USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 145:sc= -0.102 (180deg=-1.21!) USER MOD Single : A 1 LYS NZ :NH3+ -145:sc= -0.0154 (180deg=-0.216) USER MOD Single : A 2 SER OG : rot 144:sc= 1.52 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -16:sc= -2! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -13.1! C(o=-13!,f=-8.8!) USER MOD Single : A 24 SER OG : rot 26:sc= 0.829 USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= -7.08! (180deg=-11.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 38 SER OG : rot 149:sc= -0.499 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -111:sc= -2.6 (180deg=-5.82!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.107 (180deg=-0.227) USER MOD Single : A 56 ASN : amide:sc= -1.96 K(o=-2,f=-0.32) USER MOD Single : A 62 SER OG : rot -128:sc= -0.0805 USER MOD Single : A 67 GLN : amide:sc= -6.34! K(o=-6.3!,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -0.383 (180deg=-1.9!) USER MOD Single : A 74 SER OG : rot 72:sc= 0.00113 USER MOD Single : A 75 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -17.790 4.774 8.139 1.00 0.00 N ATOM 2 CA MET A 0 -19.021 4.520 7.340 1.00 0.00 C ATOM 3 C MET A 0 -18.689 3.583 6.175 1.00 0.00 C ATOM 4 O MET A 0 -17.688 3.740 5.506 1.00 0.00 O ATOM 5 CB MET A 0 -19.555 5.847 6.794 1.00 0.00 C ATOM 6 CG MET A 0 -18.416 6.619 6.125 1.00 0.00 C ATOM 7 SD MET A 0 -18.009 8.075 7.122 1.00 0.00 S ATOM 8 CE MET A 0 -19.067 9.255 6.248 1.00 0.00 C ATOM 0 H1 MET A 0 -17.804 5.750 8.497 1.00 0.00 H new ATOM 0 H2 MET A 0 -17.753 4.112 8.940 1.00 0.00 H new ATOM 0 H3 MET A 0 -16.952 4.638 7.538 1.00 0.00 H new ATOM 0 HA MET A 0 -19.778 4.056 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 0 -20.354 5.662 6.076 1.00 0.00 H new ATOM 0 HB3 MET A 0 -19.984 6.439 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 0 -17.540 5.979 6.022 1.00 0.00 H new ATOM 0 HG3 MET A 0 -18.709 6.923 5.120 1.00 0.00 H new ATOM 0 HE1 MET A 0 -18.970 10.239 6.706 1.00 0.00 H new ATOM 0 HE2 MET A 0 -18.764 9.310 5.202 1.00 0.00 H new ATOM 0 HE3 MET A 0 -20.105 8.927 6.309 1.00 0.00 H new ATOM 18 N LYS A 1 -19.522 2.607 5.928 1.00 0.00 N ATOM 19 CA LYS A 1 -19.254 1.659 4.808 1.00 0.00 C ATOM 20 C LYS A 1 -19.660 2.306 3.481 1.00 0.00 C ATOM 21 O LYS A 1 -20.475 3.205 3.442 1.00 0.00 O ATOM 22 CB LYS A 1 -20.069 0.380 5.016 1.00 0.00 C ATOM 23 CG LYS A 1 -19.133 -0.773 5.380 1.00 0.00 C ATOM 24 CD LYS A 1 -19.235 -1.053 6.880 1.00 0.00 C ATOM 25 CE LYS A 1 -17.936 -0.630 7.568 1.00 0.00 C ATOM 26 NZ LYS A 1 -18.167 0.625 8.338 1.00 0.00 N ATOM 0 H LYS A 1 -20.377 2.426 6.454 1.00 0.00 H new ATOM 0 HA LYS A 1 -18.191 1.417 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -20.803 0.529 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -20.623 0.139 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.399 -1.665 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.106 -0.521 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -20.078 -0.509 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.421 -2.113 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.591 -1.420 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.153 -0.475 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.313 1.217 8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.966 1.145 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.383 0.390 9.328 1.00 0.00 H new ATOM 40 N SER A 2 -19.096 1.854 2.392 1.00 0.00 N ATOM 41 CA SER A 2 -19.450 2.443 1.070 1.00 0.00 C ATOM 42 C SER A 2 -18.585 1.796 -0.017 1.00 0.00 C ATOM 43 O SER A 2 -17.629 1.111 0.287 1.00 0.00 O ATOM 44 CB SER A 2 -19.197 3.952 1.103 1.00 0.00 C ATOM 45 OG SER A 2 -17.943 4.234 0.494 1.00 0.00 O ATOM 0 H SER A 2 -18.406 1.103 2.362 1.00 0.00 H new ATOM 0 HA SER A 2 -20.502 2.260 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.995 4.477 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.203 4.310 2.132 1.00 0.00 H new ATOM 0 HG SER A 2 -18.003 5.077 -0.003 1.00 0.00 H new ATOM 51 N PRO A 3 -18.943 2.036 -1.254 1.00 0.00 N ATOM 52 CA PRO A 3 -18.202 1.483 -2.401 1.00 0.00 C ATOM 53 C PRO A 3 -16.737 1.911 -2.315 1.00 0.00 C ATOM 54 O PRO A 3 -15.844 1.200 -2.732 1.00 0.00 O ATOM 55 CB PRO A 3 -18.882 2.089 -3.636 1.00 0.00 C ATOM 56 CG PRO A 3 -20.087 2.933 -3.142 1.00 0.00 C ATOM 57 CD PRO A 3 -20.102 2.874 -1.606 1.00 0.00 C ATOM 0 HA PRO A 3 -18.215 0.394 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -18.181 2.711 -4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -19.217 1.303 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.997 3.964 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.020 2.542 -3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -20.018 3.870 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -21.031 2.441 -1.235 1.00 0.00 H new ATOM 65 N GLU A 4 -16.489 3.062 -1.756 1.00 0.00 N ATOM 66 CA GLU A 4 -15.091 3.552 -1.602 1.00 0.00 C ATOM 67 C GLU A 4 -14.475 2.924 -0.354 1.00 0.00 C ATOM 68 O GLU A 4 -13.763 3.566 0.390 1.00 0.00 O ATOM 69 CB GLU A 4 -15.106 5.075 -1.481 1.00 0.00 C ATOM 70 CG GLU A 4 -15.862 5.670 -2.672 1.00 0.00 C ATOM 71 CD GLU A 4 -17.234 6.169 -2.211 1.00 0.00 C ATOM 72 OE1 GLU A 4 -17.391 6.402 -1.024 1.00 0.00 O ATOM 73 OE2 GLU A 4 -18.103 6.311 -3.056 1.00 0.00 O ATOM 0 H GLU A 4 -17.205 3.692 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.495 3.271 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.583 5.372 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.086 5.459 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.291 6.492 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.980 4.919 -3.453 1.00 0.00 H new ATOM 80 N GLU A 5 -14.720 1.661 -0.129 1.00 0.00 N ATOM 81 CA GLU A 5 -14.139 0.991 1.048 1.00 0.00 C ATOM 82 C GLU A 5 -12.615 0.888 0.872 1.00 0.00 C ATOM 83 O GLU A 5 -11.919 0.377 1.726 1.00 0.00 O ATOM 84 CB GLU A 5 -14.773 -0.400 1.166 1.00 0.00 C ATOM 85 CG GLU A 5 -13.821 -1.353 1.877 1.00 0.00 C ATOM 86 CD GLU