USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 8 GLN : amide:sc= 0 K(o=0.31,f=-0.37) USER MOD Set 1.2: A 12 CYS SG : rot 49:sc= 0.308 USER MOD Single : A 1 VAL N :NH3+ -111:sc= -0.0664 (180deg=-0.242) USER MOD Single : A 5 TYR OH : rot 130:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.775 K(o=0.77,f=-6.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 25 THR OG1 : rot 70:sc= 1.41 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.581) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.805 K(o=-0.8,f=-2.4!) USER MOD Single : A 50 ASN : amide:sc= 1.79 K(o=1.8,f=-4.1!) USER MOD Single : A 55 ASN : amide:sc= 0.224 K(o=0.22,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.499 11.811 5.647 1.00 0.00 N ATOM 2 CA VAL A 1 6.915 10.578 5.063 1.00 0.00 C ATOM 3 C VAL A 1 5.753 10.101 5.892 1.00 0.00 C ATOM 4 O VAL A 1 5.556 10.539 7.027 1.00 0.00 O ATOM 5 CB VAL A 1 7.960 9.455 4.935 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.028 9.845 3.890 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.584 9.075 6.297 1.00 0.00 C ATOM 0 H1 VAL A 1 7.304 12.618 5.020 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.075 11.987 6.580 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.527 11.693 5.750 1.00 0.00 H new ATOM 0 HA VAL A 1 6.566 10.829 4.061 1.00 0.00 H new ATOM 0 HB VAL A 1 7.452 8.557 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.764 9.045 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.550 10.002 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.525 10.763 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.315 8.279 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.077 9.947 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.801 8.731 6.973 1.00 0.00 H new ATOM 19 N ARG A 2 4.967 9.154 5.331 1.00 0.00 N ATOM 20 CA ARG A 2 4.088 8.317 6.110 1.00 0.00 C ATOM 21 C ARG A 2 4.802 6.998 6.144 1.00 0.00 C ATOM 22 O ARG A 2 5.809 6.819 5.462 1.00 0.00 O ATOM 23 CB ARG A 2 2.655 8.109 5.529 1.00 0.00 C ATOM 24 CG ARG A 2 2.567 7.567 4.084 1.00 0.00 C ATOM 25 CD ARG A 2 2.384 8.633 2.986 1.00 0.00 C ATOM 26 NE ARG A 2 0.928 8.974 2.796 1.00 0.00 N ATOM 27 CZ ARG A 2 0.315 10.073 3.331 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.960 10.909 4.193 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.978 10.339 2.977 1.00 0.00 N ATOM 0 H ARG A 2 4.940 8.966 4.329 1.00 0.00 H new ATOM 0 HA ARG A 2 3.907 8.787 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.118 7.423 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.130 9.063 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.475 7.002 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.735 6.866 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.939 9.532 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.800 8.267 2.047 1.00 0.00 H new ATOM 0 HE ARG A 2 0.362 8.342 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.928 10.723 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.475 11.721 4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.466 9.723 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.455 11.153 3.364 1.00 0.00 H new ATOM 43 N ASP A 3 4.267 6.022 6.899 1.00 0.00 N ATOM 44 CA ASP A 3 4.615 4.637 6.755 1.00 0.00 C ATOM 45 C ASP A 3 3.199 4.208 6.591 1.00 0.00 C ATOM 46 O ASP A 3 2.324 4.849 7.183 1.00 0.00 O ATOM 47 CB ASP A 3 5.240 3.945 7.998 1.00 0.00 C ATOM 48 CG ASP A 3 6.379 4.793 8.567 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.357 5.056 7.823 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.281 5.188 9.760 1.00 0.00 O ATOM 0 H ASP A 3 3.575 6.197 7.628 1.00 0.00 H new ATOM 0 HA ASP A 3 5.370 4.416 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.476 3.794 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.615 2.959 7.723 1.00 0.00 H new ATOM 55 N GLY A 4 2.890 3.232 5.723 1.00 0.00 N ATOM 56 CA GLY A 4 1.501 2.948 5.516 1.00 0.00 C ATOM 57 C GLY A 4 1.435 1.606 4.919 1.00 0.00 C ATOM 58 O GLY A 4 2.448 1.068 4.475 1.00 0.00 O ATOM 0 H GLY A 4 3.553 2.668 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.953 2.981 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.047 3.689 4.857 1.00 0.00 H new ATOM 62 N TYR A 5 0.205 1.062 4.820 1.00 0.00 N ATOM 63 CA TYR A 5 -0.054 -0.046 3.948 1.00 0.00 C ATOM 64 C TYR A 5 -0.397 0.668 2.688 1.00 0.00 C ATOM 65 O TYR A 5 -1.249 1.547 2.719 1.00 0.00 O ATOM 66 CB TYR A 5 -1.248 -0.925 4.380 1.00 0.00 C ATOM 67 CG TYR A 5 -0.783 -1.915 5.398 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.212 -3.129 4.986 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.856 -1.624 6.769 1.00 0.00 C ATOM 70 CE1 TYR A 5 0.303 -4.029 5.921 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.337 -2.521 7.711 1.00 0.00 C ATOM 72 CZ TYR A 5 0.254 -3.719 7.286 1.00 0.00 C ATOM 73 OH TYR A 5 0.834 -4.595 8.225 1.00 0.00 O ATOM 0 H TYR A 5 -0.608 1.389 5.342 1.00 0.00 H new ATOM 0 HA TYR A 5 0.784 -0.742 3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.042 -0.304 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.666 -1.442 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.170 -3.370 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.315 -0.704 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.738 -4.961 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.392 -2.290 8.765 1.00 0.00 H new ATOM 0 HH TYR A 5 1.420 -4.089 8.826 1.00 0.00 H new ATOM 83 N ILE A 6 0.286 0.369 1.570 1.00 0.00 N ATOM 84 CA ILE A 6 0.103 1.093 0.342 1.00 0.00 C ATOM 85 C ILE A 6 -1.029 0.403 -0.369 1.00 0.00 C ATOM 86 O ILE A 6 -1.176 -0.831 -0.308 1.00 0.00 O ATOM 87 CB ILE A 6 1.361 1.287 -0.514 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.137 2.266 -1.701 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.938 -0.062 -0.961 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.368 2.476 -2.590 1.00 0.00 C ATOM 0 H ILE A 6 0.974 -0.382 1.512 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.140 2.133 0.561 1.00 0.00 H new ATOM 0 HB ILE A 6 2.109 1.766 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.319 1.891 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.821 3.231 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.829 0.106 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.201 -0.654 