USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 MET CE :methyl 180:sc= -0.125 (180deg=-0.125) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.054) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0.794 (180deg=0.477) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.54) USER MOD Single : A 36 ASN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= -0.142 (180deg=-0.457) USER MOD Single : A 61 ASN : amide:sc= 0.923 K(o=0.92,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.819 -0.840 6.111 1.00 0.00 N ATOM 38 CA MET A 2 -6.103 -0.440 4.905 1.00 0.00 C ATOM 39 C MET A 2 -4.591 -0.485 5.096 1.00 0.00 C ATOM 40 O MET A 2 -3.901 -1.135 4.316 1.00 0.00 O ATOM 41 CB MET A 2 -6.581 0.950 4.479 1.00 0.00 C ATOM 42 CG MET A 2 -7.663 0.865 3.406 1.00 0.00 C ATOM 43 SD MET A 2 -8.961 2.128 3.519 1.00 0.00 S ATOM 44 CE MET A 2 -8.005 3.619 3.173 1.00 0.00 C ATOM 0 HA MET A 2 -6.325 -1.153 4.111 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.969 1.484 5.346 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.737 1.526 4.101 1.00 0.00 H new ATOM 0 HG2 MET A 2 -7.189 0.940 2.427 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.129 -0.119 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.662 4.488 3.205 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.220 3.730 3.921 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.555 3.541 2.183 1.00 0.00 H new ATOM 54 N GLY A 3 -4.068 0.187 6.118 1.00 0.00 N ATOM 55 CA GLY A 3 -2.643 0.148 6.415 1.00 0.00 C ATOM 56 C GLY A 3 -2.178 -1.281 6.658 1.00 0.00 C ATOM 57 O GLY A 3 -1.212 -1.737 6.045 1.00 0.00 O ATOM 0 H GLY A 3 -4.614 0.767 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.083 0.581 5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.434 0.757 7.294 1.00 0.00 H new ATOM 61 N GLU A 4 -2.915 -2.016 7.489 1.00 0.00 N ATOM 62 CA GLU A 4 -2.646 -3.425 7.743 1.00 0.00 C ATOM 63 C GLU A 4 -2.709 -4.248 6.453 1.00 0.00 C ATOM 64 O GLU A 4 -1.908 -5.159 6.273 1.00 0.00 O ATOM 65 CB GLU A 4 -3.655 -3.981 8.750 1.00 0.00 C ATOM 66 CG GLU A 4 -3.491 -3.375 10.150 1.00 0.00 C ATOM 67 CD GLU A 4 -4.492 -3.955 11.147 1.00 0.00 C ATOM 68 OE1 GLU A 4 -4.949 -5.106 10.964 1.00 0.00 O ATOM 69 OE2 GLU A 4 -4.791 -3.273 12.158 1.00 0.00 O ATOM 0 H GLU A 4 -3.715 -1.649 8.004 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.638 -3.501 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.665 -3.786 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.542 -5.063 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.477 -3.557 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.620 -2.294 10.094 1.00 0.00 H new ATOM 76 N ARG A 5 -3.634 -3.937 5.541 1.00 0.00 N ATOM 77 CA ARG A 5 -3.796 -4.621 4.261 1.00 0.00 C ATOM 78 C ARG A 5 -2.519 -4.445 3.467 1.00 0.00 C ATOM 79 O ARG A 5 -1.967 -5.418 2.959 1.00 0.00 O ATOM 80 CB ARG A 5 -4.984 -4.029 3.477 1.00 0.00 C ATOM 81 CG ARG A 5 -6.204 -4.937 3.551 1.00 0.00 C ATOM 82 CD ARG A 5 -7.347 -4.434 2.667 1.00 0.00 C ATOM 83 NE ARG A 5 -8.058 -3.243 3.181 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.915 -3.226 4.209 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.947 -4.234 5.065 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.755 -2.222 4.401 1.00 0.00 N ATOM 0 H ARG A 5 -4.307 -3.183 5.679 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.997 -5.679 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.234 -3.047 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.699 -3.884 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.925 -5.945 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.546 -5.001 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.947 -4.202 1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.068 -5.241 2.537 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.879 -2.356 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.317 -5.027 4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.601 -4.218 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.761 -1.432 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.396 -2.238 5.194 1.00 0.00 H new ATOM 100 N ILE A 6 -2.056 -3.204 3.350 1.00 0.00 N ATOM 101 CA ILE A 6 -0.864 -2.860 2.600 1.00 0.00 C ATOM 102 C ILE A 6 0.313 -3.623 3.206 1.00 0.00 C ATOM 103 O ILE A 6 1.007 -4.318 2.462 1.00 0.00 O ATOM 104 CB ILE A 6 -0.706 -1.322 2.561 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.908 -0.685 1.816 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.608 -0.898 1.879 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.233 0.742 2.266 1.00 0.00 C ATOM 0 H ILE A 6 -2.510 -2.400 3.783 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.923 -3.163 1.555 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.679 -0.968 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.698 -0.679 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.788 -1.311 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.680 0.190 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.453 -1.314 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.622 -1.269 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.085 1.117 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.476 0.742 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.370 1.384 2.092 1.00 0.00 H new ATOM 119 N ARG A 7 0.496 -3.584 4.532 1.00 0.00 N ATOM 120 CA ARG A 7 1.587 -4.295 5.196 1.00 0.00 C ATOM 121 C ARG A 7 1.512 -5.793 4.952 1.00 0.00 C ATOM 122 O ARG A 7 2.514 -6.404 4.580 1.00 0.00 O ATOM 123 CB ARG A 7 1.518 -3.985 6.704 1.00 0.00 C ATOM 124 CG ARG A 7 2.768 -4.380 7.500 1.00 0.00 C ATOM 125 CD ARG A 7 2.876 -5.883 7.807 1.00 0.00 C ATOM 126 NE ARG A 7 3.909 -6.166 8.810 1.00 0.00 N ATOM 127 CZ ARG A 7 5.234 -6.078 8.689 1.00 0.00 C ATOM 128 NH1 ARG A 7 5.787 -5.769 7.523 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.989 -6.313 9.753 1.00 0.00 N ATOM 0 H ARG A 7 -0.106 -3.061 5.168 1.00 0.00 H new ATOM 0 HA ARG A 7 2.538 -3.957 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.345 -2.917 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.657 -4.501 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.652 -4.071 6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.775 -3.828 8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.914 -6.250 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.104 -6.425 6.889 1.00 0.00 H new ATOM 0 HE ARG A 7 3.568 -6.471 9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.197 -5.596 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.802 -5.704 7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.554 -6.556 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.005 -6.251 9.681 1.00 0.00 H new ATOM 143 N ALA A 8 0.330 -6.378 5.113 1.00 0.00 N ATOM 144 CA ALA A 8 0.146 -7.815 5.056 1.00 0.00 C ATOM 145 C ALA A 8 0.375 -8.308 3.636 1.00 0.00 C ATOM 146 O ALA A 8 1.061 -9.310 3.432 1.00 0.00 O ATOM 147 CB ALA A 8 -1.253 -8.180 5.550 1.00 0.00 C ATOM 0 H ALA A 8 -0.531 -5.860 5.288 1.00 0.00 H new ATOM 0 HA ALA A 8 0.872 -8.302 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.384 -9.261 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.375 -7.843 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.999 -7.697 4.919 1.00 0.00 H new ATOM 153 N ARG A 9 -0.145 -7.591 2.637 1.00 0.00 N ATOM 154 CA ARG A 9 0.080 -7.933 1.244 1.00 0.00 C ATOM 155 C ARG A 9 1.551 -7.704 0.895 1.00 0.00 C ATOM 156 O ARG A 9 2.115 -8.505 0.152 1.00 0.00 