USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN : amide:sc= -1.89 K(o=-3.6,f=-5.2) USER MOD Set 1.2: A 67 GLN : amide:sc= -1.74 K(o=-3.6,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 155:sc= -2.83 (180deg=-4.6!) USER MOD Single : A 7 THR OG1 : rot -101:sc= -0.716 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00129 USER MOD Single : A 17 LYS NZ :NH3+ -148:sc= -0.0244 (180deg=-0.925) USER MOD Single : A 19 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.049) USER MOD Single : A 20 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-3.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.088) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.238) USER MOD Single : A 33 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.005) USER MOD Single : A 58 GLN : amide:sc= -1.7 X(o=-1.7,f=-2.2) USER MOD Single : A 62 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 71 THR OG1 : rot 55:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.243 -0.656 -1.530 1.00 0.00 N ATOM 2 CA MET A 1 -1.128 -0.546 -2.464 1.00 0.00 C ATOM 3 C MET A 1 -0.588 -1.925 -2.829 1.00 0.00 C ATOM 4 O MET A 1 0.088 -2.570 -2.027 1.00 0.00 O ATOM 5 CB MET A 1 -0.012 0.309 -1.861 1.00 0.00 C ATOM 6 CG MET A 1 -0.375 1.779 -1.732 1.00 0.00 C ATOM 7 SD MET A 1 1.044 2.811 -1.318 1.00 0.00 S ATOM 8 CE MET A 1 0.741 3.123 0.419 1.00 0.00 C ATOM 0 H1 MET A 1 -2.595 0.294 -1.296 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.008 -1.210 -1.966 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.923 -1.131 -0.662 1.00 0.00 H new ATOM 0 HA MET A 1 -1.492 -0.066 -3.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.242 -0.082 -0.876 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.880 0.217 -2.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.810 2.125 -2.669 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.140 1.894 -0.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.537 3.751 0.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.216 3.631 0.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.718 2.177 0.960 1.00 0.00 H new ATOM 18 N ASP A 2 -0.890 -2.372 -4.043 1.00 0.00 N ATOM 19 CA ASP A 2 -0.434 -3.674 -4.514 1.00 0.00 C ATOM 20 C ASP A 2 0.382 -3.534 -5.795 1.00 0.00 C ATOM 21 O ASP A 2 -0.057 -2.901 -6.756 1.00 0.00 O ATOM 22 CB ASP A 2 -1.627 -4.601 -4.753 1.00 0.00 C ATOM 23 CG ASP A 2 -2.057 -5.328 -3.495 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.494 -6.405 -3.210 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.958 -4.820 -2.794 1.00 0.00 O ATOM 0 H ASP A 2 -1.449 -1.851 -4.719 1.00 0.00 H new ATOM 0 HA ASP A 2 0.204 -4.108 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.465 -4.019 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.368 -5.331 -5.520 1.00 0.00 H new ATOM 30 N ARG A 3 1.571 -4.127 -5.802 1.00 0.00 N ATOM 31 CA ARG A 3 2.449 -4.066 -6.964 1.00 0.00 C ATOM 32 C ARG A 3 2.446 -5.392 -7.719 1.00 0.00 C ATOM 33 O ARG A 3 2.436 -6.463 -7.111 1.00 0.00 O ATOM 34 CB ARG A 3 3.875 -3.715 -6.535 1.00 0.00 C ATOM 35 CG ARG A 3 4.082 -2.234 -6.260 1.00 0.00 C ATOM 36 CD ARG A 3 5.533 -1.927 -5.925 1.00 0.00 C ATOM 37 NE ARG A 3 5.756 -0.499 -5.717 1.00 0.00 N ATOM 38 CZ ARG A 3 6.928 0.019 -5.366 1.00 0.00 C ATOM 39 NH1 ARG A 3 7.977 -0.771 -5.184 1.00 0.00 N ATOM 40 NH2 ARG A 3 7.052 1.329 -5.195 1.00 0.00 N ATOM 0 H ARG A 3 1.949 -4.655 -5.016 1.00 0.00 H new ATOM 0 HA ARG A 3 2.075 -3.288 -7.629 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.125 -4.281 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.568 -4.031 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.779 -1.655 -7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.443 -1.924 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.821 -2.474 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.174 -2.280 -6.733 1.00 0.00 H new ATOM 0 HE ARG A 3 4.969 0.136 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.885 -1.779 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.876 -0.371 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.247 1.940 -5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.952 1.725 -4.925 1.00 0.00 H new ATOM 54 N ILE A 4 2.453 -5.312 -9.045 1.00 0.00 N ATOM 55 CA ILE A 4 2.452 -6.505 -9.882 1.00 0.00 C ATOM 56 C ILE A 4 3.405 -6.350 -11.062 1.00 0.00 C ATOM 57 O ILE A 4 3.135 -5.596 -11.997 1.00 0.00 O ATOM 58 CB ILE A 4 1.040 -6.818 -10.414 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.074 -7.053 -9.251 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.077 -8.030 -11.333 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.337 -7.370 -9.693 1.00 0.00 C ATOM 0 H ILE A 4 2.459 -4.433 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 4 2.787 -7.331 -9.254 1.00 0.00 H new ATOM 0 HB ILE A 4 0.686 -5.962 -10.988 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.448 -7.874 -8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.057 -6.166 -8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.072 -8.239 -11.701 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.737 -7.827 -12.176 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.448 -8.894 -10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.967 -7.525 -8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.730 -6.540 -10.280 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.333 -8.275 -10.301 1.00 0.00 H new ATOM 73 N PHE A 5 4.520 -7.071 -11.013 1.00 0.00 N ATOM 74 CA PHE A 5 5.514 -7.015 -12.079 1.00 0.00 C ATOM 75 C PHE A 5 5.206 -8.042 -13.165 1.00 0.00 C ATOM 76 O PHE A 5 5.325 -9.247 -12.946 1.00 0.00 O ATOM 77 CB PHE A 5 6.914 -7.259 -11.513 1.00 0.00 C ATOM 78 CG PHE A 5 7.493 -6.065 -10.810 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.864 -5.526 -9.699 1.00 0.00 C ATOM 80 CD2 PHE A 5 8.666 -5.481 -11.259 1.00 0.00 C ATOM 81 CE1 PHE A 5 7.394 -4.427 -9.049 1.00 0.00 C ATOM 82 CE2 PHE A 5 9.201 -4.382 -10.613 1.00 0.00 C ATOM 83 CZ PHE A 5 8.564 -3.854 -9.507 1.00 0.00 C ATOM 0 H PHE A 5 4.758 -7.701 -10.247 1.00 0.00 H new ATOM 0 HA PHE A 5 5.478 -6.020 -12.524 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.875 -8.097 -10.817 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.580 -7.551 -12.325 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.949 -5.970 -9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.168 -5.889 -12.124 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.894 -4.017 -8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.117 -3.937 -10.973 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.980 -2.995 -9.002 1.00 0.00 H new ATOM 93 N MET A 6 4.808 -7.555 -14.336 1.00 0.00 N ATOM 94 CA MET A 6 4.483 -8.430 -15.456 1.00 0.00 C ATOM 95 C MET A 6 5.446 -8.208 -16.617 1.00 0.00 C ATOM 96 O MET A 6 5.893 -7.086 -16.861 1.00 0.00 O ATOM 97 CB MET A 6 3.044 -8.189 -15.918 1.00 0.00 C ATOM 98 CG MET A 6 2.028 -9.089 -15.235 1.00 0.00 C ATOM 99 SD MET A 6 0.332 -8.521 -15.465 1.00 0.00 S ATOM 100 CE MET A 6 -0.508 -9.429 -14.170 1.00 0.00 C ATOM 0 H MET A 6 4.703 -6.560 -14.534 1.00 0.00 H new ATOM 0 HA MET A 6 4.581 -9.462 -15.119 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.780 -7.148 -15.730 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.987 -8.342 -16.996 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.124 -10.102 -15.627 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.250 -9.137 -14.169 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.414 -8.897 -13.881 1.00 0.00 H new ATOM 0 HE2 MET A 6 -0.771 -10.422 -14.534 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.149 -9.522 -13.305 1.00 0.00 H new ATOM 110 N THR A 7 5.764 -9.283 -17.332 1.00 0.00 N ATOM 111 CA THR A 7 6.676 -9.205 -18.466 1.00 0.00 C ATOM 112 C THR A 7 5.946 -8.758 -19.728 1.00 0.00 C ATOM 113 O THR A 7 4.746 -8.485 -19.699 1.00 0.00 O ATOM 114 CB THR A 7 7.357 -10.561 -18.733 1.00 0.00 C ATOM 115 OG1 THR A 7 6.369 -11.592 -18.841 1.00 0.00 O ATOM 116 CG2 THR A 7 8.336 -10.903 -17.620 1.00 0.00 C ATOM 0 H THR A 7 5.403 -10.218 -17.145 1.00 0.00 H new ATOM 0 HA THR A 7 7.438 -8.469 -18.210 1.00 0.00 H new ATOM 0 HB THR A 7 7.909 -10.488 -19.670 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.328 -12.095 -18.001 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.805 -11.864 -17.830 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.103 -10.131 -17.560 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.803 -10.959 -16.671 1.00 0.00 H new ATOM 124 N ARG A 8 6.679 -8.686 -20.835 1.00 0.00 N ATOM 125 CA ARG A 8 6.101 -8.272 -22.107 1.00 0.00 C ATOM 126 C ARG A 8 4.851 -9.087 -22.428 1.00 0.00 C ATOM 127 O ARG A 8 3.822 -8.538 -22.821 1.00 0.00 O ATOM 128 CB ARG A 8 7.126 -8.427 -23.232 1.00 0.00 C ATOM 129 CG ARG A 8 7.770 -9.803 -23.285 1.00 0.00 C ATOM 130 CD ARG A 8 8.933 -9.837 -24.264 1.00 0.00 C ATOM 131 NE ARG A 8 9.787 -11.003 -24.058 1.00 0.00 N ATOM 132 CZ ARG A 8 9.491 -12.219 -24.506 1.00 0.00 C ATOM 133 NH1 ARG A 8 8.369 -12.425 -25.180 1.00 0.00 N ATOM 134 NH2 ARG A 8 10.320 -13.230 -24.279 1.00 0.00 N ATOM 0 H ARG A 8 7.673 -8.909 -20.876 1.00 0.00 H new ATOM 0 HA ARG A 8 5.818 -7.223 -22.024 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.639 -8.226 -24.186 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.905 -7.675 -23.108 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.122 -10.080 -22.291 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.025 -10.543 -23.577 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.548 -9.845 -25.284 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.526 -8.929 -24.154 1.00 0.00 H new ATOM 0 HE ARG A 8 10.658 -10.878 -23.542 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.730 -11.650 -25.356 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.144 -13.359 -25.523 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.185 -13.074 -23.761 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.093 -14.163 -24.623 1.00 0.00 H new ATOM 148 N THR A 9 4.949 -10.402 -22.259 1.00 0.00 N ATOM 149 CA THR A 9 3.829 -11.293 -22.532 1.00 0.00 C ATOM 150 C THR A 9 2.805 -11.251 -21.404 1.00 0.00 C ATOM 151 O THR A 9 1.601 -11.180 -21.649 1.00 0.00 O ATOM 152 CB THR A 9 4.301 -12.746 -22.727 1.00 0.00 C ATOM 153 OG1 THR A 9 5.582 -12.763 -23.368 1.00 0.00 O ATOM 154 CG2 THR A 9 3.301 -13.533 -23.561 1.00 0.00 C ATOM 0 H THR A 9 5.793 -10.873 -21.934 1.00 0.00 H new ATOM 0 HA THR A 9 3.365 -10.943 -23.454 1.00 0.00 H new ATOM 0 HB THR A 9 4.379 -13.214 -21.746 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.876 -13.690 -23.487 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.656 -14.556 -23.685 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.335 -13.543 -23.057 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.195 -13.065 -24.539 1.00 0.00 H new ATOM 162 N GLU A 10 3.292 -11.295 -20.167 1.00 0.00 N ATOM 163 CA GLU A 10 2.417 -11.262 -19.001 1.00 0.00 C ATOM 164 C GLU A 10 1.595 -9.977 -18.974 1.00 0.00 C ATOM 165 O GLU A 10 0.564 -9.901 -18.307 1.00 0.00 O ATOM 166 CB GLU A 10 3.238 -11.382 -17.716 1.00 0.00 C ATOM 167 CG GLU A 10 2.672 -12.383 -16.723 1.00 0.00 C ATOM 168 CD GLU A 10 2.643 -13.797 -17.272 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.627 -14.170 -17.894 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.636 -14.529 -17.080 1.00 0.00 O ATOM 0 H GLU A 10 4.286 -11.353 -19.947 1.00 0.00 H new ATOM 0 HA GLU A 10 1.734 -12.109 -19.067 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.257 -11.673 -17.972 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.296 -10.403 -17.239 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.270 -12.363 -15.812 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.661 -12.084 -16.447 1.00 0.00 H new ATOM 177 N ALA A 11 2.060 -8.968 -19.704 1.00 0.00 N ATOM 178 CA ALA A 11 1.368 -7.687 -19.766 1.00 0.00 C ATOM 179 C ALA A 11 -0.110 -7.876 -20.090 1.00 0.00 C ATOM 180 O ALA A 11 -0.953 -7.076 -19.682 1.00 0.00 O ATOM 181 CB ALA A 11 2.025 -6.781 -20.797 1.00 0.00 C ATOM 0 H ALA A 11 2.913 -9.014 -20.261 1.00 0.00 H new ATOM 0 HA ALA A 11 1.440 -7.216 -18.786 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.498 -5.828 -20.832 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.065 -6.610 -20.521 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.983 -7.255 -21.777 1.00 0.00 H new ATOM 187 N LEU A 12 -0.418 -8.938 -20.827 1.00 0.00 N ATOM 188 CA LEU A 12 -1.795 -9.232 -21.207 1.00 0.00 C ATOM 189 C LEU A 12 -2.714 -9.204 -19.989 1.00 0.00 C ATOM 190 O LEU A 12 -3.835 -8.701 -20.057 1.00 0.00 O ATOM 191 CB LEU A 12 -1.876 -10.598 -21.890 1.00 0.00 C ATOM 192 CG LEU A 12 -0.971 -10.794 -23.107 1.00 0.00 C ATOM 193 CD1 LEU A 12 -0.576 -12.256 -23.248 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.661 -10.302 -24.370 1.00 0.00 C ATOM 0 H LEU A 12 0.267 -9.609 -21.173 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.125 -8.463 -21.906 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.633 -11.365 -21.154 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.908 -10.767 -22.198 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.065 -10.206 -22.960 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.068 -12.377 -24.119 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.041 -12.576 -22.354 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.472 -12.865 -23.372 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.002 -10.449 -25.226 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.584 -10.862 -24.522 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.892 -9.242 -24.269 1.00 0.00 H new ATOM 206 N GLU A 13 -2.230 -9.747 -18.877 1.00 0.00 N ATOM 207 CA GLU A 13 -3.008 -9.784 -17.644 1.00 0.00 C ATOM 208 C GLU A 13 -3.267 -8.373 -17.122 1.00 0.00 C ATOM 209 O GLU A 13 -4.324 -8.092 -16.557 1.00 0.00 O ATOM 210 CB GLU A 13 -2.280 -10.607 -16.579 1.00 0.00 C ATOM 211 CG GLU A 13 -2.612 -12.089 -16.624 1.00 0.00 C ATOM 212 CD GLU A 13 -4.099 -12.358 -16.494 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.674 -12.012 -15.441 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.687 -12.914 -17.445 1.00 0.00 O ATOM 0 H GLU A 13 -1.303 -10.167 -18.804 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.967 -10.254 -17.864 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.205 -10.480 -16.706 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.533 -10.216 -15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.251 -12.510 -17.562 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.082 -12.601 -15.820 1.00 0.00 H new ATOM 221 N PHE A 14 -2.293 -7.489 -17.316 1.00 0.00 N ATOM 222 CA PHE A 14 -2.414 -6.108 -16.864 1.00 0.00 C ATOM 223 C PHE A 14 -3.456 -5.356 -17.686 1.00 0.00 C ATOM 224 O PHE A 14 -4.335 -4.690 -17.136 1.00 0.00 O ATOM 225 CB PHE A 14 -1.062 -5.397 -16.961 1.00 0.00 C ATOM 226 CG PHE A 14 -1.150 -3.911 -16.762 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.950 -3.379 -15.764 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.433 -3.047 -17.574 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.034 -2.012 -15.580 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.513 -1.679 -17.394 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.313 -1.160 -16.395 1.00 0.00 C ATOM 0 H PHE A 14 -1.412 -7.705 -17.783 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.737 -6.120 -15.823 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.386 -5.816 -16.215 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.624 -5.599 -17.938 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.514 -4.040 -15.123 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.195 -3.447 -18.356 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.663 -1.610 -14.800 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.050 -1.016 -18.034 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.375 -0.091 -16.251 1.00 0.00 H new ATOM 241 N LEU A 15 -3.352 -5.466 -19.006 1.00 0.00 N ATOM 242 CA LEU A 15 -4.285 -4.796 -19.905 1.00 0.00 C ATOM 243 C LEU A 15 -5.662 -5.450 -19.846 1.00 0.00 C ATOM 244 O LEU A 15 -6.676 -4.815 -20.141 1.00 0.00 O ATOM 245 CB LEU A 15 -3.754 -4.829 -21.339 1.00 0.00 C ATOM 246 CG LEU A 15 -3.424 -6.212 -21.902 1.00 0.00 C ATOM 247 CD1 LEU A 15 -4.680 -6.885 -22.432 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.372 -6.105 -22.996 1.00 0.00 C ATOM 0 H LEU A 15 -2.631 -6.013 -19.477 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.381 -3.759 -19.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.493 -4.361 -21.989 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.854 -4.216 -21.386 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.020 -6.825 -21.096 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.426 -7.868 -22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.402 -6.995 -21.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.113 -6.275 -23.224 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.149 -7.099 -23.385 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.748 -5.475 -23.802 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.464 -5.664 -22.585 1.00 0.00 H new ATOM 260 N LEU A 16 -5.692 -6.721 -19.462 1.00 0.00 N ATOM 261 CA LEU A 16 -6.945 -7.461 -19.362 1.00 0.00 C ATOM 262 C LEU A 16 -7.631 -7.192 -18.026 1.00 0.00 C ATOM 263 O LEU A 16 -8.858 -7.122 -17.948 1.00 0.00 O ATOM 264 CB LEU A 16 -6.690 -8.960 -19.525 1.00 0.00 C ATOM 265 CG LEU A 16 -7.925 -9.861 -19.478 1.00 0.00 C ATOM 266 CD1 LEU A 16 -8.835 -9.580 -20.663 1.00 0.00 C ATOM 267 CD2 LEU A 16 -7.516 -11.326 -19.453 1.00 0.00 C ATOM 0 H LEU A 16 -4.863 -7.261 -19.215 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.603 -7.122 -20.