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.195 -0.598 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.123 3.172 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.183 2.883 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.674 1.522 -3.019 1.00 0.00 H new ATOM 102 N ALA A 7 -1.863 1.269 -0.986 1.00 0.00 N ATOM 103 CA ALA A 7 -3.081 0.983 -1.667 1.00 0.00 C ATOM 104 C ALA A 7 -2.893 1.353 -3.099 1.00 0.00 C ATOM 105 O ALA A 7 -1.774 1.533 -3.567 1.00 0.00 O ATOM 106 CB ALA A 7 -4.220 1.882 -1.158 1.00 0.00 C ATOM 0 H ALA A 7 -1.654 2.267 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.326 -0.068 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.139 1.644 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.368 1.713 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.962 2.927 -1.327 1.00 0.00 H new ATOM 112 N GLN A 8 -4.022 1.584 -3.805 1.00 0.00 N ATOM 113 CA GLN A 8 -4.014 2.298 -5.056 1.00 0.00 C ATOM 114 C GLN A 8 -4.162 3.710 -4.566 1.00 0.00 C ATOM 115 O GLN A 8 -4.847 3.858 -3.553 1.00 0.00 O ATOM 116 CB GLN A 8 -5.225 1.975 -5.959 1.00 0.00 C ATOM 117 CG GLN A 8 -5.291 0.502 -6.383 1.00 0.00 C ATOM 118 CD GLN A 8 -6.622 0.270 -7.100 1.00 0.00 C ATOM 119 OE1 GLN A 8 -7.195 1.177 -7.721 1.00 0.00 O ATOM 120 NE2 GLN A 8 -7.143 -0.985 -6.992 1.00 0.00 N ATOM 0 H GLN A 8 -4.947 1.274 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.136 2.065 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.142 2.235 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.182 2.601 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.457 0.258 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.210 -0.148 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.639 -1.703 -6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.037 -1.206 -7.432 1.00 0.00 H new ATOM 129 N PRO A 9 -3.565 4.741 -5.155 1.00 0.00 N ATOM 130 CA PRO A 9 -3.203 5.967 -4.451 1.00 0.00 C ATOM 131 C PRO A 9 -4.366 6.904 -4.220 1.00 0.00 C ATOM 132 O PRO A 9 -4.142 8.106 -4.093 1.00 0.00 O ATOM 133 CB PRO A 9 -2.152 6.616 -5.374 1.00 0.00 C ATOM 134 CG PRO A 9 -2.499 6.097 -6.772 1.00 0.00 C ATOM 135 CD PRO A 9 -2.947 4.668 -6.478 1.00 0.00 C ATOM 0 HA PRO A 9 -2.839 5.750 -3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.203 7.704 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.140 6.332 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.289 6.684 -7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.640 6.126 -7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.654 4.312 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.103 3.979 -6.484 1.00 0.00 H new ATOM 143 N GLU A 10 -5.593 6.370 -4.136 1.00 0.00 N ATOM 144 CA GLU A 10 -6.819 7.058 -3.903 1.00 0.00 C ATOM 145 C GLU A 10 -7.186 6.580 -2.532 1.00 0.00 C ATOM 146 O GLU A 10 -6.900 7.231 -1.532 1.00 0.00 O ATOM 147 CB GLU A 10 -7.885 6.729 -4.979 1.00 0.00 C ATOM 148 CG GLU A 10 -7.498 7.117 -6.426 1.00 0.00 C ATOM 149 CD GLU A 10 -6.690 6.042 -7.161 1.00 0.00 C ATOM 150 OE1 GLU A 10 -6.552 4.910 -6.631 1.00 0.00 O ATOM 151 OE2 GLU A 10 -6.219 6.343 -8.291 1.00 0.00 O ATOM 0 H GLU A 10 -5.738 5.366 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.741 8.143 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.091 5.659 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.812 7.240 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.406 7.325 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.919 8.040 -6.402 1.00 0.00 H new ATOM 158 N ASN A 11 -7.795 5.391 -2.450 1.00 0.00 N ATOM 159 CA ASN A 11 -8.001 4.643 -1.256 1.00 0.00 C ATOM 160 C ASN A 11 -8.293 3.381 -1.988 1.00 0.00 C ATOM 161 O ASN A 11 -8.865 3.487 -3.073 1.00 0.00 O ATOM 162 CB ASN A 11 -9.238 5.078 -0.429 1.00 0.00 C ATOM 163 CG ASN A 11 -9.315 4.305 0.891 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.448 3.492 1.226 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.353 4.641 1.715 1.00 0.00 N ATOM 0 H ASN A 11 -8.169 4.920 -3.274 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.207 4.683 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.186 6.148 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.146 4.907 -1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.429 4.216 2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.052 5.317 1.406 1.00 0.00 H new ATOM 172 N CYS A 12 -7.871 2.223 -1.459 1.00 0.00 N ATOM 173 CA CYS A 12 -8.117 0.880 -1.934 1.00 0.00 C ATOM 174 C CYS A 12 -7.174 0.158 -1.027 1.00 0.00 C ATOM 175 O CYS A 12 -6.826 0.697 0.022 1.00 0.00 O ATOM 176 CB CYS A 12 -7.789 0.564 -3.432 1.00 0.00 C ATOM 177 SG CYS A 12 -9.079 0.990 -4.633 1.00 0.00 S ATOM 0 H CYS A 12 -7.300 2.217 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.176 0.624 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.877 1.095 -3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.575 -0.501 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.479 2.209 -4.426 1.00 0.00 H new ATOM 182 N VAL A 13 -6.709 -1.042 -1.420 1.00 0.00 N ATOM 183 CA VAL A 13 -5.543 -1.708 -0.933 1.00 0.00 C ATOM 184 C VAL A 13 -4.956 -2.037 -2.268 1.00 0.00 C ATOM 185 O VAL A 13 -5.658 -1.915 -3.276 1.00 0.00 O ATOM 186 CB VAL A 13 -5.801 -2.993 -0.152 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.374 -2.644 1.235 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.739 -3.948 -0.924 1.00 0.00 C ATOM 0 H VAL A 13 -7.189 -1.588 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.960 -1.122 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.855 -3.519 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.559 -3.561 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.660 -2.026 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.310 -2.098 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.900 -4.852 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.695 -3.455 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.284 -4.211 -1.879 1.00 0.00 H new ATOM 198 N TYR A 14 -3.689 -2.486 -2.330 1.00 0.00 N ATOM 199 CA TYR A 14 -3.200 -3.173 -3.499 1.00 0.00 C ATOM 200 C TYR A 14 -3.533 -4.593 -3.155 1.00 0.00 C ATOM 201 O TYR A 14 -3.809 -4.872 -1.992 1.00 0.00 O ATOM 202 CB TYR A 14 -1.666 -3.071 -3.692 1.00 0.00 C ATOM 203 CG TYR A 14 -1.277 -2.072 -4.746 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.761 -2.175 -6.064 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.366 -1.050 -4.441 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.372 -1.249 -7.041 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.030 -0.126 -5.413 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.483 -0.218 -6.714 1.00 0.00 C ATOM 209 OH TYR A 14 -0.084 0.706 -7.703 1.00 0.00 O ATOM 0 H TYR A 14 -3.004 -2.378 -1.582 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.629 -2.768 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.203 -2.793 -2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.273 -4.051 -3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.438 -2.975 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.035 -0.976 -3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.758 -1.331 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.730 0.657 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 14 0.534 1.358 -7.311 1.00 0.00 H new ATOM 219 N HIS A 15 -3.541 -5.529 -4.125 1.00 0.00 N ATOM 220 CA HIS A 15 -3.969 -6.868 -3.832 1.00 0.00 C ATOM 221 C HIS A 15 -2.702 -7.632 -3.873 1.00 0.00 C ATOM 222 O HIS A 15 -2.161 -7.909 -4.942 1.00 0.00 O ATOM 223 CB HIS A 15 -5.024 -7.441 -4.797 1.00 0.00 C ATOM 224 CG HIS A 15 -6.363 -6.796 -4.547 1.00 0.00 C ATOM 225 ND1 HIS A 15 -6.706 -5.561 -5.030 1.00 0.00 N ATOM 226 CD2 HIS A 15 -7.364 -7.192 -3.725 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.883 -5.223 -4.521 1.00 0.00 C ATOM 228 NE2 HIS A 15 -8.305 -6.196 -3.725 1.00 0.00 N ATOM 0 H HIS A 15 -3.258 -5.366 -5.091 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.491 -6.917 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.716 -7.268 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.101 -8.520 -4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.412 -8.119 -3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.412 -4.303 -4.722 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.181 -6.202 -3.202 1.00 0.00 H new ATOM 237 N CYS A 16 -2.186 -7.912 -2.667 1.00 0.00 N ATOM 238 CA CYS A 16 -0.951 -8.600 -2.488 1.00 0.00 C ATOM 239 C CYS A 16 -1.321 -9.963 -2.002 1.00 0.00 C ATOM 240 O CYS A 16 -2.483 -10.373 -2.019 1.00 0.00 O ATOM 241 CB CYS A 16 -0.003 -7.889 -1.489 1.00 0.00 C ATOM 242 SG CYS A 16 1.749 -8.340 -1.723 1.00 0.00 S ATOM 0 H CYS A 16 -2.641 -7.652 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.394 -8.632 -3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.112 -6.810 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.304 -8.138 -0.471 1.00 0.00 H new ATOM 247 N PHE A 17 -0.287 -10.711 -1.603 1.00 0.00 N ATOM 248 CA PHE A 17 -0.275 -12.121 -1.473 1.00 0.00 C ATOM 249 C PHE A 17 0.571 -12.224 -0.239 1.00 0.00 C ATOM 250 O PHE A 17 1.194 -11.207 0.084 1.00 0.00 O ATOM 251 CB PHE A 17 0.510 -12.752 -2.663 1.00 0.00 C ATOM 252 CG PHE A 17 0.163 -12.094 -3.982 1.00 0.00 C ATOM 253 CD1 PHE A 17 -1.119 -12.240 -4.541 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.089 -11.248 -4.627 1.00 0.00 C ATOM 255 CE1 PHE A 17 -1.470 -11.563 -5.715 1.00 0.00 C ATOM 256 CE2 PHE A 17 0.740 -10.574 -5.805 1.00 0.00 C ATOM 257 CZ PHE A 17 -0.539 -10.733 -6.350 1.00 0.00 C ATOM 0 H PHE A 17 0.609 -10.293 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.252 -12.603 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.581 -12.659 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.288 -13.818 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.841 -12.882 -4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.076 -11.118 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.460 -11.681 -6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.458 -9.932 -6.292 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.807 -10.216 -7.259 1.00 0.00 H new ATOM 267 N PRO A 18 0.716 -13.338 0.467 1.00 0.00 N ATOM 268 CA PRO A 18 1.748 -13.512 1.486 1.00 0.00 C ATOM 269 C PRO A 18 3.124 -13.653 0.843 1.00 0.00 C ATOM 270 O PRO A 18 3.836 -14.618 1.114 1.00 0.00 O ATOM 271 CB PRO A 18 1.316 -14.803 2.207 1.00 0.00 C ATOM 272 CG PRO A 18 0.570 -15.613 1.136 1.00 0.00 C ATOM 273 CD PRO A 18 -0.125 -14.525 0.314 1.00 0.00 C ATOM 0 HA PRO A 18 1.837 -12.665 2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.177 -15.350 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.672 -14.585 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.253 -16.206 0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.146 -16.306 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.210 -14.816 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.136 -14.342 0.677 1.00 0.00 H new ATOM 281 N GLY A 19 3.513 -12.688 -0.005 1.00 0.00 N ATOM 282 CA GLY A 19 4.746 -12.666 -0.719 1.00 0.00 C ATOM 283 C GLY A 19 4.594 -11.368 -1.426 1.00 0.00 C ATOM 284 O GLY A 19 3.521 -11.075 -1.946 1.00 0.00 O ATOM 0 H GLY A 19 2.930 -11.875 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.613 -12.685 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.849 -13.507 -1.404 1.00 0.00 H new ATOM 288 N SER A 20 5.638 -10.526 -1.427 1.00 0.00 N ATOM 289 CA SER A 20 5.575 -9.161 -1.862 1.00 0.00 C ATOM 290 C SER A 20 6.200 -9.033 -3.222 1.00 0.00 C ATOM 291 O SER A 20 6.645 -7.953 -3.599 1.00 0.00 O ATOM 292 CB SER A 20 6.334 -8.288 -0.831 1.00 0.00 C ATOM 293 OG SER A 20 7.366 -9.051 -0.198 1.00 0.00 O ATOM 0 H SER A 20 6.568 -10.804 -1.112 1.00 0.00 H new ATOM 0 HA SER A 20 4.539 -8.830 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.767 -7.420 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.638 -7.912 -0.081 1.00 0.00 H new ATOM 0 HG SER A 20 7.839 -8.488 0.450 1.00 0.00 H new ATOM 299 N SER A 21 6.205 -10.123 -4.014 1.00 0.00 N ATOM 300 CA SER A 21 6.921 -10.284 -5.253 1.00 0.00 C ATOM 301 C SER A 21 6.748 -9.163 -6.251 1.00 0.00 C ATOM 302 O SER A 21 7.722 -8.644 -6.790 1.00 0.00 O ATOM 303 CB SER A 21 6.530 -11.634 -5.889 1.00 0.00 C ATOM 304 OG SER A 21 6.396 -12.611 -4.855 1.00 0.00 O ATOM 0 H SER A 21 5.669 -10.956 -3.772 1.00 0.00 H new ATOM 0 HA SER A 21 7.979 -10.258 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.593 -11.535 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.289 -11.946 -6.607 1.00 0.00 H new ATOM 0 HG SER A 21 6.146 -13.473 -5.249 1.00 0.00 H new ATOM 310 N GLY A 22 5.490 -8.743 -6.506 1.00 0.00 N