A 5 -14.601 -2.551 2.424 1.00 0.00 C ATOM 87 OE1 GLU A 5 -15.761 -2.690 2.072 1.00 0.00 O ATOM 88 OE2 GLU A 5 -14.025 -3.308 3.188 1.00 0.00 O ATOM 0 H GLU A 5 -15.303 1.069 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.339 1.557 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.712 -0.334 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.011 -0.785 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.050 -1.694 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.314 -0.835 2.691 1.00 0.00 H new ATOM 95 N LEU A 6 -12.085 1.403 -0.210 1.00 0.00 N ATOM 96 CA LEU A 6 -10.603 1.362 -0.395 1.00 0.00 C ATOM 97 C LEU A 6 -10.045 2.513 0.410 1.00 0.00 C ATOM 98 O LEU A 6 -9.008 2.429 1.039 1.00 0.00 O ATOM 99 CB LEU A 6 -10.197 1.498 -1.876 1.00 0.00 C ATOM 100 CG LEU A 6 -11.383 1.942 -2.746 1.00 0.00 C ATOM 101 CD1 LEU A 6 -11.777 3.382 -2.409 1.00 0.00 C ATOM 102 CD2 LEU A 6 -10.979 1.869 -4.221 1.00 0.00 C ATOM 0 H LEU A 6 -12.609 1.845 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.210 0.402 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.387 2.221 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.815 0.544 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.230 1.284 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.618 3.684 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.062 3.445 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.931 4.044 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.817 2.183 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.128 2.527 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.704 0.845 -4.473 1.00 0.00 H new ATOM 114 N LYS A 7 -10.772 3.578 0.410 1.00 0.00 N ATOM 115 CA LYS A 7 -10.398 4.770 1.169 1.00 0.00 C ATOM 116 C LYS A 7 -10.622 4.545 2.677 1.00 0.00 C ATOM 117 O LYS A 7 -10.177 5.319 3.500 1.00 0.00 O ATOM 118 CB LYS A 7 -11.302 5.865 0.616 1.00 0.00 C ATOM 119 CG LYS A 7 -11.949 6.667 1.741 1.00 0.00 C ATOM 120 CD LYS A 7 -13.134 5.837 2.255 1.00 0.00 C ATOM 121 CE LYS A 7 -14.288 5.920 1.259 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.143 7.101 1.574 1.00 0.00 N ATOM 0 H LYS A 7 -11.646 3.668 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.344 5.027 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.722 6.532 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.076 5.420 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.234 6.856 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.286 7.638 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.832 4.799 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.454 6.206 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.899 6.001 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.883 5.007 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.927 7.153 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.526 7.006 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.573 7.969 1.512 1.00 0.00 H new ATOM 136 N GLY A 8 -11.333 3.512 3.040 1.00 0.00 N ATOM 137 CA GLY A 8 -11.607 3.274 4.483 1.00 0.00 C ATOM 138 C GLY A 8 -10.464 2.482 5.100 1.00 0.00 C ATOM 139 O GLY A 8 -10.442 2.231 6.289 1.00 0.00 O ATOM 0 H GLY A 8 -11.734 2.826 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.724 4.225 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.544 2.729 4.600 1.00 0.00 H new ATOM 143 N ILE A 9 -9.509 2.084 4.311 1.00 0.00 N ATOM 144 CA ILE A 9 -8.378 1.313 4.876 1.00 0.00 C ATOM 145 C ILE A 9 -7.078 2.087 4.672 1.00 0.00 C ATOM 146 O ILE A 9 -6.404 2.432 5.612 1.00 0.00 O ATOM 147 CB ILE A 9 -8.330 -0.077 4.230 1.00 0.00 C ATOM 148 CG1 ILE A 9 -7.944 -0.031 2.752 1.00 0.00 C ATOM 149 CG2 ILE A 9 -9.713 -0.717 4.349 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.416 -0.063 2.636 1.00 0.00 C ATOM 0 H ILE A 9 -9.465 2.259 3.307 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.514 1.174 5.948 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.567 -0.655 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.380 -0.878 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.338 0.873 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.696 -1.707 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.984 -0.806 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.447 -0.095 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.130 -0.031 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.994 0.798 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.036 -0.980 3.087 1.00 0.00 H new ATOM 162 N PHE A 10 -6.742 2.385 3.460 1.00 0.00 N ATOM 163 CA PHE A 10 -5.504 3.166 3.180 1.00 0.00 C ATOM 164 C PHE A 10 -5.407 4.311 4.177 1.00 0.00 C ATOM 165 O PHE A 10 -4.529 4.371 5.012 1.00 0.00 O ATOM 166 CB PHE A 10 -5.616 3.771 1.790 1.00 0.00 C ATOM 167 CG PHE A 10 -4.338 4.502 1.450 1.00 0.00 C ATOM 168 CD1 PHE A 10 -4.125 5.799 1.935 1.00 0.00 C ATOM 169 CD2 PHE A 10 -3.366 3.885 0.654 1.00 0.00 C ATOM 170 CE1 PHE A 10 -2.941 6.478 1.623 1.00 0.00 C ATOM 171 CE2 PHE A 10 -2.182 4.566 0.342 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.970 5.862 0.827 1.00 0.00 C ATOM 0 H PHE A 10 -7.276 2.120 2.633 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.632 2.516 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.805 2.988 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.462 4.458 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.874 6.275 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.529 2.885 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.777 7.478 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.432 4.091 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.057 6.386 0.587 1.00 0.00 H new ATOM 182 N GLU A 11 -6.318 5.229 4.063 1.00 0.00 N ATOM 183 CA GLU A 11 -6.329 6.414 4.966 1.00 0.00 C ATOM 184 C GLU A 11 -5.982 5.998 6.401 1.00 0.00 C ATOM 185 O GLU A 11 -5.186 6.638 7.057 1.00 0.00 O ATOM 186 CB GLU A 11 -7.718 7.059 4.943 1.00 0.00 C ATOM 187 CG GLU A 11 -7.786 8.163 6.002 1.00 0.00 C ATOM 188 CD GLU A 