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.184 -9.121 -20.477 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.003 -9.278 -18.741 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.476 -9.643 -18.563 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.708 -10.230 -20.613 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.156 -8.539 -20.637 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.294 -9.770 -21.590 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.408 -11.952 -19.420 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.942 -11.559 -20.350 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.905 -11.518 -18.571 1.00 0.00 H new ATOM 279 N LYS A 17 -6.831 -7.041 -16.976 1.00 0.00 N ATOM 280 CA LYS A 17 -7.359 -6.776 -15.643 1.00 0.00 C ATOM 281 C LYS A 17 -7.629 -5.288 -15.451 1.00 0.00 C ATOM 282 O LYS A 17 -8.472 -4.900 -14.643 1.00 0.00 O ATOM 283 CB LYS A 17 -6.378 -7.269 -14.577 1.00 0.00 C ATOM 284 CG LYS A 17 -5.172 -6.364 -14.395 1.00 0.00 C ATOM 285 CD LYS A 17 -4.062 -7.062 -13.627 1.00 0.00 C ATOM 286 CE LYS A 17 -4.517 -7.466 -12.233 1.00 0.00 C ATOM 287 NZ LYS A 17 -4.941 -6.289 -11.425 1.00 0.00 N ATOM 0 H LYS A 17 -5.814 -7.098 -17.023 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.301 -7.314 -15.538 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.902 -7.357 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.035 -8.268 -14.845 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.800 -6.052 -15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.471 -5.460 -13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.739 -7.947 -14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.199 -6.401 -13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.345 -8.170 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.705 -7.984 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.727 -6.461 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.429 -5.443 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.964 -6.139 -11.540 1.00 0.00 H new ATOM 301 N ALA A 18 -6.909 -4.458 -16.199 1.00 0.00 N ATOM 302 CA ALA A 18 -7.075 -3.013 -16.113 1.00 0.00 C ATOM 303 C ALA A 18 -8.507 -2.604 -16.439 1.00 0.00 C ATOM 304 O ALA A 18 -9.126 -1.834 -15.704 1.00 0.00 O ATOM 305 CB ALA A 18 -6.098 -2.313 -17.047 1.00 0.00 C ATOM 0 H ALA A 18 -6.205 -4.762 -16.871 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.863 -2.708 -15.088 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.233 -1.234 -16.973 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.077 -2.571 -16.766 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.283 -2.632 -18.073 1.00 0.00 H new ATOM 311 N HIS A 19 -9.029 -3.123 -17.547 1.00 0.00 N ATOM 312 CA HIS A 19 -10.389 -2.811 -17.970 1.00 0.00 C ATOM 313 C HIS A 19 -11.402 -3.272 -16.926 1.00 0.00 C ATOM 314 O HIS A 19 -12.318 -2.532 -16.568 1.00 0.00 O ATOM 315 CB HIS A 19 -10.690 -3.470 -19.316 1.00 0.00 C ATOM 316 CG HIS A 19 -10.236 -2.662 -20.493 1.00 0.00 C ATOM 317 ND1 HIS A 19 -10.337 -3.107 -21.795 1.00 0.00 N ATOM 318 CD2 HIS A 19 -9.677 -1.432 -20.560 1.00 0.00 C ATOM 319 CE1 HIS A 19 -9.858 -2.185 -22.611 1.00 0.00 C ATOM 320 NE2 HIS A 19 -9.451 -1.158 -21.886 1.00 0.00 N ATOM 0 H HIS A 19 -8.530 -3.761 -18.167 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.471 -1.729 -18.077 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.208 -4.447 -19.349 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.764 -3.641 -19.396 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.451 -0.785 -19.725 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.808 -2.258 -23.687 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.036 -0.301 -22.252 1.00 0.00 H new ATOM 328 N GLN A 20 -11.231 -4.499 -16.444 1.00 0.00 N ATOM 329 CA GLN A 20 -12.131 -5.058 -15.443 1.00 0.00 C ATOM 330 C GLN A 20 -12.234 -4.141 -14.229 1.00 0.00 C ATOM 331 O GLN A 20 -13.309 -3.972 -13.654 1.00 0.00 O ATOM 332 CB GLN A 20 -11.649 -6.444 -15.010 1.00 0.00 C ATOM 333 CG GLN A 20 -12.757 -7.332 -14.467 1.00 0.00 C ATOM 334 CD GLN A 20 -13.664 -7.866 -15.558 1.00 0.00 C ATOM 335 OE1 GLN A 20 -13.586 -7.439 -16.711 1.00 0.00 O ATOM 336 NE2 GLN A 20 -14.532 -8.804 -15.200 1.00 0.00 N ATOM 0 H GLN A 20 -10.478 -5.124 -16.731 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.120 -5.148 -15.892 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.182 -6.939 -15.861 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.879 -6.330 -14.247 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.315 -8.168 -13.926 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.352 -6.767 -13.750 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.562 -9.129 -14.233 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.169 -9.200 -15.891 1.00 0.00 H new ATOM 345 N THR A 21 -11.107 -3.549 -13.844 1.00 0.00 N ATOM 346 CA THR A 21 -11.069 -2.649 -12.698 1.00 0.00 C ATOM 347 C THR A 21 -11.643 -1.282 -13.053 1.00 0.00 C ATOM 348 O THR A 21 -12.326 -0.656 -12.243 1.00 0.00 O ATOM 349 CB THR A 21 -9.633 -2.469 -12.172 1.00 0.00 C ATOM 350 OG1 THR A 21 -8.933 -3.718 -12.222 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.641 -1.943 -10.745 1.00 0.00 C ATOM 0 H THR A 21 -10.208 -3.677 -14.310 1.00 0.00 H new ATOM 0 HA THR A 21 -11.679 -3.105 -11.918 1.00 0.00 H new ATOM 0 HB THR A 21 -9.125 -1.743 -12.807 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.709 -3.931 -13.152 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.615 -1.824 -10.395 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.149 -0.979 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.165 -2.649 -10.100 1.00 0.00 H new ATOM 359 N ALA A 22 -11.362 -0.825 -14.269 1.00 0.00 N ATOM 360 CA ALA A 22 -11.853 0.467 -14.732 1.00 0.00 C ATOM 361 C ALA A 22 -13.372 0.462 -14.861 1.00 0.00 C ATOM 362 O ALA A 22 -14.015 1.509 -14.784 1.00 0.00 O ATOM 363 CB ALA A 22 -11.209 0.831 -16.061 1.00 0.00 C ATOM 0 H ALA A 22 -10.797 -1.331 -14.951 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.580 1.219 -13.991 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.585 1.798 -16.395 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.127 0.885 -15.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.453 0.071 -16.804 1.00 0.00 H new ATOM 369 N VAL A 23 -13.941 -0.722 -15.061 1.00 0.00 N ATOM 370 CA VAL A 23 -15.385 -0.863 -15.201 1.00 0.00 C ATOM 371 C VAL A 23 -16.066 -0.934 -13.839 1.00 0.00 C ATOM 372 O VAL A 23 -17.237 -0.581 -13.699 1.00 0.00 O ATOM 373 CB VAL A 23 -15.751 -2.121 -16.012 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.261 -2.258 -16.134 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.098 -2.078 -17.385 1.00 0.00 C ATOM 0 H VAL A 23 -13.423 -1.598 -15.130 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.738 0.020 -15.734 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.373 -2.996 -15.483 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.500 -3.152 -16.710 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.701 -2.339 -15.140 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.666 -1.382 -16.640 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.367 -2.974 -17.944 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.443 -1.196 -17.925 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.015 -2.033 -17.272 1.00 0.00 H new ATOM 385 N ASP A 24 -15.324 -1.393 -12.837 1.00 0.00 N ATOM 386 CA ASP A 24 -15.855 -1.509 -11.484 1.00 0.00 C ATOM 387 C ASP A 24 -16.106 -0.132 -10.878 1.00 0.00 C ATOM 388 O ASP A 24 -17.180 0.135 -10.338 1.00 0.00 O ATOM 389 CB ASP A 24 -14.889 -2.300 -10.600 1.00 0.00 C ATOM 390 CG ASP A 24 -15.176 -2.120 -9.122 1.00 0.00 C ATOM 391 OD1 ASP A 24 -16.365 -2.159 -8.739 1.00 0.00 O ATOM 392 OD2 ASP A 24 -14.213 -1.941 -8.349 1.00 0.00 O ATOM 0 H ASP A 24 -14.353 -1.691 -12.936 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.805 -2.041 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.953 -3.358 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.867 -1.984 -10.810 1.00 0.00 H new ATOM 397 N LYS A 25 -15.108 0.740 -10.971 1.00 0.00 N ATOM 398 CA LYS A 25 -15.219 2.091 -10.433 1.00 0.00 C ATOM 399 C LYS A 25 -16.443 2.803 -10.999 1.00 0.00 C ATOM 400 O LYS A 25 -17.116 3.557 -10.295 1.00 0.00 O ATOM 401 CB LYS A 25 -13.956 2.894 -10.751 1.00 0.00 C ATOM 402 CG LYS A 25 -13.579 2.878 -12.222 1.00 0.00 C ATOM 403 CD LYS A 25 -12.337 3.712 -12.489 1.00 0.00 C ATOM 404 CE LYS A 25 -12.680 5.184 -12.660 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.487 5.990 -13.041 1.00 0.00 N ATOM 0 H LYS A 25 -14.212 0.535 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.332 2.016 -9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.102 3.926 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.126 2.496 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.404 1.851 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.409 3.260 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.634 3.595 -11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.838 3.347 -13.387 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.450 5.291 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.098 5.570 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.762 6.987 -13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.762 5.908 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.103 5.638 -13.941 1.00 0.00 H new ATOM 419 N ILE A 26 -16.727 2.558 -12.274 1.00 0.00 N ATOM 420 CA ILE A 26 -17.872 3.175 -12.933 1.00 0.00 C ATOM 421 C ILE A 26 -19.183 2.597 -12.412 1.00 0.00 C ATOM 422 O ILE A 26 -20.231 3.237 -12.490 1.00 0.00 O ATOM 423 CB ILE A 26 -17.811 2.986 -14.460 1.00 0.00 C ATOM 