ATOM 311 CA GLY A 22 5.217 -7.683 -7.457 1.00 0.00 C ATOM 312 C GLY A 22 5.227 -6.358 -6.764 1.00 0.00 C ATOM 313 O GLY A 22 5.484 -5.309 -7.364 1.00 0.00 O ATOM 0 H GLY A 22 4.659 -9.131 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.965 -7.693 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.249 -7.848 -7.930 1.00 0.00 H new ATOM 317 N CYS A 23 4.926 -6.363 -5.449 1.00 0.00 N ATOM 318 CA CYS A 23 4.654 -5.137 -4.742 1.00 0.00 C ATOM 319 C CYS A 23 5.937 -4.526 -4.263 1.00 0.00 C ATOM 320 O CYS A 23 5.968 -3.349 -3.921 1.00 0.00 O ATOM 321 CB CYS A 23 3.655 -5.294 -3.574 1.00 0.00 C ATOM 322 SG CYS A 23 2.364 -4.016 -3.662 1.00 0.00 S ATOM 0 H CYS A 23 4.870 -7.205 -4.877 1.00 0.00 H new ATOM 0 HA CYS A 23 4.168 -4.472 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.198 -6.283 -3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.183 -5.220 -2.624 1.00 0.00 H new ATOM 327 N ASP A 24 7.041 -5.308 -4.275 1.00 0.00 N ATOM 328 CA ASP A 24 8.390 -4.866 -4.012 1.00 0.00 C ATOM 329 C ASP A 24 8.736 -3.797 -5.014 1.00 0.00 C ATOM 330 O ASP A 24 9.149 -2.698 -4.652 1.00 0.00 O ATOM 331 CB ASP A 24 9.385 -6.057 -4.107 1.00 0.00 C ATOM 332 CG ASP A 24 10.766 -5.700 -3.556 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.845 -5.344 -2.349 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.757 -5.794 -4.327 1.00 0.00 O ATOM 0 H ASP A 24 6.991 -6.306 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 24 8.462 -4.463 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.984 -6.908 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.480 -6.367 -5.148 1.00 0.00 H new ATOM 339 N THR A 25 8.487 -4.077 -6.308 1.00 0.00 N ATOM 340 CA THR A 25 8.638 -3.142 -7.389 1.00 0.00 C ATOM 341 C THR A 25 7.711 -1.952 -7.249 1.00 0.00 C ATOM 342 O THR A 25 8.151 -0.815 -7.422 1.00 0.00 O ATOM 343 CB THR A 25 8.428 -3.830 -8.733 1.00 0.00 C ATOM 344 OG1 THR A 25 7.793 -5.104 -8.575 1.00 0.00 O ATOM 345 CG2 THR A 25 9.816 -4.079 -9.357 1.00 0.00 C ATOM 0 H THR A 25 8.166 -4.995 -6.617 1.00 0.00 H new ATOM 0 HA THR A 25 9.659 -2.764 -7.345 1.00 0.00 H new ATOM 0 HB THR A 25 7.798 -3.195 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.864 -4.974 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.698 -4.572 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.329 -3.127 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.404 -4.715 -8.695 1.00 0.00 H new ATOM 353 N LEU A 26 6.415 -2.179 -6.915 1.00 0.00 N ATOM 354 CA LEU A 26 5.443 -1.108 -6.798 1.00 0.00 C ATOM 355 C LEU A 26 5.784 -0.161 -5.682 1.00 0.00 C ATOM 356 O LEU A 26 5.686 1.057 -5.816 1.00 0.00 O ATOM 357 CB LEU A 26 4.010 -1.611 -6.534 1.00 0.00 C ATOM 358 CG LEU A 26 3.407 -2.419 -7.702 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.033 -2.993 -7.309 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.313 -1.577 -8.989 1.00 0.00 C ATOM 0 H LEU A 26 6.036 -3.107 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 26 5.481 -0.605 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.013 -2.232 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.367 -0.755 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 26 4.078 -3.251 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.623 -3.560 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.146 -3.649 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.356 -2.177 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.884 -2.181 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.679 -0.708 -8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.310 -1.245 -9.280 1.00 0.00 H new ATOM 372 N CYS A 27 6.230 -0.710 -4.539 1.00 0.00 N ATOM 373 CA CYS A 27 6.662 0.065 -3.401 1.00 0.00 C ATOM 374 C CYS A 27 7.816 0.952 -3.795 1.00 0.00 C ATOM 375 O CYS A 27 7.811 2.145 -3.490 1.00 0.00 O ATOM 376 CB CYS A 27 7.067 -0.835 -2.200 1.00 0.00 C ATOM 377 SG CYS A 27 7.234 0.049 -0.621 1.00 0.00 S ATOM 0 H CYS A 27 6.295 -1.718 -4.394 1.00 0.00 H new ATOM 0 HA CYS A 27 5.819 0.677 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.322 -1.622 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.014 -1.323 -2.431 1.00 0.00 H new ATOM 382 N LYS A 28 8.803 0.405 -4.543 1.00 0.00 N ATOM 383 CA LYS A 28 9.986 1.132 -4.943 1.00 0.00 C ATOM 384 C LYS A 28 9.637 2.283 -5.840 1.00 0.00 C ATOM 385 O LYS A 28 10.039 3.413 -5.567 1.00 0.00 O ATOM 386 CB LYS A 28 11.027 0.230 -5.646 1.00 0.00 C ATOM 387 CG LYS A 28 11.753 -0.671 -4.636 1.00 0.00 C ATOM 388 CD LYS A 28 12.583 -1.798 -5.271 1.00 0.00 C ATOM 389 CE LYS A 28 13.557 -2.450 -4.276 1.00 0.00 C ATOM 390 NZ LYS A 28 12.852 -2.971 -3.082 1.00 0.00 N ATOM 0 H LYS A 28 8.781 -0.559 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 28 10.434 1.510 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.531 -0.386 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.753 0.850 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.410 -0.053 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.015 -1.113 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.911 -2.559 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.145 -1.398 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.090 -3.264 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.305 -1.720 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.357 -3.804 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.822 -2.235 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.882 -3.240 -3.342 1.00 0.00 H new ATOM 404 N GLU A 29 8.849 2.041 -6.911 1.00 0.00 N ATOM 405 CA GLU A 29 8.539 3.070 -7.882 1.00 0.00 C ATOM 406 C GLU A 29 7.667 4.170 -7.314 1.00 0.00 C ATOM 407 O GLU A 29 7.682 5.288 -7.825 1.00 0.00 O ATOM 408 CB GLU A 29 7.894 2.510 -9.174 1.00 0.00 C ATOM 409 CG GLU A 29 6.532 1.835 -8.955 1.00 0.00 C ATOM 410 CD GLU A 29 6.103 1.067 -10.204 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.803 0.083 -10.564 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.061 1.444 -10.803 1.00 0.00 O ATOM 0 H GLU A 29 8.424 1.135 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 29 9.506 3.499 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.773 3.324 -9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.576 1.789 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.590 1.154 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.783 