 -1.502 4.272 1.00 0.00 C ATOM 709 CG LYS A 47 -11.813 -0.360 4.430 1.00 0.00 C ATOM 710 CD LYS A 47 -11.924 0.085 5.879 1.00 0.00 C ATOM 711 CE LYS A 47 -13.026 1.117 6.062 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.755 2.018 7.216 1.00 0.00 N ATOM 0 H LYS A 47 -8.921 0.876 3.485 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.088 -0.584 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.067 -2.060 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.938 -2.189 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.500 0.482 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.792 -0.673 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.125 -0.779 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.973 0.505 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.123 1.710 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.978 0.609 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.529 2.707 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.688 1.455 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.859 2.522 7.060 1.00 0.00 H new ATOM 726 N VAL A 48 -7.211 -1.969 3.576 1.00 0.00 N ATOM 727 CA VAL A 48 -6.242 -3.026 3.313 1.00 0.00 C ATOM 728 C VAL A 48 -5.110 -2.999 4.334 1.00 0.00 C ATOM 729 O VAL A 48 -5.046 -2.109 5.182 1.00 0.00 O ATOM 730 CB VAL A 48 -5.646 -2.902 1.899 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.732 -3.056 0.846 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.922 -1.573 1.740 1.00 0.00 C ATOM 0 H VAL A 48 -6.850 -1.024 3.444 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.777 -3.973 3.392 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.921 -3.704 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.292 -2.965 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.201 -4.035 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.483 -2.278 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.507 -1.503 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.624 -0.755 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.116 -1.508 2.471 1.00 0.00 H new ATOM 742 N ASP A 49 -4.219 -3.981 4.247 1.00 0.00 N ATOM 743 CA ASP A 49 -3.088 -4.070 5.163 1.00 0.00 C ATOM 744 C ASP A 49 -1.773 -4.162 4.394 1.00 0.00 C ATOM 745 O ASP A 49 -1.373 -5.241 3.956 1.00 0.00 O ATOM 746 CB ASP A 49 -3.241 -5.283 6.082 1.00 0.00 C ATOM 747 CG ASP A 49 -3.999 -4.953 7.353 1.00 0.00 C ATOM 748 OD1 ASP A 49 -5.245 -5.038 7.341 1.00 0.00 O ATOM 749 OD2 ASP A 49 -3.345 -4.612 8.361 1.00 0.00 O ATOM 0 H ASP A 49 -4.258 -4.726 3.552 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.072 -3.165 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.762 -6.077 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.254 -5.667 6.340 1.00 0.00 H new ATOM 754 N ILE A 50 -1.107 -3.023 4.234 1.00 0.00 N ATOM 755 CA ILE A 50 0.162 -2.976 3.518 1.00 0.00 C ATOM 756 C ILE A 50 1.313 -3.430 4.410 1.00 0.00 C ATOM 757 O ILE A 50 1.503 -2.909 5.509 1.00 0.00 O ATOM 758 CB ILE A 50 0.461 -1.559 2.995 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.641 -1.101 2.039 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.817 -1.523 2.306 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.553 0.363 1.670 1.00 0.00 C ATOM 0 H ILE A 50 -1.425 -2.122 4.590 1.00 0.00 H new ATOM 0 HA ILE A 50 0.072 -3.656 2.671 1.00 0.00 H new ATOM 0 HB ILE A 50 0.488 -0.874 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.593 -1.700 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.611 -1.294 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.013 -0.515 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.593 -1.810 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.817 -2.218 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.366 0.616 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.631 0.971 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.402 0.559 1.183 1.00 0.00 H new ATOM 773 N ARG A 51 2.079 -4.403 3.928 1.00 0.00 N ATOM 774 CA ARG A 51 3.213 -4.927 4.680 1.00 0.00 C ATOM 775 C ARG A 51 4.521 -4.687 3.932 1.00 0.00 C ATOM 776 O ARG A 51 4.850 -5.406 2.989 1.00 0.00 O ATOM 777 CB ARG A 51 3.030 -6.424 4.942 1.00 0.00 C ATOM 778 CG ARG A 51 3.936 -6.965 6.036 1.00 0.00 C ATOM 779 CD ARG A 51 3.412 -6.612 7.419 1.00 0.00 C ATOM 780 NE ARG A 51 3.927 -7.512 8.447 1.00 0.00 N ATOM 781 CZ ARG A 51 5.164 -7.449 8.926 1.00 0.00 C ATOM 782 NH1 ARG A 51 6.008 -6.531 8.474 1.00 0.00 N ATOM 783 NH2 ARG A 51 5.560 -8.304 9.861 1.00 0.00 N ATOM 0 H ARG A 51 1.935 -4.845 3.020 1.00 0.00 H new ATOM 0 HA ARG A 51 3.259 -4.400 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.992 -6.612 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.221 -6.972 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.016 -8.048 5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.940 -6.560 5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.692 -5.587 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.323 -6.652 7.415 1.00 0.00 H new ATOM 0 HE ARG A 51 3.302 -8.228 8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.708 -5.871 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.957 -6.485 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.914 -9.011 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.510 -8.254 10.228 1.00 0.00 H new ATOM 797 N PHE A 52 5.262 -3.670 4.359 1.00 0.00 N ATOM 798 CA PHE