424 CG1 ILE A 26 -16.508 3.564 -15.016 1.00 0.00 C ATOM 425 CG2 ILE A 26 -19.013 3.642 -15.123 1.00 0.00 C ATOM 426 CD1 ILE A 26 -16.376 5.058 -14.817 1.00 0.00 C ATOM 0 H ILE A 26 -16.180 1.937 -12.871 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.832 4.240 -12.705 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.836 1.919 -14.680 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.665 3.066 -14.536 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.446 3.341 -16.081 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.956 3.500 -16.202 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -19.929 3.188 -14.745 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -19.016 4.708 -14.897 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.429 5.398 -15.235 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.199 5.566 -15.320 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.405 5.287 -13.752 1.00 0.00 H new ATOM 438 N GLY A 27 -19.117 1.380 -11.879 1.00 0.00 N ATOM 439 CA GLY A 27 -20.305 0.736 -11.351 1.00 0.00 C ATOM 440 C GLY A 27 -21.267 0.310 -12.443 1.00 0.00 C ATOM 441 O GLY A 27 -22.480 0.277 -12.234 1.00 0.00 O ATOM 0 H GLY A 27 -18.262 0.829 -11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.013 -0.137 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.813 1.419 -10.670 1.00 0.00 H new ATOM 445 N HIS A 28 -20.725 -0.017 -13.612 1.00 0.00 N ATOM 446 CA HIS A 28 -21.544 -0.442 -14.742 1.00 0.00 C ATOM 447 C HIS A 28 -22.437 -1.617 -14.354 1.00 0.00 C ATOM 448 O HIS A 28 -22.155 -2.357 -13.411 1.00 0.00 O ATOM 449 CB HIS A 28 -20.657 -0.829 -15.925 1.00 0.00 C ATOM 450 CG HIS A 28 -20.295 0.327 -16.806 1.00 0.00 C ATOM 451 ND1 HIS A 28 -21.207 0.971 -17.615 1.00 0.00 N ATOM 452 CD2 HIS A 28 -19.112 0.956 -17.000 1.00 0.00 C ATOM 453 CE1 HIS A 28 -20.600 1.945 -18.270 1.00 0.00 C ATOM 454 NE2 HIS A 28 -19.328 1.957 -17.914 1.00 0.00 N ATOM 0 H HIS A 28 -19.723 0.004 -13.802 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.180 0.394 -15.033 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.743 -1.288 -15.548 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.170 -1.583 -16.522 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -18.173 0.715 -16.524 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.065 2.617 -18.976 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -18.621 2.605 -18.262 1.00 0.00 H new ATOM 462 N PRO A 29 -23.539 -1.794 -15.097 1.00 0.00 N ATOM 463 CA PRO A 29 -24.495 -2.878 -14.849 1.00 0.00 C ATOM 464 C PRO A 29 -23.922 -4.247 -15.198 1.00 0.00 C ATOM 465 O PRO A 29 -22.868 -4.348 -15.826 1.00 0.00 O ATOM 466 CB PRO A 29 -25.666 -2.536 -15.774 1.00 0.00 C ATOM 467 CG PRO A 29 -25.060 -1.726 -16.868 1.00 0.00 C ATOM 468 CD PRO A 29 -23.938 -0.950 -16.236 1.00 0.00 C ATOM 0 HA PRO A 29 -24.771 -2.946 -13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.139 -3.437 -16.164 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.437 -1.975 -15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.689 -2.366 -17.668 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.797 -1.056 -17.311 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.113 -0.798 -16.932 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.266 0.037 -15.909 1.00 0.00 H new ATOM 476 N SER A 30 -24.623 -5.299 -14.787 1.00 0.00 N ATOM 477 CA SER A 30 -24.182 -6.663 -15.054 1.00 0.00 C ATOM 478 C SER A 30 -25.209 -7.412 -15.897 1.00 0.00 C ATOM 479 O SER A 30 -25.250 -8.642 -15.899 1.00 0.00 O ATOM 480 CB SER A 30 -23.942 -7.410 -13.740 1.00 0.00 C ATOM 481 OG SER A 30 -25.142 -7.986 -13.255 1.00 0.00 O ATOM 0 H SER A 30 -25.499 -5.233 -14.268 1.00 0.00 H new ATOM 0 HA SER A 30 -23.247 -6.613 -15.612 1.00 0.00 H new ATOM 0 HB2 SER A 30 -23.196 -8.190 -13.892 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.538 -6.723 -12.996 1.00 0.00 H new ATOM 0 HG SER A 30 -24.962 -8.459 -12.416 1.00 0.00 H new ATOM 487 N HIS A 31 -26.039 -6.659 -16.613 1.00 0.00 N ATOM 488 CA HIS A 31 -27.068 -7.251 -17.461 1.00 0.00 C ATOM 489 C HIS A 31 -26.453 -8.227 -18.460 1.00 0.00 C ATOM 490 O HIS A 31 -25.238 -8.246 -18.658 1.00 0.00 O ATOM 491 CB HIS A 31 -27.835 -6.158 -18.206 1.00 0.00 C ATOM 492 CG HIS A 31 -29.217 -6.567 -18.613 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.736 -6.320 -19.867 1.00 0.00 N ATOM 494 CD2 HIS A 31 -30.188 -7.212 -17.926 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.968 -6.793 -19.931 1.00 0.00 C ATOM 496 NE2 HIS A 31 -31.266 -7.340 -18.767 1.00 0.00 N ATOM 0 H HIS A 31 -26.019 -5.639 -16.623 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.760 -7.800 -16.822 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.899 -5.274 -17.572 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -27.273 -5.873 -19.095 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.127 -7.561 -16.906 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.621 -6.741 -20.790 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -32.153 -7.785 -18.531 1.00 0.00 H new ATOM 504 N LYS A 32 -27.300 -9.038 -19.085 1.00 0.00 N ATOM 505 CA LYS A 32 -26.842 -10.018 -20.062 1.00 0.00 C ATOM 506 C LYS A 32 -26.020 -9.348 -21.159 1.00 0.00 C ATOM 507 O LYS A 32 -26.216 -8.172 -21.463 1.00 0.00 O ATOM 508 CB LYS A 32 -28.035 -10.750 -20.680 1.00 0.00 C ATOM 509 CG LYS A 32 -27.655 -12.028 -21.406 1.00 0.00 C ATOM 510 CD LYS A 32 -28.850 -12.953 -21.569 1.00 0.00 C ATOM 511 CE LYS A 32 -29.715 -12.544 -22.751 1.00 0.00 C ATOM 512 NZ LYS A 32 -29.040 -12.811 -24.051 1.00 0.00 N ATOM 0 H LYS A 32 -28.308 -9.036 -18.932 1.00 0.00 H new ATOM 0 HA LYS A 32 -26.209 -10.740 -19.546 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -28.751 -10.988 -19.894 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -28.539 -10.081 -21.378 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -27.247 -11.783 -22.387 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -26.869 -12.542 -20.853 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -28.503 -13.977 -21.708 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -29.448 -12.940 -20.658 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -30.660 -13.086 -22.714 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -29.953 -11.483 -22.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -29.746 -12.813 -24.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -28.334 -12.070 -24.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -28.568 -13.737 -24.013 1.00 0.00 H new ATOM 526 N GLN A 33 -25.101 -10.105 -21.750 1.00 0.00 N ATOM 527 CA GLN A 33 -24.251 -9.584 -22.813 1.00 0.00 C ATOM 528 C GLN A 33 -25.090 -8.996 -23.943 1.00 0.00 C ATOM 529 O GLN A 33 -26.285 -9.274 -24.053 1.00 0.00 O ATOM 530 CB GLN A 33 -23.344 -10.689 -23.358 1.00 0.00 C ATOM 531 CG GLN A 33 -22.146 -10.986 -22.470 1.00 0.00 C ATOM 532 CD GLN A 33 -22.495 -11.884 -21.300 1.00 0.00 C ATOM 533 OE1 GLN A 33 -22.513 -11.446 -20.150 1.00 0.00 O ATOM 534 NE2 GLN A 33 -22.775 -13.150 -21.589 1.00 0.00 N ATOM 0 H GLN A 33 -24.926 -11.081 -21.510 1.00 0.00 H new ATOM 0 HA GLN A 33 -23.633 -8.790 -22.393 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -23.929 -11.600 -23.481 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.990 -10.402 -24.348 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -21.365 -11.459 -23.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.736 -10.049 -22.094 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -22.748 -13.470 -22.557 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.017 -13.802 -20.843 1.00 0.00 H new ATOM 543 N THR A 34 -24.458 -8.181 -24.781 1.00 0.00 N ATOM 544 CA THR A 34 -25.147 -7.552 -25.901 1.00 0.00 C ATOM 545 C THR A 34 -24.279 -7.560 -27.155 1.00 0.00 C ATOM 546 O THR A 34 -23.057 -7.696 -27.092 1.00 0.00 O ATOM 547 CB THR A 34 -25.542 -6.100 -25.574 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.592 -5.525 -24.670 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.933 -6.043 -24.960 1.00 0.00 C ATOM 0 H THR A 34 -23.470 -7.941 -24.705 1.00 0.00 H new ATOM 0 HA THR A 34 -26.050 -8.134 -26.083 1.00 0.00 H new ATOM 0 HB THR A 34 -25.549 -5.531 -26.503 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.850 -4.601 -24.469 1.00 0.00 H new ATOM 0 HG21 THR A 34 -27.190 -5.007 -24.737 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.658 -6.454 -25.663 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.949 -6.627 -24.040 1.00 0.00 H new ATOM 557 N PRO A 35 -24.923 -7.410 -28.322 1.00 0.00 N ATOM 558 CA PRO A 35 -24.228 -7.396 -29.613 1.00 0.00 C ATOM 559 C PRO A 35 -23.386 -6.139 -29.804 1.00 0.00 C ATOM 560 O PRO A 35 -22.404 -6.146 -30.545 1.00 0.00 O ATOM 561 CB PRO A 35 -25.371 -7.433 -30.630 1.00 0.00 C ATOM 562 CG PRO A 35 -26.537 -6.847 -29.913 1.00 0.00 C ATOM 563 CD PRO A 35 -26.378 -7.243 -28.471 1.00 0.00 C ATOM 0 HA PRO A 35 -23.527 -8.225 -29.708 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.125 -6.857 -31.522 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.578 -8.452 -30.955 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.556 -5.762 -30.020 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.475 -7.224 -30.320 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.766 -6.477 -27.799 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.914 -8.165 -28.246 1.00 0.00 H new ATOM 571 N ALA A 36 -23.777 -5.062 -29.130 1.00 0.00 N ATOM 572 CA ALA A 36 -23.056 -3.799 -29.224 1.00 0.00 C ATOM 573 C ALA A 36 -21.679 -3.903 -28.577 1.00 0.00 C ATOM 574 O ALA A 36 -20.732 -3.239 -28.999 1.00 0.00 O ATOM 575 CB ALA A 36 -23.862 -2.682 -28.578 1.00 0.00 C ATOM 0 H ALA A 36 -24.589 -5.039 -28.513 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.916 -3.567 -30.280 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.312 -1.744 -28.