2.588 -8.710 1.00 0.00 H new ATOM 419 N LYS A 30 6.894 3.889 -6.235 1.00 0.00 N ATOM 420 CA LYS A 30 6.068 4.893 -5.599 1.00 0.00 C ATOM 421 C LYS A 30 6.819 5.572 -4.484 1.00 0.00 C ATOM 422 O LYS A 30 6.343 6.561 -3.930 1.00 0.00 O ATOM 423 CB LYS A 30 4.733 4.332 -5.056 1.00 0.00 C ATOM 424 CG LYS A 30 3.808 3.748 -6.148 1.00 0.00 C ATOM 425 CD LYS A 30 3.493 4.673 -7.340 1.00 0.00 C ATOM 426 CE LYS A 30 2.791 5.984 -6.956 1.00 0.00 C ATOM 427 NZ LYS A 30 2.524 6.812 -8.154 1.00 0.00 N ATOM 0 H LYS A 30 6.840 2.967 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 30 5.822 5.616 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.948 3.555 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.203 5.127 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.266 2.837 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.867 3.459 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.423 4.911 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.865 4.132 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.854 5.763 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.412 6.542 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.049 7.692 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.422 7.040 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.912 6.286 -8.810 1.00 0.00 H new ATOM 441 N GLY A 31 8.039 5.093 -4.171 1.00 0.00 N ATOM 442 CA GLY A 31 8.977 5.816 -3.349 1.00 0.00 C ATOM 443 C GLY A 31 8.960 5.329 -1.939 1.00 0.00 C ATOM 444 O GLY A 31 9.182 6.115 -1.017 1.00 0.00 O ATOM 0 H GLY A 31 8.385 4.189 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.981 5.708 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.737 6.879 -3.370 1.00 0.00 H new ATOM 448 N GLY A 32 8.696 4.020 -1.729 1.00 0.00 N ATOM 449 CA GLY A 32 8.838 3.394 -0.446 1.00 0.00 C ATOM 450 C GLY A 32 10.027 2.508 -0.547 1.00 0.00 C ATOM 451 O GLY A 32 10.265 1.882 -1.580 1.00 0.00 O ATOM 0 H GLY A 32 8.379 3.387 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.973 4.139 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.946 2.821 -0.191 1.00 0.00 H new ATOM 455 N THR A 33 10.841 2.466 0.523 1.00 0.00 N ATOM 456 CA THR A 33 12.111 1.805 0.542 1.00 0.00 C ATOM 457 C THR A 33 11.882 0.360 0.881 1.00 0.00 C ATOM 458 O THR A 33 11.916 -0.519 0.019 1.00 0.00 O ATOM 459 CB THR A 33 12.989 2.487 1.581 1.00 0.00 C ATOM 460 OG1 THR A 33 12.180 2.992 2.652 1.00 0.00 O ATOM 461 CG2 THR A 33 13.701 3.668 0.890 1.00 0.00 C ATOM 0 H THR A 33 10.606 2.910 1.411 1.00 0.00 H new ATOM 0 HA THR A 33 12.611 1.862 -0.425 1.00 0.00 H new ATOM 0 HB THR A 33 13.709 1.777 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.753 3.428 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.340 4.179 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.309 3.295 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.958 4.366 0.505 1.00 0.00 H new ATOM 469 N SER A 34 11.623 0.092 2.176 1.00 0.00 N ATOM 470 CA SER A 34 11.315 -1.228 2.644 1.00 0.00 C ATOM 471 C SER A 34 9.845 -1.387 2.449 1.00 0.00 C ATOM 472 O SER A 34 9.098 -0.404 2.482 1.00 0.00 O ATOM 473 CB SER A 34 11.639 -1.455 4.134 1.00 0.00 C ATOM 474 OG SER A 34 12.988 -1.090 4.397 1.00 0.00 O ATOM 0 H SER A 34 11.627 0.801 2.909 1.00 0.00 H new ATOM 0 HA SER A 34 11.921 -1.948 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.966 -0.865 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.479 -2.501 4.395 1.00 0.00 H new ATOM 0 HG SER A 34 13.187 -1.235 5.346 1.00 0.00 H new ATOM 480 N GLY A 35 9.403 -2.635 2.248 1.00 0.00 N ATOM 481 CA GLY A 35 8.046 -2.916 1.966 1.00 0.00 C ATOM 482 C GLY A 35 8.008 -4.335 2.373 1.00 0.00 C ATOM 483 O GLY A 35 9.053 -4.917 2.681 1.00 0.00 O ATOM 0 H GLY A 35 10.002 -3.460 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.360 -2.295 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.797 -2.774 0.914 1.00 0.00 H new ATOM 487 N HIS A 36 6.793 -4.889 2.399 1.00 0.00 N ATOM 488 CA HIS A 36 6.463 -6.209 2.825 1.00 0.00 C ATOM 489 C HIS A 36 5.068 -6.200 2.293 1.00 0.00 C ATOM 490 O HIS A 36 4.686 -5.239 1.618 1.00 0.00 O ATOM 491 CB HIS A 36 6.416 -6.434 4.363 1.00 0.00 C ATOM 492 CG HIS A 36 7.710 -6.131 5.071 1.00 0.00 C ATOM 493 ND1 HIS A 36 7.885 -5.019 5.851 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.883 -6.808 5.078 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.128 -5.022 6.313 1.00 0.00 C ATOM 496 NE2 HIS A 36 9.757 -6.096 5.858 1.00 0.00 N ATOM 0 H HIS A 36 5.969 -4.370 2.096 1.00 0.00 H new ATOM 0 HA HIS A 36 7.172 -6.971 2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.629 -5.810 4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.142 -7.471 4.559 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.179 -4.309 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.091 -7.735 4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.559 -4.270 6.957 1.00 0.00 H new ATOM 505 N CYS A 37 4.252 -7.205 2.629 1.00 0.00 N ATOM 506 CA CYS A 37 2.842 -7.194 2.407 1.00 0.00 C ATOM 507 C CYS A 37 2.437 -7.784 3.709 1.00 0.00 C ATOM 508 O CYS A 37 3.297 -8.354 4.387 1.00 0.00 O ATOM 509 CB CYS A 37 2.377 -8.072 1.225 1.00 0.00 C ATOM 510 SG CYS A 37 2.731 -7.239 -0.348 1.00 0.00 S ATOM 0 H CYS A 37 4.584 -8.061 3.073 1.00 0.00 H new ATOM 0 HA CYS A 37 2.428 -6.221 2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.884 -9.036 1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.308 -8.271 1.308 1.00 0.00 H new ATOM 515 N GLY A 38 1.166 -7.629 4.118 1.00 0.00 N ATOM 516 CA GLY A 38 0.758 -8.064 5.413 1.00 0.00 C ATOM 517 C GLY A 38 -0.664 -7.650 5.409 1.00 0.00 C ATOM 518 O GLY A 38 -1.133 -7.095 4.411 1.00 0.00 O ATOM 0 H GLY A 38 0.427 -7.206 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.875 -9.140 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.326 -7.583 6.209 1.00 0.00 H new ATOM 522 N PHE A 39 -1.392 -7.920 6.507 1.00 0.00 N ATOM 523 CA PHE A 39 -2.811 -7.756 6.548 1.00 0.00 C ATOM 524 C PHE A 39 -2.983 -7.294 7.951 1.00 0.00 C ATOM 525 O PHE A 39 -2.315 -7.824 8.837 1.00 0.00 O ATOM 526 CB PHE A 39 -3.535 -9.123 6.365 1.00 0.00 C ATOM 527 CG PHE A 39 -5.026 -9.037 6.154 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.591 -8.178 5.193 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.876 -9.907 