O ATOM 157 CB ARG A 9 -0.871 -7.110 0.366 1.00 0.00 C ATOM 158 CG ARG A 9 -1.282 -7.757 -0.962 1.00 0.00 C ATOM 159 CD ARG A 9 -0.102 -8.262 -1.789 1.00 0.00 C ATOM 160 NE ARG A 9 -0.503 -8.541 -3.165 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.131 -9.626 -3.857 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.890 -10.373 -3.441 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.782 -9.981 -4.951 1.00 0.00 N ATOM 0 H ARG A 9 -0.728 -6.766 2.776 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.134 -8.986 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.773 -6.899 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.398 -6.152 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.954 -8.590 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.843 -7.032 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.695 -7.518 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.303 -9.166 -1.335 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.107 -7.864 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.394 -10.120 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.168 -11.198 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.575 -9.427 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.491 -10.809 -5.471 1.00 0.00 H new ATOM 177 N ARG A 10 2.214 -6.663 1.417 1.00 0.00 N ATOM 178 CA ARG A 10 3.649 -6.503 1.218 1.00 0.00 C ATOM 179 C ARG A 10 4.399 -7.742 1.688 1.00 0.00 C ATOM 180 O ARG A 10 5.267 -8.215 0.964 1.00 0.00 O ATOM 181 CB ARG A 10 4.205 -5.273 1.951 1.00 0.00 C ATOM 182 CG ARG A 10 5.354 -4.681 1.121 1.00 0.00 C ATOM 183 CD ARG A 10 5.881 -3.348 1.655 1.00 0.00 C ATOM 184 NE ARG A 10 5.627 -3.205 3.076 1.00 0.00 N ATOM 185 CZ ARG A 10 6.209 -3.809 4.107 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.291 -4.567 3.977 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.681 -3.614 5.294 1.00 0.00 N ATOM 0 H ARG A 10 1.778 -5.928 1.975 1.00 0.00 H new ATOM 0 HA ARG A 10 3.800 -6.361 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.420 -4.531 2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.561 -5.553 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.174 -5.398 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.014 -4.541 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.952 -3.278 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.409 -2.527 1.116 1.00 0.00 H new ATOM 0 HE ARG A 10 4.892 -2.542 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.709 -4.705 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.704 -5.011 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.858 -3.019 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.094 -4.057 6.115 1.00 0.00 H new ATOM 201 N ILE A 11 4.071 -8.269 2.868 1.00 0.00 N ATOM 202 CA ILE A 11 4.689 -9.472 3.416 1.00 0.00 C ATOM 203 C ILE A 11 4.302 -10.703 2.594 1.00 0.00 C ATOM 204 O ILE A 11 5.157 -11.560 2.367 1.00 0.00 O ATOM 205 CB ILE A 11 4.312 -9.593 4.912 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.041 -8.528 5.765 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.542 -10.989 5.516 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.577 -8.581 5.708 1.00 0.00 C ATOM 0 H ILE A 11 3.359 -7.865 3.476 1.00 0.00 H new ATOM 0 HA ILE A 11 5.775 -9.403 3.352 1.00 0.00 H new ATOM 0 HB ILE A 11 3.237 -9.418 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.715 -7.540 5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.728 -8.641 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.252 -10.983 6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.941 -11.722 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.596 -11.252 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.992 -7.795 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.921 -9.552 6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.908 -8.434 4.680 1.00 0.00 H new ATOM 220 N GLN A 12 3.078 -10.780 2.070 1.00 0.00 N ATOM 221 CA GLN A 12 2.687 -11.797 1.094 1.00 0.00 C ATOM 222 C GLN A 12 3.557 -11.768 -0.156 1.00 0.00 C ATOM 223 O GLN A 12 3.857 -12.807 -0.742 1.00 0.00 O ATOM 224 CB GLN A 12 1.219 -11.600 0.687 1.00 0.00 C ATOM 225 CG GLN A 12 0.542 -12.868 0.143 1.00 0.00 C ATOM 226 CD GLN A 12 -0.204 -12.585 -1.162 1.00 0.00 C ATOM 227 OE1 GLN A 12 0.167 -13.074 -2.228 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.225 -11.747 -1.124 1.00 0.00 N ATOM 0 H GLN A 12 2.326 -10.135 2.312 1.00 0.00 H new ATOM 0 HA GLN A 12 2.822 -12.766 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.658 -11.244 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.165 -10.819 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.293 -13.640 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.155 -13.258 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.524 -11.348 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.714 -11.500 -1.984 1.00 0.00 H new ATOM 237 N LEU A 13 3.959 -10.571 -0.566 1.00 0.00 N ATOM 238 CA LEU A 13 4.846 -10.326 -1.689 1.00 0.00 C ATOM 239 C LEU A 13 6.321 -10.355 -1.245 1.00 0.00 C ATOM 240 O LEU A 13 7.213 -10.281 -2.083 1.00 0.00 O ATOM 241 CB LEU A 13 4.397 -9.010 -2.340 1.00 0.00 C ATOM 242 CG LEU A 13 4.903 -8.769 -3.773 1.00 0.00 C ATOM 243 CD1 LEU A 13 4.560 -9.905 -4.741 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.229 -7.490 -4.290 1.00 0.00 C ATOM 0 H LEU A 13 3.662 -9.712 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 13 4.782 -11.114 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.307 -8.984 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.730 -8.183 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 13 5.990 -8.697 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.947 -9.668 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.011 -10.833 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.478 -10.024 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.565 -7.287 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.147 -7.621 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.496 -6.652 -3.646 1.00 0.00 H new ATOM 256 N GLY A 14 6.577 -10.507 0.058 1.00 0.00 N ATOM 257 CA GLY A 14 7.861 -10.748 0.704 1.00 0.00 C ATOM 258 C GLY A 14 8.859 -9.604 0.601 1.00 0.00 C ATOM 259 O GLY A 14 10.051 -9.829 0.835 1.00 0.00 O ATOM 0 H GLY A 14 5.822 -10.460 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.685 -10.963 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.308 -11.641 0.267 1.00 0.00 H new ATOM 263 N LEU A 15 8.412 -8.390 0.275 1.00 0.00 N ATOM 264 CA LEU A 15 9.270 -7.260 -0.050 1.00 0.00 C ATOM 265 C LEU A 15 9.262 -6.112 0.959 1.00 0.00 C ATOM 266 O LEU A 15 8.343 -5.986 1.770 1.00 0.00 O ATOM 267 CB LEU A 15 9.047 -6.918 -1.537 1.00 0.00 C ATOM 268 CG LEU A 15 8.155 -5.699 -1.796 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.376 -5.102 -3.188 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.695 -6.144 -1.738 1.00 0.00 C ATOM 0 H LEU A 15 7.418 -8.165 0.230 1.00 0.00 H new ATOM 0 HA LEU A 15 10.318 -7.539 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.017 -6.745 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.605 -7.784 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 15 8.401 -4.951 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.721 -4.241 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.415 -4.787 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.150 -5.852 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.046 -5.287 