USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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 42 SER OG : rot 38:sc= 1.22 USER MOD Set 1.2: A 44 GLN : amide:sc= -5.77! K(o=-4.5!,f=0.82) USER MOD Set 2.1: A 1 SER N :NH3+ 150:sc= 0.18 (180deg=0.0325) USER MOD Set 2.2: A 2 ASN : amide:sc= -0.152 K(o=0.028,f=-3.9!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.319 K(o=0.32,f=-0.21) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0.558 (180deg=0.288) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0999 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0281) USER MOD Single : A 34 SER OG : rot 41:sc= 0.0552 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 106:sc= 0.185 USER MOD Single : A 53 ASN : amide:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : A 54 GLN : amide:sc= 1.81 K(o=1.8,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.605 1.062 -18.711 1.00 0.00 N ATOM 2 CA SER A 1 -15.222 0.330 -17.525 1.00 0.00 C ATOM 3 C SER A 1 -14.603 1.313 -16.568 1.00 0.00 C ATOM 4 O SER A 1 -13.607 1.938 -16.895 1.00 0.00 O ATOM 5 CB SER A 1 -14.234 -0.739 -17.944 1.00 0.00 C ATOM 6 OG SER A 1 -14.766 -1.446 -19.060 1.00 0.00 O ATOM 0 H1 SER A 1 -15.551 0.435 -19.539 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.579 1.412 -18.604 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.961 1.867 -18.845 1.00 0.00 H new ATOM 0 HA SER A 1 -16.069 -0.151 -17.036 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.277 -0.287 -18.205 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.047 -1.425 -17.117 1.00 0.00 H new ATOM 0 HG SER A 1 -14.133 -2.139 -19.340 1.00 0.00 H new ATOM 14 N ASN A 2 -15.209 1.482 -15.420 1.00 0.00 N ATOM 15 CA ASN A 2 -14.774 2.497 -14.493 1.00 0.00 C ATOM 16 C ASN A 2 -14.320 1.836 -13.228 1.00 0.00 C ATOM 17 O ASN A 2 -15.081 1.100 -12.604 1.00 0.00 O ATOM 18 CB ASN A 2 -15.919 3.505 -14.188 1.00 0.00 C ATOM 19 CG ASN A 2 -16.472 4.250 -15.421 1.00 0.00 C ATOM 20 OD1 ASN A 2 -16.495 3.726 -16.549 1.00 0.00 O ATOM 21 ND2 ASN A 2 -16.930 5.462 -15.218 1.00 0.00 N ATOM 0 H ASN A 2 -16.006 0.929 -15.104 1.00 0.00 H new ATOM 0 HA ASN A 2 -13.950 3.055 -14.939 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -16.738 2.969 -13.708 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -15.555 4.240 -13.470 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -17.317 5.998 -15.995 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -16.900 5.869 -14.283 1.00 0.00 H new ATOM 28 N ALA A 3 -13.083 2.054 -12.865 1.00 0.00 N ATOM 29 CA ALA A 3 -12.551 1.469 -11.663 1.00 0.00 C ATOM 30 C ALA A 3 -12.869 2.355 -10.470 1.00 0.00 C ATOM 31 O ALA A 3 -12.096 3.245 -10.109 1.00 0.00 O ATOM 32 CB ALA A 3 -11.056 1.202 -11.784 1.00 0.00 C ATOM 0 H ALA A 3 -12.424 2.633 -13.386 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.029 0.502 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.689 0.760 -10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.875 0.515 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.533 2.140 -11.971 1.00 0.00 H new ATOM 38 N MET A 4 -14.044 2.164 -9.928 1.00 0.00 N ATOM 39 CA MET A 4 -14.503 2.948 -8.792 1.00 0.00 C ATOM 40 C MET A 4 -14.576 2.077 -7.543 1.00 0.00 C ATOM 41 O MET A 4 -14.731 2.566 -6.428 1.00 0.00 O ATOM 42 CB MET A 4 -15.868 3.583 -9.118 1.00 0.00 C ATOM 43 CG MET A 4 -16.443 4.490 -8.036 1.00 0.00 C ATOM 44 SD MET A 4 -18.023 5.212 -8.518 1.00 0.00 S ATOM 45 CE MET A 4 -18.425 6.160 -7.051 1.00 0.00 C ATOM 0 H MET A 4 -14.713 1.466 -10.254 1.00 0.00 H new ATOM 0 HA MET A 4 -13.792 3.750 -8.593 1.00 0.00 H new ATOM 0 HB2 MET A 4 -15.771 4.160 -10.038 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.583 2.784 -9.317 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.572 3.919 -7.117 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.733 5.288 -7.818 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.379 6.667 -7.195 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.495 5.491 -6.193 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.645 6.900 -6.871 1.00 0.00 H new ATOM 55 N GLU A 5 -14.423 0.798 -7.742 1.00 0.00 N ATOM 56 CA GLU A 5 -14.496 -0.146 -6.660 1.00 0.00 C ATOM 57 C GLU A 5 -13.188 -0.206 -5.923 1.00 0.00 C ATOM 58 O GLU A 5 -12.150 -0.589 -6.470 1.00 0.00 O ATOM 59 CB GLU A 5 -14.940 -1.507 -7.150 1.00 0.00 C ATOM 60 CG GLU A 5 -14.981 -2.592 -6.088 1.00 0.00 C ATOM 61 CD GLU A 5 -15.469 -3.907 -6.642 1.00 0.00 C ATOM 62 OE1 GLU A 5 -16.681 -4.175 -6.540 1.00 0.00 O ATOM 63 OE2 GLU A 5 -14.643 -4.661 -7.192 1.00 0.00 O ATOM 0 H GLU A 5 -14.245 0.380 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.253 0.195 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.933 -1.412 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.269 -1.826 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.985 -2.724 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.633 -2.277 -5.273 1.00 0.00 H new ATOM 70 N LEU A 6 -13.256 0.250 -4.715 1.00 0.00 N ATOM 71 CA LEU A 6 -12.153 0.321 -3.799 1.00 0.00 C ATOM 72 C LEU A 6 -12.698 0.134 -2.399 1.00 0.00 C ATOM 73 O LEU A 6 -13.509 0.932 -1.939 1.00 0.00 O ATOM 74 CB LEU A 6 -11.483 1.699 -3.904 1.00 0.00 C ATOM 75 CG LEU A 6 -10.747 2.015 -5.215 1.00 0.00 C ATOM 76 CD1 LEU A 6 -10.303 3.463 -5.242 1.00 0.00 C ATOM 77 CD2 LEU A 6 -9.543 1.098 -5.380 1.00 0.00 C ATOM 0 H LEU A 6 -14.126 0.603 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.417 -0.449 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.248 2.461 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.771 1.794 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.436 1.847 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.784 3.667 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.175 4.112 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.631 3.653 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.031 1.334 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.858 1.243 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.876 0.060 -5.401 1.00 0.00 H new ATOM 89 N ASP A 7 -12.282 -0.914 -1.737 1.00 0.00 N ATOM 90 CA ASP A 7 -12.738 -1.224 -0.394 1.00 0.00 C ATOM 91 C ASP A 7 -11.717 -0.778 0.635 1.00 0.00 C ATOM 92 O ASP A 7 -11.678 -1.259 1.753 1.00 0.00 O ATOM 93 CB ASP A 7 -13.035 -2.723 -0.267 1.00 0.00 C ATOM 94 CG ASP A 7 -11.827 -3.633 -0.480 1.00 0.00 C ATOM 95 OD1 ASP A 7 -11.691 -4.646 0.233 1.00 0.00 O ATOM 96 OD2 ASP A 7 -10.996 -3.357 -1.379 1.00 0.00 O ATOM 0 H ASP A 7 -11.612 -1.586 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.661 -0.677 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.447 -2.915 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.806 -2.989 -0.990 1.00 0.00 H new ATOM 101 N LEU A 8 -10.961 0.201 0.249 1.00 0.00 N ATOM 102 CA LEU A 8 -9.920 0.767 1.066 1.00 0.00 C ATOM 103 C LEU A 8 -10.230 2.235 1.318 1.00 0.00 C ATOM 104 O LEU A 8 -10.694 