USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 567 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 21 TYR OH : rot 150:sc= -4.36 USER MOD Set 1.2: A 56 ASN : amide:sc= -4.19! C(o=-8.5!,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0969 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0711) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.0778 (180deg=-0.42) USER MOD Single : A 11 ASN : amide:sc= -0.769 K(o=-0.77,f=-2.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -101:sc= -13! (180deg=-24.3!) USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= 0.423 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= 0.655 (180deg=-1.53!) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -1.35 (180deg=-2.07!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -2.8 K(o=-2.8,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.15) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.665 (180deg=-1.24) USER MOD Single : A 58 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.47) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 152:sc= -0.292 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 6:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.686 -3.337 2.823 1.00 0.00 N ATOM 2 CA MET A 1 16.836 -2.590 1.901 1.00 0.00 C ATOM 3 C MET A 1 16.519 -1.204 2.504 1.00 0.00 C ATOM 4 O MET A 1 16.535 -1.062 3.727 1.00 0.00 O ATOM 5 CB MET A 1 15.557 -3.395 1.635 1.00 0.00 C ATOM 6 CG MET A 1 15.565 -4.114 0.297 1.00 0.00 C ATOM 7 SD MET A 1 16.387 -5.715 0.382 1.00 0.00 S ATOM 8 CE MET A 1 15.066 -6.742 1.022 1.00 0.00 C ATOM 0 H1 MET A 1 17.453 -4.349 2.768 1.00 0.00 H new ATOM 0 H2 MET A 1 18.684 -3.197 2.566 1.00 0.00 H new ATOM 0 H3 MET A 1 17.528 -2.998 3.793 1.00 0.00 H new ATOM 0 HA MET A 1 17.347 -2.434 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.425 -4.127 2.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.699 -2.724 1.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.539 -4.253 -0.044 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.065 -3.491 -0.444 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.422 -7.767 1.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.749 -6.363 1.994 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.223 -6.722 0.332 1.00 0.00 H new ATOM 18 N ASP A 2 16.249 -0.172 1.678 1.00 0.00 N ATOM 19 CA ASP A 2 15.965 1.160 2.228 1.00 0.00 C ATOM 20 C ASP A 2 14.771 1.772 1.537 1.00 0.00 C ATOM 21 O ASP A 2 14.536 1.507 0.376 1.00 0.00 O ATOM 22 CB ASP A 2 17.175 2.085 2.104 1.00 0.00 C ATOM 23 CG ASP A 2 18.467 1.414 2.534 1.00 0.00 C ATOM 24 OD1 ASP A 2 18.914 0.481 1.834 1.00 0.00 O ATOM 25 OD2 ASP A 2 19.031 1.824 3.569 1.00 0.00 O ATOM 0 H ASP A 2 16.223 -0.234 0.660 1.00 0.00 H new ATOM 0 HA ASP A 2 15.740 1.039 3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.269 2.418 1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.012 2.975 2.712 1.00 0.00 H new ATOM 30 N LEU A 3 13.990 2.568 2.228 1.00 0.00 N ATOM 31 CA LEU A 3 12.832 3.145 1.573 1.00 0.00 C ATOM 32 C LEU A 3 12.868 4.661 1.459 1.00 0.00 C ATOM 33 O LEU A 3 12.756 5.367 2.461 1.00 0.00 O ATOM 34 CB LEU A 3 11.559 2.722 2.294 1.00 0.00 C ATOM 35 CG LEU A 3 10.411 2.192 1.419 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.366 3.268 1.203 1.00 0.00 C ATOM 37 CD2 LEU A 3 10.899 1.667 0.073 1.00 0.00 C ATOM 0 H LEU A 3 14.123 2.826 3.206 1.00 0.00 H new ATOM 0 HA LEU A 3 12.848 2.760 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.819 1.950 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.189 3.577 2.859 1.00 0.00 H new ATOM 0 HG LEU A 3 9.967 1.354 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.562 2.874 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.961 3.581 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.823 4.124 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.049 1.305 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.394 2.470 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.603 0.850 0.234 1.00 0.00 H new ATOM 49 N ILE A 4 12.921 5.161 0.228 1.00 0.00 N ATOM 50 CA ILE A 4 12.845 6.606 0.021 1.00 0.00 C ATOM 51 C ILE A 4 11.446 6.903 -0.470 1.00 0.00 C ATOM 52 O ILE A 4 11.053 6.480 -1.556 1.00 0.00 O ATOM 53 CB ILE A 4 13.838 7.098 -1.031 1.00 0.00 C ATOM 54 CG1 ILE A 4 15.168 6.358 -0.901 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.042 8.600 -0.910 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.771 6.449 0.486 1.00 0.00 C ATOM 0 H ILE A 4 13.014 4.605 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 4 13.085 7.111 0.957 1.00 0.00 H new ATOM 0 HB ILE A 4 13.427 6.888 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 4 15.019 5.309 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.875 6.765 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.752 8.933 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.090 9.110 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.431 8.836 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.714 5.902 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.951 7.494 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.082 6.016 1.211 1.00 0.00 H new ATOM 68 N ILE A 5 10.678 7.559 0.369 1.00 0.00 N ATOM 69 CA ILE A 5 9.289 7.827 0.057 1.00 0.00 C ATOM 70 C ILE A 5 8.859 9.275 -0.206 1.00 0.00 C ATOM 71 O ILE A 5 9.258 10.207 0.490 1.00 0.00 O ATOM 72 CB ILE A 5 8.368 7.206 1.098 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.994 7.230 2.502 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.052 5.792 0.671 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.449 8.601 2.955 1.00 0.00 C ATOM 0 H ILE A 5 10.989 7.917 1.272 1.00 0.00 H new ATOM 0 HA ILE A 5 9.190 7.355 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 5 7.451 7.792 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.268 6.846 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.848 6.552 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.392 5.329 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.559 5.807 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.976 5.218 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.878 8.530 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.201 8.982 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.596 9.280 2.974 1.00 0.00 H new ATOM 87 N LYS A 6 7.928 9.405 -1.151 1.00 0.00 N ATOM 88 CA LYS A 6 7.277 10.676 -1.467 1.00 0.00 C ATOM 89 C LYS A 6 5.770 10.390 -1.470 1.00 0.00 C ATOM 90 O LYS A 6 5.058 10.606 -2.452 1.00 0.00 O ATOM 91 CB LYS A 6 7.734 11.244 -2.810 1.00 0.00 C ATOM 92 CG LYS A 6 7.827 12.762 -2.827 1.00 0.00 C ATOM 93 CD LYS A 6 9.182 13.234 -3.327 1.00 0.00 C ATOM 94 CE LYS A 6 9.326 14.743 -3.203 1.00 0.00 C ATOM 95 NZ LYS A 6 9.481 15.171 -1.785 1.00 0.00 N ATOM 0 H LYS A 6 7.602 8.626 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 6 7.541 11.434 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.709 10.825 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.040 10.922 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.042 13.168 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.654 13.149 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.972 12.744 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.310 12.939 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.190 15.074 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.451 15.228 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.744 16.177 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.582 15.032 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.225 14.604 -1.330 1.00 0.00 H new ATOM 109 N GLU A 7 5.347 9.810 -0.348 1.00 0.00 N ATOM 110 CA GLU A 7 3.974 9.339 -0.095 1.00 0.00 C ATOM 111 C GLU A 7 2.872 10.395 -0.191 1.00 0.00 C ATOM 112 O GLU A 7 2.986 11.488 0.364 1.00 0.00 O ATOM 113 CB GLU A 7 3.960 8.640 1.265 1.00 0.00 C ATOM 114 CG GLU A 7 5.248 7.862 1.528 1.00 0.00 C ATOM 115 CD GLU A 7 6.155 8.622 2.486 1.00 0.00 C ATOM 116 OE1 GLU A 7 6.843 9.559 2.027 1.00 0.00 O ATOM 117 OE2 GLU A 7 6.162 8.302 3.691 1.00 0.00 O ATOM 0 H GLU A 7 5.969 9.646 0.443 1.00 0.00 H new ATOM 0 HA GLU A 7 3.724 8.654 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.819 9.382 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.110 7.959 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.008 