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.516 -6.904 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.480 -6.559 -0.753 1.00 0.00 H new ATOM 282 N ASN A 16 10.269 -5.240 0.877 1.00 0.00 N ATOM 283 CA ASN A 16 10.445 -4.186 1.877 1.00 0.00 C ATOM 284 C ASN A 16 9.570 -2.989 1.530 1.00 0.00 C ATOM 285 O ASN A 16 9.154 -2.813 0.383 1.00 0.00 O ATOM 286 CB ASN A 16 11.887 -3.667 2.001 1.00 0.00 C ATOM 287 CG ASN A 16 12.898 -4.675 2.514 1.00 0.00 C ATOM 288 OD1 ASN A 16 13.170 -4.713 3.709 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.479 -5.485 1.651 1.00 0.00 N ATOM 0 H ASN A 16 10.969 -5.242 0.135 1.00 0.00 H new ATOM 0 HA ASN A 16 10.168 -4.647 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.214 -3.315 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.889 -2.804 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.171 -6.162 1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.236 -5.435 0.662 1.00 0.00 H new ATOM 296 N GLN A 17 9.365 -2.103 2.503 1.00 0.00 N ATOM 297 CA GLN A 17 8.686 -0.828 2.344 1.00 0.00 C ATOM 298 C GLN A 17 9.401 0.028 1.302 1.00 0.00 C ATOM 299 O GLN A 17 8.740 0.620 0.455 1.00 0.00 O ATOM 300 CB GLN A 17 8.592 -0.157 3.729 1.00 0.00 C ATOM 301 CG GLN A 17 7.628 -0.995 4.591 1.00 0.00 C ATOM 302 CD GLN A 17 7.475 -0.543 6.027 1.00 0.00 C ATOM 303 OE1 GLN A 17 7.702 -1.301 6.971 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.100 0.699 6.192 1.00 0.00 N ATOM 0 H GLN A 17 9.681 -2.264 3.459 1.00 0.00 H new ATOM 0 HA GLN A 17 7.672 -0.966 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.575 -0.105 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.229 0.866 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.645 -0.986 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.973 -2.029 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.923 1.290 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.985 1.076 7.133 1.00 0.00 H new ATOM 313 N ALA A 18 10.737 0.042 1.319 1.00 0.00 N ATOM 314 CA ALA A 18 11.572 0.718 0.345 1.00 0.00 C ATOM 315 C ALA A 18 11.322 0.178 -1.054 1.00 0.00 C ATOM 316 O ALA A 18 11.170 0.963 -1.981 1.00 0.00 O ATOM 317 CB ALA A 18 13.045 0.527 0.708 1.00 0.00 C ATOM 0 H ALA A 18 11.277 -0.436 2.040 1.00 0.00 H new ATOM 0 HA ALA A 18 11.322 1.779 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.670 1.036 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.233 0.945 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.284 -0.537 0.712 1.00 0.00 H new ATOM 323 N GLU A 19 11.309 -1.140 -1.215 1.00 0.00 N ATOM 324 CA GLU A 19 11.208 -1.766 -2.529 1.00 0.00 C ATOM 325 C GLU A 19 9.812 -1.577 -3.113 1.00 0.00 C ATOM 326 O GLU A 19 9.671 -1.169 -4.267 1.00 0.00 O ATOM 327 CB GLU A 19 11.576 -3.247 -2.441 1.00 0.00 C ATOM 328 CG GLU A 19 13.016 -3.398 -1.934 1.00 0.00 C ATOM 329 CD GLU A 19 13.710 -4.703 -2.297 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.164 -5.545 -3.050 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.789 -4.944 -1.716 1.00 0.00 O ATOM 0 H GLU A 19 11.368 -1.803 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 19 11.915 -1.280 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.889 -3.762 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.475 -3.715 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.608 -2.571 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.012 -3.300 -0.848 1.00 0.00 H new ATOM 338 N LEU A 20 8.774 -1.805 -2.297 1.00 0.00 N ATOM 339 CA LEU A 20 7.401 -1.508 -2.686 1.00 0.00 C ATOM 340 C LEU A 20 7.329 -0.049 -3.124 1.00 0.00 C ATOM 341 O LEU A 20 6.851 0.231 -4.220 1.00 0.00 O ATOM 342 CB LEU A 20 6.404 -1.824 -1.549 1.00 0.00 C ATOM 343 CG LEU A 20 4.937 -1.555 -1.958 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.441 -2.553 -3.009 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.970 -1.632 -0.777 1.00 0.00 C ATOM 0 H LEU A 20 8.867 -2.196 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 20 7.110 -2.147 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.511 -2.868 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.651 -1.221 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 20 4.946 -0.543 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.406 -2.326 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.062 -2.479 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.502 -3.565 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.956 -1.435 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.015 -2.627 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.249 -0.889 -0.030 1.00 0.00 H new ATOM 357 N ALA A 21 7.846 0.863 -2.301 1.00 0.00 N ATOM 358 CA ALA A 21 7.879 2.276 -2.620 1.00 0.00 C ATOM 359 C ALA A 21 8.538 2.540 -3.968 1.00 0.00 C ATOM 360 O ALA A 21 7.935 3.202 -4.810 1.00 0.00 O ATOM 361 CB ALA A 21 8.571 3.064 -1.516 1.00 0.00 C ATOM 0 H ALA A 21 8.253 0.634 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 21 6.846 2.616 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.584 4.122 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.031 2.928 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.594 2.706 -1.400 1.00 0.00 H new ATOM 367 N GLN A 22 9.739 1.994 -4.184 1.00 0.00 N ATOM 368 CA GLN A 22 10.550 2.200 -5.374 1.00 0.00 C ATOM 369 C GLN A 22 9.730 1.843 -6.608 1.00 0.00 C ATOM 370 O GLN A 22 9.642 2.623 -7.558 1.00 0.00 O ATOM 371 CB GLN A 22 11.832 1.337 -5.301 1.00 0.00 C ATOM 372 CG GLN A 22 13.052 2.009 -5.941 1.00 0.00 C ATOM 373 CD GLN A 22 13.586 3.133 -5.054 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.050 2.900 -3.942 1.00 0.00 O ATOM 375 NE2 GLN A 22 13.475 4.374 -5.484 1.00 0.00 N ATOM 0 H GLN A 22 10.183 1.375 -3.506 1.00 0.00 H new ATOM 0 HA GLN A 22 10.849 3.246 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.054 1.116 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.649 0.384 -5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.835 1.268 -6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.780 2.409 -6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.088 4.560 -6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.776 5.148 -4.891 1.00 0.00 H new ATOM 384 N LYS A 23 9.112 0.660 -6.606 1.00 0.00 N ATOM 385 CA LYS A 23 8.421 0.135 -7.757 1.00 0.00 C ATOM 386 C LYS A 23 7.122 0.889 -8.016 1.00 0.00 C ATOM 387 O LYS A 23 6.800 1.148 -9.180 1.00 0.00 O ATOM 388 CB LYS A 23 8.286 -1.378 -7.555 1.00 0.00 C ATOM 389 CG LYS A 23 6.897 -1.845 -7.136 1.00 0.00 C ATOM 390 CD LYS A 23 6.882 -3.346 -6.910 1.00 0.00 C ATOM 391 CE LYS A 23 5.423 -3.730 -6.694 1.00 0.00 C ATOM 392 NZ LYS A 23 5.278 -5.193 -6.601 1.00 0.00 N ATOM 0 H LYS A 23 9.084 0.044 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 23 8.980 0.291 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.558 -1.880 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.004 -1.695 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.595 -1.332 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.171 -1.581 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.300 -3.873 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.487 -3.615 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.050 -3.264 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.816 -3.351 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.276 -5.450 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.835 -5.646 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.620 -5.518 -5.674 