6.862 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.966 -8.209 4.930 1.00 0.00 C ATOM 531 CE2 PHE A 39 -7.252 -9.937 6.601 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.798 -9.092 5.627 1.00 0.00 C ATOM 0 H PHE A 39 -0.988 -8.258 7.381 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.210 -7.097 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.093 -9.639 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.344 -9.738 7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.958 -7.489 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.462 -10.560 7.616 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.386 -7.548 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.892 -10.612 7.151 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.857 -9.122 5.415 1.00 0.00 H new ATOM 542 N LYS A 40 -3.861 -6.305 8.169 1.00 0.00 N ATOM 543 CA LYS A 40 -4.291 -5.874 9.474 1.00 0.00 C ATOM 544 C LYS A 40 -5.684 -5.452 9.150 1.00 0.00 C ATOM 545 O LYS A 40 -6.094 -4.326 9.418 1.00 0.00 O ATOM 546 CB LYS A 40 -3.540 -4.650 10.055 1.00 0.00 C ATOM 547 CG LYS A 40 -2.131 -4.959 10.579 1.00 0.00 C ATOM 548 CD LYS A 40 -1.493 -3.746 11.272 1.00 0.00 C ATOM 549 CE LYS A 40 -0.069 -4.023 11.776 1.00 0.00 C ATOM 550 NZ LYS A 40 0.560 -2.788 12.302 1.00 0.00 N ATOM 0 H LYS A 40 -4.294 -5.778 7.410 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.140 -6.650 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.467 -3.884 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.132 -4.228 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.180 -5.792 11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.498 -5.277 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.469 -2.908 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.118 -3.445 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.098 -4.782 12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.536 -4.425 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.521 -3.003 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.607 -2.074 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.007 -2.419 13.092 1.00 0.00 H new ATOM 564 N VAL A 41 -6.413 -6.362 8.466 1.00 0.00 N ATOM 565 CA VAL A 41 -7.595 -6.087 7.698 1.00 0.00 C ATOM 566 C VAL A 41 -7.193 -5.112 6.606 1.00 0.00 C ATOM 567 O VAL A 41 -6.097 -5.211 6.049 1.00 0.00 O ATOM 568 CB VAL A 41 -8.825 -5.752 8.537 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.132 -6.023 7.753 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.822 -6.616 9.822 1.00 0.00 C ATOM 0 H VAL A 41 -6.160 -7.350 8.449 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.973 -6.985 7.209 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.784 -4.692 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.990 -5.774 8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.150 -5.410 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.178 -7.076 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.700 -6.378 10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.843 -7.672 9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.921 -6.408 10.398 1.00 0.00 H new ATOM 580 N GLY A 42 -8.074 -4.159 6.286 1.00 0.00 N ATOM 581 CA GLY A 42 -7.882 -3.205 5.237 1.00 0.00 C ATOM 582 C GLY A 42 -9.051 -3.443 4.355 1.00 0.00 C ATOM 583 O GLY A 42 -10.086 -2.799 4.497 1.00 0.00 O ATOM 0 H GLY A 42 -8.961 -4.043 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.864 -2.184 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.940 -3.366 4.712 1.00 0.00 H new ATOM 587 N HIS A 43 -8.912 -4.409 3.430 1.00 0.00 N ATOM 588 CA HIS A 43 -9.914 -4.699 2.439 1.00 0.00 C ATOM 589 C HIS A 43 -9.604 -6.091 1.980 1.00 0.00 C ATOM 590 O HIS A 43 -10.478 -6.950 1.904 1.00 0.00 O ATOM 591 CB HIS A 43 -9.838 -3.769 1.200 1.00 0.00 C ATOM 592 CG HIS A 43 -10.310 -2.354 1.426 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.605 -1.275 0.965 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.448 -1.873 1.981 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.279 -0.175 1.249 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.409 -0.508 1.859 1.00 0.00 N ATOM 0 H HIS A 43 -8.087 -5.005 3.365 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.905 -4.566 2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.806 -3.739 0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.432 -4.209 0.399 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.237 -2.455 2.434 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.962 0.832 1.022 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.127 0.141 2.182 1.00 0.00 H new ATOM 605 N GLY A 44 -8.320 -6.351 1.669 1.00 0.00 N ATOM 606 CA GLY A 44 -7.840 -7.606 1.186 1.00 0.00 C ATOM 607 C GLY A 44 -6.409 -7.401 1.531 1.00 0.00 C ATOM 608 O GLY A 44 -6.096 -6.368 2.130 1.00 0.00 O ATOM 0 H GLY A 44 -7.583 -5.651 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.286 -8.461 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.008 -7.748 0.118 1.00 0.00 H new ATOM 612 N LEU A 45 -5.519 -8.353 1.186 1.00 0.00 N ATOM 613 CA LEU A 45 -4.152 -8.360 1.661 1.00 0.00 C ATOM 614 C LEU A 45 -3.387 -7.271 0.949 1.00 0.00 C ATOM 615 O LEU A 45 -3.334 -7.269 -0.279 1.00 0.00 O ATOM 616 CB LEU A 45 -3.510 -9.755 1.458 1.00 0.00 C ATOM 617 CG LEU A 45 -2.354 -10.105 2.425 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.252 -11.626 2.640 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.003 -9.532 1.976 1.00 0.00 C ATOM 0 H LEU A 45 -5.744 -9.133 0.568 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.125 -8.160 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.288 -10.512 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.137 -9.818 0.436 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.598 -9.630 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.431 -11.843 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.185 -11.997 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.067 -12.117 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.232 -9.811 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.746 -9.932 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.069 -8.446 1.919 1.00 0.00 H new ATOM 631 N ALA A 46 -2.820 -6.304 1.708 1.00 0.00 N ATOM 632 CA ALA A 46 -2.377 -5.033 1.182 1.00 0.00 C