USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 ASN : amide:sc= 0.618 K(o=0.62,f=-3.2!) USER MOD Set 2.1: A 18 SER OG : rot 30:sc= 0.15 USER MOD Set 2.2: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 6 THR OG1 : rot 72:sc= 0.809 USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0.711 USER MOD Single : A 1 ASN : amide:sc=-0.00193 X(o=-0.0019,f=-0.46) USER MOD Single : A 1 ASN N :NH3+ -156:sc= 1.2 (180deg=1.09) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 8 ASN : amide:sc= -0.836! C(o=-0.84!,f=-9.6!) USER MOD Single : A 9 MET CE :methyl -172:sc= 0 (180deg=-0.0876) USER MOD Single : A 12 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.2) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.577 K(o=-0.58,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.0441 K(o=0.044,f=-3.3!) USER MOD Single : A 32 TYR OH : rot -79:sc= 0.153 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0159) USER MOD Single : A 53 MET CE :methyl 152:sc= 0 (180deg=-0.465) USER MOD Single : A 56 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3.5!) USER MOD Single : A 58 ASN : amide:sc= 1.27 K(o=1.3,f=-7.2!) USER MOD Single : A 61 ASN : amide:sc= -1.02 K(o=-1,f=-6.6!) USER MOD Single : A 64 ASN : amide:sc= -0.046 K(o=-0.046,f=-0.59) USER MOD Single : A 65 MET CE :methyl -172:sc= -0.831 (180deg=-0.986) USER MOD Single : A 66 SER OG : rot -104:sc= 1.83 USER MOD Single : A 79 SER OG : rot 91:sc= 1.24 USER MOD Single : A 80 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.14) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 87 THR OG1 : rot 79:sc= 0.792 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 1.37! (180deg=1.18!) USER MOD Single : A 91 SUZ C1 :methyl -169:sc= -1.02 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.963 13.256 7.983 1.00 0.00 N ATOM 2 CA ASN A 1 3.602 13.070 8.535 1.00 0.00 C ATOM 3 C ASN A 1 3.060 11.707 8.146 1.00 0.00 C ATOM 4 O ASN A 1 2.773 11.454 6.981 1.00 0.00 O ATOM 5 CB ASN A 1 2.666 14.165 8.019 1.00 0.00 C ATOM 6 CG ASN A 1 1.254 14.031 8.553 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.040 13.550 9.666 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.278 14.460 7.766 1.00 0.00 N ATOM 0 H1 ASN A 1 5.476 13.959 8.553 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.474 12.351 8.007 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.896 13.590 7.000 1.00 0.00 H new ATOM 0 HA ASN A 1 3.658 13.134 9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.065 15.140 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.642 14.133 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.692 14.398 8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.497 14.852 6.850 1.00 0.00 H new ATOM 17 N ILE A 2 2.926 10.828 9.121 1.00 0.00 N ATOM 18 CA ILE A 2 2.423 9.486 8.871 1.00 0.00 C ATOM 19 C ILE A 2 0.939 9.392 9.209 1.00 0.00 C ATOM 20 O ILE A 2 0.518 9.739 10.314 1.00 0.00 O ATOM 21 CB ILE A 2 3.207 8.436 9.686 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.711 8.632 9.488 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.797 7.029 9.275 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.569 7.675 10.287 1.00 0.00 C ATOM 0 H ILE A 2 3.158 11.017 10.096 1.00 0.00 H new ATOM 0 HA ILE A 2 2.560 9.278 7.810 1.00 0.00 H new ATOM 0 HB ILE A 2 2.973 8.568 10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.945 8.516 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.973 9.654 9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.359 6.301 9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.731 6.893 9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.007 6.884 8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.622 7.880 10.091 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.366 7.805 11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.338 6.650 9.996 1.00 0.00 H new ATOM 36 N ILE A 3 0.153 8.926 8.253 1.00 0.00 N ATOM 37 CA ILE A 3 -1.284 8.792 8.443 1.00 0.00 C ATOM 38 C ILE A 3 -1.716 7.342 8.230 1.00 0.00 C ATOM 39 O ILE A 3 -1.328 6.711 7.244 1.00 0.00 O ATOM 40 CB ILE A 3 -2.075 9.705 7.480 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.546 11.140 7.548 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.562 9.673 7.815 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.180 12.069 6.536 1.00 0.00 C ATOM 0 H ILE A 3 0.486 8.633 7.334 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.504 9.097 9.466 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.940 9.333 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.719 11.535 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.467 11.128 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.104 10.322 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.934 8.653 7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.712 10.022 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.756 13.068 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.985 11.698 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.256 12.111 6.705 1.00 0.00 H new ATOM 55 N THR A 4 -2.497 6.815 9.162 1.00 0.00 N ATOM 56 CA THR A 4 -2.981 5.447 9.067 1.00 0.00 C ATOM 57 C THR A 4 -4.459 5.426 8.680 1.00 0.00 C ATOM 58 O THR A 4 -5.334 5.746 9.487 1.00 0.00 O ATOM 59 CB THR A 4 -2.778 4.692 10.394 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.478 4.993 10.928 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.912 3.193 10.181 1.00 0.00 C ATOM 0 H THR A 4 -2.809 7.316 9.994 1.00 0.00 H new ATOM 0 HA THR A 4 -2.403 4.944 8.292 1.00 0.00 H new ATOM 0 HB THR A 4 -3.544 5.013 11.100 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.352 4.513 11.773 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.765 2.676 11.129 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.906 2.968 9.795 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.161 2.859 9.466 1.00 0.00 H new ATOM 69 N VAL A 5 -4.731 5.058 7.439 1.00 0.00 N ATOM 70 CA VAL A 5 -6.096 5.006 6.944 1.00 0.00 C ATOM 71 C VAL A 5 -6.567 3.563 6.816 1.00 0.00 C ATOM 72 O VAL A 5 -5.755 2.645 6.715 1.00 0.00 O ATOM 73 CB VAL A 5 -6.226 5.700 5.568 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.607 7.089 5.596 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.591 4.857 4.472 1.00 0.00 C ATOM 0 H VAL A 5 -4.023 4.790 6.755 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.719 5.534 7.666 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.288 5.805 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.712 7.554 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.115 7.699 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.550 7.011 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.696 5.367 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.533 4.711 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.088 3.888 4.424 1.00 0.00 H new ATOM 85 N THR A 6 -7.871 3.359 6.835 1.00 0.00 N ATOM 86 CA THR A 6 -8.426 2.026 6.687 1.00 0.00 C ATOM 87 C THR A 6 -9.345 1.997 5.471 1.00 0.00 C ATOM 88 O THR A 6 -10.020 2.984 5.169 1.00 0.00 O ATOM 89 CB THR A 6 -9.174 1.560 7.964 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.040 0.139 8.114 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.654 1.935 7.930 1.00 0.00 C ATOM 0 H THR A 6 -8.565 4.098 6.951 1.00 0.00 H new ATOM 0 HA THR A 6 -7.604 1.325 6.538 1.00 0.00 H new ATOM 0 HB THR A 6 -8.722 2.070 8.815 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.120 -0.077 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.138 1.589 8.843 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.753 3.018 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.128 1.466 7.068 1.00 0.00 H new ATOM 99 N LEU A 7 -9.340 0.887 4.752 1.00 0.00 N ATOM 100 CA LEU A 7 -10.164 0.757 3.560 1.00 0.00 C ATOM 101 C LEU A 7 -11.231 -0.308 3.745 1.00 0.00 C ATOM 102 O LEU A 7 -10.963 -1.379 4.294 1.00 0.00 O ATOM 103 CB LEU A 7 -9.292 0.417 2.353 1.00 0.00 C ATOM 104 CG LEU A 7 -8.062 1.308 2.170 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.176 0.761 1.069 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.472 2.739 1.861 1.00 0.00 C ATOM 0 H LEU A 7 -8.777 0.065 4.971 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.661 1.711 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.962 -0.618 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.904 0.479 1.453 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.499 1.310 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.305 1.405 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.850 -0.246 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.735 0.730 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.581 3.354 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.059 2.759 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.070 3.132 2.683 1.00 0.00 H new ATOM 118 N ASN A 8 -12.437 -0.004 3.287 1.00 0.00 N ATOM 119 CA ASN A 8 -13.548 -0.937 3.387 1.00 0.00 C ATOM 120 C ASN A 8 -13.528 -1.894 2.203 1.00 0.00 C ATOM 121 O ASN A 8 -13.824 -1.505 1.069 1.00 0.00 O ATOM 122 CB ASN A 8 -14.879 -0.184 3.439 1.00 0.00 C ATOM 123 CG ASN A 8 -16.075 -1.115 3.489 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.619 -1.503 2.455 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.490 -1.482 4.692 1.00 0.00 N ATOM 0 H ASN A 8 -12.670 0.884 2.842 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.443 -1.510 4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.891 0.464 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.962 0.461 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.289 -2.109 4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.011 -1.137 5.524 1.00 0.00 H new ATOM 132 N MET A 9 -13.182 -3.144 2.470 1.00 0.00 N ATOM 133 CA MET A 9 -13.098 -4.159 1.423 1.00 0.00 C ATOM 134 C MET A 9 -14.445 -4.831 1.191 1.00 0.00 C ATOM 135 O MET A 9 -14.537 -5.857 0.519 1.00 0.00 O ATOM 136 CB MET A 9 -12.039 -5.204 1.780 1.00 0.00 C ATOM 137 CG MET A 9 -10.625 -4.642 1.835 1.00 0.00 C ATOM 138 SD MET A 9 -10.157 -3.774 0.324 1.00 0.00 S ATOM 139 CE MET A 9 -10.062 -5.136 -0.834 1.00 0.00 C ATOM 0 H MET A 9 -12.954 -3.484 3.404 1.00 0.00 H new ATOM 0 HA MET A 9 -12.808 -3.661 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.285 -5.643 2.747 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.073 -6.009 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.543 -3.959 2.681 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.922 -5.456 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.646 -4.783 -1.778 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.422 -5.917 -0.425 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.060 -5.538 -1.005 1.00 0.00 H new ATOM 149 N GLU A 10 -15.491 -4.249 1.754 1.00 0.00 N ATOM 150 CA GLU A 10 -16.828 -4.781 1.591 1.00 0.00 C ATOM 151 C GLU A 10 -17.426 -4.273 0.287 1.00 0.00 C ATOM 152 O GLU A 10 -17.831 -5.058 -0.570 1.00 0.00 O ATOM 153 CB GLU A 10 -17.716 -4.377 2.765 1.00 0.00 C ATOM 154 CG GLU A 10 -17.323 -5.028 4.079 1.00 0.00 C ATOM 155 CD GLU A 10 -17.672 -6.501 4.127 1.00 0.00 C ATOM 156 OE1 GLU A 10 -18.869 -6.836 4.010 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.750 -7.332 4.282 1.00 0.00 O ATOM 0 H GLU A 10 -15.437 -3.407 2.328 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.770 -5.869 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.679 -3.294 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.749 -4.638 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.251 -4.907 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.823 -4.513 4.899 1.00 0.00 H new ATOM 164 N ARG A 11 -17.456 -2.955 0.137 1.00 0.00 N ATOM 165 CA ARG A 11 -18.015 -2.329 -1.056 1.00 0.00 C ATOM 166 C ARG A 11 -16.987 -2.248 -2.185 1.00 0.00 C ATOM 167 O ARG A 11 -17.341 -2.154 -3.360 1.00 0.00 O ATOM 168 CB ARG A 11 -18.528 -0.928 -0.714 1.00 0.00 C ATOM 169 CG ARG A 11 -19.423 -0.329 -1.787 1.00 0.00 C ATOM 170 CD ARG A 11 -19.781 1.117 -1.482 1.00 0.00 C ATOM 171 NE ARG A 11 -20.824 1.610 -2.378 1.00 0.00 N ATOM 172 CZ ARG A 11 -21.212 2.883 -2.447 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.626 3.805 -1.692 1.00 0.00 N ATOM 174 NH2 ARG A 11 -22.185 3.235 -3.278 1.00 0.00 N ATOM 0 H ARG A 11 -17.099 -2.296 0.829 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.842 -2.948 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.080 -0.971 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.676 -0.267 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.919 -0.383 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.335 -0.919 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.118 1.199 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.892 1.741 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.285 0.937 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.875 3.540 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.927 4.778 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.635 2.531 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.483 4.209 -3.331 1.00 0.00 H new ATOM 188 N HIS A 12 -15.714 -2.280 -1.831 1.00 0.00 N ATOM 189 CA HIS A 12 -14.654 -2.199 -2.826 1.00 0.00 C ATOM 190 C HIS A 12 -13.891 -3.512 -2.901 1.00 0.00 C ATOM 191 O HIS A 12 -13.633 -4.144 -1.882 1.00 0.00 O ATOM 192 CB HIS A 12 -13.695 -1.054 -2.499 1.00 0.00 C ATOM 193 CG HIS A 12 -14.276 0.302 -2.741 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.330 1.283 -1.775 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.831 0.840 -3.852 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.893 2.362 -2.283 1.00 0.00 C ATOM 197 NE2 HIS A 12 -15.207 2.120 -3.538 1.00 0.00 N ATOM 0 H HIS A 12 -15.388 -2.361 -0.868 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.113 -2.004 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.395 -1.130 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.792 -1.165 -3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.955 0.352 -4.807 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.067 3.289 -1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.657 2.778 -4.174 1.00 0.00 H new ATOM 206 N HIS A 13 -13.541 -3.924 -4.112 1.00 0.00 N ATOM 207 CA HIS A 13 -12.805 -5.168 -4.303 1.00 0.00 C ATOM 208 C HIS A 13 -11.323 -4.898 -4.524 1.00 0.00 C ATOM 209 O HIS A 13 -10.483 -5.760 -4.270 1.00 0.00 O ATOM 210 CB HIS A 13 -13.378 -5.960 -5.478 1.00 0.00 C ATOM 211 CG HIS A 13 -14.646 -6.682 -5.140 1.00 0.00 C ATOM 212 ND1 HIS A 13 -14.697 -8.034 -4.892 1.00 0.00 N ATOM 213 CD2 HIS A 13 -15.912 -6.227 -4.993 1.00 0.00 C ATOM 214 CE1 HIS A 13 -15.939 -8.380 -4.604 1.00 0.00 C ATOM 215 NE2 HIS A 13 -16.694 -7.301 -4.661 1.00 0.00 N ATOM 0 H HIS A 13 -13.753 -3.419 -4.973 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.914 -5.762 -3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.565 -5.280 -6.309 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.636 -6.682 -5.818 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.244 -5.207 -5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.278 -9.377 -4.363 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.698 -7.271 -4.486 1.00 0.00 H new ATOM 224 N PHE A 14 -11.007 -3.698 -4.988 1.00 0.00 N ATOM 225 CA PHE A 14 -9.627 -3.318 -5.238 1.00 0.00 C ATOM 226 C PHE A 14 -9.316 -1.969 -4.595 1.00 0.00 C ATOM 227 O PHE A 14 -10.210 -1.143 -4.378 1.00 0.00 O ATOM 228 CB PHE A 14 -9.327 -3.305 -6.747 1.00 0.00 C ATOM 229 CG PHE A 14 -9.821 -2.094 -7.498 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.159 -1.737 -7.482 1.00 0.00 C ATOM 231 CD2 PHE A 14 -8.939 -1.330 -8.239 1.00 0.00 C ATOM 232 CE1 PHE A 14 -11.604 -0.634 -8.187 1.00 0.00 C ATOM 233 CE2 PHE A 14 -9.377 -0.230 -8.949 1.00 0.00 C ATOM 234 CZ PHE A 14 -10.711 0.118 -8.925 1.00 0.00 C ATOM 0 H PHE A 14 -11.690 -2.970 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.976 -4.063 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.249 -3.382 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.770 -4.194 -7.195 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.862 -2.327 -6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.893 -1.597 -8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.649 -0.361 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.675 0.357 -9.523 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.057 0.976 -9.482 1.00 0.00 H new ATOM 244 N LEU A 15 -8.048 -1.755 -4.279 1.00 0.00 N ATOM 245 CA LEU A 15 -7.613 -0.521 -3.640 1.00 0.00 C ATOM 246 C LEU A 15 -7.440 0.601 -4.654 1.00 0.00 C ATOM 247 O LEU A 15 -7.758 1.757 -4.373 1.00 0.00 O ATOM 248 CB LEU A 15 -6.294 -0.745 -2.894 1.00 0.00 C ATOM 249 CG LEU A 15 -6.199 -2.046 -2.093 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.851 -2.141 -1.399 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.329 -2.140 -1.075 1.00 0.00 C ATOM 0 H LEU A 15 -7.298 -2.423 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.388 -0.227 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.480 -0.725 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.136 0.092 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.295 -2.882 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.798 -3.071 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.056 -2.124 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.731 -1.296 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.240 -3.073 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.268 -1.298 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.288 -2.116 -1.593 1.00 0.00 H new ATOM 263 N GLY A 16 -6.954 0.246 -5.832 1.00 0.00 N ATOM 264 CA GLY A 16 -6.727 1.219 -6.875 1.00 0.00 C ATOM 265 C GLY A 16 -5.469 2.031 -6.643 1.00 0.00 C ATOM 266 O GLY A 16 -5.507 3.253 -6.702 1.00 0.00 O ATOM 0 H GLY A 16 -6.710 -0.712 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.655 0.708 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.584 1.890 -6.935 1.00 0.00 H new ATOM 270 N ILE A 17 -4.353 1.353 -6.389 1.00 0.00 N ATOM 271 CA ILE A 17 -3.072 2.028 -6.143 1.00 0.00 C ATOM 272 C ILE A 17 -1.908 1.147 -6.573 1.00 0.00 C ATOM 273 O ILE A 17 -1.557 0.195 -5.881 1.00 0.00 O ATOM 274 CB ILE A 17 -2.869 2.394 -4.653 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.435 1.297 -3.744 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.501 3.740 -4.336 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.854 1.305 -2.344 1.00 0.00 C ATOM 0 H ILE A 17 -4.305 0.335 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.099 2.946 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.798 2.472 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.517 1.413 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.246 0.326 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.346 3.976 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.041 4.512 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.570 3.698 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.302 0.501 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.775 1.157 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.066 2.262 -1.867 1.00 0.00 H new ATOM 289 N SER A 18 -1.317 1.445 -7.720 1.00 0.00 N ATOM 290 CA SER A 18 -0.208 0.644 -8.208 1.00 0.00 C ATOM 291 C SER A 18 1.058 0.966 -7.423 1.00 0.00 C ATOM 292 O SER A 18 1.500 2.114 -7.374 1.00 0.00 O ATOM 293 CB SER A 18 -0.015 0.846 -9.716 1.00 0.00 C ATOM 294 OG SER A 18 0.273 2.201 -10.030 1.00 0.00 O ATOM 0 H SER A 18 -1.583 2.224 -8.322 1.00 0.00 H new ATOM 0 HA SER A 18 -0.436 -0.411 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.797 0.210 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.916 0.533 -10.244 1.00 0.00 H new ATOM 0 HG SER A 18 0.742 2.618 -9.278 1.00 0.00 H new ATOM 300 N ILE A 19 1.618 -0.058 -6.793 1.00 0.00 N ATOM 301 CA ILE A 19 2.813 0.094 -5.975 1.00 0.00 C ATOM 302 C ILE A 19 4.070 0.187 -6.831 1.00 0.00 C ATOM 303 O ILE A 19 4.276 -0.621 -7.739 1.00 0.00 O ATOM 304 CB ILE A 19 2.975 -1.086 -4.988 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.626 -1.484 -4.371 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.970 -0.726 -3.895 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.898 -0.340 -3.694 1.00 0.00 C ATOM 0 H ILE A 19 1.259 -1.012 -6.834 1.00 0.00 H new ATOM 0 HA ILE A 19 2.688 1.022 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 19 3.355 -1.942 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.988 -1.896 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.791 -2.278 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.074 -1.565 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.938 -0.502 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.612 0.147 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.045 -0.701 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.515 0.058 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.699 0.447 -4.422 1.00 0.00 H new ATOM 319 N VAL A 20 4.894 1.182 -6.536 1.00 0.00 N ATOM 320 CA VAL A 20 6.149 1.386 -7.243 1.00 0.00 C ATOM 321 C VAL A 20 7.320 1.145 -6.295 1.00 0.00 C ATOM 322 O VAL A 20 7.415 1.779 -5.242 1.00 0.00 O ATOM 323 CB VAL A 20 6.249 2.814 -7.834 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.642 3.070 -8.397 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.203 3.020 -8.919 1.00 0.00 C ATOM 0 H VAL A 20 4.712 1.868 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 20 6.184 0.676 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 20 6.063 3.525 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.689 4.079 