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.820 -2.583 -29.088 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -24.032 -2.917 -27.527 1.00 0.00 H new ATOM 581 N ASP A 37 -21.576 -4.739 -27.550 1.00 0.00 N ATOM 582 CA ASP A 37 -20.314 -4.930 -26.844 1.00 0.00 C ATOM 583 C ASP A 37 -19.225 -5.412 -27.798 1.00 0.00 C ATOM 584 O ASP A 37 -18.041 -5.143 -27.592 1.00 0.00 O ATOM 585 CB ASP A 37 -20.490 -5.933 -25.702 1.00 0.00 C ATOM 586 CG ASP A 37 -19.539 -5.672 -24.551 1.00 0.00 C ATOM 587 OD1 ASP A 37 -18.346 -6.017 -24.678 1.00 0.00 O ATOM 588 OD2 ASP A 37 -19.988 -5.125 -23.522 1.00 0.00 O ATOM 0 H ASP A 37 -22.351 -5.295 -27.188 1.00 0.00 H new ATOM 0 HA ASP A 37 -20.009 -3.969 -26.429 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -21.517 -5.889 -25.338 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.329 -6.942 -26.081 1.00 0.00 H new ATOM 593 N HIS A 38 -19.634 -6.128 -28.840 1.00 0.00 N ATOM 594 CA HIS A 38 -18.693 -6.649 -29.826 1.00 0.00 C ATOM 595 C HIS A 38 -17.825 -5.530 -30.393 1.00 0.00 C ATOM 596 O HIS A 38 -16.691 -5.762 -30.810 1.00 0.00 O ATOM 597 CB HIS A 38 -19.444 -7.351 -30.958 1.00 0.00 C ATOM 598 CG HIS A 38 -20.043 -8.664 -30.556 1.00 0.00 C ATOM 599 ND1 HIS A 38 -21.217 -9.151 -31.091 1.00 0.00 N ATOM 600 CD2 HIS A 38 -19.623 -9.593 -29.666 1.00 0.00 C ATOM 601 CE1 HIS A 38 -21.494 -10.322 -30.546 1.00 0.00 C ATOM 602 NE2 HIS A 38 -20.542 -10.614 -29.678 1.00 0.00 N ATOM 0 H HIS A 38 -20.610 -6.361 -29.024 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.045 -7.370 -29.328 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.236 -6.695 -31.319 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.760 -7.513 -31.791 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.731 -9.541 -29.059 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -22.353 -10.936 -30.772 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -20.497 -11.460 -29.109 1.00 0.00 H new ATOM 610 N ALA A 39 -18.366 -4.316 -30.405 1.00 0.00 N ATOM 611 CA ALA A 39 -17.640 -3.161 -30.919 1.00 0.00 C ATOM 612 C ALA A 39 -16.368 -2.911 -30.117 1.00 0.00 C ATOM 613 O ALA A 39 -15.375 -2.417 -30.649 1.00 0.00 O ATOM 614 CB ALA A 39 -18.530 -1.927 -30.899 1.00 0.00 C ATOM 0 H ALA A 39 -19.305 -4.107 -30.065 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.353 -3.372 -31.949 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.975 -1.072 -31.285 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.408 -2.101 -31.521 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.845 -1.722 -29.876 1.00 0.00 H new ATOM 620 N ALA A 40 -16.406 -3.254 -28.833 1.00 0.00 N ATOM 621 CA ALA A 40 -15.255 -3.067 -27.958 1.00 0.00 C ATOM 622 C ALA A 40 -14.007 -3.715 -28.547 1.00 0.00 C ATOM 623 O ALA A 40 -12.887 -3.273 -28.291 1.00 0.00 O ATOM 624 CB ALA A 40 -15.545 -3.635 -26.577 1.00 0.00 C ATOM 0 H ALA A 40 -17.221 -3.663 -28.376 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.068 -1.997 -27.867 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.677 -3.489 -25.934 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.406 -3.124 -26.147 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.760 -4.700 -26.660 1.00 0.00 H new ATOM 630 N ILE A 41 -14.207 -4.765 -29.337 1.00 0.00 N ATOM 631 CA ILE A 41 -13.097 -5.474 -29.962 1.00 0.00 C ATOM 632 C ILE A 41 -12.187 -4.511 -30.717 1.00 0.00 C ATOM 633 O ILE A 41 -10.968 -4.677 -30.730 1.00 0.00 O ATOM 634 CB ILE A 41 -13.598 -6.559 -30.933 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.488 -7.562 -30.197 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.421 -7.267 -31.587 1.00 0.00 C ATOM 637 CD1 ILE A 41 -15.358 -8.387 -31.119 1.00 0.00 C ATOM 0 H ILE A 41 -15.128 -5.143 -29.559 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.533 -5.950 -29.160 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.190 -6.082 -31.714 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.859 -8.231 -29.609 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.125 -7.024 -29.495 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.790 -8.031 -32.271 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.823 -6.543 -32.141 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.805 -7.735 -30.819 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.962 -9.076 -30.529 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -16.012 -7.727 -31.689 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.727 -8.953 -31.805 1.00 0.00 H new ATOM 649 N GLU A 42 -12.788 -3.505 -31.344 1.00 0.00 N ATOM 650 CA GLU A 42 -12.031 -2.515 -32.101 1.00 0.00 C ATOM 651 C GLU A 42 -10.925 -1.906 -31.244 1.00 0.00 C ATOM 652 O GLU A 42 -9.871 -1.524 -31.752 1.00 0.00 O ATOM 653 CB GLU A 42 -12.959 -1.413 -32.614 1.00 0.00 C ATOM 654 CG GLU A 42 -13.416 -0.448 -31.532 1.00 0.00 C ATOM 655 CD GLU A 42 -14.728 0.231 -31.872 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.544 -0.380 -32.593 1.00 0.00 O ATOM 657 OE2 GLU A 42 -14.939 1.375 -31.416 1.00 0.00 O ATOM 0 H GLU A 42 -13.797 -3.354 -31.343 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.573 -3.018 -32.952 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.446 -0.853 -33.396 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.835 -1.872 -33.073 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.524 -0.988 -30.591 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.648 0.310 -31.379 1.00 0.00 H new ATOM 664 N ALA A 43 -11.173 -1.817 -29.942 1.00 0.00 N ATOM 665 CA ALA A 43 -10.199 -1.256 -29.014 1.00 0.00 C ATOM 666 C ALA A 43 -9.147 -2.291 -28.630 1.00 0.00 C ATOM 667 O ALA A 43 -7.970 -1.965 -28.470 1.00 0.00 O ATOM 668 CB ALA A 43 -10.898 -0.725 -27.772 1.00 0.00 C ATOM 0 H ALA A 43 -12.041 -2.127 -29.505 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.693 -0.430 -29.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.158 -0.309 -27.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.606 0.053 -28.058 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.431 -1.538 -27.279 1.00 0.00 H new ATOM 674 N LEU A 44 -9.578 -3.539 -28.483 1.00 0.00 N ATOM 675 CA LEU A 44 -8.673 -4.623 -28.116 1.00 0.00 C ATOM 676 C LEU A 44 -7.458 -4.652 -29.038 1.00 0.00 C ATOM 677 O LEU A 44 -6.339 -4.916 -28.597 1.00 0.00 O ATOM 678 CB LEU A 44 -9.403 -5.965 -28.174 1.00 0.00 C ATOM 679 CG LEU A 44 -10.171 -6.366 -26.913 1.00 0.00 C ATOM 680 CD1 LEU A 44 -9.208 -6.787 -25.813 1.00 0.00 C ATOM 681 CD2 LEU A 44 -11.056 -5.222 -26.441 1.00 0.00 C ATOM 0 H LEU A 44 -10.548 -3.825 -28.612 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.329 -4.448 -27.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.103 -5.939 -29.009 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.673 -6.744 -28.394 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.809 -7.216 -27.154 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.772 -7.069 -24.924 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.617 -7.638 -26.153 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.544 -5.957 -25.573 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.595 -5.525 -25.543 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.438 -4.352 -26.217 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.770 -4.968 -27.224 1.00 0.00 H new ATOM 693 N ASP A 45 -7.685 -4.378 -30.317 1.00 0.00 N ATOM 694 CA ASP A 45 -6.609 -4.369 -31.301 1.00 0.00 C ATOM 695 C ASP A 45 -5.490 -3.424 -30.874 1.00 0.00 C ATOM 696 O ASP A 45 -4.311 -3.702 -31.094 1.00 0.00 O ATOM 697 CB ASP A 45 -7.145 -3.958 -32.672 1.00 0.00 C ATOM 698 CG ASP A 45 -6.065 -3.941 -33.736 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.489 -5.014 -34.014 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.795 -2.855 -34.290 1.00 0.00 O ATOM 0 H ASP A 45 -8.606 -4.159 -30.698 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.203 -5.378 -31.367 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.935 -4.647 -32.971 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.596 -2.968 -32.601 1.00 0.00 H new ATOM 705 N ARG A 46 -5.868 -2.306 -30.263 1.00 0.00 N ATOM 706 CA ARG A 46 -4.897 -1.319 -29.807 1.00 0.00 C ATOM 707 C ARG A 46 -3.958 -1.920 -28.765 1.00 0.00 C ATOM 708 O ARG A 46 -2.736 -1.834 -28.891 1.00 0.00 O ATOM 709 CB ARG A 46 -5.613 -0.100 -29.221 1.00 0.00 C ATOM 710 CG ARG A 46 -4.762 1.159 -29.210 1.00 0.00 C ATOM 711 CD ARG A 46 -4.809 1.875 -30.551 1.00 0.00 C ATOM 712 NE ARG A 46 -4.281 3.234 -30.464 1.00 0.00 N ATOM 713 CZ ARG A 46 -4.932 4.240 -29.890 1.00 0.00 C ATOM 714 NH1 ARG A 46 -6.128 4.040 -29.354 1.00 0.00 N ATOM 715 NH2 ARG A 46 -4.386 5.448 -29.851 1.00 0.00 N ATOM 0 H ARG A 46 -6.840 -2.061 -30.072 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.305 -1.006 -30.667 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.520 0.089 -29.796 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.924 -0.327 -28.201 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.113 1.830 -28.426 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.731 0.900 -28.970 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.235 1.309 -31.285 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.838 1.908 -30.909 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.362 3.421 -30.866 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.551 3.112 -29.382 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.626 4.814 -28.914 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.466 5.605 -30.262 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.886 6.220 -29.410 1.00 0.00 H new ATOM 729 N LEU A 47 -4.537 -2.529 -27.736 1.00 0.00 N ATOM 730 CA LEU A 47 -3.753 -3.145 -26.671 1.00 0.00 C ATOM 731 C LEU A 47 -2.775 -4.169 -27.238 1.00 0.00 C ATOM 732 O LEU A 47 -1.567 -4.079 -27.016 1.00 0.00 O ATOM 733 CB LEU A 47 -4.677 -3.814 -25.652 1.00 0.00 C ATOM 734 CG LEU A 47 -5.860 -2.976 -25.167 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.662 -3.737 -24.123 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.378 -1.646 -24.607 1.00 0.00 C ATOM 0 H LEU A 47 -5.547 -2.609 -27.617 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.182 -2.361 -26.174 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.065 -4.733 -26.091 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.082 -4.101 -24.785 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.510 -2.775 -26.018 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.500 -3.124 -23.790 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.040 -4.662 -24.558 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.022 -3.971 -23.272 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.234 -1.063 -24.267 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.705 -1.827 -23.769 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.849 -1.094 -25.384 1.00 0.00 H new ATOM 748 N LEU A 48 -3.305 -5.142 -27.972 1.00 0.00 N ATOM 749 CA LEU A 48 -2.479 -6.183 -28.573 1.00 0.00 C ATOM 750 C LEU A 48 -1.336 -5.574 -29.379 1.00 0.00 C ATOM 751 O LEU A 48 -0.171 -5.926 -29.189 1.00 0.00 O ATOM 752 CB LEU A 48 -3.331 -7.081 -29.472 1.00 0.00 C ATOM 753 CG LEU A 48 -4.561 -7.712 -28.819 1.00 0.00 C ATOM 754 CD1 LEU A 48 -5.413 -8.421 -29.859 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.145 -8.678 -27.719 1.00 0.00 C ATOM 0 H LEU A 48 -4.303 -5.231 -28.165 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.052 -6.783 -27.770 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.661 -6.495 -30.330 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.698 -7.881 -29.857 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.158 -6.918 -28.371 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.284 -8.864 -29.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.741 -7.703 -30.611 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.826 -9.205 -30.337 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.033 -9.117 -27.266 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.526 -9.468 -28.144 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.577 -8.141 -26.959 1.00 0.00 H new ATOM 767 N LEU A 49 -1.677 -4.658 -30.279 1.00 0.00 N ATOM 768 CA LEU A 49 -0.679 -3.997 -31.113 1.00 0.00 C ATOM 769 C LEU A 49 0.398 -3.340 -30.257 1.00 0.00 C ATOM 770 O LEU A 49 1.592 -3.503 -30.511 1.00 0.00 O ATOM 771 CB LEU A 49 -1.345 -2.950 -32.007 1.00 0.00 C ATOM 772 CG LEU A 49 -0.619 -2.620 -33.312 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.590 -2.051 -34.334 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.521 -1.645 -33.055 1.00 0.00 C ATOM 0 H LEU A 49 -2.636 -4.356 -30.450 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.207 -4.754 -31.740 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.349 -3.296 -32.251 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.456 -2.030 -31.434 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.199 -3.541 -33.715 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.055 -1.822 -35.256 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.372 -2.782 -34.540 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.040 -1.140 -33.940 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.027 -1.421 -33.994 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.123 -0.724 -32.629 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.231 -2.091 -32.358 1.00 0.00 H new ATOM 786 N ASP A 50 -0.031 -2.599 -29.241 1.00 0.00 N ATOM 787 CA ASP A 50 0.897 -1.920 -28.345 1.00 0.00 C ATOM 788 C ASP A 50 1.870 -2.912 -27.716 1.00 0.00 C ATOM 789 O ASP A 50 3.080 -2.831 -27.928 1.00 0.00 O ATOM 790 CB ASP A 50 0.130 -1.176 -27.250 1.00 0.00 C ATOM 791 CG ASP A 50 -0.239 0.237 -27.660 1.00 0.00 C ATOM 792 OD1 ASP A 50 -1.044 0.390 -28.602 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.279 1.189 -27.039 1.00 0.00 O ATOM 0 H ASP A 50 -1.016 -2.454 -29.018 1.00 0.00 H new ATOM 0 HA ASP A 50 1.468 -1.200 -28.932 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.777 -1.729 -27.006 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.736 -1.142 -26.345 1.00 0.00 H new ATOM 798 N VAL A 51 1.334 -3.848 -26.939 1.00 0.00 N ATOM 799 CA VAL A 51 2.154 -4.857 -26.279 1.00 0.00 C ATOM 800 C VAL A 51 2.978 -5.644 -27.292 1.00 0.00 C ATOM 801 O VAL A 51 4.033 -6.187 -26.963 1.00 0.00 O ATOM 802 CB VAL A 51 1.291 -5.837 -25.463 1.00 0.00 C ATOM 803 CG1 VAL A 51 0.394 -6.652 -26.383 1.00 0.00 C ATOM 804 CG2 VAL A 51 2.171 -6.747 -24.620 1.00 0.00 C ATOM 0 H VAL A 51 0.335 -3.928 -26.751 1.00 0.00 H new ATOM 0 HA VAL A 51 2.825 -4.327 -25.603 1.00 0.00 H new ATOM 0 HB VAL A 51 0.655 -5.261 -24.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.208 -7.339 -25.789 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.262 -5.982 -26.939 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.009 -7.220 -27.081 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.544 -7.433 -24.050 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.834 -7.317 -25.271 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.766 -6.144 -23.934 1.00 0.00 H new ATOM 814 N ARG A 52 2.489 -5.702 -28.527 1.00 0.00 N ATOM 815 CA ARG A 52 3.180 -6.424 -29.589 1.00 0.00 C ATOM 816 C ARG A 52 4.388 -5.636 -30.086 1.00 0.00 C ATOM 817 O ARG A 52 5.414 -6.213 -30.442 1.00 0.00 O ATOM 818 CB ARG A 52 2.224 -6.701 -30.751 1.00 0.00 C ATOM 819 CG ARG A 52 1.486 -8.024 -30.630 1.00 0.00 C ATOM 820 CD ARG A 52 0.824 -8.414 -31.943 1.00 0.00 C ATOM 821 NE ARG A 52 -0.186 -7.444 -32.356 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.822 -7.497 -33.522 1.00 0.00 C ATOM 823 NH1 ARG A 52 -0.553 -8.467 -34.384 1.00 0.00 N ATOM 824 NH2 ARG A 52 -1.728 -6.577 -33.826 1.00 0.00 N ATOM 0 H ARG A 52 1.618 -5.258 -28.816 1.00 0.00 H new ATOM 0 HA ARG A 52 3.530 -7.372 -29.181 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.496 -5.892 -30.812 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.788 -6.693 -31.684 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.184 -8.805 -30.327 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.730 -7.950 -29.848 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.583 -8.500 -32.720 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.362 -9.396 -31.839 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.416 -6.685 -31.715 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.144 -9.175 -34.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.043 -8.505 -35.