ATOM 633 C ALA A 46 -0.888 -5.065 1.112 1.00 0.00 C ATOM 634 O ALA A 46 -0.292 -6.063 1.516 1.00 0.00 O ATOM 635 CB ALA A 46 -2.783 -3.861 2.093 1.00 0.00 C ATOM 0 H ALA A 46 -2.665 -6.405 2.711 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.837 -4.883 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.430 -2.925 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.869 -3.832 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.338 -3.995 3.079 1.00 0.00 H new ATOM 641 N CYS A 47 -0.230 -3.977 0.624 1.00 0.00 N ATOM 642 CA CYS A 47 1.218 -4.013 0.563 1.00 0.00 C ATOM 643 C CYS A 47 1.666 -3.060 1.612 1.00 0.00 C ATOM 644 O CYS A 47 0.888 -2.187 1.967 1.00 0.00 O ATOM 645 CB CYS A 47 1.800 -3.578 -0.789 1.00 0.00 C ATOM 646 SG CYS A 47 1.128 -4.527 -2.164 1.00 0.00 S ATOM 0 H CYS A 47 -0.669 -3.119 0.289 1.00 0.00 H new ATOM 0 HA CYS A 47 1.561 -5.037 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.593 -2.519 -0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.884 -3.692 -0.768 1.00 0.00 H new ATOM 651 N TRP A 48 2.903 -3.183 2.139 1.00 0.00 N ATOM 652 CA TRP A 48 3.417 -2.291 3.157 1.00 0.00 C ATOM 653 C TRP A 48 4.458 -1.505 2.444 1.00 0.00 C ATOM 654 O TRP A 48 5.099 -2.042 1.540 1.00 0.00 O ATOM 655 CB TRP A 48 4.085 -3.041 4.353 1.00 0.00 C ATOM 656 CG TRP A 48 4.827 -2.204 5.395 1.00 0.00 C ATOM 657 CD1 TRP A 48 6.176 -2.045 5.573 1.00 0.00 C ATOM 658 CD2 TRP A 48 4.192 -1.377 6.385 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.423 -1.193 6.626 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.217 -0.746 7.119 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.855 -1.138 6.671 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.917 0.152 8.140 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.549 -0.239 7.702 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.566 0.405 8.420 1.00 0.00 C ATOM 0 H TRP A 48 3.561 -3.910 1.859 1.00 0.00 H new ATOM 0 HA TRP A 48 2.611 -1.699 3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.309 -3.607 4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.788 -3.766 3.943 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.938 -2.520 4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.344 -0.936 6.981 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.072 -1.631 6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.701 0.639 8.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.516 -0.040 7.946 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.306 1.106 9.200 1.00 0.00 H new ATOM 675 N CYS A 49 4.667 -0.236 2.855 1.00 0.00 N ATOM 676 CA CYS A 49 5.797 0.544 2.448 1.00 0.00 C ATOM 677 C CYS A 49 6.137 1.267 3.710 1.00 0.00 C ATOM 678 O CYS A 49 5.244 1.634 4.474 1.00 0.00 O ATOM 679 CB CYS A 49 5.507 1.571 1.335 1.00 0.00 C ATOM 680 SG CYS A 49 5.378 0.808 -0.305 1.00 0.00 S ATOM 0 H CYS A 49 4.034 0.257 3.485 1.00 0.00 H new ATOM 0 HA CYS A 49 6.578 -0.087 2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.578 2.094 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.299 2.320 1.322 1.00 0.00 H new ATOM 685 N ASN A 50 7.451 1.436 3.978 1.00 0.00 N ATOM 686 CA ASN A 50 7.937 1.858 5.276 1.00 0.00 C ATOM 687 C ASN A 50 8.445 3.271 5.191 1.00 0.00 C ATOM 688 O ASN A 50 9.190 3.736 6.050 1.00 0.00 O ATOM 689 CB ASN A 50 9.088 0.938 5.757 1.00 0.00 C ATOM 690 CG ASN A 50 9.076 0.776 7.281 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.763 -0.322 7.758 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.401 1.860 8.035 1.00 0.00 N ATOM 0 H ASN A 50 8.189 1.280 3.291 1.00 0.00 H new ATOM 0 HA ASN A 50 7.113 1.797 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.995 -0.040 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.045 1.355 5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.395 1.794 9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.651 2.739 7.583 1.00 0.00 H new ATOM 699 N ALA A 51 8.058 3.982 4.130 1.00 0.00 N ATOM 700 CA ALA A 51 8.287 5.366 3.922 1.00 0.00 C ATOM 701 C ALA A 51 7.406 5.429 2.733 1.00 0.00 C ATOM 702 O ALA A 51 7.345 4.434 2.012 1.00 0.00 O ATOM 703 CB ALA A 51 9.717 5.748 3.495 1.00 0.00 C ATOM 0 H ALA A 51 7.545 3.555 3.358 1.00 0.00 H new ATOM 0 HA ALA A 51 8.127 6.004 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.781 6.828 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.423 5.433 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.960 5.253 2.555 1.00 0.00 H new ATOM 709 N LEU A 52 6.688 6.531 2.528 1.00 0.00 N ATOM 710 CA LEU A 52 6.214 6.940 1.242 1.00 0.00 C ATOM 711 C LEU A 52 6.141 8.399 1.522 1.00 0.00 C ATOM 712 O LEU A 52 5.855 8.734 2.676 1.00 0.00 O ATOM 713 CB LEU A 52 4.792 6.467 0.854 1.00 0.00 C ATOM 714 CG LEU A 52 4.731 5.045 0.267 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.300 4.500 0.283 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.359 4.945 -1.135 1.00 0.00 C ATOM 0 H LEU A 52 6.423 7.167 3.280 1.00 0.00 H new ATOM 0 HA LEU A 52 6.833 6.561 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.155 6.510 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.376 7.165 0.127 1.00 0.00 H new ATOM 0 HG LEU A 52 5.340 4.416 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.289 3.494 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.934 4.468 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.657 5.149 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.285 3.919 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.829 5.608 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.408 5.237 -1.086 1.00 0.00 H new ATOM 728 N PRO A 53 6.390 9.299 0.588 1.00 0.00 N ATOM 729 CA PRO A 53 6.189 10.717 0.798 1.00 0.00 C ATOM 730 C PRO A 53 4.708 11.011 0.822 1.00 0.00 C ATOM 731 O PRO A 53 3.899 10.140 0.510 1.00 0.00 O ATOM 732 CB PRO A 53 6.894 11.373 -0.398 1.00 0.00 C ATOM 733 CG PRO A 53 6.853 10.322 -1.517 1.00 0.00 C ATOM 734 CD PRO A 53 6.864 8.989 -0.764 1.00 0.00 C ATOM 0 HA PRO A 53 6.587 11.089 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.387 12.289 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.920 11.644 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.959 10.427 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.711 10.413 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.216 8.259 