6.884 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.771 7.687 0.588 1.00 0.00 H new ATOM 124 N LYS A 8 1.768 10.023 -0.877 1.00 0.00 N ATOM 125 CA LYS A 8 0.612 10.878 -1.027 1.00 0.00 C ATOM 126 C LYS A 8 -0.621 10.005 -0.809 1.00 0.00 C ATOM 127 O LYS A 8 -0.705 8.927 -1.383 1.00 0.00 O ATOM 128 CB LYS A 8 0.582 11.522 -2.414 1.00 0.00 C ATOM 129 CG LYS A 8 1.051 12.968 -2.424 1.00 0.00 C ATOM 130 CD LYS A 8 1.402 13.432 -3.829 1.00 0.00 C ATOM 131 CE LYS A 8 0.257 14.207 -4.463 1.00 0.00 C ATOM 132 NZ LYS A 8 0.010 15.501 -3.766 1.00 0.00 N ATOM 0 H LYS A 8 1.672 9.117 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 8 0.642 11.692 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.210 10.940 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.434 11.476 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.270 13.608 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.922 13.073 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.292 14.060 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.645 12.569 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.484 14.397 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.649 13.602 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.426 16.174 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.629 15.345 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.912 15.888 -3.422 1.00 0.00 H new ATOM 146 N ARG A 9 -1.549 10.409 0.051 1.00 0.00 N ATOM 147 CA ARG A 9 -2.707 9.553 0.317 1.00 0.00 C ATOM 148 C ARG A 9 -4.047 10.261 0.198 1.00 0.00 C ATOM 149 O ARG A 9 -4.244 11.359 0.720 1.00 0.00 O ATOM 150 CB ARG A 9 -2.584 8.934 1.710 1.00 0.00 C ATOM 151 CG ARG A 9 -2.255 9.941 2.800 1.00 0.00 C ATOM 152 CD ARG A 9 -0.984 9.566 3.545 1.00 0.00 C ATOM 153 NE ARG A 9 -0.975 10.078 4.912 1.00 0.00 N ATOM 154 CZ ARG A 9 -0.654 11.330 5.235 1.00 0.00 C ATOM 155 NH1 ARG A 9 -0.318 12.201 4.291 1.00 0.00 N ATOM 156 NH2 ARG A 9 -0.673 11.711 6.504 1.00 0.00 N ATOM 0 H ARG A 9 -1.530 11.292 0.562 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.695 8.786 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.520 8.435 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.809 8.168 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.140 10.931 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.085 10.000 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.883 8.481 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.121 9.957 3.007 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.230 9.439 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.305 11.913 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.073 13.158 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.933 11.046 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.427 12.669 6.752 1.00 0.00 H new ATOM 170 N ASP A 10 -4.984 9.577 -0.457 1.00 0.00 N ATOM 171 CA ASP A 10 -6.341 10.071 -0.613 1.00 0.00 C ATOM 172 C ASP A 10 -7.317 9.006 -0.117 1.00 0.00 C ATOM 173 O ASP A 10 -7.420 7.891 -0.675 1.00 0.00 O ATOM 174 CB ASP A 10 -6.625 10.412 -2.079 1.00 0.00 C ATOM 175 CG ASP A 10 -7.517 11.630 -2.227 1.00 0.00 C ATOM 176 OD1 ASP A 10 -8.273 11.931 -1.278 1.00 0.00 O ATOM 177 OD2 ASP A 10 -7.461 12.282 -3.289 1.00 0.00 O ATOM 0 H ASP A 10 -4.820 8.669 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.464 10.981 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.683 10.590 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.098 9.558 -2.563 1.00 0.00 H new ATOM 182 N ASN A 11 -8.046 9.318 0.935 1.00 0.00 N ATOM 183 CA ASN A 11 -8.961 8.333 1.444 1.00 0.00 C ATOM 184 C ASN A 11 -10.413 8.749 1.266 1.00 0.00 C ATOM 185 O ASN A 11 -10.895 9.671 1.921 1.00 0.00 O ATOM 186 CB ASN A 11 -8.682 8.096 2.931 1.00 0.00 C ATOM 187 CG ASN A 11 -8.512 9.390 3.705 1.00 0.00 C ATOM 188 OD1 ASN A 11 -8.968 10.449 3.277 1.00 0.00 O ATOM 189 ND2 ASN A 11 -7.848 9.309 4.852 1.00 0.00 N ATOM 0 H ASN A 11 -8.023 10.208 1.433 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.806 7.417 0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.502 7.523 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.780 7.493 3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.699 10.146 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.487 8.410 5.170 1.00 0.00 H new ATOM 196 N PRO A 12 -11.144 8.023 0.410 1.00 0.00 N ATOM 197 CA PRO A 12 -12.542 8.236 0.161 1.00 0.00 C ATOM 198 C PRO A 12 -13.321 7.147 0.896 1.00 0.00 C ATOM 199 O PRO A 12 -13.165 6.988 2.107 1.00 0.00 O ATOM 200 CB PRO A 12 -12.589 8.061 -1.352 1.00 0.00 C ATOM 201 CG PRO A 12 -11.603 6.960 -1.619 1.00 0.00 C ATOM 202 CD PRO A 12 -10.671 6.905 -0.420 1.00 0.00 C ATOM 0 HA PRO A 12 -12.963 9.186 0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.589 7.793 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.312 8.980 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.115 6.007 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.044 7.155 -2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.743 5.952 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.628 7.030 -0.712 1.00 0.00 H new ATOM 210 N ILE A 13 -14.112 6.360 0.178 1.00 0.00 N ATOM 211 CA ILE A 13 -14.832 5.268 0.803 1.00 0.00 C ATOM 212 C ILE A 13 -13.871 4.139 1.182 1.00 0.00 C ATOM 213 O ILE A 13 -14.061 3.462 2.192 1.00 0.00 O ATOM 214 CB ILE A 13 -15.946 4.699 -0.113 1.00 0.00 C ATOM 215 CG1 ILE A 13 -15.395 3.607 -1.052 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.609 5.815 -0.909 1.00 0.00 C ATOM 217 CD1 ILE A 13 -14.609 4.140 -2.231 1.00 0.00 C ATOM 0 H ILE A 13 -14.268 6.458 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.302 5.675 1.699 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.700 4.238 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.756 2.938 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -16.228 3.010 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.388 5.395 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.051 6.538 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.863 6.313 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.258 3.307 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.249 4.785 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.754 4.712 -1.870 1.00 0.00 H new ATOM 229 N LEU A 14 -12.873 3.899 0.319 1.00 0.00 N ATOM 230 CA LEU A 14 -11.933 2.799 0.532 1.00 0.00 C ATOM 231 C LEU A 14 -10.544 3.221 1.015 1.00 0.00 C ATOM 232 O LEU A 14 -9.638 2.392 1.048 1.00 0.00 O ATOM 233 CB LEU A 14 -11.839 1.934 -0.735 1.00 0.00 C ATOM 234 CG LEU A 14 -10.844 2.387 -1.809 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.842 3.903 -1.964 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.449 1.870 -1.488 1.00 0.00 C ATOM 0 H LEU A 14 -12.700 4.448 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.343 2.214 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.576 0.920 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.829 1.886 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.160 1.964 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.125 4.189 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.838 4.241 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.562 4.365 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.753 2.199 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.130 2.259 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.464 0.781 -1.454 1.00 0.00 H new ATOM 248 N LYS A 15 -10.383 4.462 1.469 1.00 0.00 N ATOM 249 CA LYS A 15 -9.098 4.887 2.037 1.00 0.00 C ATOM 250 C LYS A 15 -7.881 4.503 1.172 1.00 0.00 C ATOM 251 O LYS A 15 -6.976 3.826 1.659 1.00 0.00 O ATOM 252 CB LYS A 15 -8.970 4.334 3.462 1.00 0.00 C ATOM 253 CG LYS A 15 -9.103 2.821 3.582 1.00 0.00 C ATOM 254 CD LYS A 15 -10.571 2.386 3.624 1.00 0.00 C ATOM 255 CE LYS A 15 -10.955 1.843 4.993 1.00 0.00 C ATOM 256 NZ LYS A 15 -11.854 2.774 5.729 1.00 0.00 N ATOM 0 H LYS A 15 -11.107 5.180 1.458 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.095 5.977 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.002 4.631 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.732 4.801 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.605 2.343 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.596 2.481 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.210 3.234 