2.937 0.405 1.00 0.00 O ATOM 105 CB LEU A 8 -8.551 0.690 0.357 1.00 0.00 C ATOM 106 CG LEU A 8 -7.975 -0.689 -0.035 1.00 0.00 C ATOM 107 CD1 LEU A 8 -8.068 -1.697 1.097 1.00 0.00 C ATOM 108 CD2 LEU A 8 -8.575 -1.221 -1.330 1.00 0.00 C ATOM 0 H LEU A 8 -11.048 0.644 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.877 0.203 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.620 1.286 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.821 1.178 1.003 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.913 -0.534 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.650 -2.650 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.508 -1.331 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.113 -1.835 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.137 -2.192 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.654 -1.327 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.364 -0.525 -2.142 1.00 0.00 H new ATOM 120 N GLN A 9 -10.006 2.695 2.521 1.00 0.00 N ATOM 121 CA GLN A 9 -10.172 4.079 2.884 1.00 0.00 C ATOM 122 C GLN A 9 -8.840 4.642 3.392 1.00 0.00 C ATOM 123 O GLN A 9 -7.939 3.882 3.764 1.00 0.00 O ATOM 124 CB GLN A 9 -11.274 4.224 3.944 1.00 0.00 C ATOM 125 CG GLN A 9 -12.671 3.928 3.418 1.00 0.00 C ATOM 126 CD GLN A 9 -13.110 4.926 2.359 1.00 0.00 C ATOM 127 OE1 GLN A 9 -13.710 5.947 2.666 1.00 0.00 O ATOM 128 NE2 GLN A 9 -12.791 4.664 1.115 1.00 0.00 N ATOM 0 H GLN A 9 -9.696 2.105 3.293 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.476 4.649 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.058 3.552 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.252 5.239 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.694 2.922 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.380 3.944 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.290 3.805 0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -13.043 5.319 0.375 1.00 0.00 H new ATOM 137 N PRO A 10 -8.659 5.978 3.379 1.00 0.00 N ATOM 138 CA PRO A 10 -7.430 6.585 3.840 1.00 0.00 C ATOM 139 C PRO A 10 -7.255 6.464 5.347 1.00 0.00 C ATOM 140 O PRO A 10 -7.755 7.271 6.127 1.00 0.00 O ATOM 141 CB PRO A 10 -7.511 8.044 3.419 1.00 0.00 C ATOM 142 CG PRO A 10 -8.823 8.220 2.711 1.00 0.00 C ATOM 143 CD PRO A 10 -9.635 6.974 2.934 1.00 0.00 C ATOM 0 HA PRO A 10 -6.566 6.080 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.449 8.701 4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.680 8.304 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.350 9.094 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.663 8.387 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.410 7.134 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.137 6.658 2.019 1.00 0.00 H new ATOM 151 N GLY A 11 -6.560 5.441 5.730 1.00 0.00 N ATOM 152 CA GLY A 11 -6.333 5.145 7.108 1.00 0.00 C ATOM 153 C GLY A 11 -6.131 3.674 7.297 1.00 0.00 C ATOM 154 O GLY A 11 -5.546 3.248 8.292 1.00 0.00 O ATOM 0 H GLY A 11 -6.128 4.779 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.457 5.688 7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.181 5.482 7.704 1.00 0.00 H new ATOM 158 N ASP A 12 -6.575 2.909 6.306 1.00 0.00 N ATOM 159 CA ASP A 12 -6.504 1.460 6.334 1.00 0.00 C ATOM 160 C ASP A 12 -5.104 0.954 6.347 1.00 0.00 C ATOM 161 O ASP A 12 -4.264 1.374 5.529 1.00 0.00 O ATOM 162 CB ASP A 12 -7.231 0.832 5.144 1.00 0.00 C ATOM 163 CG ASP A 12 -8.704 0.652 5.364 1.00 0.00 C ATOM 164 OD1 ASP A 12 -9.483 1.418 4.776 1.00 0.00 O ATOM 165 OD2 ASP A 12 -9.078 -0.258 6.117 1.00 0.00 O ATOM 0 H ASP A 12 -6.997 3.284 5.456 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.994 1.168 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.078 1.458 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.784 -0.138 4.927 1.00 0.00 H new ATOM 170 N VAL A 13 -4.839 0.084 7.276 1.00 0.00 N ATOM 171 CA VAL A 13 -3.597 -0.613 7.331 1.00 0.00 C ATOM 172 C VAL A 13 -3.716 -1.822 6.405 1.00 0.00 C ATOM 173 O VAL A 13 -4.532 -2.733 6.611 1.00 0.00 O ATOM 174 CB VAL A 13 -3.179 -0.986 8.795 1.00 0.00 C ATOM 175 CG1 VAL A 13 -4.293 -1.703 9.548 1.00 0.00 C ATOM 176 CG2 VAL A 13 -1.890 -1.807 8.810 1.00 0.00 C ATOM 0 H VAL A 13 -5.489 -0.161 8.023 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.786 0.029 6.987 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.991 -0.049 9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.956 -1.941 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.170 -1.058 9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.551 -2.624 9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.626 -2.050 9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.039 -2.728 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.085 -1.229 8.356 1.00 0.00 H new ATOM 186 N VAL A 14 -2.944 -1.795 5.373 1.00 0.00 N ATOM 187 CA VAL A 14 -3.082 -2.716 4.291 1.00 0.00 C ATOM 188 C VAL A 14 -1.795 -3.454 3.998 1.00 0.00 C ATOM 189 O VAL A 14 -0.740 -3.193 4.588 1.00 0.00 O ATOM 190 CB VAL A 14 -3.520 -1.962 2.989 1.00 0.00 C ATOM 191 CG1 VAL A 14 -4.879 -1.307 3.152 1.00 0.00 C ATOM 192 CG2 VAL A 14 -2.487 -0.910 2.591 1.00 0.00 C ATOM 0 H VAL A 14 -2.186 -1.123 5.253 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.839 -3.439 4.593 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.590 -2.708 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.149 -0.794 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.626 -2.069 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.840 -0.587 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.816 -0.402 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.379 -0.183 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.527 -1.393 2.408 1.00 0.00 H new ATOM 202 N LYS A 15 -1.920 -4.385 3.119 1.00 0.00 N ATOM 203 CA LYS A 15 -0.852 -5.104 2.540 1.00 0.00 C ATOM 204 C LYS A 15 -0.932 -4.822 1.056 1.00 0.00 C ATOM 205 O LYS A 15 -2.031 -4.891 0.468 1.00 0.00 O ATOM 206 CB LYS A 15 -1.010 -6.605 2.849 1.00 0.00 C ATOM 207 CG LYS A 15 -2.425 -7.134 2.634 1.00 0.00 C ATOM 208 CD LYS A 15 -2.545 -8.605 2.950 1.00 0.00 C ATOM 209 CE LYS A 15 -3.976 -9.090 2.738 1.00 0.00 C ATOM 210 NZ LYS A 15 -4.168 -10.516 3.089 1.00 0.00 N ATOM 0 H LYS A 15 -2.831 -4.679 2.766 1.00 0.00 H new ATOM 0 HA LYS A 15 0.120 -4.807 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.322 -7.170 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.718 -6.786 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.118 -6.573 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.720 -6.962 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.866 -9.174 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.244 -8.786 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.652 -8.481 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.253 -8.939 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.141 -10.802 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.499 -11.100 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.999 -10.649 4.107 1.00 0.00 H new ATOM 224 N VAL A 16 0.162 -4.422 0.470 1.00 0.00 N ATOM 225 CA VAL A 16 0.182 -4.094 -0.926 1.00 0.00 C ATOM 226 C VAL A 16 1.217 -4.892 -1.685 1.00 0.00 C ATOM 227 O VAL A 16 2.383 -4.956 -1.306 1.00 0.00 O ATOM 228 CB VAL A 16 0.368 -2.573 -1.186 1.00 0.00 C ATOM 229 CG1 VAL A 16 -0.824 -1.816 -0.679 1.00 0.00 C ATOM 230 CG2 VAL A 16 1.626 -2.035 -0.528 1.00 0.00 C ATOM 0 H VAL A 16 1.059 -4.315 0.944 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.802 -4.370 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 16 0.466 -2.436 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.685 -0.751 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.720 -2.161 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.934 -1.986 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.717 -0.969 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.569 -2.192 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.496 -2.557 -0.925 1.00 0.00 H new ATOM 240 N LEU A 17 0.785 -5.513 -2.732 1.00 0.00 N ATOM 241 CA LEU A 17 1.655 -6.288 -3.571 1.00 0.00 C ATOM 242 C LEU A 17 2.173 -5.381 -4.670 1.00 0.00 C ATOM 243 O LEU A 17 1.540 -5.242 -5.718 1.00 0.00 O ATOM 244 CB LEU A 17 0.895 -7.488 -4.169 1.00 0.00 C ATOM 245 CG LEU A 17 1.657 -8.427 -5.115 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.585 -9.323 -4.356 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.698 -9.233 -5.973 1.00 0.00 C ATOM 0 H LEU A 17 -0.188 -5.500 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 17 2.488 -6.683 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.512 -8.086 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.031 -7.100 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 17 2.262 -7.810 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.111 -9.976 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.309 -8.718 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.013 -9.928 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.265 -9.889 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.052 -9.833 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.088 -8.556 -6.571 1.00 0.00 H new ATOM 259 N GLU A 18 3.261 -4.688 -4.385 1.00 0.00 N ATOM 260 CA GLU A 18 3.855 -3.788 -5.356 1.00 0.00 C ATOM 261 C GLU A 18 4.451 -4.580 -6.508 1.00 0.00 C ATOM 262 O GLU A 18 4.076 -4.418 -7.665 1.00 0.00 O ATOM 263 CB GLU A 18 4.929 -2.903 -4.710 1.00 0.00 C ATOM 264 CG GLU A 18 5.677 -2.042 -5.722 1.00 0.00 C ATOM 265 CD GLU A 18 6.642 -1.084 -5.093 1.00 0.00 C ATOM 266 OE1 GLU A 18 6.551 0.116 -5.368 1.00 0.00 O ATOM 267 OE2 GLU A 18 7.491 -1.508 -4.287 1.00 0.00 O ATOM 0 H GLU A 18 3.750 -4.731 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 18 3.068 -3.138 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.461 -2.257 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.642 -3.534 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.218 -2.691 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.954 -1.481 -6.315 1.00 0.00 H new ATOM 274 N SER A 19 5.342 -5.461 -6.172 1.00 0.00 N ATOM 275 CA SER A 19 6.007 -6.260 -7.135 1.00 0.00 C ATOM 276 C SER A 19 5.831 -7.699 -6.762 1.00 0.00 C ATOM 277 O SER A 19 5.672 -8.012 -5.587 1.00 0.00 O ATOM 278 CB SER A 19 7.491 -5.911 -7.152 1.00 0.00 C ATOM 279 OG SER A 19 8.205 -6.672 -8.122 1.00 0.00 O ATOM 0 H SER A 19 5.626 -5.642 -5.209 1.00 0.00 H new ATOM 0 HA SER A 19 5.590 -6.078 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.612 -4.849 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.917 -6.090 -6.165 1.00 0.00 H new ATOM 0 HG SER A 19 9.152 -6.419 -8.104 1.00 0.00 H new ATOM 285 N ALA A 20 5.883 -8.573 -7.740 1.00 0.00 N ATOM 286 CA ALA A 20 5.787 -9.997 -7.497 1.00 0.00 C ATOM 287 C ALA A 20 7.090 -10.502 -6.883 1.00 0.00 C ATOM 288 O ALA A 20 7.130 -11.549 -6.273 1.00 0.00 O ATOM 289 CB ALA A 20 5.482 -10.736 -8.793 1.00 0.00 C ATOM 0 H ALA A 20 5.992 -8.321 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 20 4.972 -10.187 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.413 -11.806 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.536 -10.381 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.279 -10.552 -9.513 1.00 0.00 H new ATOM 295 N ALA A 21 8.148 -9.711 -7.044 1.00 0.00 N ATOM 296 CA ALA A 21 9.452 -10.055 -6.506 1.00 0.00 C ATOM 297 C ALA A 21 9.612 -9.519 -5.087 1.00 0.00 C ATOM 298 O ALA A 21 10.522 -9.902 -4.372 1.00 0.00 O ATOM 299 CB ALA A 21 10.552 -9.511 -7.408 1.00 0.00 C ATOM 0 H ALA A 21 8.122 -8.824 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 21 9.534 -11.141 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.525 -9.775 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.452 -9.942 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.467 -8.426 -7.472 1.00 0.00 H new ATOM 305 N LEU A 22 8.736 -8.605 -4.700 1.00 0.00 N ATOM 306 CA LEU A 22 8.783 -8.041 -3.354 1.00 0.00 C ATOM 307 C LEU A 22 7.667 -8.622 -2.502 1.00 0.00 C ATOM 308 O LEU A 22 7.853 -8.924 -1.332 1.00 0.00 O ATOM 309 CB LEU A 22 8.677 -6.510 -3.397 1.00 0.00 C ATOM 310 CG LEU A 22 9.793 -5.770 -4.152 1.00 0.00 C ATOM 311 CD1 LEU A 22 9.529 -4.275 -4.158 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.155 -6.063 -3.531 1.00 0.00 C ATOM 0 H LEU A 22 7.989 -8.239 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 22 9.742 -8.303 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.723 -6.246 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.654 -6.140 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 22 9.801 -6.128 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.329 -3.766 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.577 -4.076 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.492 -3.908 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.929 -5.529 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.159 -5.736 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.352 -7.134 -3.575 1.00 0.00 H new ATOM 324 N GLY A 23 6.515 -8.774 -3.108 1.00 0.00 N ATOM 325 CA GLY A 23 5.387 -9.321 -2.433 1.00 0.00 C ATOM 326 C GLY A 23 4.587 -8.267 -1.709 1.00 0.00 C ATOM 327 O GLY A 23 4.822 -7.060 -1.878 1.00 0.00 O ATOM 0 H GLY A 23 6.343 -8.520 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.746 -9.829 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.723 -10.073 -1.719 1.00 0.00 H new ATOM 331 N TRP A 24 3.586 -8.727 -1.001 1.00 0.00 N ATOM 332 CA TRP A 24 2.745 -7.910 -0.160 1.00 0.00 C ATOM 333 C TRP A 24 3.545 -7.256 0.971 1.00 0.00 C ATOM 334 O TRP A 24 3.987 -7.926 1.902 1.00 0.00 O ATOM 335 CB TRP A 24 1.618 -8.766 0.440 1.00 0.00 C ATOM 336 CG TRP A 24 0.696 -9.376 -0.578 1.00 0.00 C ATOM 337 CD1 TRP A 24 0.801 -10.607 -1.164 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.467 -8.770 -1.125 1.00 0.00 C ATOM 339 NE1 TRP A 24 -0.243 -10.797 -2.045 1.00 0.00 N ATOM 340 CE2 TRP A 24 -1.034 -9.676 -2.041 1.00 0.00 C ATOM 341 CE3 TRP A 24 -1.082 -7.548 -0.932 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -2.200 -9.375 -2.757 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -2.214 -7.258 -1.635 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.763 -8.160 -2.535 1.00 0.00 C ATOM 0 H TRP A 24 3.325 -9.713 -0.993 1.00 0.00 H new ATOM 0 HA TRP A 24 2.323 -7.119 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.061 -9.564 1.036 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.032 -8.149 1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.585 -11.324 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.401 -11.633 -2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.672 -6.833 -0.