11 -9.040 7.976 6.860 1.00 0.00 C ATOM 189 OE1 GLU A 11 -10.054 7.573 6.317 1.00 0.00 O ATOM 190 OE2 GLU A 11 -8.962 8.244 8.049 1.00 0.00 O ATOM 0 H GLU A 11 -7.069 5.211 3.373 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.583 7.129 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.922 7.474 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.483 6.307 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.896 8.133 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.805 9.141 5.521 1.00 0.00 H new ATOM 197 N LYS A 12 -6.576 4.946 6.903 1.00 0.00 N ATOM 198 CA LYS A 12 -6.263 4.523 8.301 1.00 0.00 C ATOM 199 C LYS A 12 -4.782 4.135 8.388 1.00 0.00 C ATOM 200 O LYS A 12 -4.094 4.472 9.332 1.00 0.00 O ATOM 201 CB LYS A 12 -7.173 3.339 8.702 1.00 0.00 C ATOM 202 CG LYS A 12 -6.418 1.998 8.642 1.00 0.00 C ATOM 203 CD LYS A 12 -5.432 1.905 9.813 1.00 0.00 C ATOM 204 CE LYS A 12 -5.919 0.852 10.812 1.00 0.00 C ATOM 205 NZ LYS A 12 -6.829 1.493 11.804 1.00 0.00 N ATOM 0 H LYS A 12 -7.257 4.367 6.412 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.450 5.344 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.554 3.498 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.036 3.301 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.125 1.170 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.883 1.913 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.440 1.642 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.343 2.874 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.441 0.051 10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.069 0.398 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.161 0.779 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.317 2.242 12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.646 1.906 11.310 1.00 0.00 H new ATOM 219 N TYR A 13 -4.294 3.425 7.407 1.00 0.00 N ATOM 220 CA TYR A 13 -2.867 3.004 7.418 1.00 0.00 C ATOM 221 C TYR A 13 -1.971 4.219 7.228 1.00 0.00 C ATOM 222 O TYR A 13 -0.762 4.130 7.288 1.00 0.00 O ATOM 223 CB TYR A 13 -2.630 1.977 6.317 1.00 0.00 C ATOM 224 CG TYR A 13 -3.072 0.649 6.857 1.00 0.00 C ATOM 225 CD1 TYR A 13 -4.419 0.288 6.794 1.00 0.00 C ATOM 226 CD2 TYR A 13 -2.144 -0.201 7.463 1.00 0.00 C ATOM 227 CE1 TYR A 13 -4.841 -0.928 7.330 1.00 0.00 C ATOM 228 CE2 TYR A 13 -2.564 -1.414 8.008 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.914 -1.782 7.941 1.00 0.00 C ATOM 230 OH TYR A 13 -4.331 -2.978 8.485 1.00 0.00 O ATOM 0 H TYR A 13 -4.828 3.117 6.594 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.626 2.546 8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.193 2.236 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.577 1.948 6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.134 0.951 6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.102 0.081 7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.882 -1.211 7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.848 -2.070 8.482 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.305 -2.966 8.593 1.00 0.00 H new ATOM 240 N ASP A 15 -2.563 5.364 7.051 1.00 0.00 N ATOM 241 CA ASP A 15 -1.788 6.603 6.921 1.00 0.00 C ATOM 242 C ASP A 15 -1.568 7.115 8.341 1.00 0.00 C ATOM 243 O ASP A 15 -1.848 8.253 8.658 1.00 0.00 O ATOM 244 CB ASP A 15 -2.613 7.610 6.124 1.00 0.00 C ATOM 245 CG ASP A 15 -1.706 8.377 5.160 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.545 8.018 5.056 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.188 9.312 4.542 1.00 0.00 O ATOM 0 H ASP A 15 -3.574 5.485 6.991 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.838 6.448 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.396 7.094 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.109 8.305 6.802 1.00 0.00 H new ATOM 252 N LYS A 16 -1.094 6.252 9.206 1.00 0.00 N ATOM 253 CA LYS A 16 -0.874 6.635 10.622 1.00 0.00 C ATOM 254 C LYS A 16 0.414 7.460 10.711 1.00 0.00 C ATOM 255 O LYS A 16 1.447 6.984 11.138 1.00 0.00 O ATOM 256 CB LYS A 16 -0.731 5.367 11.490 1.00 0.00 C ATOM 257 CG LYS A 16 -1.632 4.224 10.968 1.00 0.00 C ATOM 258 CD LYS A 16 -1.315 2.942 11.741 1.00 0.00 C ATOM 259 CE LYS A 16 -1.961 3.000 13.126 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.363 1.945 13.994 1.00 0.00 N ATOM 0 H LYS A 16 -0.849 5.288 8.981 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.721 7.219 10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.309 5.041 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.995 5.598 12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.682 4.487 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.465 4.071 9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.685 2.075 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.236 2.822 11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.807 3.983 13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.038 2.852 13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.800 1.982 14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.532 1.010 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.339 2.106 14.081 1.00 0.00 H new ATOM 274 N GLU A 17 0.351 8.699 10.302 1.00 0.00 N ATOM 275 CA GLU A 17 1.554 9.578 10.343 1.00 0.00 C ATOM 276 C GLU A 17 1.152 10.998 9.934 1.00 0.00 C ATOM 277 O GLU A 17 1.267 11.932 10.703 1.00 0.00 O ATOM 278 CB GLU A 17 2.605 9.048 9.374 1.00 0.00 C ATOM 279 CG GLU A 17 3.995 9.388 9.911 1.00 0.00 C ATOM 280 CD GLU A 17 4.440 8.315 10.906 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.042 8.399 12.056 1.00 0.00 O ATOM 282 OE2 GLU A 17 5.174 7.428 10.501 1.00 0.00 O ATOM 0 H GLU A 17 -0.492 9.143 9.938 1.00 0.00 H new ATOM 0 HA GLU A 17 1.966 9.589 11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.500 7.969 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.464 9.490 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.707 9.453 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.979 10.364 10.397 1.00 0.00 H new ATOM 289 N GLY A 18 