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.747 1.622 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.449 0.879 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.053 1.669 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.092 2.367 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.373 3.686 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.726 2.920 5.181 1.00 0.00 H new ATOM 270 N ARG A 16 -7.859 4.896 -0.112 1.00 0.00 N ATOM 271 CA ARG A 16 -6.745 4.527 -0.996 1.00 0.00 C ATOM 272 C ARG A 16 -5.673 5.603 -1.040 1.00 0.00 C ATOM 273 O ARG A 16 -5.971 6.784 -0.927 1.00 0.00 O ATOM 274 CB ARG A 16 -7.254 4.260 -2.417 1.00 0.00 C ATOM 275 CG ARG A 16 -7.694 5.512 -3.166 1.00 0.00 C ATOM 276 CD ARG A 16 -7.274 5.468 -4.627 1.00 0.00 C ATOM 277 NE ARG A 16 -8.422 5.351 -5.524 1.00 0.00 N ATOM 278 CZ ARG A 16 -9.191 6.377 -5.883 1.00 0.00 C ATOM 279 NH1 ARG A 16 -8.940 7.598 -5.420 1.00 0.00 N ATOM 280 NH2 ARG A 16 -10.212 6.184 -6.704 1.00 0.00 N ATOM 0 H ARG A 16 -8.586 5.459 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.300 3.620 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.466 3.767 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.093 3.566 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.777 5.613 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.263 6.392 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.714 6.371 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.602 4.624 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.647 4.429 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.155 7.752 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.532 8.381 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.409 5.249 -7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.801 6.970 -6.979 1.00 0.00 H new ATOM 294 N LYS A 17 -4.420 5.209 -1.219 1.00 0.00 N ATOM 295 CA LYS A 17 -3.355 6.205 -1.288 1.00 0.00 C ATOM 296 C LYS A 17 -2.396 5.939 -2.451 1.00 0.00 C ATOM 297 O LYS A 17 -2.322 4.807 -2.957 1.00 0.00 O ATOM 298 CB LYS A 17 -2.645 6.314 0.065 1.00 0.00 C ATOM 299 CG LYS A 17 -1.813 5.105 0.440 1.00 0.00 C ATOM 300 CD LYS A 17 -0.490 5.103 -0.299 1.00 0.00 C ATOM 301 CE LYS A 17 -0.448 3.999 -1.336 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.071 4.487 -2.665 1.00 0.00 N ATOM 0 H LYS A 17 -4.119 4.239 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.801 7.177 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.000 7.193 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.393 6.479 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.633 5.103 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.364 4.194 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.339 6.068 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.327 4.971 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.262 3.235 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.426 3.522 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.923 4.586 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.398 5.411 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.580 3.810 -3.111 1.00 0.00 H new ATOM 316 N GLU A 18 -1.670 7.003 -2.870 1.00 0.00 N ATOM 317 CA GLU A 18 -0.703 6.945 -3.968 1.00 0.00 C ATOM 318 C GLU A 18 0.594 7.588 -3.503 1.00 0.00 C ATOM 319 O GLU A 18 0.644 8.792 -3.254 1.00 0.00 O ATOM 320 CB GLU A 18 -1.216 7.660 -5.216 1.00 0.00 C ATOM 321 CG GLU A 18 -2.667 8.107 -5.131 1.00 0.00 C ATOM 322 CD GLU A 18 -3.140 8.791 -6.400 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.955 10.020 -6.517 1.00 0.00 O ATOM 324 OE2 GLU A 18 -3.697 8.095 -7.276 1.00 0.00 O ATOM 0 H GLU A 18 -1.747 7.927 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.542 5.901 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.590 8.532 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.102 6.996 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.299 7.242 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.785 8.789 -4.289 1.00 0.00 H new ATOM 331 N ILE A 19 1.615 6.785 -3.339 1.00 0.00 N ATOM 332 CA ILE A 19 2.885 7.264 -2.842 1.00 0.00 C ATOM 333 C ILE A 19 4.030 6.793 -3.697 1.00 0.00 C ATOM 334 O ILE A 19 3.983 5.716 -4.279 1.00 0.00 O ATOM 335 CB ILE A 19 3.136 6.839 -1.383 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.672 5.432 -1.309 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.871 6.963 -0.547 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.747 4.425 -1.912 1.00 0.00 C ATOM 0 H ILE A 19 1.593 5.786 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 19 2.831 8.352 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 19 3.886 7.515 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.633 5.387 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.854 5.172 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.080 6.656 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.531 7.999 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.094 6.324 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.187 3.431 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.793 4.445 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.585 4.663 -2.963 1.00 0.00 H new ATOM 350 N LYS A 20 5.063 7.599 -3.761 1.00 0.00 N ATOM 351 CA LYS A 20 6.229 7.233 -4.543 1.00 0.00 C ATOM 352 C LYS A 20 7.255 6.603 -3.609 1.00 0.00 C ATOM 353 O LYS A 20 7.458 7.077 -2.493 1.00 0.00 O ATOM 354 CB LYS A 20 6.828 8.468 -5.203 1.00 0.00 C ATOM 355 CG LYS A 20 8.103 8.931 -4.528 1.00 0.00 C ATOM 356 CD LYS A 20 9.299 8.133 -5.021 1.00 0.00 C ATOM 357 CE LYS A 20 10.539 9.003 -5.155 1.00 0.00 C ATOM 358 NZ LYS A 20 11.747 8.342 -4.586 1.00 0.00 N ATOM 0 H LYS A 20 5.125 8.501 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 20 5.943 6.528 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.035 8.251 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.097 9.276 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.261 9.991 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.008 8.821 -3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.501 7.315 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.064 7.683 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.711 9.230 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.372 9.953 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.231 8.999 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.462 7.490 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.392 8.075 -5.357 1.00 0.00 H new ATOM 372 N TYR A 21 7.857 5.504 -4.033 1.00 0.00 N ATOM 373 CA TYR A 21 8.806 4.815 -3.174 1.00 0.00 C ATOM 374 C TYR A 21 10.052 4.286 -3.898 1.00 0.00 C ATOM 375 O TYR A 21 10.002 3.902 -5.073 1.00 0.00 O ATOM 376 CB TYR A 21 8.070 3.660 -2.484 1.00 0.00 C ATOM 377 CG TYR A 21 8.080 2.365 -3.268 1.00 0.00 C ATOM 378 CD1 TYR A 21 7.821 2.346 -4.633 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.351 1.161 -2.638 1.00 0.00 C ATOM 380 CE1 TYR A 21 7.830 1.162 -5.346 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.364 -0.028 -3.343 1.00 0.00 C ATOM 382 CZ TYR A 21 8.104 -0.022 -4.696 1.00 0.00 C ATOM 383 OH TYR A 21 8.117 -1.203 -5.400 1.00 0.00 O ATOM 0 H TYR A 21 7.710 5.077 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 21 9.182 5.545 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.524 3.485 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.036 3.957 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.609 3.273 -5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.556 1.151 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.624 1.165 -6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.577 -0.957 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 21 8.749 -1.825 -4.983 1.00 0.00 H new ATOM 393 N VAL A 22 11.145 4.200 -3.136 1.00 0.00 N ATOM 394 CA VAL A 22 12.409 3.624 -3.622 1.00 0.00 C ATOM 395 C VAL A 22 12.954 2.686 -2.554 1.00 0.00 C ATOM 396 O VAL A 22 13.061 3.062 -1.397 1.00 0.00 O ATOM 397 CB VAL A 22 13.523 4.662 -3.974 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.916 4.146 -3.589 1.00 0.00 C ATOM 399 CG2 VAL A 22 13.520 4.974 -5.459 1.00 0.00 C ATOM 0 H VAL A 22 11.183 4.525 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 22 12.164 3.116 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 22 13.304 5.565 