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.631 -10.078 -3.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.695 -6.302 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.660 -7.889 -3.072 1.00 0.00 H new ATOM 355 N VAL A 25 3.732 -5.970 0.869 1.00 0.00 N ATOM 356 CA VAL A 25 4.402 -5.200 1.896 1.00 0.00 C ATOM 357 C VAL A 25 3.351 -4.473 2.705 1.00 0.00 C ATOM 358 O VAL A 25 2.289 -4.133 2.174 1.00 0.00 O ATOM 359 CB VAL A 25 5.462 -4.186 1.321 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.638 -4.935 0.716 1.00 0.00 C ATOM 361 CG2 VAL A 25 4.846 -3.279 0.265 1.00 0.00 C ATOM 0 H VAL A 25 3.425 -5.417 0.069 1.00 0.00 H new ATOM 0 HA VAL A 25 4.966 -5.890 2.524 1.00 0.00 H new ATOM 0 HB VAL A 25 5.808 -3.569 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.361 -4.220 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.113 -5.547 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.285 -5.575 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.604 -2.592 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.465 -3.885 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.027 -2.710 0.706 1.00 0.00 H new ATOM 371 N ARG A 26 3.606 -4.268 3.973 1.00 0.00 N ATOM 372 CA ARG A 26 2.642 -3.603 4.820 1.00 0.00 C ATOM 373 C ARG A 26 2.660 -2.116 4.527 1.00 0.00 C ATOM 374 O ARG A 26 3.726 -1.537 4.264 1.00 0.00 O ATOM 375 CB ARG A 26 2.912 -3.881 6.306 1.00 0.00 C ATOM 376 CG ARG A 26 1.853 -3.303 7.240 1.00 0.00 C ATOM 377 CD ARG A 26 2.139 -3.615 8.700 1.00 0.00 C ATOM 378 NE ARG A 26 3.349 -2.955 9.209 1.00 0.00 N ATOM 379 CZ ARG A 26 3.810 -3.054 10.467 1.00 0.00 C ATOM 380 NH1 ARG A 26 3.247 -3.918 11.330 1.00 0.00 N ATOM 381 NH2 ARG A 26 4.828 -2.312 10.856 1.00 0.00 N ATOM 0 H ARG A 26 4.467 -4.549 4.441 1.00 0.00 H new ATOM 0 HA ARG A 26 1.650 -3.998 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.971 -4.958 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.884 -3.467 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.803 -2.223 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.876 -3.703 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.285 -3.308 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.244 -4.693 8.820 1.00 0.00 H new ATOM 0 HE ARG A 26 3.880 -2.377 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.466 -4.502 11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.601 -3.989 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.265 -1.663 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.178 -2.387 11.811 1.00 0.00 H new ATOM 395 N ALA A 27 1.503 -1.519 4.509 1.00 0.00 N ATOM 396 CA ALA A 27 1.367 -0.128 4.217 1.00 0.00 C ATOM 397 C ALA A 27 0.093 0.396 4.821 1.00 0.00 C ATOM 398 O ALA A 27 -0.666 -0.347 5.426 1.00 0.00 O ATOM 399 CB ALA A 27 1.353 0.083 2.703 1.00 0.00 C ATOM 0 H ALA A 27 0.620 -1.993 4.699 1.00 0.00 H new ATOM 0 HA ALA A 27 2.211 0.413 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.249 1.146 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.285 -0.286 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.514 -0.461 2.268 1.00 0.00 H new ATOM 405 N ARG A 28 -0.129 1.659 4.681 1.00 0.00 N ATOM 406 CA ARG A 28 -1.365 2.252 5.080 1.00 0.00 C ATOM 407 C ARG A 28 -1.821 3.158 3.991 1.00 0.00 C ATOM 408 O ARG A 28 -1.002 3.848 3.366 1.00 0.00 O ATOM 409 CB ARG A 28 -1.275 3.030 6.402 1.00 0.00 C ATOM 410 CG ARG A 28 -0.276 4.174 6.413 1.00 0.00 C ATOM 411 CD ARG A 28 -0.771 5.293 7.309 1.00 0.00 C ATOM 412 NE ARG A 28 -2.012 5.894 6.757 1.00 0.00 N ATOM 413 CZ ARG A 28 -2.812 6.775 7.377 1.00 0.00 C ATOM 414 NH1 ARG A 28 -2.564 7.144 8.641 1.00 0.00 N ATOM 415 NH2 ARG A 28 -3.871 7.268 6.730 1.00 0.00 N ATOM 0 H ARG A 28 0.544 2.315 4.285 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.077 1.445 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.262 3.428 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.014 2.333 7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.692 3.818 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.129 4.548 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.962 4.907 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.001 6.058 7.404 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.282 5.610 5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.763 6.755 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.176 7.814 9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.066 6.974 5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.485 7.938 7.193 1.00 0.00 H new ATOM 429 N VAL A 29 -3.085 3.142 3.738 1.00 0.00 N ATOM 430 CA VAL A 29 -3.668 3.987 2.739 1.00 0.00 C ATOM 431 C VAL A 29 -3.609 5.418 3.219 1.00 0.00 C ATOM 432 O VAL A 29 -4.054 5.740 4.331 1.00 0.00 O ATOM 433 CB VAL A 29 -5.124 3.570 2.416 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.703 4.428 1.297 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.174 2.109 2.017 1.00 0.00 C ATOM 0 H VAL A 29 -3.753 2.539 4.219 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.101 3.886 1.814 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.724 3.720 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.726 4.114 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.699 5.475 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.098 4.310 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.203 1.828 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.554 1.951 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.801 1.495 2.837 1.00 0.00 H new ATOM 445 N ILE A 30 -2.983 6.241 2.443 1.00 0.00 N ATOM 446 CA ILE A 30 -2.876 7.635 2.756 1.00 0.00 C ATOM 447 C ILE A 30 -4.023 8.316 2.174 1.00 0.00 C ATOM 448 O ILE A 30 -4.677 9.116 2.836 1.00 0.00 O ATOM 449 CB ILE A 30 -1.551 8.270 2.239 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.324 7.553 2.830 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.494 9.773 2.551 1.00 0.00 C ATOM 452 CD1 ILE A 30 -0.216 7.632 4.342 1.00 0.00 C ATOM 0 H ILE A 30 -2.529 5.969 1.571 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.862 7.746 3.840 