1.00 0.00 H new ATOM 406 N VAL A 24 6.372 1.245 -6.968 1.00 0.00 N ATOM 407 CA VAL A 24 5.143 2.009 -7.107 1.00 0.00 C ATOM 408 C VAL A 24 5.496 3.466 -7.467 1.00 0.00 C ATOM 409 O VAL A 24 4.668 4.173 -8.038 1.00 0.00 O ATOM 410 CB VAL A 24 4.321 1.914 -5.805 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.908 2.453 -6.018 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.111 0.510 -5.202 1.00 0.00 C ATOM 0 H VAL A 24 6.605 1.009 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 24 4.528 1.602 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 24 4.936 2.491 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.345 2.377 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.960 3.497 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.409 1.870 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.518 0.590 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.588 -0.120 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.079 0.067 -4.967 1.00 0.00 H new ATOM 422 N GLY A 25 6.727 3.919 -7.208 1.00 0.00 N ATOM 423 CA GLY A 25 7.172 5.280 -7.456 1.00 0.00 C ATOM 424 C GLY A 25 6.644 6.260 -6.428 1.00 0.00 C ATOM 425 O GLY A 25 6.289 7.385 -6.775 1.00 0.00 O ATOM 0 H GLY A 25 7.456 3.327 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.262 5.308 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.847 5.590 -8.449 1.00 0.00 H new ATOM 429 N VAL A 26 6.471 5.806 -5.197 1.00 0.00 N ATOM 430 CA VAL A 26 6.230 6.590 -4.014 1.00 0.00 C ATOM 431 C VAL A 26 7.501 6.604 -3.152 1.00 0.00 C ATOM 432 O VAL A 26 8.480 5.933 -3.485 1.00 0.00 O ATOM 433 CB VAL A 26 4.996 6.000 -3.328 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.782 5.949 -4.267 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.185 4.606 -2.728 1.00 0.00 C ATOM 0 H VAL A 26 6.499 4.807 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 26 6.016 7.637 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 26 4.824 6.691 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.930 5.523 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.536 6.958 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.017 5.330 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.253 4.279 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.465 3.906 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.972 4.638 -1.974 1.00 0.00 H new ATOM 445 N ASP A 27 7.508 7.337 -2.041 1.00 0.00 N ATOM 446 CA ASP A 27 8.577 7.347 -1.056 1.00 0.00 C ATOM 447 C ASP A 27 8.428 6.120 -0.144 1.00 0.00 C ATOM 448 O ASP A 27 7.309 5.664 0.092 1.00 0.00 O ATOM 449 CB ASP A 27 8.535 8.634 -0.191 1.00 0.00 C ATOM 450 CG ASP A 27 7.261 9.504 -0.164 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.694 9.855 -1.227 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.825 9.865 0.953 1.00 0.00 O ATOM 0 H ASP A 27 6.740 7.962 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 27 9.531 7.320 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.749 8.341 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.356 9.272 -0.518 1.00 0.00 H new ATOM 457 N GLN A 28 9.523 5.629 0.460 1.00 0.00 N ATOM 458 CA GLN A 28 9.470 4.607 1.522 1.00 0.00 C ATOM 459 C GLN A 28 8.501 5.077 2.609 1.00 0.00 C ATOM 460 O GLN A 28 7.652 4.317 3.075 1.00 0.00 O ATOM 461 CB GLN A 28 10.857 4.366 2.136 1.00 0.00 C ATOM 462 CG GLN A 28 10.782 3.208 3.149 1.00 0.00 C ATOM 463 CD GLN A 28 11.986 3.167 4.068 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.992 2.531 3.764 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.875 3.799 5.219 1.00 0.00 N ATOM 0 H GLN A 28 10.470 5.928 0.227 1.00 0.00 H new ATOM 0 HA GLN A 28 9.129 3.667 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.576 4.130 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.209 5.272 2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.876 3.309 3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.706 2.263 2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.024 4.317 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.640 3.770 5.893 1.00 0.00 H new ATOM 474 N GLN A 29 8.638 6.346 3.000 1.00 0.00 N ATOM 475 CA GLN A 29 7.765 7.000 3.950 1.00 0.00 C ATOM 476 C GLN A 29 6.299 6.871 3.550 1.00 0.00 C ATOM 477 O GLN A 29 5.470 6.631 4.422 1.00 0.00 O ATOM 478 CB GLN A 29 8.195 8.449 4.191 1.00 0.00 C ATOM 479 CG GLN A 29 7.481 9.004 5.432 1.00 0.00 C ATOM 480 CD GLN A 29 8.004 10.375 5.849 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.498 11.147 5.032 1.00 0.00 O ATOM 482 NE2 GLN A 29 7.969 10.686 7.135 1.00 0.00 N ATOM 0 H GLN A 29 9.380 6.953 2.651 1.00 0.00 H new ATOM 0 HA GLN A 29 7.861 6.485 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.275 8.499 4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.956 9.059 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.412 9.074 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.604 8.306 6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.556 10.038 7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.355 11.574 7.456 1.00 0.00 H new ATOM 491 N ALA A 30 5.961 7.059 2.272 1.00 0.00 N ATOM 492 CA ALA A 30 4.593 6.904 1.810 1.00 0.00 C ATOM 493 C ALA A 30 4.028 5.531 2.169 1.00 0.00 C ATOM 494 O ALA A 30 2.873 5.470 2.579 1.00 0.00 O ATOM 495 CB ALA A 30 4.471 7.160 0.308 1.00 0.00 C ATOM 0 H ALA A 30 6.624 7.320 1.542 1.00 0.00 H new ATOM 0 HA ALA A 30 3.999 7.657 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.433 7.034 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.795 8.176 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.098 6.452 -0.234 1.00 0.00 H new ATOM 501 N ILE A 31 4.806 4.449 2.055 1.00 0.00 N ATOM 502 CA ILE A 31 4.355 3.131 2.491 1.00 0.00 C ATOM 503 C ILE A 31 4.246 3.109 4.016 1.00 0.00 C ATOM 504 O ILE A 31 3.239 2.649 4.539 1.00 0.00 O ATOM 505 CB ILE A 31 5.285 2.019 1.956 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.411 2.033 0.419 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.834 0.625 2.419 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.091 2.010 -0.369 1.00 0.00 C ATOM 0 H ILE A 31 5.748 4.464 1.665 1.00 0.00 H new ATOM 0 HA ILE A 31 3.367 2.932 2.076 1.00 0.00 H new ATOM 0 HB ILE A 31 6.267 2.234 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.968 2.924 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.006 1.172 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.514 -0.128 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.843 0.583 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.825 0.430 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.305 2.023 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.535 1.106 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.496 2.885 -0.108 1.00 0.00 H new ATOM 520 N GLU A 32 5.250 3.603 4.742 1.00 0.00 N ATOM 521 CA GLU A 32 5.268 3.546 6.204 1.00 0.00 C ATOM 522 C GLU A 32 4.072 4.282 6.811 1.00 0.00 C ATOM 523 O GLU A 32 3.426 3.787 7.736 1.00 0.00 O ATOM 524 CB GLU A 32 6.605 4.112 6.711 1.00 0.00 C ATOM 525 CG GLU A 32 6.655 4.358 8.227 1.00 0.00 C ATOM 526 CD GLU A 32 6.389 3.133 9.105 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.425 1.982 8.612 1.00 0.00 O ATOM 528 OE2 GLU A 32 6.213 3.317 10.330 1.00 0.00 O ATOM 0 H GLU A 32 6.070 4.052 4.335 1.00 0.00 H new ATOM 0 HA GLU A 32 5.180 2.507 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.404 3.422 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.807 5.051 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.637 