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.665 4.894 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.950 3.955 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.124 3.222 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.304 5.699 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.702 4.059 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.552 5.388 -5.742 1.00 0.00 H new ATOM 409 N LEU A 23 13.339 1.488 -2.939 1.00 0.00 N ATOM 410 CA LEU A 23 13.897 0.557 -2.021 1.00 0.00 C ATOM 411 C LEU A 23 15.360 0.456 -2.363 1.00 0.00 C ATOM 412 O LEU A 23 15.713 0.128 -3.497 1.00 0.00 O ATOM 413 CB LEU A 23 13.208 -0.816 -2.151 1.00 0.00 C ATOM 414 CG LEU A 23 13.827 -1.969 -1.340 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.994 -2.263 -0.098 1.00 0.00 C ATOM 416 CD2 LEU A 23 13.950 -3.232 -2.189 1.00 0.00 C ATOM 0 H LEU A 23 13.268 1.146 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 23 13.755 0.883 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.166 -0.706 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.207 -1.100 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 23 14.825 -1.657 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.449 -3.081 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.952 -1.374 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.984 -2.545 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.390 -4.031 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.961 -3.538 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.586 -3.031 -3.051 1.00 0.00 H new ATOM 428 N LYS A 24 16.220 0.749 -1.414 1.00 0.00 N ATOM 429 CA LYS A 24 17.631 0.688 -1.697 1.00 0.00 C ATOM 430 C LYS A 24 18.155 -0.601 -1.154 1.00 0.00 C ATOM 431 O LYS A 24 18.045 -0.896 0.024 1.00 0.00 O ATOM 432 CB LYS A 24 18.367 1.865 -1.056 1.00 0.00 C ATOM 433 CG LYS A 24 17.637 3.188 -1.193 1.00 0.00 C ATOM 434 CD LYS A 24 18.369 4.301 -0.465 1.00 0.00 C ATOM 435 CE LYS A 24 18.179 5.637 -1.160 1.00 0.00 C ATOM 436 NZ LYS A 24 19.394 6.050 -1.919 1.00 0.00 N ATOM 0 H LYS A 24 15.974 1.025 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 24 17.793 0.744 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.521 1.653 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.354 1.956 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.539 3.444 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.628 3.092 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.005 4.368 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.432 4.065 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.330 5.574 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.937 6.400 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.518 7.080 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.229 5.571 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.284 5.788 -2.919 1.00 0.00 H new ATOM 450 N PHE A 25 18.700 -1.387 -2.039 1.00 0.00 N ATOM 451 CA PHE A 25 19.193 -2.675 -1.661 1.00 0.00 C ATOM 452 C PHE A 25 20.704 -2.731 -1.786 1.00 0.00 C ATOM 453 O PHE A 25 21.276 -2.291 -2.782 1.00 0.00 O ATOM 454 CB PHE A 25 18.502 -3.733 -2.527 1.00 0.00 C ATOM 455 CG PHE A 25 17.951 -3.219 -3.832 1.00 0.00 C ATOM 456 CD1 PHE A 25 16.720 -2.578 -3.883 1.00 0.00 C ATOM 457 CD2 PHE A 25 18.661 -3.382 -5.013 1.00 0.00 C ATOM 458 CE1 PHE A 25 16.212 -2.115 -5.083 1.00 0.00 C ATOM 459 CE2 PHE A 25 18.157 -2.920 -6.213 1.00 0.00 C ATOM 460 CZ PHE A 25 16.932 -2.286 -6.248 1.00 0.00 C ATOM 0 H PHE A 25 18.813 -1.156 -3.026 1.00 0.00 H new ATOM 0 HA PHE A 25 18.963 -2.874 -0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 25 19.214 -4.531 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.687 -4.176 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.153 -2.439 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 25 19.621 -3.877 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.252 -1.620 -5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.722 -3.055 -7.124 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.537 -1.924 -7.186 1.00 0.00 H new ATOM 470 N ASP A 26 21.342 -3.255 -0.750 1.00 0.00 N ATOM 471 CA ASP A 26 22.804 -3.344 -0.729 1.00 0.00 C ATOM 472 C ASP A 26 23.295 -4.697 -0.227 1.00 0.00 C ATOM 473 O ASP A 26 22.513 -5.528 0.236 1.00 0.00 O ATOM 474 CB ASP A 26 23.386 -2.228 0.140 1.00 0.00 C ATOM 475 CG ASP A 26 22.688 -2.115 1.481 1.00 0.00 C ATOM 476 OD1 ASP A 26 21.525 -1.661 1.508 1.00 0.00 O ATOM 477 OD2 ASP A 26 23.305 -2.481 2.504 1.00 0.00 O ATOM 0 H ASP A 26 20.881 -3.623 0.082 1.00 0.00 H new ATOM 0 HA ASP A 26 23.148 -3.231 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.448 -2.413 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.305 -1.279 -0.390 1.00 0.00 H new ATOM 567 N ARG A 33 9.777 -10.603 2.194 1.00 0.00 N ATOM 568 CA ARG A 33 8.368 -10.234 2.135 1.00 0.00 C ATOM 569 C ARG A 33 8.082 -9.032 3.034 1.00 0.00 C ATOM 570 O ARG A 33 7.465 -8.056 2.614 1.00 0.00 O ATOM 571 CB ARG A 33 7.485 -11.416 2.542 1.00 0.00 C ATOM 572 CG ARG A 33 7.740 -11.916 3.955 1.00 0.00 C ATOM 573 CD ARG A 33 7.126 -13.288 4.181 1.00 0.00 C ATOM 574 NE ARG A 33 7.234 -13.714 5.575 1.00 0.00 N ATOM 575 CZ ARG A 33 6.923 -14.935 6.004 1.00 0.00 C ATOM 576 NH1 ARG A 33 6.481 -15.853 5.152 1.00 0.00 N ATOM 577 NH2 ARG A 33 7.052 -15.239 7.287 1.00 0.00 N ATOM 0 HA ARG A 33 8.135 -9.959 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.439 -11.123 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.646 -12.236 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.814 -11.963 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.325 -11.208 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.076 -13.268 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.622 -14.017 3.540 1.00 0.00 H new ATOM 0 HE ARG A 33 7.567 -13.035 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.378 -15.624 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.244 -16.787 5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.390 -14.537 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.814 -16.175 7.616 1.00 0.00 H new ATOM 591 N GLU A 34 8.542 -9.132 4.278 1.00 0.00 N ATOM 592 CA GLU A 34 8.357 -8.082 5.277 1.00 0.00 C ATOM 593 C GLU A 34 9.286 -6.893 5.069 1.00 0.00 C ATOM 594 O GLU A 34 8.869 -5.741 5.200 1.00 0.00 O ATOM 595 CB GLU A 34 8.570 -8.657 6.679 1.00 0.00 C ATOM 596 CG GLU A 34 7.778 -7.935 7.757 1.00 0.00 C ATOM 597 CD GLU A 34 6.452 -8.606 8.053 1.00 0.00 C ATOM 598 OE1 GLU A 34 5.474 -8.333 7.324 1.00 0.00 O ATOM 599 OE2 GLU A 34 6.388 -9.402 9.012 1.00 0.00 O ATOM 0 H GLU A 34 9.054 -9.944 4.623 1.00 0.00 H new ATOM 0 HA GLU A 34 7.336 -7.716 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.290 -9.710 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.631 -8.610 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.371 -7.891 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.599 -6.906 7.444 1.00 0.00 H new ATOM 606 N GLU A 35 10.561 -7.172 4.815 1.00 0.00 N ATOM 607 CA GLU A 35 11.552 -6.113 4.677 1.00 0.00 C ATOM 608 C GLU A 35 11.208 -5.103 3.586 1.00 0.00 C ATOM 609 O GLU A 35 11.176 -3.912 3.857 1.00 0.00 O ATOM 610 CB GLU A 35 12.931 -6.714 4.404 1.00 0.00 C ATOM 611 CG GLU A 35 13.332 -7.791 5.400 1.00 0.00 C ATOM 612 CD GLU A 35 14.782 -8.212 5.254 1.00 0.00 C ATOM 613 OE1 GLU A 35 15.660 -7.514 5.800 1.00 0.00 O ATOM 614 OE2 GLU A 35 15.038 -9.241 4.594 1.00 0.00 O ATOM 0 H GLU A 35 10.929 -8.116 4.701 1.00 0.00 H new ATOM 0 HA GLU A 35 11.556 -5.571 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.942 -7.137 3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.675 -5.918 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.165 -7.424 6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.690 -8.661 5.266 1.00 0.00 H new ATOM 621 N ILE A 36 10.940 -5.557 2.366 1.00 0.00 N ATOM 622 CA ILE A 36 10.604 -4.622 1.290 1.00 0.00 C ATOM 623 C ILE A 36 9.178 -4.097 1.436 1.00 0.00 C ATOM 624 O ILE A 36 8.948 -2.899 1.463 1.00 0.00 O ATOM 625 CB ILE A 36 10.786 -5.253 -0.114 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.422 -4.244 -1.208 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.948 -6.514 -0.258 1.00 0.00 C ATOM 628 CD1 ILE A 36 10.521 -4.807 -2.610 1.00 0.00 C ATOM 0 H ILE A 36 10.947 -6.541 2.098 1.00 0.00 H new ATOM 0 HA ILE A 36 11.301 -3.789 1.380 1.00 