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.937 -5.829 -33.165 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.216 -6.618 -34.721 1.00 0.00 H new ATOM 838 N ALA A 53 4.256 -4.313 -30.107 1.00 0.00 N ATOM 839 CA ALA A 53 5.337 -3.446 -30.559 1.00 0.00 C ATOM 840 C ALA A 53 6.096 -2.852 -29.377 1.00 0.00 C ATOM 841 O ALA A 53 6.703 -1.787 -29.489 1.00 0.00 O ATOM 842 CB ALA A 53 4.789 -2.338 -31.447 1.00 0.00 C ATOM 0 H ALA A 53 3.412 -3.819 -29.817 1.00 0.00 H new ATOM 0 HA ALA A 53 6.035 -4.050 -31.139 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.607 -1.698 -31.777 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.298 -2.777 -32.316 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.068 -1.744 -30.885 1.00 0.00 H new ATOM 848 N ARG A 54 6.056 -3.548 -28.245 1.00 0.00 N ATOM 849 CA ARG A 54 6.738 -3.088 -27.042 1.00 0.00 C ATOM 850 C ARG A 54 6.350 -1.649 -26.713 1.00 0.00 C ATOM 851 O ARG A 54 7.213 -0.792 -26.520 1.00 0.00 O ATOM 852 CB ARG A 54 8.254 -3.191 -27.218 1.00 0.00 C ATOM 853 CG ARG A 54 8.743 -4.608 -27.472 1.00 0.00 C ATOM 854 CD ARG A 54 10.191 -4.783 -27.042 1.00 0.00 C ATOM 855 NE ARG A 54 11.108 -4.022 -27.886 1.00 0.00 N ATOM 856 CZ ARG A 54 11.392 -4.346 -29.142 1.00 0.00 C ATOM 857 NH1 ARG A 54 10.831 -5.411 -29.698 1.00 0.00 N ATOM 858 NH2 ARG A 54 12.237 -3.604 -29.846 1.00 0.00 N ATOM 0 H ARG A 54 5.559 -4.432 -28.136 1.00 0.00 H new ATOM 0 HA ARG A 54 6.431 -3.727 -26.214 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.559 -2.556 -28.050 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.742 -2.802 -26.325 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.114 -5.314 -26.930 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.646 -4.843 -28.532 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.303 -4.464 -26.006 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.455 -5.840 -27.080 1.00 0.00 H new ATOM 0 HE ARG A 54 11.555 -3.196 -27.489 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.180 -5.983 -29.161 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.051 -5.658 -30.663 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.670 -2.783 -29.423 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.454 -3.854 -30.811 1.00 0.00 H new ATOM 872 N ARG A 55 5.048 -1.392 -26.651 1.00 0.00 N ATOM 873 CA ARG A 55 4.546 -0.057 -26.348 1.00 0.00 C ATOM 874 C ARG A 55 3.871 -0.029 -24.980 1.00 0.00 C ATOM 875 O ARG A 55 2.995 0.798 -24.725 1.00 0.00 O ATOM 876 CB ARG A 55 3.559 0.397 -27.425 1.00 0.00 C ATOM 877 CG ARG A 55 4.159 0.442 -28.821 1.00 0.00 C ATOM 878 CD ARG A 55 4.964 1.713 -29.041 1.00 0.00 C ATOM 879 NE ARG A 55 5.976 1.547 -30.080 1.00 0.00 N ATOM 880 CZ ARG A 55 6.776 2.526 -30.490 1.00 0.00 C ATOM 881 NH1 ARG A 55 6.681 3.733 -29.951 1.00 0.00 N ATOM 882 NH2 ARG A 55 7.673 2.297 -31.441 1.00 0.00 N ATOM 0 H ARG A 55 4.321 -2.091 -26.807 1.00 0.00 H new ATOM 0 HA ARG A 55 5.394 0.628 -26.331 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.703 -0.277 -27.428 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.184 1.388 -27.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.800 -0.427 -28.971 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.362 0.382 -29.563 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.291 2.525 -29.317 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.447 2.002 -28.108 1.00 0.00 H new ATOM 0 HE ARG A 55 6.075 0.630 -30.515 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.993 3.912 -29.220 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.296 4.483 -30.267 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.749 1.369 -31.858 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.287 3.049 -31.755 1.00 0.00 H new ATOM 896 N VAL A 56 4.284 -0.938 -24.102 1.00 0.00 N ATOM 897 CA VAL A 56 3.720 -1.016 -22.760 1.00 0.00 C ATOM 898 C VAL A 56 4.730 -0.563 -21.712 1.00 0.00 C ATOM 899 O VAL A 56 5.783 -1.178 -21.544 1.00 0.00 O ATOM 900 CB VAL A 56 3.259 -2.448 -22.428 1.00 0.00 C ATOM 901 CG1 VAL A 56 2.677 -2.509 -21.024 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.248 -2.934 -23.455 1.00 0.00 C ATOM 0 H VAL A 56 5.007 -1.631 -24.296 1.00 0.00 H new ATOM 0 HA VAL A 56 2.857 -0.350 -22.740 1.00 0.00 H new ATOM 0 HB VAL A 56 4.126 -3.108 -22.465 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.357 -3.528 -20.807 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.435 -2.205 -20.302 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.821 -1.837 -20.955 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.933 -3.947 -23.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.381 -2.274 -23.453 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.704 -2.930 -24.445 1.00 0.00 H new ATOM 912 N ASP A 57 4.401 0.516 -21.010 1.00 0.00 N ATOM 913 CA ASP A 57 5.279 1.051 -19.976 1.00 0.00 C ATOM 914 C ASP A 57 4.626 0.948 -18.601 1.00 0.00 C ATOM 915 O ASP A 57 3.455 0.589 -18.486 1.00 0.00 O ATOM 916 CB ASP A 57 5.631 2.509 -20.280 1.00 0.00 C ATOM 917 CG ASP A 57 4.404 3.352 -20.564 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.989 3.417 -21.740 1.00 0.00 O ATOM 919 OD2 ASP A 57 3.859 3.948 -19.611 1.00 0.00 O ATOM 0 H ASP A 57 3.533 1.037 -21.138 1.00 0.00 H new ATOM 0 HA ASP A 57 6.194 0.458 -19.969 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.172 2.933 -19.434 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.301 2.547 -21.139 1.00 0.00 H new ATOM 924 N GLN A 58 5.392 1.265 -17.562 1.00 0.00 N ATOM 925 CA GLN A 58 4.887 1.207 -16.196 1.00 0.00 C ATOM 926 C GLN A 58 4.412 2.579 -15.731 1.00 0.00 C ATOM 927 O GLN A 58 5.032 3.598 -16.037 1.00 0.00 O ATOM 928 CB GLN A 58 5.971 0.682 -15.251 1.00 0.00 C ATOM 929 CG GLN A 58 7.064 1.697 -14.957 1.00 0.00 C ATOM 930 CD GLN A 58 6.717 2.609 -13.797 1.00 0.00 C ATOM 931 OE1 GLN A 58 6.649 3.828 -13.950 1.00 0.00 O ATOM 932 NE2 GLN A 58 6.495 2.020 -12.627 1.00 0.00 N ATOM 0 H GLN A 58 6.364 1.564 -17.640 1.00 0.00 H new ATOM 0 HA GLN A 58 4.037 0.524 -16.179 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.507 0.377 -14.313 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.422 -0.209 -15.688 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.993 1.171 -14.736 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.244 2.300 -15.847 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.562 1.005 -12.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.257 2.582 -11.810 1.00 0.00 H new ATOM 941 N PHE A 59 3.308 2.599 -14.991 1.00 0.00 N ATOM 942 CA PHE A 59 2.749 3.847 -14.486 1.00 0.00 C ATOM 943 C PHE A 59 1.618 3.576 -13.498 1.00 0.00 C ATOM 944 O PHE A 59 0.973 2.529 -13.551 1.00 0.00 O ATOM 945 CB PHE A 59 2.235 4.706 -15.643 1.00 0.00 C ATOM 946 CG PHE A 59 2.264 6.180 -15.354 1.00 0.00 C ATOM 947 CD1 PHE A 59 3.465 6.832 -15.126 1.00 0.00 C ATOM 948 CD2 PHE A 59 1.089 6.914 -15.312 1.00 0.00 C ATOM 949 CE1 PHE A 59 3.493 8.187 -14.859 1.00 0.00 C ATOM 950 CE2 PHE A 59 1.111 8.270 -15.045 1.00 0.00 C ATOM 951 CZ PHE A 59 2.315 8.908 -14.820 1.00 0.00 C ATOM 0 H PHE A 59 2.783 1.765 -14.728 1.00 0.00 H new ATOM 0 HA PHE A 59 3.541 4.386 -13.966 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.837 4.506 -16.529 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.213 4.410 -15.879 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.390 6.275 -15.157 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.145 6.421 -15.490 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.436 8.683 -14.681 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.188 8.830 -15.012 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.336 9.968 -14.614 1.00 0.00 H new ATOM 961 N GLN A 60 1.385 4.526 -12.599 1.00 0.00 N ATOM 962 CA GLN A 60 0.333 4.389 -11.598 1.00 0.00 C ATOM 963 C GLN A 60 -0.508 5.659 -11.515 1.00 0.00 C ATOM 964 O GLN A 60 -0.179 6.585 -10.773 1.00 0.00 O ATOM 965 CB GLN A 60 0.940 4.074 -10.230 1.00 0.00 C ATOM 966 CG GLN A 60 -0.075 4.082 -9.098 1.00 0.00 C ATOM 967 CD GLN A 60 0.542 3.732 -7.758 1.00 0.00 C ATOM 968 OE1 GLN A 60 0.221 2.703 -7.164 1.00 0.00 O ATOM 969 NE2 GLN A 60 1.434 4.589 -7.275 1.00 0.00 N ATOM 0 H GLN A 60 1.910 5.399 -12.543 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.315 3.565 -11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.419 3.096 -10.271 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.721 4.802 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.536 5.068 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.871 3.372 -9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.670 5.430 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.883 4.406 -6.378 1.00 0.00 H new ATOM 978 N ILE A 61 -1.593 5.695 -12.281 1.00 0.00 N ATOM 979 CA ILE A 61 -2.481 6.851 -12.292 1.00 0.00 C ATOM 980 C ILE A 61 -3.227 6.984 -10.969 1.00 0.00 C ATOM 981 O ILE A 61 -3.636 8.079 -10.583 1.00 0.00 O ATOM 982 CB ILE A 61 -3.504 6.764 -13.440 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.383 5.522 -13.275 1.00 0.00 C ATOM 984 CG2 ILE A 61 -2.792 6.741 -14.784 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.656 5.781 -12.501 1.00 0.00 C ATOM 0 H ILE A 61 -1.878 4.938 -12.902 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.854 7.730 -12.442 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.143 7.646 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.639 5.135 -14.261 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.810 4.746 -12.767 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.529 6.679 -15.