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.380 2.966 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.854 2.348 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.290 4.029 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.360 2.296 -9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.208 2.883 -8.496 1.00 0.00 H new ATOM 335 N GLY A 21 8.190 0.217 -6.656 1.00 0.00 N ATOM 336 CA GLY A 21 9.331 -0.083 -5.819 1.00 0.00 C ATOM 337 C GLY A 21 10.519 0.793 -6.150 1.00 0.00 C ATOM 338 O GLY A 21 10.997 0.792 -7.284 1.00 0.00 O ATOM 0 H GLY A 21 8.127 -0.334 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.059 0.054 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.607 -1.130 -5.943 1.00 0.00 H new ATOM 342 N GLN A 22 10.988 1.559 -5.176 1.00 0.00 N ATOM 343 CA GLN A 22 12.127 2.434 -5.390 1.00 0.00 C ATOM 344 C GLN A 22 13.425 1.655 -5.232 1.00 0.00 C ATOM 345 O GLN A 22 13.740 1.163 -4.145 1.00 0.00 O ATOM 346 CB GLN A 22 12.093 3.613 -4.415 1.00 0.00 C ATOM 347 CG GLN A 22 13.102 4.701 -4.744 1.00 0.00 C ATOM 348 CD GLN A 22 12.969 5.923 -3.854 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.205 7.052 -4.291 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.604 5.712 -2.600 1.00 0.00 N ATOM 0 H GLN A 22 10.598 1.591 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 22 12.074 2.827 -6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.092 4.045 -4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.282 3.246 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.109 4.296 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.978 5.001 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.417 4.763 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.509 6.498 -1.957 1.00 0.00 H new ATOM 359 N SER A 23 14.164 1.523 -6.319 1.00 0.00 N ATOM 360 CA SER A 23 15.424 0.802 -6.296 1.00 0.00 C ATOM 361 C SER A 23 16.596 1.769 -6.406 1.00 0.00 C ATOM 362 O SER A 23 16.403 2.957 -6.672 1.00 0.00 O ATOM 363 CB SER A 23 15.460 -0.223 -7.426 1.00 0.00 C ATOM 364 OG SER A 23 14.273 -1.000 -7.424 1.00 0.00 O ATOM 0 H SER A 23 13.913 1.906 -7.230 1.00 0.00 H new ATOM 0 HA SER A 23 15.510 0.275 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.568 0.285 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.328 -0.872 -7.310 1.00 0.00 H new ATOM 0 HG SER A 23 14.308 -1.652 -8.154 1.00 0.00 H new ATOM 370 N ASN A 24 17.801 1.252 -6.197 1.00 0.00 N ATOM 371 CA ASN A 24 19.017 2.053 -6.258 1.00 0.00 C ATOM 372 C ASN A 24 20.222 1.133 -6.105 1.00 0.00 C ATOM 373 O ASN A 24 20.104 -0.080 -6.296 1.00 0.00 O ATOM 374 CB ASN A 24 19.017 3.108 -5.145 1.00 0.00 C ATOM 375 CG ASN A 24 19.730 4.389 -5.538 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.645 4.380 -6.361 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.329 5.498 -4.941 1.00 0.00 N ATOM 0 H ASN A 24 17.962 0.268 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 24 19.065 2.568 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.987 3.341 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.494 2.691 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.782 6.386 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.567 5.466 -4.264 1.00 0.00 H new ATOM 384 N ASP A 25 21.371 1.693 -5.758 1.00 0.00 N ATOM 385 CA ASP A 25 22.572 0.892 -5.572 1.00 0.00 C ATOM 386 C ASP A 25 22.404 -0.009 -4.356 1.00 0.00 C ATOM 387 O ASP A 25 22.884 -1.142 -4.334 1.00 0.00 O ATOM 388 CB ASP A 25 23.803 1.784 -5.423 1.00 0.00 C ATOM 389 CG ASP A 25 24.410 2.145 -6.763 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.098 1.290 -7.355 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.188 3.277 -7.239 1.00 0.00 O ATOM 0 H ASP A 25 21.497 2.693 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 25 22.721 0.269 -6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.528 2.696 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.549 1.274 -4.813 1.00 0.00 H new ATOM 396 N ARG A 26 21.715 0.505 -3.344 1.00 0.00 N ATOM 397 CA ARG A 26 21.450 -0.265 -2.137 1.00 0.00 C ATOM 398 C ARG A 26 20.234 -1.163 -2.366 1.00 0.00 C ATOM 399 O ARG A 26 20.328 -2.386 -2.284 1.00 0.00 O ATOM 400 CB ARG A 26 21.234 0.660 -0.934 1.00 0.00 C ATOM 401 CG ARG A 26 22.524 1.268 -0.397 1.00 0.00 C ATOM 402 CD ARG A 26 23.424 0.212 0.230 1.00 0.00 C ATOM 403 NE ARG A 26 24.669 0.782 0.753 1.00 0.00 N ATOM 404 CZ ARG A 26 24.857 1.126 2.029 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.866 1.016 2.906 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.037 1.588 2.425 1.00 0.00 N ATOM 0 H ARG A 26 21.331 1.450 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 26 22.315 -0.890 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.555 1.463 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.746 0.099 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 26 23.057 1.766 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.286 2.031 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.888 -0.286 1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.660 -0.549 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 26 25.440 0.925 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.956 0.667 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.015 1.280 3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.800 1.680 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.181 1.851 3.400 1.00 0.00 H new ATOM 420 N GLY A 27 19.092 -0.551 -2.665 1.00 0.00 N ATOM 421 CA GLY A 27 17.891 -1.319 -2.935 1.00 0.00 C ATOM 422 C GLY A 27 16.780 -1.075 -1.933 1.00 0.00 C ATOM 423 O GLY A 27 15.604 -1.279 -2.245 1.00 0.00 O ATOM 0 H GLY A 27 18.977 0.461 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.529 -1.074 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.141 -2.380 -2.938 1.00 0.00 H new ATOM 427 N ASP A 28 17.147 -0.625 -0.739 1.00 0.00 N ATOM 428 CA ASP A 28 16.179 -0.355 0.329 1.00 0.00 C ATOM 429 C ASP A 28 15.485 0.991 0.130 1.00 0.00 C ATOM 430 O ASP A 28 15.365 1.790 1.061 1.00 0.00 O ATOM 431 CB ASP A 28 16.874 -0.386 1.696 1.00 0.00 C ATOM 432 CG ASP A 28 18.161 0.417 1.717 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.203 -0.119 1.285 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.141 1.584 2.166 1.00 0.00 O ATOM 0 H ASP A 28 18.115 -0.437 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 28 15.419 -1.136 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.194 0.005 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.091 -1.420 1.965 1.00 0.00 H new ATOM 439 N GLY A 29 15.023 1.229 -1.087 1.00 0.00 N ATOM 440 CA GLY A 29 14.343 2.471 -1.395 1.00 0.00 C ATOM 441 C GLY A 29 12.951 2.531 -0.804 1.00 0.00 C ATOM 442 O GLY A 29 12.505 3.590 -0.357 1.00 0.00 O ATOM 0 H GLY A 29 15.107 0.582 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.931 3.307 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.280 2.589 -2.477 1.00 0.00 H new ATOM 446 N GLY A 30 12.256 1.402 -0.819 1.00 0.00 N ATOM 447 CA GLY A 30 10.918 1.342 -0.271 1.00 0.00 C ATOM 448 C GLY A 30 9.852 1.360 -1.349 1.00 0.00 C ATOM 449 O GLY A 30 10.139 1.638 -2.513 1.00 0.00 O ATOM 0 H GLY A 30 12.599 0.522 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.813 0.436 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.765 2.186 0.402 1.00 0.00 H new ATOM 453 N ILE A 31 8.620 1.066 -0.961 1.00 0.00 N ATOM 454 CA ILE A 31 7.506 1.048 -1.900 1.00 0.00 C ATOM 455 C ILE A 31 6.686 2.328 -1.789 1.00 0.00 C ATOM 456 O ILE A 31 6.301 2.747 -0.692 1.00 0.00 O ATOM 457 CB ILE A 31 6.590 -0.175 -1.677 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.317 -0.382 -0.183 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.219 -1.420 -2.288 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.190 -1.352 0.099 1.00 0.00 C ATOM 0 H ILE A 31 8.365 0.836 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 31 7.932 0.978 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 31 5.636 0.010 -2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.226 -0.745 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.079 0.580 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.564 -2.276 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.359 -1.269 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.185 -1.607 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.054 -1.449 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.269 -0.981 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.434 -2.326 -0.325 1.00 0.00 H new ATOM 472 N TYR A 32 6.431 2.949 -2.926 1.00 0.00 N ATOM 473 CA TYR A 32 5.669 4.185 -2.966 1.00 0.00 C ATOM 474 C TYR A 32 4.413 4.019 -3.811 1.00 0.00 C ATOM 475 O TYR A 32 4.332 3.118 -4.650 1.00 0.00 O ATOM 476 CB TYR A 32 6.522 5.321 -3.540 1.00 0.00 C ATOM 477 CG TYR A 32 7.530 5.892 -2.569 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.699 5.208 -2.263 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.310 7.120 -1.963 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.620 5.734 -1.379 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.225 7.654 -1.077 1.00 0.00 C ATOM 482 CZ TYR A 32 9.379 6.957 -0.788 1.00 0.00 C ATOM 483 OH TYR A 32 10.295 7.482 0.093 1.00 0.00 O ATOM 0 H TYR A 32 6.742 2.616 -3.839 1.00 0.00 H new ATOM 0 HA TYR A 32 5.379 4.432 -1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.050 4.954 -4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.863 6.122 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.891 4.250 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.407 7.668 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.525 5.190 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.038 8.611 -0.614 1.00 0.00 H new ATOM 0 HH TYR A 32 10.189 7.054 0.968 1.00 0.00 H new ATOM 493 N ILE A 33 3.431 4.876 -3.567 1.00 0.00 N ATOM 494 CA ILE A 33 2.182 4.853 -4.316 1.00 0.00 C ATOM 495 C ILE A 33 2.398 5.470 -5.693 1.00 0.00 C ATOM 496 O ILE A 33 2.648 6.671 -5.806 1.00 0.00 O ATOM 497 CB ILE A 33 1.062 5.622 -3.577 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.798 4.993 -2.205 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.216 5.652 -4.410 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.282 3.569 -2.273 1.00 0.00 C ATOM 0 H ILE A 33 3.476 5.601 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 33 1.870 3.813 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 33 1.393 6.650 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.721 5.008 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.075 5.606 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.990 6.198 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.019 6.147 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.554 4.632 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.119 3.192 