0.00 H new ATOM 0 HB ILE A 36 11.835 -5.527 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.405 -3.889 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.080 -3.379 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.094 -6.936 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.253 -7.242 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.895 -6.269 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.249 -4.037 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.543 -5.136 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.843 -5.654 -2.711 1.00 0.00 H new ATOM 640 N LYS A 37 8.236 -5.017 1.519 1.00 0.00 N ATOM 641 CA LYS A 37 6.807 -4.690 1.645 1.00 0.00 C ATOM 642 C LYS A 37 6.502 -3.803 2.831 1.00 0.00 C ATOM 643 O LYS A 37 5.879 -2.759 2.673 1.00 0.00 O ATOM 644 CB LYS A 37 5.970 -5.966 1.719 1.00 0.00 C ATOM 645 CG LYS A 37 4.489 -5.738 1.465 1.00 0.00 C ATOM 646 CD LYS A 37 3.628 -6.618 2.358 1.00 0.00 C ATOM 647 CE LYS A 37 3.774 -6.240 3.824 1.00 0.00 C ATOM 648 NZ LYS A 37 3.682 -7.429 4.715 1.00 0.00 N ATOM 0 H LYS A 37 8.429 -6.018 1.502 1.00 0.00 H new ATOM 0 HA LYS A 37 6.542 -4.126 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.349 -6.682 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.096 -6.417 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.246 -4.690 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.262 -5.946 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.583 -6.528 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.909 -7.662 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.733 -5.744 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.998 -5.523 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.111 -7.207 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.683 -7.685 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.188 -8.228 4.282 1.00 0.00 H new ATOM 662 N GLU A 38 6.909 -4.194 4.009 1.00 0.00 N ATOM 663 CA GLU A 38 6.628 -3.371 5.158 1.00 0.00 C ATOM 664 C GLU A 38 7.420 -2.071 5.070 1.00 0.00 C ATOM 665 O GLU A 38 6.869 -0.985 5.214 1.00 0.00 O ATOM 666 CB GLU A 38 6.897 -4.145 6.439 1.00 0.00 C ATOM 667 CG GLU A 38 8.190 -3.773 7.160 1.00 0.00 C ATOM 668 CD GLU A 38 8.320 -4.450 8.511 1.00 0.00 C ATOM 669 OE1 GLU A 38 7.411 -5.223 8.880 1.00 0.00 O ATOM 670 OE2 GLU A 38 9.332 -4.205 9.202 1.00 0.00 O ATOM 0 H GLU A 38 7.423 -5.054 4.198 1.00 0.00 H new ATOM 0 HA GLU A 38 5.572 -3.101 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.061 -3.990 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.923 -5.209 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.041 -4.048 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.229 -2.692 7.294 1.00 0.00 H new ATOM 677 N LEU A 39 8.709 -2.171 4.791 1.00 0.00 N ATOM 678 CA LEU A 39 9.524 -0.979 4.663 1.00 0.00 C ATOM 679 C LEU A 39 8.909 -0.026 3.628 1.00 0.00 C ATOM 680 O LEU A 39 8.947 1.191 3.801 1.00 0.00 O ATOM 681 CB LEU A 39 10.952 -1.371 4.284 1.00 0.00 C ATOM 682 CG LEU A 39 11.738 -0.335 3.493 1.00 0.00 C ATOM 683 CD1 LEU A 39 13.187 -0.289 3.953 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.652 -0.650 2.009 1.00 0.00 C ATOM 0 H LEU A 39 9.206 -3.051 4.651 1.00 0.00 H new ATOM 0 HA LEU A 39 9.557 -0.454 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.501 -1.595 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.913 -2.292 3.702 1.00 0.00 H new ATOM 0 HG LEU A 39 11.303 0.648 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.729 0.458 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.225 -0.026 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.647 -1.266 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.216 0.094 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.069 -1.640 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.609 -0.631 1.693 1.00 0.00 H new ATOM 696 N ILE A 40 8.335 -0.590 2.557 1.00 0.00 N ATOM 697 CA ILE A 40 7.714 0.224 1.514 1.00 0.00 C ATOM 698 C ILE A 40 6.348 0.760 1.931 1.00 0.00 C ATOM 699 O ILE A 40 6.140 1.952 1.881 1.00 0.00 O ATOM 700 CB ILE A 40 7.629 -0.508 0.159 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.647 -1.661 0.205 1.00 0.00 C ATOM 702 CG2 ILE A 40 9.009 -1.007 -0.260 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.703 -2.509 -1.040 1.00 0.00 C ATOM 0 H ILE A 40 8.290 -1.596 2.394 1.00 0.00 H new ATOM 0 HA ILE A 40 8.375 1.080 1.378 1.00 0.00 H new ATOM 0 HB ILE A 40 7.266 0.207 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.860 -2.282 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.637 -1.271 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.934 -1.522 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.689 -0.160 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.391 -1.696 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.981 -3.322 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.463 -1.896 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.705 -2.923 -1.153 1.00 0.00 H new ATOM 715 N ALA A 41 5.431 -0.101 2.358 1.00 0.00 N ATOM 716 CA ALA A 41 4.095 0.353 2.782 1.00 0.00 C ATOM 717 C ALA A 41 4.149 1.272 3.984 1.00 0.00 C ATOM 718 O ALA A 41 3.550 2.357 4.011 1.00 0.00 O ATOM 719 CB ALA A 41 3.221 -0.831 3.141 1.00 0.00 C ATOM 0 H ALA A 41 5.577 -1.108 2.423 1.00 0.00 H new ATOM 0 HA ALA A 41 3.679 0.902 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.238 -0.477 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.114 -1.481 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.681 -1.388 3.957 1.00 0.00 H new ATOM 725 N LYS A 42 4.850 0.807 4.990 1.00 0.00 N ATOM 726 CA LYS A 42 4.964 1.532 6.225 1.00 0.00 C ATOM 727 C LYS A 42 5.474 2.928 5.948 1.00 0.00 C ATOM 728 O LYS A 42 4.817 3.908 6.309 1.00 0.00 O ATOM 729 CB LYS A 42 5.833 0.706 7.172 1.00 0.00 C ATOM 730 CG LYS A 42 5.321 -0.740 7.264 1.00 0.00 C ATOM 731 CD LYS A 42 5.865 -1.478 8.474 1.00 0.00 C ATOM 732 CE LYS A 42 4.998 -2.682 8.820 1.00 0.00 C ATOM 733 NZ LYS A 42 4.251 -2.481 10.094 1.00 0.00 N ATOM 0 H LYS A 42 5.354 -0.080 4.973 1.00 0.00 H new ATOM 0 HA LYS A 42 4.002 1.674 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.865 0.709 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.832 1.160 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.232 -0.733 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.601 -1.279 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.885 -1.806 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.909 -0.801 9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.292 -2.866 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.625 -3.569 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.673 -3.322 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.925 -2.331 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.633 -1.649 10.006 1.00 0.00 H new ATOM 747 N HIS A 43 6.566 3.019 5.200 1.00 0.00 N ATOM 748 CA HIS A 43 7.087 4.309 4.785 1.00 0.00 C ATOM 749 C HIS A 43 6.061 4.990 3.909 1.00 0.00 C ATOM 750 O HIS A 43 5.774 6.172 4.049 1.00 0.00 O ATOM 751 CB HIS A 43 8.345 4.134 3.962 1.00 0.00 C ATOM 752 CG HIS A 43 9.594 3.986 4.775 1.00 0.00 C ATOM 753 ND1 HIS A 43 9.864 2.873 5.544 1.00 0.00 N ATOM 754 CD2 HIS A 43 10.650 4.817 4.935 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.031 3.028 6.143 1.00 0.00 C ATOM 756 NE2 HIS A 43 11.528 4.199 5.791 1.00 0.00 N ATOM 0 H HIS A 43 7.104 2.217 4.871 1.00 0.00 H new ATOM 0 HA HIS A 43 7.307 4.898 5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.231 3.255 3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.455 4.993 3.300 1.00 0.00 H new ATOM 0 HD1 HIS A 43 9.257 2.058 5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.778 5.786 4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.499 2.317 6.808 1.00 0.00 H new ATOM 765 N GLU A 44 5.505 4.196 3.002 1.00 0.00 N ATOM 766 CA GLU A 44 4.493 4.652 2.070 1.00 0.00 C ATOM 767 C GLU A 44 3.376 5.380 2.788 1.00 0.00 C ATOM 768 O GLU A 44 2.546 6.041 2.164 1.00 0.00 O ATOM 769 CB GLU A 44 3.990 3.490 1.234 1.00 0.00 C ATOM 770 CG GLU A 44 4.952 3.133 0.096 1.00 0.00 C ATOM 771 CD GLU A 44 4.852 1.697 -0.362 1.00 0.00 C ATOM 772 OE1 GLU A 44 3.981 0.967 0.145 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.645 1.304 -1.244 1.00 0.00 O ATOM 0 H GLU A 44 5.749 3.211 2.896 1.00 0.00 H new ATOM 0 HA GLU