0.673 11.168 8.730 1.00 0.00 N ATOM 290 CA GLY A 18 0.258 12.520 8.276 1.00 0.00 C ATOM 291 C GLY A 18 1.075 12.945 7.051 1.00 0.00 C ATOM 292 O GLY A 18 1.637 14.020 7.016 1.00 0.00 O ATOM 0 H GLY A 18 0.552 10.424 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.804 12.518 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.397 13.240 9.082 1.00 0.00 H new ATOM 296 N ASP A 19 1.148 12.115 6.043 1.00 0.00 N ATOM 297 CA ASP A 19 1.932 12.498 4.832 1.00 0.00 C ATOM 298 C ASP A 19 1.056 12.389 3.575 1.00 0.00 C ATOM 299 O ASP A 19 1.501 12.660 2.479 1.00 0.00 O ATOM 300 CB ASP A 19 3.151 11.580 4.694 1.00 0.00 C ATOM 301 CG ASP A 19 4.429 12.411 4.830 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.841 12.993 3.840 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.972 12.452 5.921 1.00 0.00 O ATOM 0 H ASP A 19 0.704 11.198 6.006 1.00 0.00 H new ATOM 0 HA ASP A 19 2.266 13.530 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.125 10.804 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.133 11.075 3.728 1.00 0.00 H new ATOM 308 N GLY A 20 -0.185 11.992 3.720 1.00 0.00 N ATOM 309 CA GLY A 20 -1.078 11.865 2.531 1.00 0.00 C ATOM 310 C GLY A 20 -0.915 10.470 1.925 1.00 0.00 C ATOM 311 O GLY A 20 -1.857 9.870 1.448 1.00 0.00 O ATOM 0 H GLY A 20 -0.616 11.751 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.116 12.029 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.830 12.627 1.792 1.00 0.00 H new ATOM 315 N GLN A 22 0.281 9.960 1.940 1.00 0.00 N ATOM 316 CA GLN A 22 0.545 8.619 1.373 1.00 0.00 C ATOM 317 C GLN A 22 1.301 7.782 2.408 1.00 0.00 C ATOM 318 O GLN A 22 1.408 8.162 3.557 1.00 0.00 O ATOM 319 CB GLN A 22 1.362 8.796 0.083 1.00 0.00 C ATOM 320 CG GLN A 22 2.525 9.754 0.344 1.00 0.00 C ATOM 321 CD GLN A 22 3.585 9.061 1.199 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.154 9.666 2.086 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.880 7.811 0.972 1.00 0.00 N ATOM 0 H GLN A 22 1.100 10.427 2.329 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.382 8.099 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.740 7.832 -0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.727 9.186 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.961 10.077 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.164 10.649 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.403 7.302 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.587 7.343 1.539 1.00 0.00 H new ATOM 332 N LEU A 23 1.791 6.630 2.037 1.00 0.00 N ATOM 333 CA LEU A 23 2.485 5.777 3.027 1.00 0.00 C ATOM 334 C LEU A 23 3.916 5.486 2.642 1.00 0.00 C ATOM 335 O LEU A 23 4.191 5.060 1.541 1.00 0.00 O ATOM 336 CB LEU A 23 1.867 4.390 3.045 1.00 0.00 C ATOM 337 CG LEU A 23 0.359 4.404 3.153 1.00 0.00 C ATOM 338 CD1 LEU A 23 -0.130 3.110 2.506 1.00 0.00 C ATOM 339 CD2 LEU A 23 -0.035 4.404 4.632 1.00 0.00 C ATOM 0 H LEU A 23 1.738 6.249 1.092 1.00 0.00 H new ATOM 0 HA LEU A 23 2.411 6.323 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.154 3.861 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.278 3.828 3.884 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.071 5.282 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.218 3.067 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.187 3.082 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.292 2.256 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.121 4.414 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.359 3.509 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.376 5.289 5.118 1.00 0.00 H new ATOM 351 N SER A 24 4.798 5.534 3.585 1.00 0.00 N ATOM 352 CA SER A 24 6.157 5.060 3.293 1.00 0.00 C ATOM 353 C SER A 24 5.955 3.554 3.402 1.00 0.00 C ATOM 354 O SER A 24 4.943 3.140 3.931 1.00 0.00 O ATOM 355 CB SER A 24 7.138 5.556 4.357 1.00 0.00 C ATOM 356 OG SER A 24 6.516 5.486 5.634 1.00 0.00 O ATOM 0 H SER A 24 4.638 5.877 4.532 1.00 0.00 H new ATOM 0 HA SER A 24 6.568 5.397 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.043 4.949 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.439 6.581 4.142 1.00 0.00 H new ATOM 0 HG SER A 24 5.827 4.790 5.624 1.00 0.00 H new ATOM 362 N LYS A 25 6.803 2.701 2.928 1.00 0.00 N ATOM 363 CA LYS A 25 6.439 1.265 3.096 1.00 0.00 C ATOM 364 C LYS A 25 6.225 0.943 4.576 1.00 0.00 C ATOM 365 O LYS A 25 5.668 -0.081 4.917 1.00 0.00 O ATOM 366 CB LYS A 25 7.480 0.325 2.490 1.00 0.00 C ATOM 367 CG LYS A 25 6.908 -0.240 1.201 1.00 0.00 C ATOM 368 CD LYS A 25 6.547 -1.712 1.405 1.00 0.00 C ATOM 369 CE LYS A 25 5.248 -2.024 0.657 1.00 0.00 C ATOM 370 NZ LYS A 25 4.587 -3.206 1.279 1.00 0.00 N ATOM 0 H LYS A 25 7.684 2.908 2.457 1.00 0.00 H new ATOM 0 HA LYS A 25 5.508 1.102 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.408 0.861 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.718 -0.479 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.024 0.325 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.634 -0.141 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.352 -2.350 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.428 -1.925 2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.581 -1.162 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.460 -2.224 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.090 -3.751 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.305 -3.807 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.904 -2.885 1.995 1.00 0.00 H new ATOM 384 N GLU A 26 6.637 1.804 5.463 1.00 0.00 N ATOM 385 CA GLU A 26 6.420 1.521 6.907 1.00 0.00 C ATOM 386 C GLU A 26 4.916 1.343 7.161 1.00 0.00 C ATOM 387 O GLU A 26 4.513 0.524 7.956 1.00 0.00 O ATOM 388 CB GLU A 26 6.951 2.684 7.748 1.00 0.00 C ATOM 389 CG GLU A 26 6.651 2.421 9.225 1.00 0.00 C ATOM 390 CD GLU A 26 7.198 1.047 9.624 1.00 0.00 C ATOM 391 OE1 GLU A 26 8.187 0.633 9.042 1.00 0.00 O ATOM 392 OE2 GLU A 26 6.616 0.434 10.503 1.00 0.00 O ATOM 0 H GLU A 26 7.110 2.683 5.253 1.00 0.00 H new ATOM 0 HA GLU A 26 