A 52 6.533 -3.332 3.729 1.00 0.00 C ATOM 799 C PHE A 52 7.589 -4.390 4.035 1.00 0.00 C ATOM 800 O PHE A 52 7.568 -5.040 5.081 1.00 0.00 O ATOM 801 CB PHE A 52 7.015 -1.961 4.205 1.00 0.00 C ATOM 802 CG PHE A 52 6.339 -0.813 3.511 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.734 -0.425 2.241 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.309 -0.122 4.129 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.113 0.630 1.599 1.00 0.00 C ATOM 806 CE2 PHE A 52 4.684 0.933 3.492 1.00 0.00 C ATOM 807 CZ PHE A 52 5.088 1.311 2.226 1.00 0.00 C ATOM 0 H PHE A 52 5.004 -3.065 5.139 1.00 0.00 H new ATOM 0 HA PHE A 52 6.378 -3.299 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.844 -1.877 5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.091 -1.888 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.536 -0.953 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.991 -0.411 5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.429 0.921 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.880 1.462 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.603 2.137 1.728 1.00 0.00 H new ATOM 817 N PRO A 53 8.536 -4.568 3.102 1.00 0.00 N ATOM 818 CA PRO A 53 9.618 -5.546 3.248 1.00 0.00 C ATOM 819 C PRO A 53 10.619 -5.145 4.327 1.00 0.00 C ATOM 820 O PRO A 53 11.153 -4.036 4.309 1.00 0.00 O ATOM 821 CB PRO A 53 10.287 -5.544 1.871 1.00 0.00 C ATOM 822 CG PRO A 53 9.980 -4.202 1.303 1.00 0.00 C ATOM 823 CD PRO A 53 8.622 -3.829 1.831 1.00 0.00 C ATOM 0 HA PRO A 53 9.245 -6.524 3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.362 -5.703 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.895 -6.341 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.730 -3.470 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.981 -4.230 0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.532 -2.754 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.829 -4.120 1.142 1.00 0.00 H new ATOM 831 N GLN A 54 10.869 -6.054 5.264 1.00 0.00 N ATOM 832 CA GLN A 54 11.806 -5.793 6.350 1.00 0.00 C ATOM 833 C GLN A 54 13.246 -5.840 5.850 1.00 0.00 C ATOM 834 O GLN A 54 13.511 -6.288 4.734 1.00 0.00 O ATOM 835 CB GLN A 54 11.611 -6.811 7.475 1.00 0.00 C ATOM 836 CG GLN A 54 11.845 -8.249 7.041 1.00 0.00 C ATOM 837 CD GLN A 54 11.354 -9.255 8.064 1.00 0.00 C ATOM 838 OE1 GLN A 54 11.985 -9.462 9.101 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.221 -9.886 7.778 1.00 0.00 N ATOM 0 H GLN A 54 10.436 -6.977 5.293 1.00 0.00 H new ATOM 0 HA GLN A 54 11.607 -4.793 6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.291 -6.572 8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.598 -6.718 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.339 -8.425 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.910 -8.403 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.730 -9.684 6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.841 -10.573 8.429 1.00 0.00 H new ATOM 848 N SER A 55 14.171 -5.374 6.682 1.00 0.00 N ATOM 849 CA SER A 55 15.584 -5.359 6.322 1.00 0.00 C ATOM 850 C SER A 55 16.015 -6.708 5.754 1.00 0.00 C ATOM 851 O SER A 55 16.610 -6.780 4.680 1.00 0.00 O ATOM 852 CB SER A 55 16.439 -5.009 7.542 1.00 0.00 C ATOM 853 OG SER A 55 16.109 -3.727 8.046 1.00 0.00 O ATOM 0 H SER A 55 13.968 -5.002 7.610 1.00 0.00 H new ATOM 0 HA SER A 55 15.730 -4.599 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.291 -5.758 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.494 -5.036 7.270 1.00 0.00 H new ATOM 0 HG SER A 55 16.668 -3.528 8.826 1.00 0.00 H new ATOM 859 N GLY A 56 15.710 -7.775 6.486 1.00 0.00 N ATOM 860 CA GLY A 56 16.073 -9.108 6.041 1.00 0.00 C ATOM 861 C GLY A 56 15.055 -9.697 5.084 1.00 0.00 C ATOM 862 O GLY A 56 14.983 -10.913 4.915 1.00 0.00 O ATOM 0 H GLY A 56 15.218 -7.740 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.047 -9.072 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.174 -9.762 6.907 1.00 0.00 H new ATOM 866 N ALA A 57 14.264 -8.831 4.458 1.00 0.00 N ATOM 867 CA ALA A 57 13.246 -9.272 3.513 1.00 0.00 C ATOM 868 C ALA A 57 13.874 -9.711 2.194 1.00 0.00 C ATOM 869 O ALA A 57 14.898 -9.184 1.761 1.00 0.00 O ATOM 870 CB ALA A 57 12.232 -8.163 3.274 1.00 0.00 C ATOM 0 H ALA A 57 14.309 -7.820 4.589 1.00 0.00 H new ATOM 0 HA ALA A 57 12.733 -10.132 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.478 -8.506 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.752 -7.899 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.739 -7.288 2.868 1.00 0.00 H new ATOM 876 N PRO A 58 13.246 -10.699 1.539 1.00 0.00 N ATOM 877 CA PRO A 58 13.726 -11.230 0.260 1.00 0.00 C ATOM 878 C PRO A 58 13.557 -10.234 -0.882 1.00 0.00 C ATOM 879 O PRO A 58 14.292 -10.275 -1.869 1.00 0.00 O ATOM 880 CB PRO A 58 12.843 -12.459 0.032 1.00 0.00 C ATOM 881 CG PRO A 58 11.597 -12.177 0.798 1.00 0.00 C ATOM 882 CD PRO A 58 12.020 -11.374 1.996 1.00 0.00 C ATOM 0 HA PRO A 58 14.793 -11.453 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.632 -12.604 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.329 -13.367 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.882 -11.623 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.108 -13.102 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.253 -10.658 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.210 -12.011 2.860 1.00 0.00 H new ATOM 890 N ASP A 59 12.586 -9.339 -0.741 1.00 0.00 N ATOM 891 CA ASP A 59 12.321 -8.330 -1.760 1.00 0.00 C ATOM 892 C ASP A 59 12.144 -6.953 -1.128 1.00 0.00 C ATOM 893 O ASP A 59 11.039 -6.545 -0.770 1.00 0.00 O ATOM 894 CB ASP A 59 11.073 -8.701 -2.563 1.00 0.00 C ATOM 895 CG ASP A 59 11.313 -9.871 -3.497 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.315 -9.841 -4.241 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.497 -10.817 -3.485 1.00 0.00 O ATOM 0 H ASP A 59 11.969 -9.291 0.070 1.00 0.00 H new ATOM 0 HA ASP A 59 13.178 -8.294 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.263 -8.948 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.748 -7.837 -3.143 1.00 0.00 H new ATOM 902 N PRO A 60 13.257 -6.219 -0.987 1.00 0.00 N ATOM 903 CA PRO A 60 13.251 -4.876 -0.398 1.00 0.00 C ATOM 904 C PRO A 60 12.572 -3.851 -1.299 1.00 0.00 C ATOM 905 O PRO A 60 12.470 -2.675 -0.951 1.00 0.00 O ATOM 906 CB PRO A 60 14.738 -4.550 -0.242 1.00 0.00 C ATOM 907 CG PRO A 60 15.418 -5.380 -1.275 1.00 0.00 C ATOM 908 CD PRO A 60 14.608 -6.642 -1.392 1.00 0.00 C ATOM 0 HA PRO A 60 12.694 -4.844 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.929 -3.488 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.094 -4.794 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.463 -4.855 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.445 -5.601 -0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.618 -7.033 -2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.994 -7.429 -0.744 1.00 0.00 H new ATOM 916 N ASN A 61 12.108 -4.305 -2.459 1.00 0.00 N ATOM 917 CA ASN A 61 11.438 -3.425 -3.410 1.00 0.00 C ATOM 918 C ASN A 61 10.004 -3.885 -3.659 1.00 0.00 C ATOM 919 O ASN A 61 9.336 -3.399 -4.573 1.00 0.00 O ATOM 920 CB ASN A 61 12.210 -3.387 -4.731 1.00 0.00 C ATOM 921 CG ASN A 61 12.851 -4.720 -5.065 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.194 -5.761 -5.041 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.141 -4.693 -5.379 1.00 0.00 N ATOM 0 H ASN A 61 12.183 -5.276 -2.763 1.00 0.00 H new ATOM 0 HA ASN A 61 11.410 -2.422 -2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.533 -3.101 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.982 -2.620 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.627 -5.559 -5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.646 -3.807 -5.386 1.00 0.00 H new ATOM 930 N CYS A 62 9.539 -4.822 -2.841 1.00 0.00 N ATOM 931 CA CYS A 62 8.184 -5.347 -2.972 1.00 0.00 C ATOM 932 C CYS A 62 7.446 -5.285 -1.639 1.00 0.00 C ATOM 933 O CYS A 62 8.024 -5.549 -0.585 1.00 0.00 O ATOM 934 CB CYS A 62 8.221 -6.788 -3.482 1.00 0.00 C ATOM 935 SG CYS A 62 6.652 -7.369 -4.168 1.00 0.00 S ATOM 0 H CYS A 62 10.079 -5.234 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 62 7.648 -4.728 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.993 -6.872 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.512 -7.445 -2.662 1.00 0.00 H new ATOM 0 HG CYS A 62 6.784 -8.597 -4.575 1.00 0.00 H new ATOM 941 N VAL A 63 6.165 -4.934 -1.694 1.00 0.00 N ATOM 942 CA VAL A 63 5.347 -4.837 -0.491 1.00 0.00 C ATOM 943 C VAL A 63 4.142 -5.767 -0.569 1.00 0.00 C ATOM 944 O VAL A 63 3.451 -5.822 -1.587 1.00 0.00 O ATOM 945 CB VAL A 63 4.856 -3.395 -0.261 1.00 0.00 C ATOM 946 CG1 VAL A 63 6.025 -2.423 -0.279 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.818 -3.014 -1.307 1.00 0.00 C ATOM 0 H VAL A 63 5.672 -4.712 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 63 5.978 -5.136 0.346 1.00 0.00 H new ATOM 0 HB VAL A 63 4.386 -3.341 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.658 -1.410 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.729 -2.686 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.527 -2.475 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.481 -1.992 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.260 -3.084 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.968 -3.693 -1.240 1.00 0.00 H new ATOM 957 N THR A 64 3.893 -6.497 0.513 1.00 0.00 N ATOM 958 CA THR A 64 2.771 -7.425 0.568 1.00 0.00 C ATOM 959 C THR A 64 1.525 -6.750 1.129 1.00 0.00 C ATOM 960 O THR A 64 1.482 -6.382 2.303 1.00 0.00 O ATOM 961 CB THR A 64 3.104 -8.659 1.428 1.00 0.00 C ATOM 962 OG1 THR A 64 4.083 -9.468 0.766 1.00 0.00 O ATOM 963 CG2 THR A 64 1.855 -9.485 1.696 1.00 0.00 C ATOM 0 H THR A 64 4.454 -6.463 1.364 1.00 0.00 H new ATOM 0 HA THR A 64 2.577 -7.746 -0.455 1.00 0.00 H new ATOM 0 HB THR A 64 3.503 -8.313 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.290 -10.249 1.320 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.115 -10.351 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.123 -8.876 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.431 -9.821 0.750 1.00 0.00 H new ATOM 971 N VAL A 65 0.512 -6.591 0.283 1.00 0.00 N ATOM 972 CA VAL A 65 -0.737 -5.962 0.696 1.00 0.00 C ATOM 973 C VAL A 65 -1.841 -6.997 0.877 1.00 0.00 C ATOM 974 O VAL A 65 -2.060 -7.846 0.012 1.00 0.00 O ATOM 975 CB VAL A 65 -1.199 -4.908 -0.328 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.516 -4.282 0.107 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.129 -3.843 -0.516 1.00 0.00 C ATOM 0 H VAL A 65 0.532 -6.889 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.544 -5.472 1.650 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.359 -5.403 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.827 -3.540 