A 44 4.940 5.375 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.849 2.619 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.015 3.741 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.756 3.789 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.973 3.330 0.422 1.00 0.00 H new ATOM 780 N GLY A 45 3.368 5.269 4.107 1.00 0.00 N ATOM 781 CA GLY A 45 2.365 5.936 4.886 1.00 0.00 C ATOM 782 C GLY A 45 1.291 4.963 5.268 1.00 0.00 C ATOM 783 O GLY A 45 0.128 5.335 5.430 1.00 0.00 O ATOM 0 H GLY A 45 4.042 4.726 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.813 6.367 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.936 6.760 4.316 1.00 0.00 H new ATOM 787 N VAL A 46 1.663 3.685 5.324 1.00 0.00 N ATOM 788 CA VAL A 46 0.681 2.650 5.589 1.00 0.00 C ATOM 789 C VAL A 46 1.245 1.377 6.227 1.00 0.00 C ATOM 790 O VAL A 46 2.446 1.178 6.276 1.00 0.00 O ATOM 791 CB VAL A 46 -0.037 2.309 4.283 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.306 3.145 4.160 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.887 2.548 3.081 1.00 0.00 C ATOM 0 H VAL A 46 2.618 3.352 5.192 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.007 3.057 6.330 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.309 1.254 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.815 2.899 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.966 2.931 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.046 4.204 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.358 2.300 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.187 3.595 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.772 1.919 3.172 1.00 0.00 H new ATOM 803 N ASP A 47 0.350 0.510 6.700 1.00 0.00 N ATOM 804 CA ASP A 47 0.740 -0.754 7.330 1.00 0.00 C ATOM 805 C ASP A 47 1.098 -1.834 6.296 1.00 0.00 C ATOM 806 O ASP A 47 1.098 -1.587 5.092 1.00 0.00 O ATOM 807 CB ASP A 47 -0.389 -1.270 8.218 1.00 0.00 C ATOM 808 CG ASP A 47 -1.046 -0.167 9.026 1.00 0.00 C ATOM 809 OD1 ASP A 47 -0.316 0.604 9.682 1.00 0.00 O ATOM 810 OD2 ASP A 47 -2.292 -0.076 9.002 1.00 0.00 O ATOM 0 H ASP A 47 -0.658 0.661 6.659 1.00 0.00 H new ATOM 0 HA ASP A 47 1.628 -0.550 7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.141 -1.758 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.004 -2.027 8.896 1.00 0.00 H new ATOM 815 N LYS A 48 1.399 -3.033 6.803 1.00 0.00 N ATOM 816 CA LYS A 48 1.770 -4.186 5.979 1.00 0.00 C ATOM 817 C LYS A 48 0.597 -4.712 5.153 1.00 0.00 C ATOM 818 O LYS A 48 0.789 -5.322 4.105 1.00 0.00 O ATOM 819 CB LYS A 48 2.317 -5.308 6.864 1.00 0.00 C ATOM 820 CG LYS A 48 1.426 -5.632 8.054 1.00 0.00 C ATOM 821 CD LYS A 48 1.336 -7.131 8.290 1.00 0.00 C ATOM 822 CE LYS A 48 1.140 -7.453 9.762 1.00 0.00 C ATOM 823 NZ LYS A 48 -0.246 -7.154 10.219 1.00 0.00 N ATOM 0 H LYS A 48 1.392 -3.232 7.803 1.00 0.00 H new ATOM 0 HA LYS A 48 2.539 -3.849 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.444 -6.207 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.305 -5.025 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.818 -5.145 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.428 -5.229 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.507 -7.542 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.245 -7.612 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.359 -8.507 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.850 -6.878 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.337 -7.388 11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.448 -6.143 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.923 -7.722 9.670 1.00 0.00 H new ATOM 837 N GLU A 49 -0.616 -4.502 5.636 1.00 0.00 N ATOM 838 CA GLU A 49 -1.802 -4.977 4.924 1.00 0.00 C ATOM 839 C GLU A 49 -2.069 -4.110 3.694 1.00 0.00 C ATOM 840 O GLU A 49 -2.410 -4.602 2.624 1.00 0.00 O ATOM 841 CB GLU A 49 -3.012 -4.950 5.855 1.00 0.00 C ATOM 842 CG GLU A 49 -3.493 -6.326 6.286 1.00 0.00 C ATOM 843 CD GLU A 49 -3.732 -7.259 5.115 1.00 0.00 C ATOM 844 OE1 GLU A 49 -2.758 -7.889 4.648 1.00 0.00 O ATOM 845 OE2 GLU A 49 -4.892 -7.364 4.666 1.00 0.00 O ATOM 0 H GLU A 49 -0.810 -4.011 6.509 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.626 -6.001 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.761 -4.370 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.830 -4.431 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.755 -6.771 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.417 -6.221 6.855 1.00 0.00 H new ATOM 852 N LEU A 50 -1.923 -2.811 3.889 1.00 0.00 N ATOM 853 CA LEU A 50 -2.151 -1.805 2.880 1.00 0.00 C ATOM 854 C LEU A 50 -1.040 -1.722 1.841 1.00 0.00 C ATOM 855 O LEU A 50 -0.926 -0.708 1.181 1.00 0.00 O ATOM 856 CB LEU A 50 -2.272 -0.435 3.582 1.00 0.00 C ATOM 857 CG LEU A 50 -2.608 -0.445 5.091 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.005 0.946 5.557 1.00 0.00 C ATOM 859 CD2 LEU A 50 -3.715 -1.445 5.429 1.00 0.00 C ATOM 0 H LEU A 50 -1.633 -2.420 4.785 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.062 -2.080 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.331 0.098 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.041 0.142 3.068 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.707 -0.760 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.238 0.920 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.180 1.637 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.882 1.279 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.917 -1.416 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.621 -1.184 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.397 -2.449 5.146 1.00 0.00 H new ATOM 871 N VAL A 51 -0.210 -2.751 1.675 1.00 0.00 N ATOM 872 CA VAL A 51 0.868 -2.635 0.689 1.00 0.00 C ATOM 873 C VAL A 51 0.571 -3.293 -0.656 1.00 0.00 C ATOM 874 O VAL A 51 0.510 -4.517 -0.769 1.00 0.00 O ATOM 875 CB VAL A 51 2.165 -3.268 1.222 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.365 -2.445 0.802 1.00 0.00 C ATOM 877 CG2 VAL A 51 2.110 -3.439 2.734 1.00 0.00 C ATOM 0 H VAL A 51 -0.255 -3.635 2.182 1.00 0.00 H new ATOM 0 HA VAL A 51 0.969 -1.562 0.528 1.00 0.00 H new ATOM 0 HB VAL A 51 2.267 -4.262 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.275 -2.906 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.413 -2.401 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.272 -1.436 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.040 -3.888 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.978 -2.465 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.273 -4.086 2.997 1.00 0.00 H new ATOM 887 N ILE A 52 0.494 -2.456 -1.690 1.00 0.00 N ATOM 888 CA ILE A 52 0.331 -2.917 -3.066 1.00 0.00 C ATOM 889 C ILE A 52 1.333 -2.191 -3.964 1.00 0.00 C ATOM 890 O ILE A 52 1.111 -1.031 -4.294 1.00 0.00 O ATOM 891 CB ILE A 52 -1.099 -2.680 -3.609 1.00 0.00 C ATOM 892 CG1 ILE A 52 -2.063 -2.311 -2.479 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.593 -3.916 -4.346 1.00 0.00 C ATOM 894 CD1 ILE A 52 -3.416 -1.842 -2.968 1.00 0.00 C ATOM 0 H ILE A 52 0.543 -1.441 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 52 0.510 -3.992 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.064 -1.844 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.200 -3.177 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.613 -1.526 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.600 -3.737 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.926 -4.133 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.607 -4.765 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.047 -1.598 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.291 -0.957 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.886 -2.633 -3.552 1.00 0.00 H new ATOM 906 N VAL A 53 2.413 -2.833 -4.393 1.00 0.00 N ATOM 907 CA VAL A 53 3.360 -2.136 -5.271 1.00 0.00 C ATOM 908 C VAL A 53 3.796 -3.012 -6.447 1.00 0.00 C ATOM 909 O VAL A 53 4.444 -4.044 -6.272 1.00 0.00 O ATOM 910 CB VAL A 53 4.585 -1.571 -4.489 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.251 -1.343 -3.020 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.808 -2.463 -4.608 1.00 0.00 C ATOM 0 H VAL A 53 2.654 -3.797 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 53 2.828 -1.279 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 53 4.824 -0.612 