6.951 0.611 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.025 2.795 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.486 3.618 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.104 3.197 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.576 2.461 9.401 1.00 0.00 H new ATOM 399 N GLU A 27 4.092 2.110 6.493 1.00 0.00 N ATOM 400 CA GLU A 27 2.611 2.001 6.686 1.00 0.00 C ATOM 401 C GLU A 27 1.993 1.016 5.668 1.00 0.00 C ATOM 402 O GLU A 27 0.925 0.483 5.893 1.00 0.00 O ATOM 403 CB GLU A 27 1.990 3.384 6.512 1.00 0.00 C ATOM 404 CG GLU A 27 2.326 4.258 7.723 1.00 0.00 C ATOM 405 CD GLU A 27 3.448 5.232 7.354 1.00 0.00 C ATOM 406 OE1 GLU A 27 4.290 4.859 6.553 1.00 0.00 O ATOM 407 OE2 GLU A 27 3.448 6.333 7.880 1.00 0.00 O ATOM 0 H GLU A 27 4.384 2.814 5.815 1.00 0.00 H new ATOM 0 HA GLU A 27 2.409 1.621 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.365 3.849 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.909 3.297 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.442 4.809 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.633 3.633 8.562 1.00 0.00 H new ATOM 414 N LEU A 28 2.646 0.769 4.555 1.00 0.00 N ATOM 415 CA LEU A 28 2.077 -0.180 3.535 1.00 0.00 C ATOM 416 C LEU A 28 2.367 -1.633 3.937 1.00 0.00 C ATOM 417 O LEU A 28 1.466 -2.434 4.090 1.00 0.00 O ATOM 418 CB LEU A 28 2.709 0.106 2.166 1.00 0.00 C ATOM 419 CG LEU A 28 1.803 -0.396 1.035 1.00 0.00 C ATOM 420 CD1 LEU A 28 2.036 0.455 -0.218 1.00 0.00 C ATOM 421 CD2 LEU A 28 2.141 -1.853 0.707 1.00 0.00 C ATOM 0 H LEU A 28 3.546 1.181 4.307 1.00 0.00 H new ATOM 0 HA LEU A 28 0.998 -0.037 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.878 1.177 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.683 -0.379 2.101 1.00 0.00 H new ATOM 0 HG LEU A 28 0.763 -0.322 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.393 0.100 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.802 1.497 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.079 0.374 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.494 -2.204 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.182 -1.923 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.987 -2.470 1.592 1.00 0.00 H new ATOM 433 N LYS A 29 3.615 -1.990 4.095 1.00 0.00 N ATOM 434 CA LYS A 29 3.948 -3.395 4.474 1.00 0.00 C ATOM 435 C LYS A 29 3.060 -3.848 5.635 1.00 0.00 C ATOM 436 O LYS A 29 2.784 -5.020 5.796 1.00 0.00 O ATOM 437 CB LYS A 29 5.417 -3.471 4.894 1.00 0.00 C ATOM 438 CG LYS A 29 5.756 -4.897 5.331 1.00 0.00 C ATOM 439 CD LYS A 29 6.956 -5.404 4.529 1.00 0.00 C ATOM 440 CE LYS A 29 8.150 -5.604 5.464 1.00 0.00 C ATOM 441 NZ LYS A 29 8.938 -6.787 5.019 1.00 0.00 N ATOM 0 H LYS A 29 4.417 -1.370 3.978 1.00 0.00 H new ATOM 0 HA LYS A 29 3.776 -4.048 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.058 -3.173 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.608 -2.775 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.982 -4.918 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.898 -5.551 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.706 -6.343 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.210 -4.690 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.779 -4.714 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.804 -5.749 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.750 -6.923 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.335 -7.634 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.280 -6.631 4.049 1.00 0.00 H new ATOM 455 N LEU A 30 2.602 -2.932 6.440 1.00 0.00 N ATOM 456 CA LEU A 30 1.723 -3.321 7.582 1.00 0.00 C ATOM 457 C LEU A 30 0.336 -3.637 7.037 1.00 0.00 C ATOM 458 O LEU A 30 -0.302 -4.590 7.435 1.00 0.00 O ATOM 459 CB LEU A 30 1.615 -2.168 8.583 1.00 0.00 C ATOM 460 CG LEU A 30 2.915 -1.369 8.600 1.00 0.00 C ATOM 461 CD1 LEU A 30 2.830 -0.296 9.686 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.083 -2.308 8.903 1.00 0.00 C ATOM 0 H LEU A 30 2.796 -1.934 6.359 1.00 0.00 H new ATOM 0 HA LEU A 30 2.145 -4.190 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.782 -1.518 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.405 -2.558 9.579 1.00 0.00 H new ATOM 0 HG LEU A 30 3.070 -0.897 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.756 0.278 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.994 0.370 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.680 -0.771 10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.013 -1.740 8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.931 -2.776 9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.139 -3.079 8.134 1.00 0.00 H new ATOM 474 N LEU A 31 -0.130 -2.838 6.124 1.00 0.00 N ATOM 475 CA LEU A 31 -1.472 -3.074 5.532 1.00 0.00 C ATOM 476 C LEU A 31 -1.532 -4.486 4.949 1.00 0.00 C ATOM 477 O LEU A 31 -2.335 -5.301 5.354 1.00 0.00 O ATOM 478 CB LEU A 31 -1.709 -2.054 4.416 1.00 0.00 C ATOM 479 CG LEU A 31 -3.156 -1.568 4.461 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.299 -0.297 3.623 1.00 0.00 C ATOM 481 CD2 LEU A 31 -4.071 -2.655 3.896 1.00 0.00 C ATOM 0 H LEU A 31 0.365 -2.024 5.759 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.238 -2.968 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.028 -1.210 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.497 -2.505 3.447 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.434 -1.352 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.333 0.047 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.645 0.478 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.021 -0.509 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.105 -2.312 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.789 -2.868 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.972 -3.561 4.494 1.00 0.00 H new ATOM 493 N LEU A 32 -0.688 -4.771 3.996 1.00 0.00 N ATOM 494 CA LEU A 32 -0.682 -6.112 3.357 1.00 0.00 C ATOM 495 C LEU A 32 -0.623 -7.226 4.413 1.00 0.00 C ATOM 496 O LEU A 32 -1.426 -8.137 4.417 