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.532 8.146 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.355 6.504 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.577 7.981 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.557 10.187 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.331 10.277 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.553 9.923 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.677 7.100 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.150 8.676 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.097 7.176 4.794 1.00 0.00 H new ATOM 464 N ARG A 31 -4.323 7.977 0.964 1.00 0.00 N ATOM 465 CA ARG A 31 -5.310 8.617 0.319 1.00 0.00 C ATOM 466 C ARG A 31 -5.919 7.754 -0.733 1.00 0.00 C ATOM 467 O ARG A 31 -5.319 6.783 -1.221 1.00 0.00 O ATOM 468 CB ARG A 31 -4.662 9.790 -0.248 1.00 0.00 C ATOM 469 CG ARG A 31 -4.380 9.762 -1.736 1.00 0.00 C ATOM 470 CD ARG A 31 -3.589 10.956 -2.188 1.00 0.00 C ATOM 471 NE ARG A 31 -2.239 11.017 -1.549 1.00 0.00 N ATOM 472 CZ ARG A 31 -1.575 12.140 -1.178 1.00 0.00 C ATOM 473 NH1 ARG A 31 -2.165 13.342 -1.258 1.00 0.00 N ATOM 474 NH2 ARG A 31 -0.357 12.046 -0.684 1.00 0.00 N ATOM 0 H ARG A 31 -3.861 7.239 0.433 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.137 8.884 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.286 10.658 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.717 9.942 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.833 8.852 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.323 9.726 -2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.475 10.924 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.142 11.866 -1.952 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.772 10.127 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.123 13.418 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.656 14.180 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.083 11.131 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.146 12.888 -0.404 1.00 0.00 H new ATOM 488 N VAL A 32 -7.066 8.140 -1.080 1.00 0.00 N ATOM 489 CA VAL A 32 -7.840 7.486 -2.090 1.00 0.00 C ATOM 490 C VAL A 32 -8.105 8.454 -3.241 1.00 0.00 C ATOM 491 O VAL A 32 -8.428 9.625 -3.030 1.00 0.00 O ATOM 492 CB VAL A 32 -9.188 6.925 -1.519 1.00 0.00 C ATOM 493 CG1 VAL A 32 -10.052 6.310 -2.614 1.00 0.00 C ATOM 494 CG2 VAL A 32 -8.918 5.884 -0.445 1.00 0.00 C ATOM 0 H VAL A 32 -7.531 8.949 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.268 6.634 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.730 7.766 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.977 5.933 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.286 7.068 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.512 5.489 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.864 5.505 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.345 5.061 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.351 6.338 0.368 1.00 0.00 H new ATOM 504 N LYS A 33 -7.831 7.993 -4.416 1.00 0.00 N ATOM 505 CA LYS A 33 -8.164 8.653 -5.648 1.00 0.00 C ATOM 506 C LYS A 33 -9.100 7.747 -6.370 1.00 0.00 C ATOM 507 O LYS A 33 -9.389 6.657 -5.889 1.00 0.00 O ATOM 508 CB LYS A 33 -6.922 8.837 -6.514 1.00 0.00 C ATOM 509 CG LYS A 33 -6.401 10.240 -6.608 1.00 0.00 C ATOM 510 CD LYS A 33 -5.578 10.573 -5.393 1.00 0.00 C ATOM 511 CE LYS A 33 -5.408 12.091 -5.225 1.00 0.00 C ATOM 512 NZ LYS A 33 -4.867 12.767 -6.442 1.00 0.00 N ATOM 0 H LYS A 33 -7.347 7.106 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.596 9.633 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.130 8.200 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.147 8.484 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.796 10.351 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.233 10.939 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.055 10.159 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.598 10.103 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.373 12.531 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.741 12.283 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.665 13.764 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.991 12.294 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.568 12.715 -7.209 1.00 0.00 H new ATOM 526 N SER A 34 -9.548 8.130 -7.510 1.00 0.00 N ATOM 527 CA SER A 34 -10.391 7.250 -8.205 1.00 0.00 C ATOM 528 C SER A 34 -9.671 6.722 -9.443 1.00 0.00 C ATOM 529 O SER A 34 -8.531 7.126 -9.721 1.00 0.00 O ATOM 530 CB SER A 34 -11.772 7.864 -8.497 1.00 0.00 C ATOM 531 OG SER A 34 -12.677 6.904 -9.040 1.00 0.00 O ATOM 0 H SER A 34 -9.349 9.021 -7.965 1.00 0.00 H new ATOM 0 HA SER A 34 -10.612 6.393 -7.568 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.188 8.276 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.660 8.693 -9.195 1.00 0.00 H new ATOM 0 HG SER A 34 -12.569 6.051 -8.570 1.00 0.00 H new ATOM 537 N GLY A 35 -10.312 5.815 -10.153 1.00 0.00 N ATOM 538 CA GLY A 35 -9.696 5.179 -11.289 1.00 0.00 C ATOM 539 C GLY A 35 -8.832 4.025 -10.836 1.00 0.00 C ATOM 540 O GLY A 35 -7.979 3.529 -11.586 1.00 0.00 O ATOM 0 H GLY A 35 -11.264 5.504 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.464 4.821 -11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.092 5.902 -11.837 1.00 0.00 H new ATOM 544 N GLY A 36 -9.081 3.575 -9.611 1.00 0.00 N ATOM 545 CA GLY A 36 -8.288 2.532 -9.002 1.00 0.00 C ATOM 546 C GLY A 36 -6.951 3.071 -8.559 1.00 0.00 C ATOM 547 O GLY A 36 -5.941 2.367 -8.591 1.00 0.00 O ATOM 0 H GLY A 36 -9.836 3.926 -9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.820 2.116 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.141 1.718 -9.712 1.00 0.00 H new ATOM 551 N ARG A 37 -6.951 4.318 -8.166 1.00 0.00 N ATOM 552 CA ARG A 37 -5.779 5.008 -7.797 1.00 0.00 C ATOM 553 C ARG A 37 -5.745 5.242 -6.345 1.00 0.00 C ATOM 554 O ARG A 37 -6.352 6.109 -5.807 1.00 0.00 O ATOM 555 CB ARG A 37 -5.639 6.200 -8.679 1.00 0.00 C ATOM 556 CG ARG A 37 -4.231 6.726 -8.859 1.00 0.00 C ATOM 557 CD ARG A 37 -3.685 7.314 -7.598 1.00 0.00 C ATOM 558 NE ARG A 37 -2.291 7.830 -7.733 1.00 0.00 N ATOM 559 CZ ARG A 37 -1.837 8.809 -8.552 1.00 0.00 C ATOM 560 NH1 ARG A 37 -2.650 9.402 -9.447 1.00 0.00 N ATOM 561 NH2 ARG A 37 -0.547 9.163 -8.491 1.00 0.00 N ATOM 0 H ARG A 37 -7.798 4.882 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.879 4.416 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.042 5.951 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.257 7.002 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.582 5.916 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.225 7.482 -9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.335 8.128 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.709 6.557 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.593 7.390 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.627 9.116 -9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.289 10.137 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.079 8.697 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.191 9.898 -9.101 1.00 0.00 H new ATOM 575 N VAL A 38 -5.045 4.393 -5.726 1.00 0.00 N ATOM 576 CA VAL A 38 -4.917 4.372 -4.290 1.00 0.00 C ATOM 577 C VAL A 38 -3.494 4.572 -3.884 1.00 0.00 C ATOM 578 O VAL A 38 -2.596 3.841 -4.314 1.00 0.00 O ATOM 579 CB VAL A 38 -5.498 3.094 -3.643 1.00 0.00 C ATOM 580 CG1 VAL A 38 -7.007 3.198 -3.524 1.00 0.00 C ATOM 581 CG2 VAL A 38 -5.138 1.853 -4.450 1.00 0.00 C ATOM 0 H VAL A 38 -4.517 3.657 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.515 5.203 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.061 3.002 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.399 2.290 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.265 4.057 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.442 3.322 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.561 0.971 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.541 1.945 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.054 1.754 -4.501 1.00 0.00 H new ATOM 591 N VAL A 39 -3.275 5.565 -3.079 1.00 0.00 N ATOM 592 CA VAL A 39 -1.947 5.925 -2.715 1.00 0.00 C ATOM 593 C VAL A 39 -1.706 5.502 -1.262 1.00 0.00 C ATOM 594 O VAL A 39 -2.470 5.877 -0.347 1.00 0.00 O ATOM 595 CB VAL A 39 -1.715 7.447 -2.910 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.254 7.737 -3.043 1.00 0.00 C ATOM 597 CG2 VAL A 39 -2.472 7.982 -4.121 1.00 0.00 C ATOM 0 H VAL A 39 -4.006 6.141 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.234 5.411 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.101 7.956 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.107 8.808 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.265 7.411 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.146 7.203 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.284 9.051 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.133 7.466 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.540 7.813 -3.986 1.00 0.00 H new ATOM 607 N VAL A 40 -0.681 4.711 -1.064 1.00 0.00 N ATOM 608 CA VAL A 40 -0.389 4.095 0.211 1.00 0.00 C ATOM 609 C VAL A 40 1.059 4.353 0.585 1.00 0.00 C ATOM 610 O VAL A 40 1.902 4.519 -0.284 1.00 0.00 O ATOM 611 CB VAL A 40 -0.599 2.538 0.146 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.035 2.178 -0.208 1.00 0.00 C ATOM 613 CG2 VAL A 40 0.360 1.896 -0.860 1.00 0.00 C ATOM 0 H VAL A 40 -0.013 4.471 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.065 4.525 0.950 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.384 2.146 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.140 1.094 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.708 2.584 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.286 2.599 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.194 0.819 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.181 2.314 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.389 2.097 -0.561 1.00 0.00 H new ATOM 623 N GLN A 41 1.338 4.371 1.850 1.00 0.00 N ATOM 624 CA GLN A 41 2.694 4.522 2.320 1.00 0.00 C ATOM 625 C GLN A 41 3.080 3.277 3.070 1.00 0.00 C ATOM 626 O GLN A 41 2.400 2.893 4.027 1.00 0.00 O ATOM 627 CB GLN A 41 2.836 5.733 3.230 1.00 0.00 C ATOM 628 CG GLN A 41 4.253 5.963 3.741 1.00 0.00 C ATOM 629 CD GLN A 41 4.313 6.956 4.872 1.00 0.00 C ATOM 630 OE1 GLN A 41 4.439 8.142 4.669 1.00 0.00 O ATOM 631 NE2 GLN A 41 4.248 6.459 6.083 1.00 0.00 N ATOM 0 H GLN A 41 0.641 4.282 2.590 1.00 0.00 H new ATOM 0 HA GLN A 41 3.350 4.674 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.507 6.621 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.168 5.614 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.672 5.014 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.877 6.316 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.142 5.453 6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.304 7.078 6.892 1.00 0.00 H new ATOM 640 N SER A 42 4.137 2.638 2.626 1.00 0.00 N ATOM 641 CA SER A 42 4.625 1.432 3.260 1.00 0.00 C ATOM 642 C SER A 42 5.502 1.800 4.459 1.00 0.00 C ATOM 643 O SER A 42 5.841 2.979 4.648 1.00 0.00 O ATOM 644 CB SER A 42 5.397 0.563 2.235 1.00 0.00 C ATOM 645 OG SER A 42 5.751 -0.706 2.765 1.00 0.00 O ATOM 0 H SER A 42 4.683 2.937 1.818 1.00 0.00 H new ATOM 0 HA SER A 42 3.783 0.843 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.784 0.424 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.299 1.089 1.922 1.00 0.00 H new ATOM 0 HG SER A 42 5.021 -1.041 3.327 1.00 0.00 H new ATOM 651 N ASP A 43 5.905 0.789 5.221 1.00 0.00 N ATOM 652 CA ASP A 43 6.729 0.935 6.450 1.00 0.00 C ATOM 653 C ASP A 43 8.092 1.567 6.191 1.00 0.00 C ATOM 654 O ASP A 43 8.807 1.919 7.105 1.00 0.00 O ATOM 655 CB ASP A 43 6.936 -0.414 7.151 1.00 0.00 C ATOM 656 CG ASP A 43 5.732 -0.902 7.919 1.00 0.00 C ATOM 657 OD1 ASP A 43 4.887 -1.621 7.352 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.638 -0.609 9.113 1.00 0.00 O ATOM 0 H ASP A 43 5.671 -0.181 5.011 1.00 0.00 H new ATOM 0 HA ASP A 43 6.162 1.607 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.204 -1.161 6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.780 -0.330 7.835 1.00 0.00 H new ATOM 663 N GLN A 44 8.437 1.724 4.928 1.00 0.00 N ATOM 664 CA GLN A 44 9.713 2.310 4.557 1.00 0.00 C ATOM 665 C GLN A 44 9.554 3.819 4.386 1.00 0.00 C ATOM 666 O GLN A 44 10.462 4.494 3.942 1.00 0.00 O ATOM 667 CB GLN A 44 10.310 1.698 3.253 1.00 0.00 C ATOM 668 CG GLN A 44 10.936 0.276 3.330 1.00 0.00 C ATOM 669 CD GLN A 44 9.958 -0.912 3.277 1.00 0.00 C ATOM 670 OE1 GLN A 44 10.289 -1.955 2.754 1.00 0.00 O ATOM 671 NE2 GLN A 44 8.812 -0.788 3.855 1.00 0.00 N ATOM 0 H GLN A 44 7.851 1.454 4.138 1.00 0.00 H new ATOM 0 HA GLN A 44 10.411 2.086 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.519 1.674 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.077 2.380 2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.644 0.171 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.508 0.205 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.553 0.098 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.165 -1.576 3.878 1.00 0.00 H new ATOM 680 N GLY A 45 8.364 4.318 4.711 1.00 0.00 N ATOM 681 CA GLY A 45 8.081 5.739 4.619 1.00 0.00 C ATOM 682 C GLY A 45 7.892 6.194 3.196 1.00 0.00 C ATOM 683 O GLY A 45 8.000 7.367 2.893 1.00 0.00 O ATOM 0 H GLY A 45 7.581 3.753 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.183 5.966 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.899 6.300 5.072 1.00 0.00 H new ATOM 687 N ARG A 46 7.609 5.261 2.313 1.00 0.00 N ATOM 688 CA ARG A 46 7.439 5.582 0.958 1.00 0.00 C ATOM 689 C ARG A 46 5.984 5.475 0.546 1.00 0.00 C ATOM 690 O ARG A 46 5.373 4.393 0.662 1.00 0.00 O ATOM 691 CB ARG A 46 8.314 4.682 0.100 1.00 0.00 C ATOM 692 CG ARG A 46 8.177 3.188 0.372 