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.658 3.549 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.014 2.941 -2.781 1.00 0.00 H new ATOM 512 N GLY A 34 2.319 4.650 -6.730 1.00 0.00 N ATOM 513 CA GLY A 34 2.524 5.137 -8.079 1.00 0.00 C ATOM 514 C GLY A 34 1.362 5.964 -8.587 1.00 0.00 C ATOM 515 O GLY A 34 1.501 7.166 -8.820 1.00 0.00 O ATOM 0 H GLY A 34 2.116 3.653 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.433 5.738 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.680 4.290 -8.747 1.00 0.00 H new ATOM 519 N SER A 35 0.214 5.330 -8.767 1.00 0.00 N ATOM 520 CA SER A 35 -0.963 6.028 -9.258 1.00 0.00 C ATOM 521 C SER A 35 -2.235 5.454 -8.643 1.00 0.00 C ATOM 522 O SER A 35 -2.280 4.279 -8.270 1.00 0.00 O ATOM 523 CB SER A 35 -1.021 5.938 -10.784 1.00 0.00 C ATOM 524 OG SER A 35 0.171 6.438 -11.366 1.00 0.00 O ATOM 0 H SER A 35 0.073 4.337 -8.581 1.00 0.00 H new ATOM 0 HA SER A 35 -0.892 7.075 -8.964 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.171 4.901 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.876 6.504 -11.153 1.00 0.00 H new ATOM 0 HG SER A 35 0.112 6.369 -12.342 1.00 0.00 H new ATOM 530 N ILE A 36 -3.264 6.288 -8.545 1.00 0.00 N ATOM 531 CA ILE A 36 -4.539 5.882 -7.975 1.00 0.00 C ATOM 532 C ILE A 36 -5.565 5.659 -9.076 1.00 0.00 C ATOM 533 O ILE A 36 -5.646 6.440 -10.026 1.00 0.00 O ATOM 534 CB ILE A 36 -5.084 6.943 -6.990 1.00 0.00 C ATOM 535 CG1 ILE A 36 -4.026 7.298 -5.941 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.361 6.452 -6.315 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.496 8.320 -4.933 1.00 0.00 C ATOM 0 H ILE A 36 -3.237 7.259 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.369 4.953 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.323 7.842 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.729 6.391 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.138 7.679 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.725 7.215 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.120 6.254 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.152 5.536 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.696 8.523 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.766 9.242 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.365 7.933 -4.401 1.00 0.00 H new ATOM 549 N MET A 37 -6.334 4.593 -8.951 1.00 0.00 N ATOM 550 CA MET A 37 -7.362 4.269 -9.926 1.00 0.00 C ATOM 551 C MET A 37 -8.724 4.685 -9.388 1.00 0.00 C ATOM 552 O MET A 37 -9.110 4.283 -8.284 1.00 0.00 O ATOM 553 CB MET A 37 -7.364 2.770 -10.236 1.00 0.00 C ATOM 554 CG MET A 37 -5.976 2.151 -10.322 1.00 0.00 C ATOM 555 SD MET A 37 -4.868 3.060 -11.421 1.00 0.00 S ATOM 556 CE MET A 37 -3.317 2.232 -11.086 1.00 0.00 C ATOM 0 H MET A 37 -6.266 3.931 -8.178 1.00 0.00 H new ATOM 0 HA MET A 37 -7.150 4.811 -10.848 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.934 2.251 -9.465 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.882 2.606 -11.181 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.539 2.112 -9.324 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.063 1.122 -10.672 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.528 2.679 -11.690 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.069 2.337 -10.030 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.408 1.174 -11.334 1.00 0.00 H new ATOM 566 N LYS A 38 -9.439 5.492 -10.163 1.00 0.00 N ATOM 567 CA LYS A 38 -10.753 5.977 -9.767 1.00 0.00 C ATOM 568 C LYS A 38 -11.718 4.812 -9.584 1.00 0.00 C ATOM 569 O LYS A 38 -11.936 4.023 -10.502 1.00 0.00 O ATOM 570 CB LYS A 38 -11.297 6.955 -10.810 1.00 0.00 C ATOM 571 CG LYS A 38 -12.337 7.918 -10.267 1.00 0.00 C ATOM 572 CD LYS A 38 -11.757 8.808 -9.179 1.00 0.00 C ATOM 573 CE LYS A 38 -12.664 9.993 -8.880 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.006 9.562 -8.402 1.00 0.00 N ATOM 0 H LYS A 38 -9.127 5.825 -11.075 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.655 6.500 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.467 7.528 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.735 6.388 -11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.721 8.536 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.181 7.356 -9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.610 8.224 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.776 9.169 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.197 10.626 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.777 10.599 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.556 10.396 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.505 9.066 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.896 8.922 -7.589 1.00 0.00 H new ATOM 588 N GLY A 39 -12.290 4.714 -8.392 1.00 0.00 N ATOM 589 CA GLY A 39 -13.219 3.642 -8.095 1.00 0.00 C ATOM 590 C GLY A 39 -12.676 2.706 -7.039 1.00 0.00 C ATOM 591 O GLY A 39 -13.412 1.904 -6.463 1.00 0.00 O ATOM 0 H GLY A 39 -12.126 5.362 -7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.165 4.064 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.429 3.080 -9.005 1.00 0.00 H new ATOM 595 N GLY A 40 -11.377 2.809 -6.793 1.00 0.00 N ATOM 596 CA GLY A 40 -10.740 1.968 -5.804 1.00 0.00 C ATOM 597 C GLY A 40 -11.011 2.428 -4.385 1.00 0.00 C ATOM 598 O GLY A 40 -11.494 3.540 -4.163 1.00 0.00 O ATOM 0 H GLY A 40 -10.752 3.463 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.092 0.943 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.664 1.958 -5.980 1.00 0.00 H new ATOM 602 N ALA A 41 -10.693 1.572 -3.421 1.00 0.00 N ATOM 603 CA ALA A 41 -10.902 1.879 -2.008 1.00 0.00 C ATOM 604 C ALA A 41 -10.104 3.104 -1.570 1.00 0.00 C ATOM 605 O ALA A 41 -10.553 3.877 -0.723 1.00 0.00 O ATOM 606 CB ALA A 41 -10.544 0.676 -1.150 1.00 0.00 C ATOM 0 H ALA A 41 -10.286 0.653 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.958 2.112 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.704 0.918 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.174 -0.169 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.497 0.416 -1.307 1.00 0.00 H new ATOM 612 N VAL A 42 -8.927 3.287 -2.158 1.00 0.00 N ATOM 613 CA VAL A 42 -8.078 4.425 -1.821 1.00 0.00 C ATOM 614 C VAL A 42 -8.640 5.704 -2.424 1.00 0.00 C ATOM 615 O VAL A 42 -8.572 6.773 -1.816 1.00 0.00 O ATOM 616 CB VAL A 42 -6.629 4.218 -2.313 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.761 5.425 -1.982 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.042 2.966 -1.692 1.00 0.00 C ATOM 0 H VAL A 42 -8.540 2.665 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.063 4.509 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.651 4.103 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.746 5.252 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.170 6.311 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.745 5.576 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.020 2.829 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.040 3.065 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.643 2.102 -1.977 1.00 0.00 H new ATOM 628 N ALA A 43 -9.233 5.578 -3.607 1.00 0.00 N ATOM 629 CA ALA A 43 -9.817 6.714 -4.307 1.00 0.00 C ATOM 630 C ALA A 43 -11.042 7.244 -3.568 1.00 0.00 C ATOM 631 O ALA A 43 -11.509 8.349 -3.837 1.00 0.00 O ATOM 632 CB ALA A 43 -10.187 6.322 -5.728 1.00 0.00 C ATOM 0 H ALA A 43 -9.321 4.691 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.073 7.510 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.622 7.180 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.293 5.997 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.911 5.508 -5.704 1.00 0.00 H new ATOM 638 N ALA A 44 -11.562 6.447 -2.643 1.00 0.00 N ATOM 639 CA ALA A 44 -12.723 6.844 -1.859 1.00 0.00 C ATOM 640 C ALA A 44 -12.303 7.651 -0.630 1.00 0.00 C ATOM 641 O ALA A 44 -13.096 8.413 -0.075 1.00 0.00 O ATOM 642 CB ALA A 44 -13.520 5.615 -1.443 1.00 0.00 C ATOM 0 H ALA A 44 -11.197 5.521 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.355 7.480 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.386 5.924 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.855 5.081 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.890 4.959 -0.842 1.00 0.00 H new ATOM 648 N ASP A 45 -11.049 7.485 -0.220 1.00 0.00 N ATOM 649 CA ASP A 45 -10.523 8.192 0.946 1.00 0.00 C ATOM 650 C ASP A 45 -10.032 9.581 0.554 1.00 0.00 C ATOM 651 O ASP A 45 -10.698 10.583 0.819 1.00 0.00 O ATOM 652 CB ASP A 45 -9.387 7.399 1.592 1.00 0.00 C ATOM 653 CG ASP A 45 -8.996 7.959 2.945 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.174 8.897 2.991 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.507 7.458 3.967 1.00 0.00 O ATOM 0 H ASP A 45 -10.378 6.868 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.331 8.297 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.691 6.358 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.519 7.407 0.932 1.00 0.00 H new ATOM 660 N GLY A 46 -8.863 9.644 -0.074 1.00 0.00 N ATOM 661 CA GLY A 46 -8.332 10.920 -0.509 1.00 0.00 C ATOM 662 C GLY A 46 -7.058 11.339 0.203 1.00 0.00 C ATOM 663 O GLY A 46 -6.287 12.131 -0.337 1.00 0.00 O ATOM 0 H GLY A 46 -8.277 8.837 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.138 10.874 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.090 11.688 -0.355 1.00 0.00 H new ATOM 667 N ARG A 47 -6.823 10.821 1.404 1.00 0.00 N ATOM 668 CA ARG A 47 -5.625 11.189 2.162 1.00 0.00 C ATOM 669 C ARG A 47 -4.369 10.630 1.510 1.00 0.00 C ATOM 670 O ARG A 47 -3.299 11.241 1.571 1.00 0.00 O ATOM 671 CB ARG A 47 -5.732 10.722 3.609 1.00 0.00 C ATOM 672 CG ARG A 47 -6.671 11.582 4.432 1.00 0.00 C ATOM 673 CD ARG A 47 -6.977 10.948 5.773 1.00 0.00 C ATOM 674 NE ARG A 47 -7.804 9.752 5.639 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.272 9.054 6.672 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.014 9.445 7.913 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.004 7.972 6.463 1.00 0.00 N ATOM 0 H ARG A 47 -7.436 10.153 1.872 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.551 12.277 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.080 9.689 3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.742 10.733 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.224 12.564 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.599 11.737 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.043 10.689 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.488 11.672 6.408 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.037 9.432 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.456 10.283 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.374 8.908 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.210 7.672 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.362 