1.00 0.00 O ATOM 497 CB LEU A 32 0.550 -6.229 2.453 1.00 0.00 C ATOM 498 CG LEU A 32 0.909 -4.878 1.822 1.00 0.00 C ATOM 499 CD1 LEU A 32 1.893 -5.108 0.673 1.00 0.00 C ATOM 500 CD2 LEU A 32 -0.357 -4.210 1.277 1.00 0.00 C ATOM 0 H LEU A 32 0.007 -4.120 3.630 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.600 -6.223 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.396 -6.598 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.359 -6.960 1.668 1.00 0.00 H new ATOM 0 HG LEU A 32 1.361 -4.233 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.153 -4.151 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.795 -5.585 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.433 -5.752 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.098 -3.250 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.811 -4.852 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.064 -4.052 2.091 1.00 0.00 H new ATOM 512 N GLN A 33 0.349 -7.180 5.281 1.00 0.00 N ATOM 513 CA GLN A 33 0.502 -8.253 6.312 1.00 0.00 C ATOM 514 C GLN A 33 -0.748 -8.387 7.188 1.00 0.00 C ATOM 515 O GLN A 33 -1.075 -9.466 7.644 1.00 0.00 O ATOM 516 CB GLN A 33 1.697 -7.919 7.205 1.00 0.00 C ATOM 517 CG GLN A 33 1.423 -6.623 7.967 1.00 0.00 C ATOM 518 CD GLN A 33 2.463 -6.454 9.077 1.00 0.00 C ATOM 519 OE1 GLN A 33 3.474 -5.809 8.883 1.00 0.00 O ATOM 520 NE2 GLN A 33 2.257 -7.013 10.237 1.00 0.00 N ATOM 0 H GLN A 33 1.051 -6.441 5.323 1.00 0.00 H new ATOM 0 HA GLN A 33 0.654 -9.199 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.878 -8.733 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.597 -7.813 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.461 -5.773 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.420 -6.645 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.408 -7.554 10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.945 -6.909 10.983 1.00 0.00 H new ATOM 529 N THR A 34 -1.434 -7.315 7.458 1.00 0.00 N ATOM 530 CA THR A 34 -2.635 -7.415 8.340 1.00 0.00 C ATOM 531 C THR A 34 -3.913 -7.083 7.565 1.00 0.00 C ATOM 532 O THR A 34 -4.942 -6.814 8.152 1.00 0.00 O ATOM 533 CB THR A 34 -2.481 -6.438 9.509 1.00 0.00 C ATOM 534 OG1 THR A 34 -1.152 -6.509 10.009 1.00 0.00 O ATOM 535 CG2 THR A 34 -3.468 -6.804 10.619 1.00 0.00 C ATOM 0 H THR A 34 -1.221 -6.380 7.112 1.00 0.00 H new ATOM 0 HA THR A 34 -2.713 -8.437 8.710 1.00 0.00 H new ATOM 0 HB THR A 34 -2.688 -5.424 9.166 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.050 -5.883 10.756 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.356 -6.107 11.450 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.486 -6.749 10.233 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.266 -7.817 10.966 1.00 0.00 H new ATOM 543 N GLU A 35 -3.871 -7.106 6.261 1.00 0.00 N ATOM 544 CA GLU A 35 -5.106 -6.794 5.485 1.00 0.00 C ATOM 545 C GLU A 35 -4.952 -7.264 4.038 1.00 0.00 C ATOM 546 O GLU A 35 -5.758 -8.018 3.532 1.00 0.00 O ATOM 547 CB GLU A 35 -5.354 -5.283 5.497 1.00 0.00 C ATOM 548 CG GLU A 35 -5.964 -4.874 6.837 1.00 0.00 C ATOM 549 CD GLU A 35 -6.897 -3.679 6.631 1.00 0.00 C ATOM 550 OE1 GLU A 35 -7.202 -3.382 5.487 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.290 -3.082 7.619 1.00 0.00 O ATOM 0 H GLU A 35 -3.045 -7.325 5.704 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.949 -7.311 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.418 -4.749 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.024 -5.008 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.516 -5.710 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.175 -4.615 7.544 1.00 0.00 H new ATOM 558 N PHE A 36 -3.933 -6.810 3.361 1.00 0.00 N ATOM 559 CA PHE A 36 -3.741 -7.212 1.940 1.00 0.00 C ATOM 560 C PHE A 36 -2.504 -8.114 1.799 1.00 0.00 C ATOM 561 O PHE A 36 -1.529 -7.721 1.192 1.00 0.00 O ATOM 562 CB PHE A 36 -3.533 -5.947 1.098 1.00 0.00 C ATOM 563 CG PHE A 36 -4.701 -4.999 1.261 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.901 -5.433 1.842 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.572 -3.669 0.842 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.967 -4.538 2.001 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.636 -2.776 1.003 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.833 -3.210 1.584 1.00 0.00 C ATOM 0 H PHE A 36 -3.224 -6.177 3.732 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.619 -7.762 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.611 -5.451 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.421 -6.217 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.004 -6.458 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.649 -3.332 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.892 -4.874 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.534 -1.751 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.653 -2.519 1.710 1.00 0.00 H new ATOM 578 N PRO A 37 -2.579 -9.295 2.358 1.00 0.00 N ATOM 579 CA PRO A 37 -1.466 -10.276 2.302 1.00 0.00 C ATOM 580 C PRO A 37 -1.282 -10.826 0.886 1.00 0.00 C ATOM 581 O PRO A 37 -0.192 -11.161 0.480 1.00 0.00 O ATOM 582 CB PRO A 37 -1.939 -11.419 3.197 1.00 0.00 C ATOM 583 CG PRO A 37 -3.470 -11.270 3.294 1.00 0.00 C ATOM 584 CD PRO A 37 -3.766 -9.775 3.094 1.00 0.00 C ATOM 0 HA PRO A 37 -0.521 -9.826 2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.666 -12.386 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.477 -11.361 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.969 -11.871 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.834 -11.613 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.683 -9.618 2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.887 -9.257 4.045 1.00 0.00 H new ATOM 592 N SER A 38 -2.353 -10.973 0.162 1.00 0.00 N ATOM 593 CA SER A 38 -2.276 -11.557 -1.194 1.00 0.00 C ATOM 594 C SER A 38 -1.017 -11.076 -1.919 1.00 0.00 C ATOM 595 O SER A 38 -0.269 -11.863 -2.465 1.00 0.00 O ATOM 596 CB SER A 38 -3.512 -11.146 -1.992 1.00 0.00 C ATOM 597 OG