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.127 -0.949 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.431 -0.629 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.956 -2.288 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.633 -2.026 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.579 -3.450 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.091 -2.554 -5.657 1.00 0.00 H new ATOM 922 N ASP A 54 3.412 -2.588 -7.653 1.00 0.00 N ATOM 923 CA ASP A 54 3.736 -3.317 -8.878 1.00 0.00 C ATOM 924 C ASP A 54 4.662 -2.517 -9.798 1.00 0.00 C ATOM 925 O ASP A 54 4.688 -1.288 -9.760 1.00 0.00 O ATOM 926 CB ASP A 54 2.451 -3.678 -9.626 1.00 0.00 C ATOM 927 CG ASP A 54 2.513 -5.065 -10.239 1.00 0.00 C ATOM 928 OD1 ASP A 54 2.431 -6.054 -9.479 1.00 0.00 O ATOM 929 OD2 ASP A 54 2.646 -5.162 -11.476 1.00 0.00 O ATOM 0 H ASP A 54 2.872 -1.736 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 54 4.264 -4.225 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.606 -3.624 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.272 -2.944 -10.411 1.00 0.00 H new ATOM 934 N ASN A 55 5.396 -3.237 -10.646 1.00 0.00 N ATOM 935 CA ASN A 55 6.303 -2.626 -11.619 1.00 0.00 C ATOM 936 C ASN A 55 7.512 -1.955 -10.957 1.00 0.00 C ATOM 937 O ASN A 55 8.531 -2.606 -10.726 1.00 0.00 O ATOM 938 CB ASN A 55 5.545 -1.627 -12.501 1.00 0.00 C ATOM 939 CG ASN A 55 6.443 -0.945 -13.517 1.00 0.00 C ATOM 940 OD1 ASN A 55 6.945 -1.582 -14.442 1.00 0.00 O ATOM 941 ND2 ASN A 55 6.648 0.356 -13.348 1.00 0.00 N ATOM 0 H ASN A 55 5.379 -4.256 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 55 6.693 -3.430 -12.243 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.741 -2.146 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.079 -0.871 -11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.243 0.868 -14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.211 0.844 -12.566 1.00 0.00 H new ATOM 948 N ASN A 56 7.404 -0.650 -10.674 1.00 0.00 N ATOM 949 CA ASN A 56 8.497 0.107 -10.060 1.00 0.00 C ATOM 950 C ASN A 56 9.511 0.552 -11.115 1.00 0.00 C ATOM 951 O ASN A 56 10.269 -0.266 -11.640 1.00 0.00 O ATOM 952 CB ASN A 56 9.205 -0.722 -8.979 1.00 0.00 C ATOM 953 CG ASN A 56 8.230 -1.491 -8.109 1.00 0.00 C ATOM 954 OD1 ASN A 56 8.477 -2.645 -7.751 1.00 0.00 O ATOM 955 ND2 ASN A 56 7.116 -0.857 -7.764 1.00 0.00 N ATOM 0 H ASN A 56 6.567 -0.098 -10.862 1.00 0.00 H new ATOM 0 HA ASN A 56 8.061 0.990 -9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.893 -1.421 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.804 -0.061 -8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.423 -1.325 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.953 0.098 -8.083 1.00 0.00 H new ATOM 962 N LYS A 57 9.539 1.855 -11.413 1.00 0.00 N ATOM 963 CA LYS A 57 10.491 2.380 -12.396 1.00 0.00 C ATOM 964 C LYS A 57 11.865 2.483 -11.753 1.00 0.00 C ATOM 965 O LYS A 57 12.068 3.246 -10.813 1.00 0.00 O ATOM 966 CB LYS A 57 10.063 3.750 -12.959 1.00 0.00 C ATOM 967 CG LYS A 57 9.174 4.590 -12.045 1.00 0.00 C ATOM 968 CD LYS A 57 9.988 5.379 -11.023 1.00 0.00 C ATOM 969 CE LYS A 57 9.181 6.522 -10.403 1.00 0.00 C ATOM 970 NZ LYS A 57 7.723 6.415 -10.693 1.00 0.00 N ATOM 0 H LYS A 57 8.925 2.555 -10.996 1.00 0.00 H new ATOM 0 HA LYS A 57 10.518 1.688 -13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.960 4.324 -13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.536 3.588 -13.899 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.583 5.279 -12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.472 3.939 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.329 4.707 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.878 5.784 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.334 6.527 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.555 7.473 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.197 7.060 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.547 6.673 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.407 5.438 -10.527 1.00 0.00 H new ATOM 984 N GLN A 58 12.802 1.684 -12.244 1.00 0.00 N ATOM 985 CA GLN A 58 14.142 1.658 -11.677 1.00 0.00 C ATOM 986 C GLN A 58 15.069 2.689 -12.302 1.00 0.00 C ATOM 987 O GLN A 58 15.178 2.801 -13.523 1.00 0.00 O ATOM 988 CB GLN A 58 14.749 0.263 -11.831 1.00 0.00 C ATOM 989 CG GLN A 58 15.915 -0.001 -10.891 1.00 0.00 C ATOM 990 CD GLN A 58 17.253 0.017 -11.602 1.00 0.00 C ATOM 991 OE1 GLN A 58 17.401 -0.548 -12.685 1.00 0.00 O ATOM 992 NE2 GLN A 58 18.238 0.665 -10.992 1.00 0.00 N ATOM 0 H GLN A 58 12.660 1.049 -13.029 1.00 0.00 H new ATOM 0 HA GLN A 58 14.042 1.912 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.974 -0.483 -11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.086 0.134 -12.860 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.917 0.750 -10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.777 -0.969 -10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.070 1.119 -10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.162 0.708 -11.421 1.00 0.00 H new ATOM 1063 N HIS A 63 21.751 1.414 -7.507 1.00 0.00 N ATOM 1064 CA HIS A 63 21.407 0.014 -7.261 1.00 0.00 C ATOM 1065 C HIS A 63 20.158 -0.100 -6.392 1.00 0.00 C ATOM 1066 O HIS A 63 20.023 -1.032 -5.599 1.00 0.00 O ATOM 1067 CB HIS A 63 22.576 -0.722 -6.603 1.00 0.00 C ATOM 1068 CG HIS A 63 23.770 -0.866 -7.493 1.00 0.00 C ATOM 1069 ND1 HIS A 63 23.802 -1.711 -8.582 1.00 0.00 N ATOM 1070 CD2 HIS A 63 24.983 -0.263 -7.453 1.00 0.00 C ATOM 1071 CE1 HIS A 63 24.980 -1.623 -9.173 1.00 0.00 C ATOM 1072 NE2 HIS A 63 25.714 -0.752 -8.509 1.00 0.00 N ATOM 0 HA HIS A 63 21.198 -0.451 -8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.869 -0.187 -5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.243 -1.712 -6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.313 0.465 -6.727 1.00 0.00 H new ATOM 0 HE1 HIS A 63 25.289 -2.171 -10.051 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.670 -0.484 -8.742 1.00 0.00 H new ATOM 1081 N GLU A 64 19.251 0.859 -6.543 1.00 0.00 N ATOM 1082 CA GLU A 64 18.026 0.901 -5.797 1.00 0.00 C ATOM 1083 C GLU A 64 16.880 1.023 -6.782 1.00 0.00 C ATOM 1084 O GLU A 64 17.091 1.436 -7.923 1.00 0.00 O ATOM 1085 CB GLU A 64 18.079 2.055 -4.807 1.00 0.00 C ATOM 1086 CG GLU A 64 19.383 2.057 -4.019 1.00 0.00 C ATOM 1087 CD GLU A 64 19.719 3.419 -3.441 1.00 0.00 C ATOM 1088 OE1 GLU A 64 19.107 4.416 -3.879 1.00 0.00 O ATOM 1089 OE2 GLU A 64 20.595 3.488 -2.553 1.00 0.00 O ATOM 0 H GLU A 64 19.360 1.633 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 64 17.877 -0.008 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.975 2.999 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.237 1.984 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.314 1.331 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.196 1.733 -4.669 1.00 0.00 H new ATOM 1096 N ILE A 65 15.687 0.615 -6.389 1.00 0.00 N ATOM 1097 CA ILE A 65 14.569 0.644 -7.316 1.00 0.00 C ATOM 1098 C ILE A 65 13.547 1.677 -6.897 1.00 0.00 C ATOM 1099 O ILE A 65 13.229 1.829 -5.722 1.00 0.00 O ATOM 1100 CB ILE A 65 13.888 -0.740 -7.415 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.236 -0.919 -8.787 1.00 0.00 C ATOM 1102 CG2 ILE A 65 12.857 -0.926 -6.307 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.503 -2.234 -8.938 1.00 0.00 C ATOM 0 H ILE A 65 15.469 0.267 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 65 14.968 0.911 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 65 14.657 -1.503 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.537 -0.100 -8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.004 -0.849 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.394 -1.908 -6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.348 -0.848 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.091 -0.155 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.065 -2.294 -9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.202 -3.058 -8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.713 -2.298 -8.190 1.00 0.00 H new ATOM 1115 N GLU A 66 13.082 2.405 -7.895 1.00 0.00 N ATOM 1116 CA GLU A 66 12.130 3.477 -7.707 1.00 0.00 C ATOM 1117 C GLU A 66 10.832 3.167 -8.416 1.00 0.00 C ATOM 1118 O GLU A 66 10.772 2.280 -9.267 1.00 0.00 O ATOM 1119 CB GLU A 66 12.718 4.776 -8.269 1.00 0.00 C ATOM 1120 