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.279 -5.057 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.387 -3.800 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.472 -3.107 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.065 -3.350 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.788 -4.308 -0.877 1.00 0.00 H new ATOM 987 N THR A 66 -2.537 -6.921 2.007 1.00 0.00 N ATOM 988 CA THR A 66 -3.618 -7.852 2.303 1.00 0.00 C ATOM 989 C THR A 66 -4.978 -7.181 2.151 1.00 0.00 C ATOM 990 O THR A 66 -5.089 -5.958 2.224 1.00 0.00 O ATOM 991 CB THR A 66 -3.496 -8.421 3.729 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.119 -8.642 4.052 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.268 -9.725 3.860 1.00 0.00 C ATOM 0 H THR A 66 -2.371 -6.224 2.733 1.00 0.00 H new ATOM 0 HA THR A 66 -3.536 -8.669 1.586 1.00 0.00 H new ATOM 0 HB THR A 66 -3.920 -7.695 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.050 -9.002 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.167 -10.107 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.321 -9.548 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.870 -10.456 3.156 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.012 -7.989 1.939 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.352 -7.455 1.781 1.00 0.00 C ATOM 1003 C GLY A 67 -8.058 -8.011 0.560 1.00 0.00 C ATOM 1004 O GLY A 67 -7.431 -8.633 -0.299 1.00 0.00 O ATOM 0 H GLY A 67 -5.945 -9.005 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.938 -7.684 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.300 -6.369 1.704 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.366 -7.791 0.483 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.159 -8.277 -0.641 1.00 0.00 C ATOM 1010 C LEU A 68 -9.471 -7.966 -1.967 1.00 0.00 C ATOM 1011 O LEU A 68 -8.698 -7.015 -2.085 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.553 -7.648 -0.616 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.507 -8.173 0.457 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.790 -9.652 0.242 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.932 -7.934 1.845 1.00 0.00 C ATOM 0 H LEU A 68 -9.900 -7.279 1.185 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.254 -9.359 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.442 -6.572 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.016 -7.800 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.448 -7.629 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.471 -10.008 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.246 -9.797 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.857 -10.212 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.625 -8.314 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.977 -8.451 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.782 -6.865 1.998 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.760 -8.784 -2.989 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.183 -8.615 -4.326 1.00 0.00 C ATOM 1029 C PRO A 69 -9.719 -7.377 -5.037 1.00 0.00 C ATOM 1030 O PRO A 69 -9.110 -6.883 -5.985 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.616 -9.885 -5.063 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.854 -10.327 -4.361 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.674 -9.937 -2.920 1.00 0.00 C ATOM 0 HA PRO A 69 -8.103 -8.475 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.809 -9.685 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.842 -10.651 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.736 -9.849 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.995 -11.403 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.623 -9.670 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.249 -10.752 -2.333 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.862 -6.882 -4.572 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.480 -5.702 -5.165 1.00 0.00 C ATOM 1043 C GLU A 70 -10.938 -4.426 -4.527 1.00 0.00 C ATOM 1044 O GLU A 70 -10.860 -3.382 -5.173 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.000 -5.760 -5.005 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.461 -5.741 -3.557 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.852 -6.318 -3.380 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.754 -5.940 -4.158 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.040 -7.146 -2.465 1.00 0.00 O ATOM 0 H GLU A 70 -11.378 -7.280 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.235 -5.689 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.445 -4.915 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.373 -6.665 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.757 -6.307 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.448 -4.715 -3.189 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.565 -4.520 -3.255 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.032 -3.373 -2.529 1.00 0.00 C ATOM 1058 C ASN A 71 -8.527 -3.246 -2.743 1.00 0.00 C ATOM 1059 O ASN A 71 -8.006 -2.146 -2.931 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.336 -3.503 -1.035 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.760 -3.104 -0.698 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.291 -2.137 -1.244 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.386 -3.850 0.205 1.00 0.00 N ATOM 0 H ASN A 71 -10.622 -5.378 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.514 -2.474 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.166 -4.533 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.643 -2.879 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.346 -3.630 0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.907 -4.643 0.632 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.832 -4.379 -2.714 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.387 -4.395 -2.906 1.00 0.00 C ATOM 1072 C VAL A 72 -6.004 -3.776 -4.246 1.00 0.00 C ATOM 1073 O VAL A 72 -5.192 -2.853 -4.304 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.828 -5.828 -2.838 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.415 -5.878 -3.399 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.860 -6.345 -1.407 1.00 0.00 C ATOM 0 H VAL A 72 -8.247 -5.298 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.954 -3.805 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.459 -6.474 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.037 -6.899 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.425 -5.552 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.769 -5.219 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.461 -7.359 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.254 -5.698 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.888 -6.349 -1.044 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.595 -4.289 -5.320 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.315 -3.786 -6.659 1.00 0.00 C ATOM 1088 C GLU A 73 -6.316 -2.260 -6.678 1.00 0.00 C ATOM 1089 O GLU A 73 -5.408 -1.636 -7.226 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.348 -4.320 -7.655 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.693 -3.619 -7.571 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.700 -4.169 -8.563 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.351 -4.291 -9.756 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.837 -4.476 -8.147 1.00 0.00 O ATOM 0 H GLU A 73 -7.271 -5.053 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.325 -4.135 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.955 -4.213 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.492 -5.386 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.090 -3.722 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.555 -2.553 -7.752 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.343 -1.667 -6.077 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.462 -0.215 -6.026 1.00 0.00 C ATOM 1103 C GLU A 74 -6.294 0.401 -5.261 1.00 0.00 C ATOM 1104 O GLU A 74 -5.729 1.412 -5.678 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.784 0.188 -5.370 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.010 -0.339 -6.097 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.058 0.096 -7.549 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.408 -0.561 -8.388 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -10.748 1.094 -7.846 1.00 0.00 O ATOM 0 H GLU A 74 -8.104 -2.169 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.442 0.161 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.796 -0.177 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.840 1.276 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.017 -1.428 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.908 0.010 -5.587 1.00 0.00 H new ATOM 1116 N ALA A 75 -5.938 -0.216 -4.140 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.836 0.269 -3.317 1.00 0.00 C ATOM 1118 C ALA A 75 -3.544 0.350 -4.122 1.00 0.00 C ATOM 1119 O ALA A 75 -2.819 1.343 -4.052 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.649 -0.629 -2.103 1.00 0.00 C ATOM 0 H ALA A 75 -6.396 -1.053 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.084 1.274 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.823 -0.255 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.563 -0.632 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.427 -1.644 -2.432 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.261 -0.700 -4.885 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.056 -0.747 -5.704 1.00 0.00 C ATOM 1128 C ILE A 76 -1.956 0.479 -6.605 1.00 0.00 C ATOM 1129 O ILE A 76 -0.989 1.238 -6.533 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.016 -2.015 -6.576 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.026 -3.266 -5.695 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.788 -2.003 -7.473 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.455 -4.518 -6.428 1.00 0.00 C ATOM 0 H ILE A 76 -3.850 -1.530 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.209 -0.762 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.904 -2.031 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.028 -3.419 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.696 -3.101 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.774 -2.906 -8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.820 -1.127 -8.121 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.111 -1.967 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.439 -5.365 -5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.465 -4.385 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.771 -4.708 -7.255 1.00 0.00 H new ATOM 1145 N ASP A 77 -2.962 0.668 -7.452 1.00 0.00 N ATOM 1146 CA ASP A 77 -2.989 1.804 -8.366 1.00 0.00 C ATOM 1147 C ASP A 77 -2.628 3.095 -7.638 1.00 0.00 C ATOM 1148 O ASP A 