SER A 38 -3.669 -9.736 -1.919 1.00 0.00 O ATOM 0 H SER A 38 -3.291 -10.708 0.461 1.00 0.00 H new ATOM 0 HA SER A 38 -2.233 -12.643 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.409 -11.459 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.397 -11.643 -1.596 1.00 0.00 H new ATOM 0 HG SER A 38 -4.090 -9.411 -2.742 1.00 0.00 H new ATOM 603 N LEU A 39 -0.772 -9.796 -1.934 1.00 0.00 N ATOM 604 CA LEU A 39 0.448 -9.291 -2.628 1.00 0.00 C ATOM 605 C LEU A 39 1.662 -9.479 -1.714 1.00 0.00 C ATOM 606 O LEU A 39 2.763 -9.722 -2.169 1.00 0.00 O ATOM 607 CB LEU A 39 0.279 -7.809 -2.975 1.00 0.00 C ATOM 608 CG LEU A 39 -0.297 -7.056 -1.778 1.00 0.00 C ATOM 609 CD1 LEU A 39 0.363 -5.681 -1.688 1.00 0.00 C ATOM 610 CD2 LEU A 39 -1.807 -6.885 -1.961 1.00 0.00 C ATOM 0 H LEU A 39 -1.357 -9.082 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 39 0.598 -9.851 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.241 -7.381 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.382 -7.701 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.105 -7.617 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.044 -5.137 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.439 -5.801 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.165 -5.122 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.218 -6.348 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.001 -6.320 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.278 -7.865 -2.034 1.00 0.00 H new ATOM 622 N LEU A 40 1.464 -9.390 -0.427 1.00 0.00 N ATOM 623 CA LEU A 40 2.597 -9.584 0.522 1.00 0.00 C ATOM 624 C LEU A 40 2.475 -10.979 1.138 1.00 0.00 C ATOM 625 O LEU A 40 2.737 -11.184 2.306 1.00 0.00 O ATOM 626 CB LEU A 40 2.531 -8.526 1.628 1.00 0.00 C ATOM 627 CG LEU A 40 3.896 -8.409 2.309 1.00 0.00 C ATOM 628 CD1 LEU A 40 4.322 -6.940 2.350 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.801 -8.951 3.738 1.00 0.00 C ATOM 0 H LEU A 40 0.564 -9.191 0.009 1.00 0.00 H new ATOM 0 HA LEU A 40 3.547 -9.486 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.240 -7.564 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.770 -8.798 2.360 1.00 0.00 H new ATOM 0 HG LEU A 40 4.632 -8.986 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.294 -6.857 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.389 -6.552 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.586 -6.363 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.773 -8.868 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.065 -8.374 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.497 -9.997 3.711 1.00 0.00 H new ATOM 641 N LYS A 41 2.058 -11.934 0.354 1.00 0.00 N ATOM 642 CA LYS A 41 1.892 -13.317 0.875 1.00 0.00 C ATOM 643 C LYS A 41 2.801 -14.264 0.089 1.00 0.00 C ATOM 644 O LYS A 41 2.343 -15.136 -0.620 1.00 0.00 O ATOM 645 CB LYS A 41 0.426 -13.738 0.713 1.00 0.00 C ATOM 646 CG LYS A 41 0.250 -15.188 1.173 1.00 0.00 C ATOM 647 CD LYS A 41 -0.873 -15.849 0.368 1.00 0.00 C ATOM 648 CE LYS A 41 -2.047 -16.170 1.298 1.00 0.00 C ATOM 649 NZ LYS A 41 -3.009 -17.065 0.595 1.00 0.00 N ATOM 0 H LYS A 41 1.824 -11.814 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 41 2.164 -13.357 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.218 -13.081 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.122 -13.638 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.181 -15.739 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.014 -15.217 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.200 -15.186 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.508 -16.762 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.684 -16.651 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.546 -15.250 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.806 -17.283 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.364 -16.590 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.529 -17.948 0.326 1.00 0.00 H new ATOM 663 N GLY A 42 4.091 -14.090 0.210 1.00 0.00 N ATOM 664 CA GLY A 42 5.040 -14.972 -0.529 1.00 0.00 C ATOM 665 C GLY A 42 5.951 -14.112 -1.417 1.00 0.00 C ATOM 666 O GLY A 42 6.135 -12.936 -1.170 1.00 0.00 O ATOM 0 H GLY A 42 4.528 -13.374 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.640 -15.549 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.489 -15.687 -1.140 1.00 0.00 H new ATOM 670 N MET A 43 6.521 -14.681 -2.453 1.00 0.00 N ATOM 671 CA MET A 43 7.411 -13.884 -3.348 1.00 0.00 C ATOM 672 C MET A 43 8.484 -13.178 -2.517 1.00 0.00 C ATOM 673 O MET A 43 8.737 -13.530 -1.382 1.00 0.00 O ATOM 674 CB MET A 43 6.579 -12.838 -4.093 1.00 0.00 C ATOM 675 CG MET A 43 5.186 -13.402 -4.380 1.00 0.00 C ATOM 676 SD MET A 43 5.324 -14.789 -5.533 1.00 0.00 S ATOM 677 CE MET A 43 4.822 -16.091 -4.381 1.00 0.00 C ATOM 0 H MET A 43 6.407 -15.660 -2.715 1.00 0.00 H new ATOM 0 HA MET A 43 7.890 -14.552 -4.064 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.499 -11.929 -3.496 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.071 -12.564 -5.026 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.717 -13.731 -3.453 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.548 -12.626 -4.802 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.678 -16.728 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.454 -15.640 -3.460 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.031 -16.691 -4.832 1.00 0.00 H new ATOM 687 N SER A 44 9.113 -12.177 -3.073 1.00 0.00 N ATOM 688 CA SER A 44 10.163 -11.442 -2.316 1.00 0.00 C ATOM 689 C SER A 44 9.679 -10.016 -2.072 1.00 0.00 C ATOM 690 O SER A 44 9.651 -9.201 -2.973 1.00 0.00 O ATOM 691 CB SER A 44 11.455 -11.410 -3.136 1.00 0.00 C ATOM 692 OG SER A 44 11.137 -11.499 -4.519 1.00 0.00 O ATOM 0 H SER A 44 8.944 -11.838 -4.020 1.00 0.00 H new ATOM 0 HA SER A 44 10.355 -11.939 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.003 -10.490 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.104 -12.237 -2.846 1.00 0.00 H new ATOM 0 HG SER A 