7.438 7.255 1.00 0.00 H new ATOM 691 N ILE A 48 -4.502 9.467 0.895 1.00 0.00 N ATOM 692 CA ILE A 48 -3.383 8.844 0.208 1.00 0.00 C ATOM 693 C ILE A 48 -3.291 9.404 -1.205 1.00 0.00 C ATOM 694 O ILE A 48 -4.304 9.524 -1.898 1.00 0.00 O ATOM 695 CB ILE A 48 -3.525 7.306 0.152 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.580 6.729 1.570 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.375 6.684 -0.640 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.587 5.219 1.613 1.00 0.00 C ATOM 0 H ILE A 48 -5.372 8.936 0.857 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.474 9.069 0.766 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.456 7.062 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.723 7.095 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.474 7.102 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.495 5.601 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.381 7.075 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.428 6.932 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.627 4.885 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.459 4.844 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.680 4.837 1.143 1.00 0.00 H new ATOM 710 N GLU A 49 -2.090 9.763 -1.623 1.00 0.00 N ATOM 711 CA GLU A 49 -1.886 10.322 -2.948 1.00 0.00 C ATOM 712 C GLU A 49 -0.640 9.729 -3.600 1.00 0.00 C ATOM 713 O GLU A 49 0.203 9.138 -2.917 1.00 0.00 O ATOM 714 CB GLU A 49 -1.768 11.847 -2.849 1.00 0.00 C ATOM 715 CG GLU A 49 -0.522 12.315 -2.124 1.00 0.00 C ATOM 716 CD GLU A 49 -0.587 13.777 -1.749 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.734 14.628 -2.651 1.00 0.00 O ATOM 718 OE2 GLU A 49 -0.491 14.083 -0.545 1.00 0.00 O ATOM 0 H GLU A 49 -1.241 9.677 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.743 10.070 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.773 12.269 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.646 12.238 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.384 11.718 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.349 12.144 -2.757 1.00 0.00 H new ATOM 725 N PRO A 50 -0.516 9.852 -4.936 1.00 0.00 N ATOM 726 CA PRO A 50 0.645 9.345 -5.667 1.00 0.00 C ATOM 727 C PRO A 50 1.942 9.962 -5.147 1.00 0.00 C ATOM 728 O PRO A 50 2.194 11.158 -5.321 1.00 0.00 O ATOM 729 CB PRO A 50 0.383 9.774 -7.116 1.00 0.00 C ATOM 730 CG PRO A 50 -1.087 9.979 -7.192 1.00 0.00 C ATOM 731 CD PRO A 50 -1.497 10.482 -5.838 1.00 0.00 C ATOM 0 HA PRO A 50 0.766 8.267 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.923 10.688 -7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.713 9.010 -7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.342 10.698 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.600 9.049 -7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.455 11.570 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.518 10.189 -5.591 1.00 0.00 H new ATOM 739 N GLY A 51 2.754 9.139 -4.505 1.00 0.00 N ATOM 740 CA GLY A 51 4.006 9.605 -3.950 1.00 0.00 C ATOM 741 C GLY A 51 4.152 9.242 -2.488 1.00 0.00 C ATOM 742 O GLY A 51 5.239 9.348 -1.922 1.00 0.00 O ATOM 0 H GLY A 51 2.566 8.147 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.834 9.175 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.071 10.687 -4.062 1.00 0.00 H new ATOM 746 N ASP A 52 3.054 8.826 -1.869 1.00 0.00 N ATOM 747 CA ASP A 52 3.070 8.430 -0.463 1.00 0.00 C ATOM 748 C ASP A 52 3.845 7.127 -0.297 1.00 0.00 C ATOM 749 O ASP A 52 3.800 6.257 -1.170 1.00 0.00 O ATOM 750 CB ASP A 52 1.646 8.259 0.071 1.00 0.00 C ATOM 751 CG ASP A 52 0.934 9.579 0.320 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.609 10.623 0.456 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.310 9.582 0.388 1.00 0.00 O ATOM 0 H ASP A 52 2.140 8.753 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 52 3.561 9.217 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.067 7.670 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.680 7.691 1.001 1.00 0.00 H new ATOM 758 N MET A 53 4.550 6.992 0.817 1.00 0.00 N ATOM 759 CA MET A 53 5.342 5.793 1.076 1.00 0.00 C ATOM 760 C MET A 53 4.607 4.840 2.007 1.00 0.00 C ATOM 761 O MET A 53 4.122 5.245 3.063 1.00 0.00 O ATOM 762 CB MET A 53 6.697 6.168 1.682 1.00 0.00 C ATOM 763 CG MET A 53 7.576 4.967 1.991 1.00 0.00 C ATOM 764 SD MET A 53 9.161 5.433 2.714 1.00 0.00 S ATOM 765 CE MET A 53 9.909 3.822 2.963 1.00 0.00 C ATOM 0 H MET A 53 4.591 7.694 1.556 1.00 0.00 H new ATOM 0 HA MET A 53 5.503 5.288 0.123 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.225 6.827 0.992 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.532 6.733 2.599 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.049 4.303 2.677 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.751 4.404 1.074 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.994 3.914 2.919 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.617 3.432 3.938 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.571 3.139 2.183 1.00 0.00 H new ATOM 775 N LEU A 54 4.529 3.574 1.616 1.00 0.00 N ATOM 776 CA LEU A 54 3.859 2.566 2.428 1.00 0.00 C ATOM 777 C LEU A 54 4.819 1.998 3.465 1.00 0.00 C ATOM 778 O LEU A 54 5.878 1.471 3.122 1.00 0.00 O ATOM 779 CB LEU A 54 3.310 1.434 1.556 1.00 0.00 C ATOM 780 CG LEU A 54 1.993 1.736 0.838 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.706 0.678 -0.216 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.847 1.810 1.834 1.00 0.00 C ATOM 0 H LEU A 54 4.921 3.221 0.743 1.00 0.00 H new ATOM 0 HA LEU A 54 3.024 3.047 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.061 1.178 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.169 0.553 2.181 1.00 0.00 H new ATOM 0 HG LEU A 54 2.087 2.703 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.766 0.909 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.513 0.665 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.633 -0.300 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.081 2.026 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.755 0.857 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.044 2.601 2.558 1.00 0.00 H new ATOM 794 N LEU A 55 4.454 2.119 4.731 1.00 0.00 N ATOM 795 CA LEU A 55 5.293 1.621 5.812 1.00 0.00 C ATOM 796 C LEU A 55 4.734 0.325 6.391 1.00 0.00 C ATOM 797 O LEU A 55 5.379 -0.722 6.349 1.00 0.00 O ATOM 798 CB LEU A 55 5.409 2.670 6.919 1.00 0.00 C ATOM 799 CG LEU A 55 5.853 4.063 6.469 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.892 5.007 7.658 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.214 4.012 5.786 1.00 0.00 C ATOM 0 H LEU A 55 3.585 2.556 5.036 1.00 0.00 H new ATOM 0 HA LEU A 55 6.282 1.418 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.441 2.759 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.115 2.307 7.666 1.00 0.00 H new ATOM 0 HG LEU A 55 5.128 4.435 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.209 5.996 7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.899 5.074 8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.596 4.629 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.504 5.016 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.955 3.618 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.158 3.365 4.911 1.00 0.00 H new ATOM 813 N GLN A 56 3.521 0.401 6.919 1.00 0.00 N ATOM 814 CA GLN A 56 2.876 -0.752 7.528 1.00 0.00 C ATOM 815 C GLN A 56 1.501 -0.987 6.912 1.00 0.00 C ATOM 816 O GLN A 56 0.733 -0.042 6.712 1.00 0.00 O ATOM 817 CB GLN A 56 2.753 -0.525 9.038 1.00 0.00 C ATOM 818 CG GLN A 56 2.306 -1.748 9.822 1.00 0.00 C ATOM 819 CD GLN A 56 2.303 -1.510 11.321 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.489 -2.079 12.050 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.213 -0.671 11.796 1.00 0.00 N ATOM 0 H GLN A 56 2.962 1.254 6.938 1.00 0.00 H new ATOM 0 HA GLN A 56 3.483 -1.638 7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.717 -0.194 9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.044 0.284 9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.305 -2.035 9.501 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.966 -2.584 9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.871 -0.219 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.256 -0.478 12.797 1.00 0.00 H new ATOM 830 N VAL A 57 1.206 -2.242 6.601 1.00 0.00 N ATOM 831 CA VAL A 57 -0.073 -2.612 6.009 1.00 0.00 C ATOM 832 C VAL A 57 -0.675 -3.792 6.759 1.00 0.00 C ATOM 833 O VAL A 57 -0.264 -4.934 6.569 1.00 0.00 O ATOM 834 CB VAL A 57 0.066 -2.982 4.515 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.263 -3.482 3.961 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.569 -1.796 3.706 1.00 0.00 C ATOM 0 H VAL A 57 1.840 -3.027 6.750 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.727 -1.743 6.086 1.00 0.00 H new ATOM 0 HB VAL A 57 0.799 -3.784 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.145 -3.738 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.579 -4.365 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.017 -2.701 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.658 -2.082 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.135 -0.968 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.544 -1.486 4.082 1.00 0.00 H new ATOM 846 N ASN A 58 -1.632 -3.501 7.628 1.00 0.00 N ATOM 847 CA ASN A 58 -2.308 -4.527 8.420 1.00 0.00 C ATOM 848 C ASN A 58 -1.326 -5.242 9.337 1.00 0.00 C ATOM 849 O ASN A 58 -1.093 -6.443 9.206 1.00 0.00 O ATOM 850 CB ASN A 58 -3.040 -5.531 7.520 1.00 0.00 C ATOM 851 CG ASN A 58 -4.480 -5.127 7.260 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.847 -3.969 7.435 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.305 -6.073 6.839 1.00 0.00 N ATOM 0 H ASN A 58 -1.963 -2.553 7.806 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.052 -4.028 9.041 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.512 -5.617 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.020 -6.516 7.986 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.282 -5.850 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.964 -7.025 6.705 1.00 0.00 H new ATOM 860 N ASP A 59 -0.726 -4.457 10.232 1.00 0.00 N ATOM 861 CA ASP A 59 0.227 -4.937 11.242 1.00 0.00 C ATOM 862 C ASP A 59 1.605 -5.275 10.677 1.00 0.00 C ATOM 863 O ASP A 59 2.614 -4.969 11.311 1.00 0.00 O ATOM 864 CB ASP A 59 -0.328 -6.134 12.020 1.00 0.00 C ATOM 865 CG ASP A 59 -1.132 -5.714 13.235 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.811 -4.664 13.833 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.094 -6.427 13.596 1.00 0.00 O ATOM 0 H ASP A 59 -0.889 -3.451 10.279 1.00 0.00 H new ATOM 0 HA ASP A 59 0.362 -4.098 11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.957 -6.732 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.497 -6.772 12.337 1.00 0.00 H new ATOM 872 N VAL A 60 1.671 -5.899 9.507 1.00 0.00 N ATOM 873 CA VAL A 60 2.964 -6.255 8.931 1.00 0.00 C ATOM 874 C VAL A 60 3.700 -5.009 8.446 1.00 0.00 C ATOM 875 O VAL A 60 3.138 -4.165 7.740 1.00 0.00 O ATOM 876 CB VAL A 60 2.850 -7.303 7.798 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.228 -8.584 8.330 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.062 -6.770 6.613 1.00 0.00 C ATOM 0 H VAL A 60 0.862 -6.165 8.947 1.00 0.00 H new ATOM 0 HA VAL A 60 3.544 -6.721 9.728 1.00 0.00 H new ATOM 0 HB VAL A 60 3.857 -7.521 7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.153 -9.314 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.852 -8.987 9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.233 -8.371 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.005 -7.536 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.055 -6.504 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.560 -5.887 6.213 1.00 0.00 H new ATOM 888 N ASN A 61 4.951 -4.887 8.859 1.00 0.00 N ATOM 889 CA ASN A 61 5.778 -3.744 8.502 1.00 0.00 C ATOM 890 C ASN A 61 6.672 -4.067 7.310 1.00 0.00 C ATOM 891 O ASN A 61 7.404 -5.057 7.320 1.00 0.00 O ATOM 892 CB ASN A 61 6.628 -3.334 9.703 1.00 0.00 C ATOM 893 CG ASN A 61 7.549 -2.172 9.406 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.216 -1.283 8.627 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.717 -2.180 10.022 1.00 0.00 N ATOM 0 H ASN A 61 5.421 -5.574 9.449 1.00 0.00 H new ATOM 0 HA ASN A 61 5.126 -2.917 8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.972 -3.068 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.222 -4.188 10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.385 -1.427 9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.951 -2.940 10.661 1.00 0.00 H new ATOM 902 N PHE A 62 6.625 -3.212 6.298 1.00 0.00 N ATOM 903 CA PHE A 62 7.418 -3.414 5.090 1.00 0.00 C ATOM 904 C PHE A 62 8.701 -2.590 5.113 1.00 0.00 C ATOM 905 O PHE A 62 9.546 -2.732 4.228 1.00 0.00 O ATOM 906 CB PHE A 62 6.602 -3.058 3.843 1.00 0.00 C ATOM 907 CG PHE A 62 5.407 -3.947 3.618 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.480 -5.315 3.849 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.209 -3.413 3.174 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.382 -6.126 3.636 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.111 -4.222 2.958 1.00 0.00 C ATOM 912 CZ PHE A 62 3.195 -5.578 3.193 1.00 0.00 C ATOM 0 H PHE A 62 6.047 -2.372 6.288 1.00 0.00 H new ATOM 0 HA PHE A 62 7.690 -4.469 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.263 -2.025 3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.251 -3.111 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.405 -5.749 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.132 -2.351 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.452 -7.189 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.185 -3.792 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.334 -6.210 3.031 1.00 0.00 H new ATOM 922 N GLU A 63 8.861 -1.748 6.135 1.00 0.00 N ATOM 923 CA GLU A 63 10.050 -0.902 6.253 1.00 0.00 C ATOM 924 C GLU A 63 11.318 -1.739 6.398 1.00 0.00 C ATOM 925 O GLU A 63 12.416 -1.275 6.103 1.00 0.00 O ATOM 926 CB GLU A 63 9.934 0.036 7.455 1.00 0.00 C ATOM 927 CG GLU A 63 8.861 1.099 7.311 1.00 0.00 C ATOM 928 CD GLU A 63 8.922 2.136 8.416 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.659 3.128 8.262 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.241 1.965 9.448 1.00 0.00 O ATOM 0 H GLU A 63 8.185 -1.634 6.890 1.00 0.00 H new ATOM 0 HA GLU A 63 10.115 -0.315 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.726 -0.557 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.895 0.525 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.971 1.594 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.880 0.624 7.316 1.00 0.00 H new ATOM 937 N ASN A 64 11.160 -2.971 6.854 1.00 0.00 N ATOM 938 CA ASN A 64 12.297 -3.860 7.048 1.00 0.00 C ATOM 939 C ASN A 64 12.259 -5.011 6.048 1.00 0.00 C ATOM 940 O ASN A 64 12.718 -6.116 6.338 1.00 0.00 O ATOM 941 CB ASN A 64 12.299 -4.406 8.477 1.00 0.00 C ATOM 942 CG ASN A 64 13.665 -4.326 9.134 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.700 -4.384 8.469 1.00 0.00 O ATOM 944 ND2 ASN A 64 13.671 -4.189 10.449 1.00 0.00 N ATOM 0 H ASN A 64 10.257 -3.379 7.097 1.00 0.00 H new ATOM 0 HA ASN A 64 13.211 -3.290 6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.579 -3.848 9.076 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.967 -5.444 8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.557 -4.127 10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.790 -4.145 10.961 1.00 0.00 H new ATOM 951 N MET A 65 11.710 -4.748 4.869 1.00 0.00 N ATOM 952 CA MET A 65 11.606 -5.761 3.828 1.00 0.00 C ATOM 953 C MET A 65 12.029 -5.184 2.483 1.00 0.00 C ATOM 954 O MET A 65 12.233 -3.976 2.360 1.00 0.00 O ATOM 955 CB MET A 65 10.172 -6.299 3.747 1.00 0.00 C ATOM 956 CG MET A 65 9.784 -7.166 4.936 1.00 0.00 C ATOM 957 SD MET A 65 8.003 -7.420 5.074 1.00 0.00 S ATOM 958 CE MET A 65 7.683 -8.400 3.610 1.00 0.00 C ATOM 0 H MET A 65 11.329 -3.838 4.610 1.00 0.00 H new ATOM 0 HA MET A 65 12.273 -6.585 4.080 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.480 -5.460 3.678 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.061 -6.880 2.831 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.278 -8.134 4.849 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.151 -6.702 5.852 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.607 -8.517 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.103 -7.899 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.144 -9.381 3.721 1.00 0.00 H new ATOM 968 N SER A 66 12.171 -6.045 1.486 1.00 0.00 N ATOM 969 CA SER A 66 12.567 -5.615 0.156 1.00 0.00 C ATOM 970 C SER A 66 11.352 -5.106 -0.615 1.00 0.00 C ATOM 971 O SER A 66 10.209 -5.369 -0.228 1.00 0.00 O ATOM 972 CB SER A 66 13.220 -6.779 -0.599 1.00 0.00 C ATOM 973 OG SER A 66 12.270 -7.794 -0.883 1.00 0.00 O ATOM 0 H SER A 66 12.017 -7.049 1.575 1.00 0.00 H new ATOM 0 HA SER A 66 13.289 -4.804 0.248 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.658 -6.415 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.034 -7.193 -0.004 1.00 0.00 H new ATOM 0 HG SER A 66 12.403 -8.547 -0.270 1.00 0.00 H new ATOM 979 N ASN A 67 11.597 -4.389 -1.706 1.00 0.00 N ATOM 980 CA ASN A 67 10.516 -3.859 -2.536 1.00 0.00 C ATOM 981 C ASN A 67 9.692 -5.005 -3.106 1.00 0.00 C ATOM 982 O ASN A 67 8.482 -4.885 -3.312 1.00 0.00 O ATOM 983 CB ASN A 67 11.064 -3.019 -3.695 1.00 0.00 C ATOM 984 CG ASN A 67 11.976 -1.890 -3.251 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.815 -1.323 -2.172 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.943 -1.555 -4.091 1.00 0.00 N ATOM 0 H ASN A 67 12.534 -4.160 -2.038 1.00 0.00 H new ATOM 0 HA ASN A 67 9.894 -3.224 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.611 -3.670 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.228 -2.600 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.588 -0.802 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.043 -2.050 -4.977 1.00 0.00 H new ATOM 993 N ASP A 68 10.369 -6.118 -3.349 1.00 0.00 N ATOM 994 CA ASP A 68 9.737 -7.308 -3.891 1.00 0.00 C ATOM 995 C ASP A 68 8.898 -7.994 -2.825 1.00 0.00 C ATOM 996 O ASP A 68 7.705 -8.231 -3.023 1.00 0.00 O ATOM 997 CB ASP A 68 10.795 -8.278 -4.430 1.00 0.00 C ATOM 998 CG ASP A 68 11.395 -7.820 -5.744 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.842 -8.165 -6.806 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.425 -7.113 -5.724 1.00 0.00 O ATOM 0 H ASP A 68 11.369 -6.220 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 68 9.086 -7.008 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.589 -8.389 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.345 -9.262 -4.564 1.00 0.00 H new ATOM 1005 N ASP A 69 9.517 -8.272 -1.678 1.00 0.00 N ATOM 1006 CA ASP A 69 8.839 -8.947 -0.572 1.00 0.00 C ATOM 1007 C ASP A 69 7.624 -8.165 -0.098 1.00 0.00 C ATOM 1008 O ASP A 69 6.585 -8.751 0.222 1.00 0.00 O ATOM 1009 CB ASP A 69 9.799 -9.173 0.598 1.00 0.00 C ATOM 1010 CG ASP A 69 10.698 -10.371 0.378 1.00 0.00 C ATOM 1011 OD1 ASP A 69 10.170 -11.497 0.249 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.935 -10.194 0.329 1.00 0.00 O ATOM 0 H ASP A 69 10.492 -8.039 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 69 8.498 -9.913 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.412 -8.283 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.225 -9.315 1.514 1.00 0.00 H new ATOM 1017 N ALA A 70 7.754 -6.845 -0.058 1.00 0.00 N ATOM 1018 CA ALA A 70 6.664 -5.978 0.371 1.00 0.00 C ATOM 1019 C ALA A 70 5.415 -6.212 -0.473 1.00 0.00 C ATOM 1020 O ALA A 70 4.314 -6.375 0.054 1.00 0.00 O ATOM 1021 CB ALA A 70 7.090 -4.520 0.290 1.00 0.00 C ATOM 0 H ALA A 70 8.607 -6.350 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 70 6.424 -6.220 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.267 -3.882 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.952 -4.356 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.357 -4.275 -0.738 1.00 0.00 H new ATOM 1027 N VAL A 71 5.598 -6.250 -1.787 1.00 0.00 N ATOM 1028 CA VAL A 71 4.490 -6.464 -2.709 1.00 0.00 C ATOM 1029 C VAL A 71 3.961 -7.896 -2.609 1.00 0.00 C ATOM 1030 O VAL A 71 2.749 -8.121 -2.640 1.00 0.00 O ATOM 1031 CB VAL A 71 4.903 -6.158 -4.166 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.782 -6.497 -5.135 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.294 -4.697 -4.314 1.00 0.00 C ATOM 0 H VAL A 71 6.505 -6.135 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 71 3.695 -5.775 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 71 5.765 -6.781 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.100 -6.272 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.541 -7.557 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.899 -5.906 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.582 -4.500 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.447 -4.065 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.134 -4.477 -3.655 1.00 0.00 H new ATOM 1043 N ARG A 72 4.877 -8.852 -2.460 1.00 0.00 N ATOM 1044 CA ARG A 72 4.512 -10.265 -2.352 1.00 0.00 C ATOM 1045 C ARG A 72 3.518 -10.484 -1.219 1.00 0.00 C ATOM 1046 O ARG A 72 2.471 -11.104 -1.407 1.00 0.00 O ATOM 1047 CB ARG A 72 5.753 -11.129 -2.113 1.00 0.00 C ATOM 1048 CG ARG A 72 6.735 -11.142 -3.275 1.00 0.00 C ATOM 1049 CD ARG A 72 7.998 -11.919 -2.933 1.00 0.00 C ATOM 1050 NE ARG A 72 9.048 -11.733 -3.937 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.355 -11.785 -3.672 