1.00 0.00 C ATOM 693 CD ARG A 46 8.952 2.365 -0.643 1.00 0.00 C ATOM 694 NE ARG A 46 8.472 2.623 -2.005 1.00 0.00 N ATOM 695 CZ ARG A 46 8.103 1.682 -2.894 1.00 0.00 C ATOM 696 NH1 ARG A 46 8.229 0.386 -2.610 1.00 0.00 N ATOM 697 NH2 ARG A 46 7.626 2.046 -4.066 1.00 0.00 N ATOM 0 H ARG A 46 7.496 4.272 2.536 1.00 0.00 H new ATOM 0 HA ARG A 46 7.745 6.617 0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.079 4.867 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.355 4.967 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.539 2.965 1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.124 2.907 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.013 2.604 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.849 1.305 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 46 8.413 3.597 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.609 0.096 -1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.945 -0.316 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.538 3.036 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.345 1.338 -4.744 1.00 0.00 H new ATOM 711 N GLU A 47 5.429 6.583 0.125 1.00 0.00 N ATOM 712 CA GLU A 47 4.091 6.629 -0.400 1.00 0.00 C ATOM 713 C GLU A 47 4.156 6.359 -1.913 1.00 0.00 C ATOM 714 O GLU A 47 5.036 6.884 -2.603 1.00 0.00 O ATOM 715 CB GLU A 47 3.435 8.001 -0.118 1.00 0.00 C ATOM 716 CG GLU A 47 2.029 8.092 -0.675 1.00 0.00 C ATOM 717 CD GLU A 47 1.315 9.419 -0.465 1.00 0.00 C ATOM 718 OE1 GLU A 47 1.947 10.476 -0.512 1.00 0.00 O ATOM 719 OE2 GLU A 47 0.059 9.421 -0.342 1.00 0.00 O ATOM 0 H GLU A 47 5.900 7.488 0.138 1.00 0.00 H new ATOM 0 HA GLU A 47 3.478 5.870 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.409 8.174 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.048 8.790 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.069 7.889 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.428 7.303 -0.223 1.00 0.00 H new ATOM 726 N PHE A 48 3.289 5.499 -2.403 1.00 0.00 N ATOM 727 CA PHE A 48 3.216 5.177 -3.817 1.00 0.00 C ATOM 728 C PHE A 48 1.801 4.721 -4.159 1.00 0.00 C ATOM 729 O PHE A 48 0.966 4.583 -3.272 1.00 0.00 O ATOM 730 CB PHE A 48 4.261 4.100 -4.221 1.00 0.00 C ATOM 731 CG PHE A 48 4.058 2.717 -3.632 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.430 1.726 -4.375 1.00 0.00 C ATOM 733 CD2 PHE A 48 4.511 2.404 -2.358 1.00 0.00 C ATOM 734 CE1 PHE A 48 3.260 0.458 -3.866 1.00 0.00 C ATOM 735 CE2 PHE A 48 4.338 1.132 -1.841 1.00 0.00 C ATOM 736 CZ PHE A 48 3.712 0.158 -2.601 1.00 0.00 C ATOM 0 H PHE A 48 2.609 4.999 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 48 3.455 6.075 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.261 4.013 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.249 4.455 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.069 1.953 -5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.003 3.160 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.772 -0.301 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.690 0.899 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.579 -0.836 -2.201 1.00 0.00 H new ATOM 746 N THR A 49 1.524 4.499 -5.419 1.00 0.00 N ATOM 747 CA THR A 49 0.213 4.068 -5.823 1.00 0.00 C ATOM 748 C THR A 49 0.259 2.686 -6.445 1.00 0.00 C ATOM 749 O THR A 49 1.136 2.389 -7.248 1.00 0.00 O ATOM 750 CB THR A 49 -0.446 5.068 -6.807 1.00 0.00 C ATOM 751 OG1 THR A 49 -0.552 6.357 -6.189 1.00 0.00 O ATOM 752 CG2 THR A 49 -1.822 4.582 -7.224 1.00 0.00 C ATOM 0 H THR A 49 2.191 4.610 -6.183 1.00 0.00 H new ATOM 0 HA THR A 49 -0.397 4.029 -4.921 1.00 0.00 H new ATOM 0 HB THR A 49 0.179 5.142 -7.697 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.118 6.960 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.267 5.298 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.732 3.613 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.456 4.485 -6.343 1.00 0.00 H new ATOM 760 N ALA A 50 -0.672 1.870 -6.048 1.00 0.00 N ATOM 761 CA ALA A 50 -0.848 0.561 -6.591 1.00 0.00 C ATOM 762 C ALA A 50 -2.269 0.498 -7.120 1.00 0.00 C ATOM 763 O ALA A 50 -3.030 1.465 -6.958 1.00 0.00 O ATOM 764 CB ALA A 50 -0.629 -0.485 -5.502 1.00 0.00 C ATOM 0 H ALA A 50 -1.346 2.105 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.132 0.358 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.765 -1.482 -5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.383 -0.392 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.348 -0.329 -4.698 1.00 0.00 H new ATOM 770 N ARG A 51 -2.633 -0.573 -7.767 1.00 0.00 N ATOM 771 CA ARG A 51 -3.997 -0.719 -8.225 1.00 0.00 C ATOM 772 C ARG A 51 -4.820 -1.235 -7.060 1.00 0.00 C ATOM 773 O ARG A 51 -4.271 -1.854 -6.162 1.00 0.00 O ATOM 774 CB ARG A 51 -4.087 -1.690 -9.418 1.00 0.00 C ATOM 775 CG ARG A 51 -3.252 -1.280 -10.637 1.00 0.00 C ATOM 776 CD ARG A 51 -3.711 0.047 -11.234 1.00 0.00 C ATOM 777 NE ARG A 51 -5.077 -0.032 -11.794 1.00 0.00 N ATOM 778 CZ ARG A 51 -5.909 1.017 -11.950 1.00 0.00 C ATOM 779 NH1 ARG A 51 -5.542 2.228 -11.553 1.00 0.00 N ATOM 780 NH2 ARG A 51 -7.112 0.849 -12.503 1.00 0.00 N ATOM 0 H ARG A 51 -2.016 -1.354 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.376 0.244 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.767 -2.679 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.130 -1.777 -9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.204 -1.202 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.316 -2.059 -11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.680 0.819 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.016 0.350 -12.018 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.415 -0.949 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.626 2.369 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.176 3.018 -11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.407 -0.078 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.736 1.647 -12.618 1.00 0.00 H new ATOM 794 N GLY A 52 -6.122 -1.004 -7.081 1.00 0.00 N ATOM 795 CA GLY A 52 -6.997 -1.436 -5.977 1.00 0.00 C ATOM 796 C GLY A 52 -6.980 -2.932 -5.720 1.00 0.00 C ATOM 797 O GLY A 52 -7.303 -3.380 -4.641 1.00 0.00 O ATOM 0 H GLY A 52 -6.605 -0.524 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.696 -0.919 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.019 -1.128 -6.196 1.00 0.00 H new ATOM 801 N ASN A 53 -6.571 -3.695 -6.702 1.00 0.00 N ATOM 802 CA ASN A 53 -6.506 -5.144 -6.554 1.00 0.00 C ATOM 803 C ASN A 53 -5.192 -5.551 -5.901 1.00 0.00 C ATOM 804 O ASN A 53 -5.050 -6.654 -5.397 1.00 0.00 O ATOM 805 CB ASN A 53 -6.671 -5.843 -7.908 1.00 0.00 C ATOM 806 CG ASN A 53 -8.017 -5.577 -8.582 1.00 0.00 C ATOM 807 OD1 ASN A 53 -8.093 -5.507 -9.797 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.078 -5.438 -7.806 1.00 0.00 N ATOM 0 H ASN A 53 -6.277 -3.347 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.328 -5.457 -5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.872 -5.517 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.552 -6.917 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.994 -5.267 -8.221 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.981 -5.502 -6.793 1.00 0.00 H new ATOM 815 N GLN A 54 -4.253 -4.622 -5.883 1.00 0.00 N ATOM 816 CA GLN A 54 -2.938 -4.831 -5.300 1.00 0.00 C ATOM 817 C GLN A 54 -2.944 -4.396 -3.856 1.00 0.00 C ATOM 818 O GLN A 54 -1.959 -4.575 -3.145 1.00 0.00 O ATOM 819 CB GLN A 54 -1.887 -4.003 -6.040 1.00 0.00 C ATOM 820 CG GLN A 54 -1.530 -4.477 -7.427 1.00 0.00 C ATOM 821 CD GLN A 54 -0.575 -3.515 -8.106 1.00 0.00 C ATOM 822 OE1 GLN A 54 -1.001 -2.601 -8.797 1.00 0.00 O ATOM 823 NE2 GLN A 54 0.693 -3.656 -7.856 1.00 0.00 N ATOM 0 H GLN A 54 -4.383 -3.690 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.697 -5.891 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.245 -2.976 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.978 -3.984 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.075 -5.466 -7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.436 -4.577 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.015 -4.430 -7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.365 -2.992 -8.241 1.00 0.00 H new ATOM 832 N VAL A 55 -4.041 -3.804 -3.431 1.00 0.00 N ATOM 833 CA VAL A 55 -4.144 -3.292 -2.082 1.00 0.00 C ATOM 834 C VAL A 55 -5.266 -3.950 -1.406 1.00 0.00 C ATOM 835 O VAL A 55 -6.409 -3.896 -1.859 1.00 0.00 O ATOM 836 CB VAL A 55 -4.387 -1.764 -2.021 1.00 0.00 C ATOM 837 CG1 VAL A 55 -4.314 -1.225 -0.599 1.00 0.00 C ATOM 838 CG2 VAL A 55 -3.492 -0.986 -2.972 1.00 0.00 C ATOM 0 H VAL A 55 -4.875 -3.666 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.190 -3.498 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.409 -1.608 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.491 -0.149 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.072 -1.712 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.327 -1.427 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.707 0.079 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.447 -1.167 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.678 -1.312 -3.995 1.00 0.00 H new ATOM 848 N ARG A 56 -4.955 -4.584 -0.342 1.00 0.00 N ATOM 849 CA ARG A 56 -5.900 -5.254 0.405 1.00 0.00 C ATOM 850 C ARG A 56 -5.692 -4.910 1.833 1.00 0.00 C ATOM 851 O ARG A 56 -4.548 -4.844 2.283 1.00 0.00 O ATOM 852 CB ARG A 56 -5.684 -6.722 0.241 1.00 0.00 C ATOM 853 CG ARG A 56 -5.624 -7.186 -1.198 1.00 0.00 C ATOM 854 CD ARG A 56 -6.891 -6.940 -1.999 1.00 0.00 C ATOM 855 NE ARG A 56 -8.120 -7.247 -1.252 1.00 0.00 N ATOM 856 CZ ARG A 56 -9.108 -6.339 -1.026 1.00 0.00 C ATOM 857 NH1 ARG A 56 -8.986 -5.083 -1.464 1.00 0.00 N ATOM 858 NH2 ARG A 56 -10.186 -6.680 -0.341 1.00 0.00 N ATOM 0 H ARG A 56 -4.007 -4.643 0.029 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.905 -4.979 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.754 -6.998 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.488 -7.255 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.794 -6.682 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.403 -8.253 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.917 -5.897 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.864 -7.546 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.238 -8.191 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.148 -4.799 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.731 -4.408 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.281 -7.629 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.923 -5.994 -0.175 1.00 0.00 H new ATOM 872 N LEU A 57 -6.751 -4.630 2.520 1.00 0.00 N ATOM 873 CA LEU A 57 -6.706 -4.467 3.980 1.00 0.00 C ATOM 874 C LEU A 57 -6.119 -5.724 4.657 1.00 0.00 C ATOM 875 O LEU A 57 -6.031 -6.795 4.015 1.00 0.00 O ATOM 876 CB LEU A 57 -8.089 -4.052 4.535 1.00 0.00 C ATOM 877 CG LEU A 57 -9.312 -4.818 4.005 1.00 0.00 C ATOM 878 CD1 LEU A 57 -9.386 -6.249 4.524 1.00 0.00 C ATOM 879 CD2 LEU A 57 -10.598 -4.060 4.292 1.00 0.00 C ATOM 0 H LEU A 57 -7.677 -4.504 2.111 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.028 -3.649 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.065 -4.160 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.235 -2.993 4.324 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.190 -4.890 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.270 -6.739 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.494 -6.794 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.447 -6.239 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.447 -4.625 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.709 -3.927 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.561 -3.084 3.808 1.00 0.00 H new ATOM 891 N ILE A 58 -5.676 -5.608 5.898 1.00 0.00 N ATOM 892 CA ILE A 58 -5.038 -6.737 6.559 1.00 0.00 C ATOM 893 C ILE A 58 -5.987 -7.863 6.980 1.00 0.00 C ATOM 894 O ILE A 58 -6.478 -7.915 8.097 1.00 0.00 O ATOM 895 CB ILE A 58 -4.053 -6.363 7.695 1.00 0.00 C ATOM 896 CG1 ILE A 58 -4.721 -5.495 8.776 1.00 0.00 C ATOM 897 CG2 ILE A 58 -2.813 -5.678 7.118 1.00 0.00 C ATOM 898 CD1 ILE A 58 -3.835 -5.231 9.981 1.00 0.00 C ATOM 0 H ILE A 58 -5.744 -4.760 6.461 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.426 -7.146 5.755 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.742 -7.286 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.013 -4.542 8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.636 -5.985 9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.130 -5.421 7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.314 -6.354 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.110 -4.771 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.373 -4.613 10.700 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.564 -6.178 10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.931 -4.712 9.661 1.00 0.00 H new ATOM 910 N GLU A 59 -6.263 -8.677 6.015 1.00 0.00 N ATOM 911 CA GLU A 59 -6.990 -9.908 6.118 1.00 0.00 C ATOM 912 C GLU A 59 -6.306 -10.778 5.063 1.00 0.00 C ATOM 913 O GLU A 59 -6.691 -10.726 3.856 1.00 0.00 O ATOM 914 CB GLU A 59 -8.483 -9.681 5.768 1.00 0.00 C ATOM 915 CG GLU A 59 -9.406 -10.900 5.939 1.00 0.00 C ATOM 916 CD GLU A 59 -9.628 -11.322 7.392 1.00 0.00 C ATOM 917 OE1 GLU A 59 -10.556 -10.765 8.040 1.00 0.00 O ATOM 918 OE2 GLU A 59 -8.918 -12.234 7.872 1.00 0.00 O ATOM 919 OXT GLU A 59 -5.201 -11.314 5.357 1.00 0.00 O ATOM 0 H GLU A 59 -5.965 -8.487 5.058 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.981 -10.348 7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.863 -8.871 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.546 -9.344 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.372 -10.676 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.984 -11.741 5.389 1.00 0.00 H new TER 926 GLU A 59