CG GLU A 66 11.851 5.997 -8.025 1.00 0.00 C ATOM 1121 CD GLU A 66 12.658 7.276 -7.931 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.432 7.421 -6.961 1.00 0.00 O ATOM 1123 OE2 GLU A 66 12.515 8.137 -8.826 1.00 0.00 O ATOM 0 H GLU A 66 13.359 2.265 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 66 11.928 3.586 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.698 4.943 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.872 4.660 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.124 6.089 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.287 5.859 -7.102 1.00 0.00 H new ATOM 1130 N GLY A 67 9.788 3.888 -8.058 1.00 0.00 N ATOM 1131 CA GLY A 67 8.508 3.668 -8.680 1.00 0.00 C ATOM 1132 C GLY A 67 7.389 4.304 -7.910 1.00 0.00 C ATOM 1133 O GLY A 67 7.614 5.170 -7.064 1.00 0.00 O ATOM 0 H GLY A 67 9.804 4.621 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.524 4.070 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.326 2.597 -8.765 1.00 0.00 H new ATOM 1137 N TYR A 68 6.180 3.854 -8.179 1.00 0.00 N ATOM 1138 CA TYR A 68 5.025 4.365 -7.480 1.00 0.00 C ATOM 1139 C TYR A 68 4.296 3.205 -6.841 1.00 0.00 C ATOM 1140 O TYR A 68 4.091 2.163 -7.464 1.00 0.00 O ATOM 1141 CB TYR A 68 4.099 5.116 -8.440 1.00 0.00 C ATOM 1142 CG TYR A 68 3.764 6.518 -7.986 1.00 0.00 C ATOM 1143 CD1 TYR A 68 4.603 7.585 -8.281 1.00 0.00 C ATOM 1144 CD2 TYR A 68 2.606 6.777 -7.261 1.00 0.00 C ATOM 1145 CE1 TYR A 68 4.300 8.868 -7.869 1.00 0.00 C ATOM 1146 CE2 TYR A 68 2.297 8.057 -6.845 1.00 0.00 C ATOM 1147 CZ TYR A 68 3.145 9.099 -7.152 1.00 0.00 C ATOM 1148 OH TYR A 68 2.840 10.374 -6.738 1.00 0.00 O ATOM 0 H TYR A 68 5.975 3.137 -8.875 1.00 0.00 H new ATOM 0 HA TYR A 68 5.345 5.069 -6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.569 5.164 -9.422 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.175 4.550 -8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.508 7.408 -8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.937 5.964 -7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.964 9.686 -8.107 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.394 8.241 -6.281 1.00 0.00 H new ATOM 0 HH TYR A 68 1.992 10.364 -6.246 1.00 0.00 H new ATOM 1158 N THR A 69 3.935 3.378 -5.589 1.00 0.00 N ATOM 1159 CA THR A 69 3.257 2.336 -4.852 1.00 0.00 C ATOM 1160 C THR A 69 1.801 2.660 -4.582 1.00 0.00 C ATOM 1161 O THR A 69 1.420 3.812 -4.399 1.00 0.00 O ATOM 1162 CB THR A 69 3.955 2.020 -3.529 1.00 0.00 C ATOM 1163 OG1 THR A 69 5.138 1.270 -3.748 1.00 0.00 O ATOM 1164 CG2 THR A 69 3.060 1.223 -2.606 1.00 0.00 C ATOM 0 H THR A 69 4.100 4.234 -5.059 1.00 0.00 H new ATOM 0 HA THR A 69 3.299 1.457 -5.496 1.00 0.00 H new ATOM 0 HB THR A 69 4.196 2.977 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.777 1.449 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.589 1.016 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.157 1.795 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.788 0.283 -3.085 1.00 0.00 H new ATOM 1172 N LYS A 70 1.012 1.604 -4.551 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.410 1.667 -4.276 1.00 0.00 C ATOM 1174 C LYS A 70 -0.667 1.032 -2.912 1.00 0.00 C ATOM 1175 O LYS A 70 -0.069 0.009 -2.591 1.00 0.00 O ATOM 1176 CB LYS A 70 -1.131 0.872 -5.344 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.349 1.567 -5.925 1.00 0.00 C ATOM 1178 CD LYS A 70 -3.277 0.582 -6.618 1.00 0.00 C ATOM 1179 CE LYS A 70 -4.061 1.247 -7.738 1.00 0.00 C ATOM 1180 NZ LYS A 70 -5.450 1.588 -7.319 1.00 0.00 N ATOM 0 H LYS A 70 1.350 0.657 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.762 2.698 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.432 0.654 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.440 -0.084 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.890 2.080 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.029 2.329 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.694 -0.246 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.969 0.159 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.544 2.153 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.095 0.582 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.951 2.039 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.952 0.720 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.418 2.243 -6.511 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.529 1.624 -2.096 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.778 1.041 -0.772 1.00 0.00 C ATOM 1196 C ILE A 71 -3.253 0.971 -0.413 1.00 0.00 C ATOM 1197 O ILE A 71 -4.030 1.892 -0.725 1.00 0.00 O ATOM 1198 CB ILE A 71 -0.994 1.779 0.341 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.418 1.185 0.459 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -1.719 1.727 1.673 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.532 2.199 0.373 1.00 0.00 C ATOM 0 H ILE A 71 -2.052 2.474 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.413 0.016 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.918 2.831 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.498 0.656 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.555 0.446 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.135 2.256 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.696 2.199 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.847 0.688 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.493 1.693 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.483 2.712 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.426 2.926 1.179 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.616 -0.119 0.291 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.000 -0.303 0.740 1.00 0.00 C ATOM 1215 C TYR A 72 -5.120 -0.337 2.270 1.00 0.00 C ATOM 1216 O TYR A 72 -4.581 -1.222 2.968 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.662 -1.524 0.093 1.00 0.00 C ATOM 1218 CG TYR A 72 -5.335 -2.865 0.712 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -5.931 -3.273 1.899 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -4.456 -3.740 0.086 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -5.660 -4.512 2.446 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.177 -4.980 0.630 1.00 0.00 C ATOM 1223 CZ TYR A 72 -4.782 -5.360 1.808 1.00 0.00 C ATOM 1224 OH TYR A 72 -4.509 -6.596 2.348 1.00 0.00 O ATOM 0 H TYR A 72 -2.979 -0.871 0.555 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.549 0.575 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.743 -1.386 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.376 -1.553 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.618 -2.610 2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.983 -3.447 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.134 -4.814 3.368 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.488 -5.648 0.134 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.088 -6.749 3.124 1.00 0.00 H new ATOM 1234 N ALA A 73 -5.826 0.677 2.767 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.075 0.889 4.189 1.00 0.00 C ATOM 1236 C ALA A 73 -7.345 0.193 4.676 1.00 0.00 C ATOM 1237 O ALA A 73 -7.672 0.251 5.860 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.147 2.378 4.477 1.00 0.00 C ATOM 0 H ALA A 73 -6.251 1.391 2.176 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.244 0.443 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.333 2.534 5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.203 2.848 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.957 2.822 3.898 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.088 -0.412 3.753 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.357 -1.063 4.080 1.00 0.00 C ATOM 1246 C ASP A 74 -9.174 -2.382 4.839 1.00 0.00 C ATOM 1247 O ASP A 74 -10.158 -3.026 5.201 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.157 -1.315 2.802 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.452 -2.266 1.857 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -9.525 -3.492 2.086 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -8.827 -1.787 0.886 1.00 0.00 O ATOM 0 H ASP A 74 -7.833 -0.466 2.767 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.898 -0.385 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.133 -1.723 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.333 -0.367 2.294 1.00 0.00 H new