4.758 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.924 5.127 8.476 1.00 0.00 H new ATOM 535 N GLN A 33 3.760 5.475 6.312 1.00 0.00 N ATOM 536 CA GLN A 33 2.600 6.202 6.786 1.00 0.00 C ATOM 537 C GLN A 33 1.326 5.457 6.385 1.00 0.00 C ATOM 538 O GLN A 33 0.358 5.437 7.133 1.00 0.00 O ATOM 539 CB GLN A 33 2.629 7.653 6.303 1.00 0.00 C ATOM 540 CG GLN A 33 2.250 7.824 4.834 1.00 0.00 C ATOM 541 CD GLN A 33 2.332 9.272 4.367 1.00 0.00 C ATOM 542 OE1 GLN A 33 2.460 10.200 5.165 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.252 9.507 3.072 1.00 0.00 N ATOM 0 H GLN A 33 4.294 5.951 5.585 1.00 0.00 H new ATOM 0 HA GLN A 33 2.616 6.250 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.947 8.243 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.629 8.058 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.910 7.211 4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.236 7.454 4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.146 8.731 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.296 10.465 2.724 1.00 0.00 H new ATOM 552 N LEU A 34 1.280 4.833 5.214 1.00 0.00 N ATOM 553 CA LEU A 34 0.056 4.219 4.747 1.00 0.00 C ATOM 554 C LEU A 34 -0.240 3.029 5.643 1.00 0.00 C ATOM 555 O LEU A 34 -1.376 2.858 6.074 1.00 0.00 O ATOM 556 CB LEU A 34 0.277 3.766 3.308 1.00 0.00 C ATOM 557 CG LEU A 34 -0.403 4.757 2.364 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.111 4.505 0.946 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.924 4.682 2.314 1.00 0.00 C ATOM 0 H LEU A 34 2.073 4.742 4.579 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.785 4.912 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.344 3.710 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.131 2.766 3.161 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.155 5.743 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.364 5.204 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.191 4.647 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.128 3.484 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.302 5.427 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.229 3.688 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.331 4.877 3.306 1.00 0.00 H new ATOM 571 N GLU A 35 0.795 2.256 5.960 1.00 0.00 N ATOM 572 CA GLU A 35 0.750 1.101 6.844 1.00 0.00 C ATOM 573 C GLU A 35 0.429 1.492 8.288 1.00 0.00 C ATOM 574 O GLU A 35 -0.146 0.692 9.021 1.00 0.00 O ATOM 575 CB GLU A 35 2.057 0.307 6.740 1.00 0.00 C ATOM 576 CG GLU A 35 2.130 -0.386 5.369 1.00 0.00 C ATOM 577 CD GLU A 35 3.359 -1.273 5.188 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.125 -1.535 6.141 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.558 -1.791 4.070 1.00 0.00 O ATOM 0 H GLU A 35 1.730 2.428 5.589 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.067 0.457 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.910 0.973 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.109 -0.435 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.234 -0.991 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.125 0.374 4.588 1.00 0.00 H new ATOM 586 N ASN A 36 0.740 2.719 8.718 1.00 0.00 N ATOM 587 CA ASN A 36 0.297 3.266 9.992 1.00 0.00 C ATOM 588 C ASN A 36 -1.196 3.617 9.967 1.00 0.00 C ATOM 589 O ASN A 36 -1.766 3.924 11.012 1.00 0.00 O ATOM 590 CB ASN A 36 1.084 4.555 10.257 1.00 0.00 C ATOM 591 CG ASN A 36 2.305 4.376 11.135 1.00 0.00 C ATOM 592 OD1 ASN A 36 2.208 4.228 12.351 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.473 4.481 10.541 1.00 0.00 N ATOM 0 H ASN A 36 1.316 3.365 8.178 1.00 0.00 H new ATOM 0 HA ASN A 36 0.465 2.518 10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.397 4.977 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.420 5.282 10.724 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.331 4.440 11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.522 4.603 9.530 1.00 0.00 H new ATOM 600 N GLY A 37 -1.820 3.671 8.787 1.00 0.00 N ATOM 601 CA GLY A 37 -3.109 4.316 8.582 1.00 0.00 C ATOM 602 C GLY A 37 -2.999 5.847 8.559 1.00 0.00 C ATOM 603 O GLY A 37 -4.015 6.537 8.585 1.00 0.00 O ATOM 0 H GLY A 37 -1.433 3.260 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.540 3.971 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.793 4.015 9.375 1.00 0.00 H new ATOM 607 N LYS A 38 -1.779 6.396 8.527 1.00 0.00 N ATOM 608 CA LYS A 38 -1.495 7.815 8.671 1.00 0.00 C ATOM 609 C LYS A 38 -1.892 8.534 7.373 1.00 0.00 C ATOM 610 O LYS A 38 -2.381 9.660 7.472 1.00 0.00 O ATOM 611 CB LYS A 38 0.009 8.005 8.964 1.00 0.00 C ATOM 612 CG LYS A 38 0.394 8.318 10.418 1.00 0.00 C ATOM 613 CD LYS A 38 1.134 9.647 10.574 1.00 0.00 C ATOM 614 CE LYS A 38 0.157 10.808 10.334 1.00 0.00 C ATOM 615 NZ LYS A 38 0.808 12.130 10.403 1.00 0.00 N ATOM 0 H LYS A 38 -0.936 5.837 8.395 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.066 8.237 9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.532 7.098 8.661 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.379 8.812 8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.508 8.338 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.021 7.513 10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.565 9.721 11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.961 9.701 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.308 10.688 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.642 10.763 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.101 12.874 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.229 12.261 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.553 12.188 9.679 1.00 0.00 H new ATOM 629 N ALA A 39 -1.709 7.953 6.169 1.00 0.00 N ATOM 630 CA ALA A 39 -2.472 8.418 5.016 1.00 0.00 C ATOM 631 C ALA A 39 -3.781 7.635 4.980 1.00 0.00 C ATOM 632 O ALA A 39 -3.778 6.418 5.182 1.00 0.00 O ATOM 633 CB ALA A 39 -1.677 8.224 3.726 1.00 0.00 C ATOM 0 H ALA A 39 -1.061 7.188 5.983 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.678 9.485 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.265 8.578 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.747 8.790 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.451 7.166 3.594 1.00 0.00 H new ATOM 639 N LYS A 40 -4.889 8.325 4.705 1.00 0.00 N ATOM 640 CA LYS A 40 -6.188 7.700 4.493 1.00 0.00 C ATOM 641 C LYS A 40 -6.213 7.081 3.109 1.00 0.00 C ATOM 642 O LYS A 40 -6.046 5.874 2.968 1.00 0.00 O ATOM 643 CB LYS A 40 -7.299 8.736 4.739 1.00 0.00 C ATOM 644 CG LYS A 40 -8.714 8.155 4.876 1.00 0.00 C ATOM 645 CD LYS A 40 -9.426 7.890 3.538 1.00 0.00 C ATOM 646 CE LYS A 40 -10.906 7.508 3.706 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.647 8.421 4.605 1.00 0.00 N ATOM 0 H LYS A 40 -4.906 9.342 4.623 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.367 6.891 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.062 9.291 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.295 9.452 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.657 7.221 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.320 8.843 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.356 8.781 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.908 7.089 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.386 7.503 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.970 6.493 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.636 8.489 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.616 8.052 