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.205 7.652 -14.900 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.132 5.875 -14.831 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.229 4.857 -12.423 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.408 6.139 -11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.250 6.534 -13.019 1.00 0.00 H new ATOM 997 N ASN A 62 -3.400 5.863 -10.278 1.00 0.00 N ATOM 998 CA ASN A 62 -4.096 5.854 -8.996 1.00 0.00 C ATOM 999 C ASN A 62 -3.256 5.165 -7.925 1.00 0.00 C ATOM 1000 O ASN A 62 -2.817 4.029 -8.102 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.448 5.149 -9.132 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.558 6.101 -9.531 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.440 7.316 -9.366 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.646 5.553 -10.060 1.00 0.00 N ATOM 0 H ASN A 62 -3.068 4.948 -10.584 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.261 6.888 -8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.368 4.356 -9.876 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.704 4.673 -8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.426 6.144 -10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.701 4.541 -10.179 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.037 5.861 -6.815 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.252 5.316 -5.714 1.00 0.00 C ATOM 1013 C ALA A 63 -3.047 4.271 -4.937 1.00 0.00 C ATOM 1014 O ALA A 63 -2.489 3.288 -4.452 1.00 0.00 O ATOM 1015 CB ALA A 63 -1.797 6.433 -4.786 1.00 0.00 C ATOM 0 H ALA A 63 -3.392 6.804 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.373 4.827 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.212 6.011 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.184 7.142 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.669 6.947 -4.381 1.00 0.00 H new ATOM 1021 N SER A 64 -4.353 4.492 -4.824 1.00 0.00 N ATOM 1022 CA SER A 64 -5.224 3.572 -4.102 1.00 0.00 C ATOM 1023 C SER A 64 -5.563 2.359 -4.962 1.00 0.00 C ATOM 1024 O SER A 64 -5.849 1.279 -4.445 1.00 0.00 O ATOM 1025 CB SER A 64 -6.509 4.283 -3.673 1.00 0.00 C ATOM 1026 OG SER A 64 -7.008 5.106 -4.713 1.00 0.00 O ATOM 0 H SER A 64 -4.831 5.300 -5.223 1.00 0.00 H new ATOM 0 HA SER A 64 -4.694 3.229 -3.214 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.262 3.545 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.315 4.888 -2.787 1.00 0.00 H new ATOM 0 HG SER A 64 -7.830 5.548 -4.415 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.530 2.545 -6.277 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.833 1.466 -7.209 1.00 0.00 C ATOM 1034 C ALA A 65 -4.767 0.377 -7.153 1.00 0.00 C ATOM 1035 O ALA A 65 -3.887 0.401 -6.292 1.00 0.00 O ATOM 1036 CB ALA A 65 -5.958 2.011 -8.625 1.00 0.00 C ATOM 0 H ALA A 65 -5.296 3.433 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.785 1.023 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.184 1.194 -9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.760 2.748 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.019 2.481 -8.918 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.853 -0.577 -8.074 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.895 -1.674 -8.129 1.00 0.00 C ATOM 1044 C ALA A 66 -2.685 -1.305 -8.980 1.00 0.00 C ATOM 1045 O ALA A 66 -2.804 -1.105 -10.189 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.561 -2.930 -8.671 1.00 0.00 C ATOM 0 H ALA A 66 -5.576 -0.612 -8.792 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.546 -1.870 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.834 -3.741 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.388 -3.213 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.939 -2.737 -9.675 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.523 -1.216 -8.342 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.292 -0.869 -9.042 1.00 0.00 C ATOM 1054 C GLN A 67 0.239 -2.060 -9.833 1.00 0.00 C ATOM 1055 O GLN A 67 0.491 -3.127 -9.273 1.00 0.00 O ATOM 1056 CB GLN A 67 0.767 -0.389 -8.048 1.00 0.00 C ATOM 1057 CG GLN A 67 1.797 0.546 -8.660 1.00 0.00 C ATOM 1058 CD GLN A 67 2.643 1.248 -7.616 1.00 0.00 C ATOM 1059 OE1 GLN A 67 2.778 0.772 -6.488 1.00 0.00 O ATOM 1060 NE2 GLN A 67 3.218 2.386 -7.986 1.00 0.00 N ATOM 0 H GLN A 67 -1.408 -1.379 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.516 -0.063 -9.741 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.272 0.120 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.279 -1.255 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.446 -0.022 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.288 1.292 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.079 2.744 -8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.799 2.902 -7.325 1.00 0.00 H new ATOM 1069 N ILE A 68 0.404 -1.870 -11.138 1.00 0.00 N ATOM 1070 CA ILE A 68 0.905 -2.929 -12.006 1.00 0.00 C ATOM 1071 C ILE A 68 2.182 -2.498 -12.718 1.00 0.00 C ATOM 1072 O ILE A 68 2.132 -1.835 -13.755 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.143 -3.339 -13.057 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.505 -3.556 -12.394 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.303 -4.596 -13.788 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -1.518 -4.698 -11.401 1.00 0.00 C ATOM 0 H ILE A 68 0.198 -0.993 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 68 1.120 -3.785 -11.367 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.239 -2.534 -13.785 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.803 -2.639 -11.885 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.250 -3.748 -13.166 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.448 -4.873 -14.527 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.253 -4.408 -14.289 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.425 -5.409 -13.072 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.515 -4.794 -10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.251 -5.625 -11.909 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.797 -4.499 -10.608 1.00 0.00 H new ATOM 1088 N ILE A 69 3.324 -2.879 -12.157 1.00 0.00 N ATOM 1089 CA ILE A 69 4.615 -2.534 -12.741 1.00 0.00 C ATOM 1090 C ILE A 69 4.910 -3.391 -13.967 1.00 0.00 C ATOM 1091 O ILE A 69 4.563 -4.571 -14.011 1.00 0.00 O ATOM 1092 CB ILE A 69 5.757 -2.703 -11.722 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.508 -1.826 -10.493 1.00 0.00 C ATOM 1094 CG2 ILE A 69 7.094 -2.360 -12.363 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.714 -2.517 -9.408 1.00 0.00 C ATOM 0 H ILE A 69 3.382 -3.427 -11.299 1.00 0.00 H new ATOM 0 HA ILE A 69 4.558 -1.487 -13.038 1.00 0.00 H new ATOM 0 HB ILE A 69 5.787 -3.744 -11.401 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.467 -1.508 -10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.978 -0.925 -10.801 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.891 -2.484 -11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.272 -3.023 -13.209 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.077 -1.327 -12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.576 -1.836 -8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.741 -2.811 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.252 -3.403 -9.072 1.00 0.00 H new ATOM 1107 N VAL A 70 5.557 -2.790 -14.961 1.00 0.00 N ATOM 1108 CA VAL A 70 5.903 -3.499 -16.187 1.00 0.00 C ATOM 1109 C VAL A 70 7.414 -3.567 -16.374 1.00 0.00 C ATOM 1110 O VAL A 70 8.122 -2.580 -16.170 1.00 0.00 O ATOM 1111 CB VAL A 70 5.273 -2.826 -17.421 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.644 -3.580 -18.688 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.762 -2.738 -17.267 1.00 0.00 C ATOM 0 H VAL A 70 5.852 -1.814 -14.941 1.00 0.00 H new ATOM 0 HA VAL A 70 5.506 -4.510 -16.092 1.00 0.00 H new ATOM 0 HB VAL A 70 5.667 -1.813 -17.501 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.190 -3.090 -19.549 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.728 -3.586 -18.804 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.281 -4.605 -18.621 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.334 -2.260 -18.148 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.348 -3.741 -17.161 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.520 -2.150 -16.381 1.00 0.00 H new ATOM 1123 N THR A 71 7.904 -4.739 -16.766 1.00 0.00 N ATOM 1124 CA THR A 71 9.332 -4.937 -16.980 1.00 0.00 C ATOM 1125 C THR A 71 9.657 -5.031 -18.467 1.00 0.00 C ATOM 1126 O THR A 71 9.862 -6.122 -18.999 1.00 0.00 O ATOM 1127 CB THR A 71 9.835 -6.211 -16.275 1.00 0.00 C ATOM 1128 OG1 THR A 71 9.159 -7.360 -16.798 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.609 -6.123 -14.773 1.00 0.00 C ATOM 0 H THR A 71 7.333 -5.565 -16.942 1.00 0.00 H new ATOM 0 HA THR A 71 9.838 -4.071 -16.554 1.00 0.00 H new ATOM 0 HB THR A 71 10.905 -6.304 -16.461 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.264 -7.386 -17.772 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.972 -7.034 -14.296 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.149 -5.264 -14.374 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.544 -6.008 -14.571 1.00 0.00 H new ATOM 1137 N ASP A 72 9.702 -3.882 -19.132 1.00 0.00 N ATOM 1138 CA ASP A 72 10.003 -3.835 -20.558 1.00 0.00 C ATOM 1139 C ASP A 72 11.501 -3.668 -20.791 1.00 0.00 C ATOM 1140 O ASP A 72 11.992 -3.860 -21.904 1.00 0.00 O ATOM 1141 CB ASP A 72 9.240 -2.690 -21.225 1.00 0.00 C ATOM 1142 CG ASP A 72 9.930 -1.352 -21.046 1.00 0.00 C ATOM 1143 OD1 ASP A 72 9.728 -0.716 -19.990 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.673 -0.942 -21.962 1.00 0.00 O ATOM 0 H ASP A 72 9.534 -2.970 -18.706 1.00 0.00 H new ATOM 0 HA ASP A 72 9.687 -4.779 -21.002 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.132 -2.900 -22.289 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.235 -2.636 -20.808 1.00 0.00 H new TER 1149 ASP A 72