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.866 8.560 -0.740 1.00 0.00 H new ATOM 742 N ASP A 54 4.339 12.241 1.207 1.00 0.00 N ATOM 743 CA ASP A 54 2.986 12.624 1.543 1.00 0.00 C ATOM 744 C ASP A 54 2.025 12.576 0.382 1.00 0.00 C ATOM 745 O ASP A 54 0.812 12.529 0.572 1.00 0.00 O ATOM 746 CB ASP A 54 2.931 14.079 2.063 1.00 0.00 C ATOM 747 CG ASP A 54 3.770 14.244 3.334 1.00 0.00 C ATOM 748 OD1 ASP A 54 5.027 14.214 3.230 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.162 14.403 4.426 1.00 0.00 O ATOM 0 H ASP A 54 5.004 13.010 1.291 1.00 0.00 H new ATOM 0 HA ASP A 54 2.688 11.895 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.296 14.758 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.897 14.356 2.268 1.00 0.00 H new ATOM 754 N ASN A 55 2.549 12.599 -0.858 1.00 0.00 N ATOM 755 CA ASN A 55 1.766 12.707 -2.069 1.00 0.00 C ATOM 756 C ASN A 55 1.249 11.367 -2.505 1.00 0.00 C ATOM 757 O ASN A 55 0.556 11.273 -3.515 1.00 0.00 O ATOM 758 CB ASN A 55 2.583 13.294 -3.256 1.00 0.00 C ATOM 759 CG ASN A 55 3.879 12.497 -3.477 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.813 12.660 -2.683 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.913 11.613 -4.513 1.00 0.00 N ATOM 0 H ASN A 55 3.552 12.541 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 55 0.944 13.379 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.980 13.274 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.823 14.338 -3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.742 11.040 -4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.109 11.524 -5.134 1.00 0.00 H new ATOM 768 N VAL A 56 1.601 10.289 -1.785 1.00 0.00 N ATOM 769 CA VAL A 56 1.195 8.964 -2.155 1.00 0.00 C ATOM 770 C VAL A 56 0.038 8.684 -1.257 1.00 0.00 C ATOM 771 O VAL A 56 0.155 8.816 -0.041 1.00 0.00 O ATOM 772 CB VAL A 56 2.281 7.921 -1.951 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.899 6.631 -2.711 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.617 8.522 -2.435 1.00 0.00 C ATOM 0 H VAL A 56 2.171 10.332 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 56 0.958 8.911 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 56 2.388 7.651 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.676 5.880 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.952 6.251 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.800 6.851 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.415 7.792 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.538 8.781 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.843 9.418 -1.857 1.00 0.00 H new ATOM 784 N GLY A 57 -1.119 8.294 -1.823 1.00 0.00 N ATOM 785 CA GLY A 57 -2.273 7.975 -1.026 1.00 0.00 C ATOM 786 C GLY A 57 -2.197 6.510 -0.794 1.00 0.00 C ATOM 787 O GLY A 57 -1.501 5.792 -1.512 1.00 0.00 O ATOM 0 H GLY A 57 -1.259 8.198 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.264 8.523 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.194 8.244 -1.543 1.00 0.00 H new ATOM 791 N ILE A 58 -2.881 6.033 0.257 1.00 0.00 N ATOM 792 CA ILE A 58 -2.677 4.713 0.764 1.00 0.00 C ATOM 793 C ILE A 58 -4.033 4.252 1.223 1.00 0.00 C ATOM 794 O ILE A 58 -5.049 4.762 0.747 1.00 0.00 O ATOM 795 CB ILE A 58 -1.643 4.691 1.885 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.967 5.652 3.049 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.236 4.970 1.302 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.129 5.316 4.281 1.00 0.00 C ATOM 0 H ILE A 58 -3.586 6.569 0.763 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.271 4.045 0.005 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.669 3.693 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.774 6.680 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.027 5.587 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.501 4.954 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.012 4.204 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.228 5.949 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.375 6.007 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.343 4.296 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.071 5.406 4.037 1.00 0.00 H new ATOM 810 N ILE A 59 -4.100 3.264 2.162 1.00 0.00 N ATOM 811 CA ILE A 59 -5.366 2.827 2.713 1.00 0.00 C ATOM 812 C ILE A 59 -5.810 3.950 3.601 1.00 0.00 C ATOM 813 O ILE A 59 -5.051 4.423 4.444 1.00 0.00 O ATOM 814 CB ILE A 59 -5.409 1.552 3.573 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.260 0.545 3.357 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.801 0.900 3.407 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.039 0.040 1.936 1.00 0.00 C ATOM 0 H ILE A 59 -3.286 2.775 2.534 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.982 2.578 1.849 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.246 1.866 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.335 1.009 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.441 -0.317 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.852 -0.007 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.571 1.598 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.962 0.649 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.203 -0.660 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.939 -0.464 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.816 0.882 1.281 1.00 0.00 H new ATOM 829 N VAL A 60 -7.043 4.419 3.409 1.00 0.00 N ATOM 830 CA VAL A 60 -7.623 5.440 4.220 1.00 0.00 C ATOM 831 C VAL A 60 -8.681 4.667 4.954 1.00 0.00 C ATOM 832 O VAL A 60 -9.652 4.192 4.354 1.00 0.00 O ATOM 833 CB VAL A 60 -8.104 6.600 3.358 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.252 7.389 4.006 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.870 7.466 3.011 1.00 0.00 C ATOM 0 H VAL A 60 -7.660 4.082 2.670 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.958 5.947 4.919 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.546 6.223 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.552 8.203 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.100 6.725 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.919 7.799 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.179 8.309 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.416 7.838 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.144 6.863 2.466 1.00 0.00 H new