77 -1.972 3.973 -8.200 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.371 1.935 -9.009 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.341 2.757 -10.283 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.687 3.820 -10.287 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.972 2.336 -11.275 1.00 0.00 O ATOM 0 H ASP A 77 -3.770 0.049 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.249 1.629 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.761 0.942 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.057 2.396 -8.298 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.062 3.205 -6.387 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.785 4.390 -5.583 1.00 0.00 C ATOM 1159 C HIS A 78 -1.329 4.408 -5.126 1.00 0.00 C ATOM 1160 O HIS A 78 -0.729 5.473 -4.975 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.713 4.437 -4.369 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.375 5.526 -3.398 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.185 6.621 -3.182 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.307 5.684 -2.581 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.629 7.406 -2.276 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.489 6.859 -1.895 1.00 0.00 N ATOM 0 H HIS A 78 -3.607 2.488 -5.908 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.964 5.269 -6.202 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.739 4.572 -4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.673 3.477 -3.854 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.075 6.797 -3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.468 5.011 -2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.037 8.336 -1.910 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.768 3.224 -4.906 1.00 0.00 N ATOM 1175 CA ILE A 79 0.616 3.104 -4.466 1.00 0.00 C ATOM 1176 C ILE A 79 1.581 3.541 -5.563 1.00 0.00 C ATOM 1177 O ILE A 79 2.398 4.441 -5.364 1.00 0.00 O ATOM 1178 CB ILE A 79 0.952 1.660 -4.049 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.137 1.260 -2.817 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.442 1.521 -3.774 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.161 -0.226 -2.534 1.00 0.00 C ATOM 0 H ILE A 79 -1.251 2.334 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 79 0.730 3.759 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 79 0.690 0.990 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.522 1.794 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.896 1.579 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.664 0.495 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.003 1.770 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.728 2.198 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.437 -0.437 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.251 -0.765 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.189 -0.547 -2.364 1.00 0.00 H new ATOM 1193 N LEU A 80 1.480 2.900 -6.722 1.00 0.00 N ATOM 1194 CA LEU A 80 2.342 3.224 -7.854 1.00 0.00 C ATOM 1195 C LEU A 80 2.235 4.703 -8.214 1.00 0.00 C ATOM 1196 O LEU A 80 3.205 5.314 -8.659 1.00 0.00 O ATOM 1197 CB LEU A 80 1.973 2.365 -9.064 1.00 0.00 C ATOM 1198 CG LEU A 80 2.692 1.019 -9.176 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.912 0.071 -10.073 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.106 1.213 -9.702 1.00 0.00 C ATOM 0 H LEU A 80 0.810 2.153 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 80 3.372 3.012 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.899 2.180 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.176 2.939 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 80 2.753 0.577 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.438 -0.881 -10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.919 -0.092 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.819 0.506 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.603 0.246 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.067 1.677 -10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.663 1.856 -9.020 1.00 0.00 H new ATOM 1212 N ASN A 81 1.050 5.270 -8.017 1.00 0.00 N ATOM 1213 CA ASN A 81 0.817 6.678 -8.319 1.00 0.00 C ATOM 1214 C ASN A 81 1.774 7.569 -7.534 1.00 0.00 C ATOM 1215 O ASN A 81 2.374 8.493 -8.086 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.630 7.057 -7.999 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.798 8.544 -7.754 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.015 9.358 -8.246 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.822 8.907 -6.990 1.00 0.00 N ATOM 0 H ASN A 81 0.236 4.777 -7.650 1.00 0.00 H new ATOM 0 HA ASN A 81 0.998 6.830 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.273 6.753 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.960 6.507 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.985 9.894 -6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.446 8.199 -6.603 1.00 0.00 H new ATOM 1226 N LEU A 82 1.913 7.286 -6.243 1.00 0.00 N ATOM 1227 CA LEU A 82 2.798 8.061 -5.381 1.00 0.00 C ATOM 1228 C LEU A 82 4.261 7.782 -5.711 1.00 0.00 C ATOM 1229 O LEU A 82 5.120 8.647 -5.542 1.00 0.00 O ATOM 1230 CB LEU A 82 2.523 7.736 -3.912 1.00 0.00 C ATOM 1231 CG LEU A 82 1.083 7.936 -3.437 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.937 7.513 -1.984 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.660 