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.210 9.364 4.579 1.00 0.00 H new ATOM 661 N ARG A 41 -6.365 7.900 2.072 1.00 0.00 N ATOM 662 CA ARG A 41 -6.342 7.469 0.688 1.00 0.00 C ATOM 663 C ARG A 41 -5.134 8.176 0.097 1.00 0.00 C ATOM 664 O ARG A 41 -5.092 9.402 0.173 1.00 0.00 O ATOM 665 CB ARG A 41 -7.662 7.856 0.002 1.00 0.00 C ATOM 666 CG ARG A 41 -7.610 7.741 -1.536 1.00 0.00 C ATOM 667 CD ARG A 41 -7.375 9.077 -2.257 1.00 0.00 C ATOM 668 NE ARG A 41 -8.588 9.906 -2.249 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.540 9.942 -3.187 1.00 0.00 C ATOM 670 NH1 ARG A 41 -9.394 9.317 -4.351 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.658 10.599 -2.919 1.00 0.00 N ATOM 0 H ARG A 41 -6.511 8.904 2.179 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.257 6.390 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.460 7.217 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.918 8.880 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.816 7.047 -1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.547 7.310 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.560 9.616 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.067 8.889 -3.285 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.717 10.518 -1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.540 8.794 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.136 9.360 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.775 11.060 -2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.402 10.644 -3.615 1.00 0.00 H new ATOM 685 N PRO A 42 -4.146 7.467 -0.451 1.00 0.00 N ATOM 686 CA PRO A 42 -3.097 8.135 -1.196 1.00 0.00 C ATOM 687 C PRO A 42 -3.657 8.567 -2.551 1.00 0.00 C ATOM 688 O PRO A 42 -4.577 7.924 -3.066 1.00 0.00 O ATOM 689 CB PRO A 42 -2.026 7.069 -1.353 1.00 0.00 C ATOM 690 CG PRO A 42 -2.808 5.752 -1.423 1.00 0.00 C ATOM 691 CD PRO A 42 -4.075 6.021 -0.611 1.00 0.00 C ATOM 0 HA PRO A 42 -2.705 9.030 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.435 7.229 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.332 7.075 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.045 5.484 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.234 4.926 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.957 5.641 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.032 5.522 0.357 1.00 0.00 H new ATOM 699 N ARG A 43 -3.045 9.568 -3.195 1.00 0.00 N ATOM 700 CA ARG A 43 -3.357 9.875 -4.596 1.00 0.00 C ATOM 701 C ARG A 43 -3.257 8.596 -5.438 1.00 0.00 C ATOM 702 O ARG A 43 -4.198 8.212 -6.134 1.00 0.00 O ATOM 703 CB ARG A 43 -2.482 11.043 -5.119 1.00 0.00 C ATOM 704 CG ARG A 43 -1.073 10.637 -5.583 1.00 0.00 C ATOM 705 CD ARG A 43 -0.177 11.787 -6.028 1.00 0.00 C ATOM 706 NE ARG A 43 0.943 11.257 -6.821 1.00 0.00 N ATOM 707 CZ ARG A 43 2.133 11.821 -7.039 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.537 12.886 -6.367 1.00 0.00 N ATOM 709 NH2 ARG A 43 2.922 11.283 -7.952 1.00 0.00 N ATOM 0 H ARG A 43 -2.339 10.173 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.385 10.228 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.999 11.521 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.388 11.789 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.579 10.107 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.169 9.933 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.750 12.501 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.201 12.325 -5.159 1.00 0.00 H new ATOM 0 HE ARG A 43 0.792 10.348 -7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.933 13.301 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.453 13.293 -6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.616 10.458 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.837 11.692 -8.140 1.00 0.00 H new ATOM 723 N PHE A 44 -2.127 7.903 -5.279 1.00 0.00 N ATOM 724 CA PHE A 44 -1.602 6.847 -6.127 1.00 0.00 C ATOM 725 C PHE A 44 -2.280 5.497 -5.877 1.00 0.00 C ATOM 726 O PHE A 44 -1.740 4.458 -6.237 1.00 0.00 O ATOM 727 CB PHE A 44 -0.075 6.792 -5.914 1.00 0.00 C ATOM 728 CG PHE A 44 0.374 6.669 -4.467 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.201 5.457 -3.777 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.960 7.764 -3.803 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.590 5.338 -2.433 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.337 7.650 -2.454 1.00 0.00 C ATOM 733 CZ PHE A 44 1.145 6.441 -1.763 1.00 0.00 C ATOM 0 H PHE A 44 -1.511 8.086 -4.487 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.821 7.071 -7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.323 5.946 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.367 7.693 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.235 4.610 -4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.120 8.692 -4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.463 4.399 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.776 8.495 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.423 6.361 -0.722 1.00 0.00 H new ATOM 743 N LEU A 45 -3.442 5.470 -5.230 1.00 0.00 N ATOM 744 CA LEU A 45 -4.180 4.275 -4.862 1.00 0.00 C ATOM 745 C LEU A 45 -4.263 3.208 -5.974 1.00 0.00 C ATOM 746 O LEU A 45 -3.922 2.062 -5.682 1.00 0.00 O ATOM 747 CB LEU A 45 -5.531 4.772 -4.315 1.00 0.00 C ATOM 748 CG LEU A 45 -6.497 3.679 -3.864 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.913 2.825 -2.742 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.789 4.326 -3.357 1.00 0.00 C ATOM 0 H LEU A 45 -3.914 6.325 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.654 3.710 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.340 5.435 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.019 5.369 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.688 3.035 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.635 2.061 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.997 2.347 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.690 3.457 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.482 3.549 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.562 4.982 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.244 4.907 -4.159 1.00 0.00 H new ATOM 762 N PRO A 46 -4.629 3.512 -7.234 1.00 0.00 N ATOM 763 CA PRO A 46 -4.635 2.511 -8.304 1.00 0.00 C ATOM 764 C PRO A 46 -3.241 2.067 -8.760 1.00 0.00 C ATOM 765 O PRO A 46 -3.082 0.953 -9.263 1.00 0.00 O ATOM 766 CB PRO A 46 -5.404 3.160 -9.453 1.00 0.00 C ATOM 767 CG PRO A 46 -5.209 4.650 -9.229 1.00 0.00 C ATOM 768 CD PRO A 46 -5.193 4.766 -7.713 1.00 0.00 C ATOM 0 HA PRO A 46 -5.096 1.591 -7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.014 2.847 -10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.459 2.888 -9.431 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.279 5.007 -9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.017 5.234 -9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.591 5.616 -7.391 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.198 4.920 -7.320 1.00 0.00 H new ATOM 776 N GLU A 47 -2.219 2.907 -8.609 1.00 0.00 N ATOM 777 CA GLU A 47 -0.844 2.556 -8.925 1.00 0.00 C ATOM 778 C GLU A 47 -0.338 1.580 -7.869 1.00 0.00 C ATOM 779 O GLU A 47 0.215 0.534 -8.209 1.00 0.00 O ATOM 780 CB GLU A 47 0.007 3.829 -8.958 1.00 0.00 C ATOM 781 CG GLU A 47 -0.389 4.759 -10.114 1.00 0.00 C ATOM 782 CD GLU A 47 -0.516 6.214 -9.679 1.00 0.00 C ATOM 783 OE1 GLU A 47 0.523 6.897 -9.559 1.00 0.00 O ATOM 784 OE2 GLU A 47 -1.659 6.703 -9.533 1.00 0.00 O ATOM 0 H GLU A 47 -2.328 3.859 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.780 2.080 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.100 4.361 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.059 3.559 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.355 4.684 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.337 4.425 -10.535 1.00 0.00 H new ATOM 791 N LEU A 48 -0.586 1.886 -6.589 1.00 0.00 N ATOM 792 CA LEU A 48 -0.260 1.010 -5.479 1.00 0.00 C ATOM 793 C LEU A 48 -0.961 -0.311 -5.666 1.00 0.00 C ATOM 794 O LEU A 48 -0.306 -1.338 -5.565 1.00 0.00 O ATOM 795 CB LEU A 48 -0.646 1.638 -4.135 1.00 0.00 C ATOM 796 CG LEU A 48 -0.402 0.704 -2.931 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.076 0.341 -2.753 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.896 1.383 -1.656 1.00 0.00 C ATOM 0 H LEU A 48 -1.024 2.761 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 48 0.819 0.853 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.076 2.557 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.699 1.917 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.950 -0.218 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.188 -0.317 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.436 -0.167 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.657 1.249 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.725 0.725 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.354 2.317 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.962 1.592 -1.745 1.00 0.00 H new ATOM 810 N ALA A 49 -2.266 -0.298 -5.925 1.00 0.00 N ATOM 811 CA ALA A 49 -3.008 -1.543 -6.049 1.00 0.00 C ATOM 812 C ALA A 49 -2.476 -2.406 -7.189 1.00 0.00 C ATOM 813 O ALA A 49 -2.271 -3.604 -6.983 1.00 0.00 O ATOM 814 CB ALA A 49 -4.504 -1.257 -6.224 1.00 0.00 C ATOM 0 H ALA A 49 -2.822 0.548 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.869 -2.109 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.046 -2.198 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.873 -0.708 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.658 -0.661 -7.124 1.00 0.00 H new ATOM 820 N ARG A 50 -2.200 -1.827 -8.364 1.00 0.00 N ATOM 821 CA ARG A 50 -1.643 -2.595 -9.475 1.00 0.00 C ATOM 822 C ARG A 50 -0.271 -3.149 -9.111 1.00 0.00 C ATOM 823 O ARG A 50 -0.013 -4.332 -9.337 1.00 0.00 O ATOM 824 CB ARG A 50 -1.573 -1.732 -10.742 1.00 0.00 C ATOM 825 CG ARG A 50 -1.525 -2.630 -11.986 1.00 0.00 C ATOM 826 CD ARG A 50 -1.535 -1.813 -13.276 1.00 0.00 C ATOM 827 NE ARG A 50 -0.241 -1.148 -13.525 1.00 0.00 N ATOM 828 CZ ARG A 50 -0.066 -0.033 -14.242 1.00 0.00 C ATOM 829 NH1 ARG A 50 -1.116 0.672 -14.647 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.155 0.375 -14.569 1.00 0.00 N ATOM 0 H ARG A 50 -2.353 -0.839 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.301 -3.440 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.440 -1.073 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.690 -1.094 -10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.627 -3.248 -11.954 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.379 -3.308 -11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.774 -2.466 -14.116 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.323 -1.062 -13.222 1.00 0.00 H new ATOM 0 HE ARG A 50 0.590 -1.575 -13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.059 0.363 -14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.979 1.522 -15.194 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.969 -0.164 -14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.279 1.227 -15.116 1.00 0.00 H new ATOM 844 N ALA A 51 0.605 -2.318 -8.545 1.00 0.00 N ATOM 845 CA ALA A 51 1.937 -2.722 -8.137 1.00 0.00 C ATOM 846 C ALA A 51 1.860 -3.825 -7.075 1.00 0.00 C ATOM 847 O ALA A 51 2.623 -4.790 -7.141 1.00 0.00 O ATOM 848 CB ALA A 51 2.699 -1.495 -7.626 1.00 0.00 C ATOM 0 H ALA A 51 0.401 -1.336 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 51 2.476 -3.134 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.701 -1.792 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.769 -0.753 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.170 -1.066 -6.775 1.00 0.00 H new ATOM 854 N LEU A 52 0.968 -3.701 -6.087 1.00 0.00 N ATOM 855 CA LEU A 52 0.781 -4.701 -5.045 1.00 0.00 C ATOM 856 C LEU A 52 0.276 -5.995 -5.677 1.00 0.00 C ATOM 857 O LEU A 52 0.799 -7.066 -5.384 1.00 0.00 O ATOM 858 CB LEU A 52 -0.177 -4.146 -3.985 1.00 0.00 C ATOM 859 CG LEU A 52 -0.045 -4.722 -2.571 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.384 -4.727 -1.997 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.912 -3.849 -1.661 1.00 0.00 C ATOM 0 H LEU A 52 0.352 -2.893 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 52 1.723 -4.930 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.034 -3.067 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.198 -4.314 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.350 -5.767 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.372 -5.153 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.031 -5.326 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.762 -3.706 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.852 -4.219 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.555 -2.820 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.947 -3.886 -2.000 1.00 0.00 H new ATOM 873 N GLY A 53 -0.687 -5.885 -6.591 1.00 0.00 N ATOM 874 CA GLY A 53 -1.378 -6.990 -7.227 1.00 0.00 C ATOM 875 C GLY A 53 -2.658 -7.295 -6.467 1.00 0.00 C ATOM 876 O GLY A 53 -2.840 -8.429 -6.040 1.00 0.00 O ATOM 0 H GLY A 53 -1.017 -4.977 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.609 -6.740 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.736 -7.871 -7.247 1.00 0.00 H new ATOM 880 N VAL A 54 -3.503 -6.289 -6.242 1.00 0.00 N ATOM 881 CA VAL A 54 -4.867 -6.405 -5.718 1.00 0.00 C ATOM 882 C VAL A 54 -5.706 -5.318 -6.407 1.00 0.00 C ATOM 883 O VAL A 54 -5.157 -4.521 -7.178 1.00 0.00 O ATOM 884 CB VAL A 54 -4.894 -6.299 -4.171 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.015 -7.343 -3.470 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.472 -4.909 -3.684 1.00 0.00 C ATOM 0 H VAL A 54 -3.243 -5.321 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.288 -7.386 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.933 -6.489 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.082 -7.209 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.358 -8.343 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.980 -7.219 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.505 -4.879 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.457 -4.698 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.153 -4.160 -4.088 1.00 0.00 H new ATOM 896 N ALA A 55 -7.018 -5.262 -6.170 1.00 0.00 N ATOM 897 CA ALA A 55 -7.831 -4.142 -6.641 1.00 0.00 C ATOM 898 C ALA A 55 -7.778 -2.953 -5.680 1.00 0.00 C ATOM 899 O ALA A 55 -7.509 -3.113 -4.491 1.00 0.00 O ATOM 900 CB ALA A 55 -9.284 -4.584 -6.811 1.00 0.00 C ATOM 0 H ALA A 55 -7.537 -5.975 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.420 -3.824 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.882 -3.743 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.335 -5.394 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.673 -4.931 -5.854 1.00 0.00 H new ATOM 906 N VAL A 56 -8.160 -1.774 -6.171 1.00 0.00 N ATOM 907 CA VAL A 56 -8.461 -0.601 -5.353 1.00 0.00 C ATOM 908 C VAL A 56 -9.591 -0.930 -4.375 1.00 0.00 C ATOM 909 O VAL A 56 -9.519 -0.513 -3.223 1.00 0.00 O ATOM 910 CB VAL A 56 -8.826 0.564 -6.302 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.423 1.767 -5.567 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.585 1.026 -7.079 1.00 0.00 C ATOM 0 H VAL A 56 -8.271 -1.605 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.600 -0.305 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.584 0.178 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.659 2.552 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.333 1.463 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.703 2.144 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.856 1.846 -7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.822 1.364 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.195 0.196 -7.668 1.00 0.00 H new ATOM 922 N ASP A 57 -10.606 -1.698 -4.788 1.00 0.00 N ATOM 923 CA ASP A 57 -11.705 -2.055 -3.887 1.00 0.00 C ATOM 924 C ASP A 57 -11.210 -2.957 -2.758 1.00 0.00 C ATOM 925 O ASP A 57 -11.615 -2.786 -1.612 1.00 0.00 O ATOM 926 CB ASP A 57 -12.844 -2.743 -4.651 1.00 0.00 C ATOM 927 CG ASP A 57 -14.185 -2.608 -3.927 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.293 -2.924 -2.726 1.00 0.00 O ATOM 929 OD2 ASP A 57 -15.156 -2.123 -4.550 1.00 0.00 O ATOM 0 H ASP A 57 -10.688 -2.080 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.090 -1.132 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.925 -2.310 -5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.607 -3.799 -4.781 1.00 0.00 H new ATOM 934 N TRP A 58 -10.267 -3.865 -3.044 1.00 0.00 N ATOM 935 CA TRP A 58 -9.652 -4.667 -1.996 1.00 0.00 C ATOM 936 C TRP A 58 -8.867 -3.751 -1.077 1.00 0.00 C ATOM 937 O TRP A 58 -8.964 -3.873 0.137 1.00 0.00 O ATOM 938 CB TRP A 58 -8.703 -5.721 -2.554 1.00 0.00 C ATOM 939 CG TRP A 58 -8.080 -6.578 -1.494 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.601 -7.736 -1.053 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.860 -6.382 -0.715 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.829 -8.258 -0.038 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.726 -7.470 0.195 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.847 -5.402 -0.683 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.648 -7.576 1.079 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.726 -5.530 0.161 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.630 -6.616 1.046 1.00 0.00 C ATOM 0 H TRP A 58 -9.921 -4.056 -3.984 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.450 -5.182 -1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.247 -6.357 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.915 -5.226 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.499 -8.193 -1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.046 -9.114 0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.932 -4.534 -1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.601 -8.394 1.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.939 -4.791 0.127 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.774 -6.710 1.698 1.00 0.00 H new ATOM 958 N LEU A 59 -8.081 -2.839 -1.644 1.00 0.00 N ATOM 959 CA LEU A 59 -7.295 -1.919 -0.858 1.00 0.00 C ATOM 960 C LEU A 59 -8.175 -1.138 0.099 1.00 0.00 C ATOM 961 O LEU A 59 -7.869 -1.116 1.287 1.00 0.00 O ATOM 962 CB LEU A 59 -6.468 -1.014 -1.760 1.00 0.00 C ATOM 963 CG LEU A 59 -4.996 -1.427 -1.893 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.257 -0.236 -2.489 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.253 -1.765 -0.591 1.00 0.00 C ATOM 0 H LEU A 59 -7.978 -2.725 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.594 -2.488 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.920 -0.999 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.514 0.004 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.006 -2.340 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.201 -0.483 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.681 0.004 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.359 0.624 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.224 -2.041 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.258 -0.896 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.750 -2.598 -0.094 1.00 0.00 H new ATOM 977 N LEU A 60 -9.259 -0.544 -0.394 1.00 0.00 N ATOM 978 CA LEU A 60 -10.178 0.242 0.410 1.00 0.00 C ATOM 979 C LEU A 60 -10.897 -0.650 1.417 1.00 0.00 C ATOM 980 O LEU A 60 -10.801 -0.418 2.619 1.00 0.00 O ATOM 981 CB LEU A 60 -11.172 0.977 -0.505 1.00 0.00 C ATOM 982 CG LEU A 60 -10.542 2.194 -1.218 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.460 2.683 -2.342 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.258 3.366 -0.264 1.00 0.00 C ATOM 0 H LEU A 60 -9.523 -0.599 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.619 0.989 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.554 0.281 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.025 1.310 0.086 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.588 1.854 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.004 3.541 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.606 1.882 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.424 2.975 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.816 4.191 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.190 3.696 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.566 3.043 0.514 1.00 0.00 H new ATOM 996 N ASN A 61 -11.616 -1.666 0.946 1.00 0.00 N ATOM 997 CA ASN A 61 -12.641 -2.360 1.722 1.00 0.00 C ATOM 998 C ASN A 61 -12.199 -3.737 2.211 1.00 0.00 C ATOM 999 O ASN A 61 -12.661 -4.169 3.265 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.916 -2.494 0.884 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.426 -1.137 0.420 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.868 -0.319 1.219 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.340 -0.845 -0.866 1.00 0.00 N ATOM 0 H ASN A 61 -11.502 -2.035 0.002 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.827 -1.757 2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.718 -3.125 0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.688 -2.992 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.643 0.069 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.971 -1.533 -1.522 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.289 -4.418 1.510 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.649 -5.631 2.005 1.00 0.00 C ATOM 1012 C GLY A 62 -11.538 -6.860 1.952 1.00 0.00 C ATOM 1013 O GLY A 62 -11.735 -7.504 2.985 1.00 0.00 O ATOM 0 H GLY A 62 -10.977 -4.139 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.749 -5.820 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.331 -5.468 3.035 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.987 -7.219 0.742 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.741 -8.435 0.422 1.00 0.00 C ATOM 1019 C ALA A 63 -13.834 -8.732 1.451 1.00 0.00 C ATOM 1020 O ALA A 63 -14.561 -7.816 1.842 1.00 0.00 O ATOM 1021 CB ALA A 63 -11.771 -9.612 0.243 1.00 0.00 C ATOM 0 H ALA A 63 -11.825 -6.639 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.266 -8.275 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.334 -10.515 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.078 -9.392 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.211 -9.766 1.166 1.00 0.00 H new