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.785 -11.968 -2.431 1.00 0.00 N ATOM 1053 NH2 ARG A 72 11.237 -11.634 -4.650 1.00 0.00 N ATOM 0 H ARG A 72 5.880 -8.674 -2.411 1.00 0.00 H new ATOM 0 HA ARG A 72 4.048 -10.558 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.267 -10.769 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.436 -12.152 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.259 -11.587 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.998 -10.118 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.368 -11.599 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.760 -12.979 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 72 8.762 -11.552 -4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.115 -12.070 -1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.786 -12.006 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.917 -11.478 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.236 -11.674 -4.447 1.00 0.00 H new ATOM 1067 N VAL A 73 3.849 -9.958 -0.045 1.00 0.00 N ATOM 1068 CA VAL A 73 2.990 -10.095 1.126 1.00 0.00 C ATOM 1069 C VAL A 73 1.721 -9.260 0.969 1.00 0.00 C ATOM 1070 O VAL A 73 0.631 -9.697 1.340 1.00 0.00 O ATOM 1071 CB VAL A 73 3.728 -9.688 2.419 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.797 -9.736 3.624 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.932 -10.593 2.641 1.00 0.00 C ATOM 0 H VAL A 73 4.707 -9.432 0.121 1.00 0.00 H new ATOM 0 HA VAL A 73 2.715 -11.147 1.205 1.00 0.00 H new ATOM 0 HB VAL A 73 4.073 -8.660 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.346 -9.444 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.965 -9.049 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.413 -10.749 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.446 -10.297 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.599 -11.627 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.615 -10.504 1.796 1.00 0.00 H new ATOM 1083 N LEU A 74 1.863 -8.065 0.400 1.00 0.00 N ATOM 1084 CA LEU A 74 0.725 -7.177 0.185 1.00 0.00 C ATOM 1085 C LEU A 74 -0.350 -7.876 -0.640 1.00 0.00 C ATOM 1086 O LEU A 74 -1.539 -7.801 -0.325 1.00 0.00 O ATOM 1087 CB LEU A 74 1.178 -5.894 -0.520 1.00 0.00 C ATOM 1088 CG LEU A 74 0.076 -4.869 -0.790 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.442 -4.283 0.514 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.582 -3.769 -1.713 1.00 0.00 C ATOM 0 H LEU A 74 2.756 -7.690 0.080 1.00 0.00 H new ATOM 0 HA LEU A 74 0.304 -6.916 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.951 -5.420 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.639 -6.165 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.751 -5.377 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.225 -3.556 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.847 -5.081 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.375 -3.791 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.217 -3.049 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.428 -3.263 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.898 -4.206 -2.661 1.00 0.00 H new ATOM 1102 N ARG A 75 0.088 -8.586 -1.674 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.814 -9.311 -2.566 1.00 0.00 C ATOM 1104 C ARG A 75 -1.678 -10.310 -1.800 1.00 0.00 C ATOM 1105 O ARG A 75 -2.851 -10.504 -2.121 1.00 0.00 O ATOM 1106 CB ARG A 75 -0.009 -10.036 -3.650 1.00 0.00 C ATOM 1107 CG ARG A 75 0.576 -9.099 -4.698 1.00 0.00 C ATOM 1108 CD ARG A 75 1.557 -9.810 -5.616 1.00 0.00 C ATOM 1109 NE ARG A 75 0.883 -10.675 -6.582 1.00 0.00 N ATOM 1110 CZ ARG A 75 1.154 -10.692 -7.890 1.00 0.00 C ATOM 1111 NH1 ARG A 75 2.093 -9.900 -8.401 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.477 -11.504 -8.693 1.00 0.00 N ATOM 0 H ARG A 75 1.074 -8.676 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.479 -8.584 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.801 -10.593 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.652 -10.765 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.231 -8.671 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.080 -8.270 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.155 -9.070 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.246 -10.405 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 75 0.160 -11.306 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.616 -9.270 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.290 -9.923 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.247 -12.112 -8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.681 -11.520 -9.692 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.106 -10.921 -0.769 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.824 -11.903 0.032 1.00 0.00 C ATOM 1128 C GLU A 76 -2.926 -11.246 0.856 1.00 0.00 C ATOM 1129 O GLU A 76 -4.000 -11.821 1.045 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.856 -12.648 0.949 1.00 0.00 C ATOM 1131 CG GLU A 76 0.184 -13.461 0.196 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.444 -14.514 -0.691 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.741 -15.617 -0.187 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.643 -14.248 -1.895 1.00 0.00 O ATOM 0 H GLU A 76 -0.146 -10.753 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.290 -12.615 -0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.348 -11.928 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.423 -13.312 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.794 -12.793 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.853 -13.942 0.910 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.662 -10.038 1.338 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.633 -9.308 2.140 1.00 0.00 C ATOM 1143 C ILE A 77 -4.700 -8.681 1.245 1.00 0.00 C ATOM 1144 O ILE A 77 -5.887 -8.673 1.576 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.962 -8.194 2.972 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.692 -8.717 3.650 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.936 -7.651 4.009 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.830 -7.628 4.244 1.00 0.00 C ATOM 0 H ILE A 77 -1.783 -9.544 1.187 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.092 -10.025 2.820 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.681 -7.383 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.973 -9.417 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.105 -9.276 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.450 -6.866 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.812 -7.241 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.244 -8.456 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.051 -8.073 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.519 -6.941 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.399 -7.083 4.997 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.260 -8.166 0.104 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.152 -7.533 -0.860 1.00 0.00 C ATOM 1162 C VAL A 78 -6.158 -8.541 -1.421 1.00 0.00 C ATOM 1163 O VAL A 78 -7.325 -8.214 -1.631 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.344 -6.875 -2.002 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.242 -6.414 -3.141 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.550 -5.699 -1.458 1.00 0.00 C ATOM 0 H VAL A 78 -3.280 -8.175 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.710 -6.753 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.663 -7.626 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.634 -5.958 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.777 -7.270 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.959 -5.684 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.982 -5.238 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.233 -4.965 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.864 -6.049 -0.686 1.00 0.00 H new ATOM 1176 N SER A 79 -5.712 -9.770 -1.635 1.00 0.00 N ATOM 1177 CA SER A 79 -6.587 -10.812 -2.154 1.00 0.00 C ATOM 1178 C SER A 79 -7.220 -11.613 -1.013 1.00 0.00 C ATOM 1179 O SER A 79 -7.627 -12.761 -1.196 1.00 0.00 O ATOM 1180 CB SER A 79 -5.799 -11.745 -3.068 1.00 0.00 C ATOM 1181 OG SER A 79 -4.842 -11.022 -3.824 1.00 0.00 O ATOM 0 H SER A 79 -4.753 -10.070 -1.458 1.00 0.00 H new ATOM 0 HA SER A 79 -7.385 -10.337 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.297 -12.507 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.482 -12.265 -3.740 1.00 0.00 H new ATOM 0 HG SER A 79 -3.994 -10.989 -3.333 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.288 -11.002 0.161 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.868 -11.646 1.332 1.00 0.00 C ATOM 1189 C GLN A 80 -9.091 -10.872 1.799 1.00 0.00 C ATOM 1190 O GLN A 80 -9.164 -9.654 1.629 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.842 -11.728 2.465 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.979 -12.980 3.319 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.612 -14.241 2.563 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -7.185 -15.304 2.793 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.650 -14.139 1.660 1.00 0.00 N ATOM 0 H GLN A 80 -6.947 -10.056 0.329 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.166 -12.658 1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.839 -11.696 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.946 -10.850 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.341 -12.888 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.005 -13.061 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.197 -13.240 1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.361 -14.960 1.127 1.00 0.00 H new ATOM 1204 N THR A 81 -10.048 -11.579 2.376 1.00 0.00 N ATOM 1205 CA THR A 81 -11.260 -10.955 2.874 1.00 0.00 C ATOM 1206 C THR A 81 -10.999 -10.297 4.224 1.00 0.00 C ATOM 1207 O THR A 81 -10.577 -10.958 5.174 1.00 0.00 O ATOM 1208 CB THR A 81 -12.382 -11.995 3.017 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.979 -13.228 2.402 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.670 -11.501 2.376 1.00 0.00 C ATOM 0 H THR A 81 -10.008 -12.589 2.511 1.00 0.00 H new ATOM 0 HA THR A 81 -11.571 -10.194 2.158 1.00 0.00 H new ATOM 0 HB THR A 81 -12.567 -12.156 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.695 -13.890 2.496 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.447 -12.257 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.987 -10.577 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.500 -11.315 1.316 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.232 -8.995 4.298 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.014 -8.268 5.534 1.00 0.00 C ATOM 1220 C GLY A 82 -10.527 -6.856 5.279 1.00 0.00 C ATOM 1221 O GLY A 82 -9.920 -6.595 4.241 1.00 0.00 O ATOM 