9.387 -3.618 1.00 0.00 C ATOM 0 H LEU A 82 1.424 6.526 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 82 2.601 9.119 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.803 6.698 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.176 8.354 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 82 0.429 7.309 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.094 7.662 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.199 6.460 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.601 8.113 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.367 9.512 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.318 10.033 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.726 9.656 -4.672 1.00 0.00 H new ATOM 1245 N GLU A 83 4.535 6.571 -6.184 1.00 0.00 N ATOM 1246 CA GLU A 83 5.894 6.180 -6.539 1.00 0.00 C ATOM 1247 C GLU A 83 6.490 7.147 -7.557 1.00 0.00 C ATOM 1248 O GLU A 83 7.539 7.744 -7.320 1.00 0.00 O ATOM 1249 CB GLU A 83 5.909 4.756 -7.101 1.00 0.00 C ATOM 1250 CG GLU A 83 7.307 4.208 -7.332 1.00 0.00 C ATOM 1251 CD GLU A 83 7.320 3.026 -8.283 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.674 2.004 -7.969 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.976 3.124 -9.341 1.00 0.00 O ATOM 0 H GLU A 83 3.835 5.844 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 83 6.502 6.212 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.379 4.097 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.361 4.740 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.942 4.999 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.737 3.906 -6.377 1.00 0.00 H new ATOM 1260 N GLU A 84 5.813 7.294 -8.692 1.00 0.00 N ATOM 1261 CA GLU A 84 6.276 8.187 -9.747 1.00 0.00 C ATOM 1262 C GLU A 84 6.433 9.612 -9.224 1.00 0.00 C ATOM 1263 O GLU A 84 7.529 10.171 -9.236 1.00 0.00 O ATOM 1264 CB GLU A 84 5.301 8.170 -10.926 1.00 0.00 C ATOM 1265 CG GLU A 84 5.408 6.922 -11.786 1.00 0.00 C ATOM 1266 CD GLU A 84 4.463 6.946 -12.971 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.391 7.577 -12.862 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.795 6.335 -14.007 1.00 0.00 O ATOM 0 H GLU A 84 4.943 6.806 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 84 7.250 7.833 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.283 8.253 -10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.481 9.047 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.432 6.820 -12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.196 6.045 -11.175 1.00 0.00 H new ATOM 1275 N GLU A 85 5.329 10.193 -8.765 1.00 0.00 N ATOM 1276 CA GLU A 85 5.343 11.553 -8.239 1.00 0.00 C ATOM 1277 C GLU A 85 6.596 11.799 -7.404 1.00 0.00 C ATOM 1278 O GLU A 85 7.330 12.760 -7.634 1.00 0.00 O ATOM 1279 CB GLU A 85 4.094 11.810 -7.394 1.00 0.00 C ATOM 1280 CG GLU A 85 4.068 13.185 -6.748 1.00 0.00 C ATOM 1281 CD GLU A 85 3.869 14.299 -7.758 1.00 0.00 C ATOM 1282 OE1 GLU A 85 4.868 14.726 -8.374 1.00 0.00 O ATOM 1283 OE2 GLU A 85 2.715 14.745 -7.931 1.00 0.00 O ATOM 0 H GLU A 85 4.414 9.743 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 85 5.349 12.242 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.211 11.697 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.030 11.051 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.267 13.221 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.003 13.348 -6.212 1.00 0.00 H new ATOM 1290 N TYR A 86 6.833 10.926 -6.432 1.00 0.00 N ATOM 1291 CA TYR A 86 7.995 11.049 -5.559 1.00 0.00 C ATOM 1292 C TYR A 86 9.290 10.943 -6.358 1.00 0.00 C ATOM 1293 O TYR A 86 10.146 11.826 -6.295 1.00 0.00 O ATOM 1294 CB TYR A 86 7.961 9.971 -4.475 1.00 0.00 C ATOM 1295 CG TYR A 86 7.011 10.282 -3.340 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.000 11.535 -2.742 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.125 9.322 -2.868 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.134 11.824 -1.705 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.255 9.602 -1.832 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.263 10.854 -1.253 1.00 0.00 C ATOM 1301 OH TYR A 86 4.398 11.137 -0.221 1.00 0.00 O ATOM 0 H TYR A 86 6.236 10.125 -6.228 1.00 0.00 H new ATOM 0 HA TYR A 86 7.961 12.031 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.674 9.022 -4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.965 9.842 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.680 12.297 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.116 8.340 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.139 12.804 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.572 8.844 -1.477 1.00 0.00 H new ATOM 0 HH TYR A 86 3.853 10.347 -0.025 1.00 0.00 H new ATOM 1311 N LEU A 87 9.426 9.856 -7.110 1.00 0.00 N ATOM 1312 CA LEU A 87 10.616 9.633 -7.923 1.00 0.00 C ATOM 1313 C LEU A 87 11.005 10.899 -8.679 1.00 0.00 C ATOM 1314 O LEU A 87 12.165 11.311 -8.664 1.00 0.00 O ATOM 1315 CB LEU A 87 10.376 8.490 -8.911 1.00 0.00 C ATOM 1316 CG LEU A 87 10.604 7.077 -8.372 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.932 6.048 -9.268 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.092 6.788 -8.246 1.00 0.00 C ATOM 0 H LEU A 87 8.727 9.116 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 87 11.435 9.364 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.350 8.558 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.028 8.638 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 87 10.157 7.011 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.105 5.049 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.860 6.243 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.348 6.114 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.235 5.778 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.563 6.873 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.545 7.505 -7.561 1.00 0.00 H new ATOM 1330 N ALA A 88 10.028 11.514 -9.337 1.00 0.00 N ATOM 1331 CA ALA A 88 10.267 12.736 -10.094 1.00 0.00 C ATOM 1332 C ALA A 88 11.274 13.634 -9.384 1.00 0.00 C ATOM 1333 O ALA A 88 12.066 14.324 -10.026 1.00 0.00 O ATOM 1334 CB ALA A 88 8.960 13.481 -10.320 1.00 0.00 C ATOM 0 H ALA A 88 9.063 11.185 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 88 10.686 12.458 -11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.154 14.392 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.271 12.846 -10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.517 13.739 -9.358 1.00 0.00 H new ATOM 1340 N ASP A 89 11.239 13.620 -8.056 1.00 0.00 N ATOM 1341 CA ASP A 89 12.149 14.433 -7.258 1.00 0.00 C ATOM 1342 C ASP A 89 13.259 13.576 -6.658 1.00 0.00 C ATOM 1343 O ASP A 89 13.330 13.396 -5.442 1.00 0.00 O ATOM 1344 CB ASP A 89 11.384 15.150 -6.145 1.00 0.00 C ATOM 1345 CG ASP A 89 12.279 16.048 -5.313 1.00 0.00 C ATOM 1346 OD1 ASP A 89 12.542 17.190 -5.745 1.00 0.00 O ATOM 1347 OD2 ASP A 89 12.716 15.608 -4.229 1.00 0.00 O ATOM 0 H ASP A 89 10.590 13.054 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 89 12.602 15.176 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.583 15.746 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.913 14.411 -5.497 1.00 0.00 H new ATOM 1352 N SER A 90 14.123 13.048 -7.519 1.00 0.00 N ATOM 1353 CA SER A 90 15.227 12.205 -7.075 1.00 0.00 C ATOM 1354 C SER A 90 16.541 12.652 -7.710 1.00 0.00 C ATOM 1355 O SER A 90 16.882 12.236 -8.817 1.00 0.00 O ATOM 1356 CB SER A 90 14.951 10.741 -7.423 1.00 0.00 C ATOM 1357 OG SER A 90 14.873 10.556 -8.826 1.00 0.00 O ATOM 0 H SER A 90 14.080 13.189 -8.528 1.00 0.00 H new ATOM 0 HA SER A 90 15.314 12.303 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.741 10.111 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.017 10.423 -6.959 1.00 0.00 H new ATOM 0 HG SER A 90 15.485 11.178 -9.272 1.00 0.00 H new ATOM 1363 N GLY A 91 17.275 13.502 -6.999 1.00 0.00 N ATOM 1364 CA GLY A 91 18.543 13.992 -7.508 1.00 0.00 C ATOM 1365 C GLY A 91 19.725 13.483 -6.707 1.00 0.00 C ATOM 1366 O GLY A 91 19.640 13.279 -5.496 1.00 0.00 O ATOM 0 H GLY A 91 17.015 13.860 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.655 13.688 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.540 15.082 -7.493 1.00 0.00 H new ATOM 1370 N PRO A 92 20.859 13.268 -7.390 1.00 0.00 N ATOM 1371 CA PRO A 92 22.085 12.776 -6.754 1.00 0.00 C ATOM 1372 C PRO A 92 22.719 13.814 -5.836 1.00 0.00 C ATOM 1373 O PRO A 92 23.449 14.696 -6.290 1.00 0.00 O ATOM 1374 CB PRO A 92 23.005 12.478 -7.940 1.00 0.00 C ATOM 1375 CG PRO A 92 22.519 13.370 -9.030 1.00 0.00 C ATOM 1376 CD PRO A 92 21.033 13.490 -8.835 1.00 0.00 C ATOM 0 HA PRO A 92 21.895 11.912 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 92 24.047 12.684 -7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 92 22.948 11.429 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 92 23.000 14.347 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 92 22.752 12.952 -10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 92 20.666 14.471 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.490 12.751 -9.423 1.00 0.00 H new ATOM 1384 N SER A 93 22.437 13.705 -4.541 1.00 0.00 N ATOM 1385 CA SER A 93 22.978 14.637 -3.559 1.00 0.00 C ATOM 1386 C SER A 93 24.503 14.605 -3.562 1.00 0.00 C ATOM 1387 O SER A 93 25.114 13.641 -4.023 1.00 0.00 O ATOM 1388 CB SER A 93 22.452 14.302 -2.162 1.00 0.00 C ATOM 1389 OG SER A 93 22.900 13.024 -1.742 1.00 0.00 O ATOM 0 H SER A 93 21.837 12.980 -4.148 1.00 0.00 H new ATOM 0 HA SER A 93 22.653 15.641 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 93 22.786 15.059 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.362 14.326 -2.165 1.00 0.00 H new ATOM 0 HG SER A 93 22.552 12.834 -0.846 1.00 0.00 H new ATOM 1395 N SER A 94 25.112 15.667 -3.043 1.00 0.00 N ATOM 1396 CA SER A 94 26.566 15.763 -2.988 1.00 0.00 C ATOM 1397 C SER A 94 27.163 14.567 -2.253 1.00 0.00 C ATOM 1398 O SER A 94 28.097 13.929 -2.737 1.00 0.00 O ATOM 1399 CB SER A 94 26.986 17.062 -2.298 1.00 0.00 C ATOM 1400 OG SER A 94 28.368 17.314 -2.484 1.00 0.00 O ATOM 0 H SER A 94 24.621 16.472 -2.655 1.00 0.00 H new ATOM 0 HA SER A 94 26.944 15.764 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 94 26.405 17.894 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.765 17.000 -1.233 1.00 0.00 H new ATOM 0 HG SER A 94 28.611 18.150 -2.035 1.00 0.00 H new ATOM 1406 N GLY A 95 26.614 14.268 -1.079 1.00 0.00 N ATOM 1407 CA GLY A 95 27.104 13.149 -0.295 1.00 0.00 C ATOM 1408 C GLY A 95 26.082 12.652 0.708 1.00 0.00 C ATOM 1409 O GLY A 95 26.428 11.963 1.667 1.00 0.00 O ATOM 0 H GLY A 95 25.839 14.780 -0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 95 27.378 12.333 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 95 28.010 13.448 0.232 1.00 0.00 H new TER 1413 GLY A 95