0 H GLY A 82 -11.569 -8.426 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.942 -8.235 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.284 -8.800 6.144 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.770 -5.925 6.213 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.352 -4.526 6.065 1.00 0.00 C ATOM 1227 C PRO A 83 -8.835 -4.374 5.984 1.00 0.00 C ATOM 1228 O PRO A 83 -8.087 -5.065 6.681 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.890 -3.846 7.327 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.093 -4.952 8.304 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.454 -6.163 7.492 1.00 0.00 C ATOM 0 HA PRO A 83 -10.731 -4.092 5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.185 -3.107 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.824 -3.321 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.189 -5.129 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.885 -4.707 9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.112 -7.083 7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.532 -6.254 7.361 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.384 -3.473 5.127 1.00 0.00 N ATOM 1240 CA ILE A 84 -6.960 -3.237 4.957 1.00 0.00 C ATOM 1241 C ILE A 84 -6.591 -1.821 5.381 1.00 0.00 C ATOM 1242 O ILE A 84 -7.138 -0.845 4.870 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.513 -3.465 3.496 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.005 -4.827 2.995 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -4.996 -3.365 3.385 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.618 -5.123 1.561 1.00 0.00 C ATOM 0 H ILE A 84 -8.983 -2.893 4.539 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.441 -3.954 5.594 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.954 -2.690 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.603 -5.609 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.091 -4.867 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.695 -3.528 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.672 -2.375 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.534 -4.121 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.000 -6.103 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.043 -4.363 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.532 -5.116 1.468 1.00 0.00 H new ATOM 1258 N SER A 85 -5.688 -1.719 6.339 1.00 0.00 N ATOM 1259 CA SER A 85 -5.228 -0.434 6.829 1.00 0.00 C ATOM 1260 C SER A 85 -3.875 -0.104 6.212 1.00 0.00 C ATOM 1261 O SER A 85 -2.962 -0.934 6.212 1.00 0.00 O ATOM 1262 CB SER A 85 -5.143 -0.455 8.355 1.00 0.00 C ATOM 1263 OG SER A 85 -6.417 -0.727 8.926 1.00 0.00 O ATOM 0 H SER A 85 -5.255 -2.521 6.797 1.00 0.00 H new ATOM 0 HA SER A 85 -5.938 0.340 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.427 -1.212 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.774 0.505 8.717 1.00 0.00 H new ATOM 0 HG SER A 85 -6.342 -0.738 9.903 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.754 1.103 5.683 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.525 1.533 5.039 1.00 0.00 C ATOM 1271 C LEU A 86 -1.863 2.659 5.822 1.00 0.00 C ATOM 1272 O LEU A 86 -2.444 3.730 6.005 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.803 2.001 3.605 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.470 0.974 2.684 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.761 1.597 1.329 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.587 -0.254 2.527 1.00 0.00 C ATOM 0 H LEU A 86 -4.495 1.804 5.688 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.849 0.679 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.437 2.887 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.859 2.306 3.154 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.412 0.662 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.235 0.858 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.429 2.449 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.828 1.931 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.077 -0.973 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.630 0.039 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.421 -0.710 3.503 1.00 0.00 H new ATOM 1288 N THR A 87 -0.654 2.401 6.295 1.00 0.00 N ATOM 1289 CA THR A 87 0.113 3.390 7.033 1.00 0.00 C ATOM 1290 C THR A 87 1.082 4.075 6.074 1.00 0.00 C ATOM 1291 O THR A 87 2.144 3.530 5.757 1.00 0.00 O ATOM 1292 CB THR A 87 0.898 2.736 8.190 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.121 1.680 8.775 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.250 3.758 9.262 1.00 0.00 C ATOM 0 H THR A 87 -0.180 1.506 6.179 1.00 0.00 H new ATOM 0 HA THR A 87 -0.573 4.120 7.464 1.00 0.00 H new ATOM 0 HB THR A 87 1.823 2.330 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.178 0.881 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.802 3.268 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.865 4.546 8.826 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.335 4.193 9.665 1.00 0.00 H new ATOM 1302 N VAL A 88 0.699 5.245 5.584 1.00 0.00 N ATOM 1303 CA VAL A 88 1.523 5.969 4.630 1.00 0.00 C ATOM 1304 C VAL A 88 2.265 7.134 5.267 1.00 0.00 C ATOM 1305 O VAL A 88 1.758 7.804 6.168 1.00 0.00 O ATOM 1306 CB VAL A 88 0.687 6.500 3.449 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.324 5.375 2.496 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.568 7.213 3.939 1.00 0.00 C ATOM 0 H VAL A 88 -0.174 5.711 5.831 1.00 0.00 H new ATOM 0 HA VAL A 88 2.255 5.248 4.266 1.00 0.00 H new ATOM 0 HB VAL A 88 1.297 7.224 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.266 5.773 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.235 4.921 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.258 4.622 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.137 7.577 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.180 6.518 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.285 8.055 4.571 1.00 0.00 H new ATOM 1318 N ALA A 89 3.478 7.359 4.788 1.00 0.00 N ATOM 1319 CA ALA A 89 4.313 8.446 5.265 1.00 0.00 C ATOM 1320 C ALA A 89 4.366 9.550 4.220 1.00 0.00 C ATOM 1321 O ALA A 89 4.765 9.314 3.076 1.00 0.00 O ATOM 1322 CB ALA A 89 5.713 7.944 5.582 1.00 0.00 C ATOM 0 H ALA A 89 3.910 6.793 4.058 1.00 0.00 H new ATOM 0 HA ALA A 89 3.881 8.847 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.325 8.773 5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.658 7.176 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.161 7.523 4.682 1.00 0.00 H new ATOM 1328 N LYS A 90 3.955 10.744 4.610 1.00 0.00 N ATOM 1329 CA LYS A 90 3.942 11.883 3.709 1.00 0.00 C ATOM 1330 C LYS A 90 4.970 12.915 4.150 1.00 0.00 C ATOM 1331 O LYS A 90 4.863 13.407 5.295 1.00 0.00 O ATOM 1332 CB LYS A 90 2.545 12.507 3.677 1.00 0.00 C ATOM 1333 CG LYS A 90 1.425 11.484 3.546 1.00 0.00 C ATOM 1334 CD LYS A 90 0.057 12.124 3.709 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.314 12.972 2.506 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.626 12.144 1.310 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.883 13.232 3.357 1.00 0.00 O ATOM 0 H LYS A 90 3.623 10.951 5.552 1.00 0.00 H new ATOM 0 HA LYS A 90 4.200 11.543 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.393 13.085 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.487 13.206 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.486 11.000 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.554 10.705 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.694 11.347 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.049 12.743 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.177 13.591 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.508 13.649 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.939 12.760 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.225 11.623 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.382 11.469 1.543 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 2.984 -4.201 -8.582 1.00 20.00 C HETATM 1353 C19 SUZ A 91 1.992 -3.231 -8.659 1.00 20.00 C HETATM 1354 C5 SUZ A 91 0.904 -3.390 -9.576 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.387 -2.647 -9.310 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.219 -2.913 -8.127 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.861 -3.962 -7.040 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.146 -4.936 -6.854 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.129 -5.690 -5.735 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.860 -5.525 -4.764 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.840 -6.294 -3.667 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.858 -4.576 -4.926 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.850 -3.811 -6.056 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.789 -2.702 -6.517 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.931 -2.247 -5.564 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.298 -2.449 -6.190 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.582 -1.791 -7.299 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.147 -3.195 -5.683 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.448 -2.173 -7.717 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.155 -1.094 -8.445 1.00 20.00 C HETATM 1371 C4 SUZ A 91 0.853 -4.513 -10.386 1.00 20.00 C HETATM 1372 C3 SUZ A 91 1.870 -5.506 -10.305 1.00 20.00 C HETATM 1373 C2 SUZ A 91 2.923 -5.352 -9.416 1.00 20.00 C HETATM 1374 S SUZ A 91 4.181 -6.542 -9.284 1.00 20.00 S HETATM 1375 O1 SUZ A 91 3.839 -7.607 -8.387 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.499 -5.608 -8.569 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.872 -2.808 -4.631 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.480 -0.251 -8.591 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.486 -1.466 -9.415 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -4.020 -0.770 -7.866 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.712 -1.887 -10.021 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.030 -4.637 -11.089 1.00 20.00 H new HETATM 0 H3 SUZ A 91 1.821 -6.389 -10.943 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.810 -4.080 -7.881 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.420 -6.189 -8.610 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.630 -4.680 -9.125 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.042 -2.349 -8.021 1.00 20.00 H new HETATM 0 H17 SUZ A 91 0.925 -5.076 -7.603 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.903 -6.443 -5.586 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.631 -4.444 -4.169 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.798 -1.195 -5.313 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.261 -5.378 -7.530 1.00 20.00 H new