44 11.963 -11.477 -5.047 1.00 0.00 H new ATOM 698 N THR A 45 9.285 -9.704 -0.870 1.00 0.00 N ATOM 699 CA THR A 45 8.795 -8.339 -0.593 1.00 0.00 C ATOM 700 C THR A 45 9.780 -7.323 -1.141 1.00 0.00 C ATOM 701 O THR A 45 9.562 -6.736 -2.183 1.00 0.00 O ATOM 702 CB THR A 45 8.608 -8.160 0.912 1.00 0.00 C ATOM 703 OG1 THR A 45 9.253 -9.221 1.602 1.00 0.00 O ATOM 704 CG2 THR A 45 7.116 -8.163 1.238 1.00 0.00 C ATOM 0 H THR A 45 9.283 -10.339 -0.072 1.00 0.00 H new ATOM 0 HA THR A 45 7.833 -8.185 -1.082 1.00 0.00 H new ATOM 0 HB THR A 45 9.046 -7.212 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.134 -9.104 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.978 -8.035 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.626 -7.345 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.677 -9.111 0.926 1.00 0.00 H new ATOM 712 N LEU A 46 10.856 -7.125 -0.452 1.00 0.00 N ATOM 713 CA LEU A 46 11.886 -6.147 -0.909 1.00 0.00 C ATOM 714 C LEU A 46 11.191 -4.943 -1.549 1.00 0.00 C ATOM 715 O LEU A 46 10.045 -4.657 -1.266 1.00 0.00 O ATOM 716 CB LEU A 46 12.799 -6.820 -1.939 1.00 0.00 C ATOM 717 CG LEU A 46 14.260 -6.641 -1.523 1.00 0.00 C ATOM 718 CD1 LEU A 46 14.558 -5.153 -1.320 1.00 0.00 C ATOM 719 CD2 LEU A 46 14.510 -7.394 -0.215 1.00 0.00 C ATOM 0 H LEU A 46 11.076 -7.602 0.422 1.00 0.00 H new ATOM 0 HA LEU A 46 12.481 -5.813 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.559 -7.881 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.635 -6.385 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 46 14.911 -7.036 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.599 -5.028 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.379 -4.616 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.908 -4.755 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.551 -7.268 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.858 -6.997 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.299 -8.454 -0.359 1.00 0.00 H new ATOM 731 N ASP A 47 11.858 -4.266 -2.438 1.00 0.00 N ATOM 732 CA ASP A 47 11.219 -3.128 -3.140 1.00 0.00 C ATOM 733 C ASP A 47 10.494 -3.711 -4.328 1.00 0.00 C ATOM 734 O ASP A 47 10.872 -3.519 -5.466 1.00 0.00 O ATOM 735 CB ASP A 47 12.261 -2.158 -3.634 1.00 0.00 C ATOM 736 CG ASP A 47 12.344 -0.958 -2.689 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.221 -1.164 -1.492 1.00 0.00 O ATOM 738 OD2 ASP A 47 12.527 0.145 -3.176 1.00 0.00 O ATOM 0 H ASP A 47 12.823 -4.455 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 47 10.547 -2.594 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.231 -2.652 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.010 -1.823 -4.640 1.00 0.00 H new ATOM 743 N GLU A 48 9.508 -4.473 -4.069 1.00 0.00 N ATOM 744 CA GLU A 48 8.791 -5.137 -5.147 1.00 0.00 C ATOM 745 C GLU A 48 7.329 -5.249 -4.763 1.00 0.00 C ATOM 746 O GLU A 48 6.781 -6.313 -4.563 1.00 0.00 O ATOM 747 CB GLU A 48 9.424 -6.504 -5.299 1.00 0.00 C ATOM 748 CG GLU A 48 9.808 -6.744 -6.754 1.00 0.00 C ATOM 749 CD GLU A 48 8.706 -7.541 -7.453 1.00 0.00 C ATOM 750 OE1 GLU A 48 7.605 -7.577 -6.929 1.00 0.00 O ATOM 751 OE2 GLU A 48 8.982 -8.103 -8.501 1.00 0.00 O ATOM 0 H GLU A 48 9.158 -4.670 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 48 8.848 -4.589 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.307 -6.577 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.728 -7.275 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.959 -5.792 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.752 -7.287 -6.806 1.00 0.00 H new ATOM 758 N LEU A 49 6.727 -4.122 -4.665 1.00 0.00 N ATOM 759 CA LEU A 49 5.304 -4.004 -4.292 1.00 0.00 C ATOM 760 C LEU A 49 5.106 -2.523 -3.997 1.00 0.00 C ATOM 761 O LEU A 49 4.130 -1.915 -4.391 1.00 0.00 O ATOM 762 CB LEU A 49 4.977 -4.871 -3.062 1.00 0.00 C ATOM 763 CG LEU A 49 6.206 -5.031 -2.156 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.879 -4.486 -0.767 1.00 0.00 C ATOM 765 CD2 LEU A 49 6.564 -6.515 -2.032 1.00 0.00 C ATOM 0 H LEU A 49 7.184 -3.226 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 49 4.640 -4.356 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.163 -4.416 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.630 -5.852 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 49 7.046 -4.485 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.748 -4.597 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.615 -3.431 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.040 -5.041 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.437 -6.626 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.723 -7.057 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.787 -6.919 -3.019 1.00 0.00 H new ATOM 777 N PHE A 50 6.081 -1.929 -3.355 1.00 0.00 N ATOM 778 CA PHE A 50 6.028 -0.470 -3.078 1.00 0.00 C ATOM 779 C PHE A 50 6.472 0.255 -4.340 1.00 0.00 C ATOM 780 O PHE A 50 5.811 1.145 -4.839 1.00 0.00 O ATOM 781 CB PHE A 50 7.015 -0.149 -1.946 1.00 0.00 C ATOM 782 CG PHE A 50 6.673 1.149 -1.260 1.00 0.00 C ATOM 783 CD1 PHE A 50 5.364 1.428 -0.859 1.00 0.00 C ATOM 784 CD2 PHE A 50 7.694 2.072 -1.008 1.00 0.00 C ATOM 785 CE1 PHE A 50 5.078 2.635 -0.206 1.00 0.00 C ATOM 786 CE2 PHE A 50 7.410 3.275 -0.358 1.00 0.00 C ATOM 787 CZ PHE A 50 6.104 3.558 0.044 1.00 0.00 C ATOM 0 H PHE A 50 6.917 -2.401 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 50 5.023 -0.163 -2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.008 -0.959 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.026 -0.092 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.575 0.716 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.705 1.853 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.067 2.854 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.200 3.986 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.883 4.488 0.548 1.00 0.00 H new ATOM 797 N GLU A 51 7.597 -0.140 -4.854 1.00 0.00 N ATOM 798 CA GLU A 51 8.128 0.493 -6.094 1.00 0.00 C ATOM 799 C GLU A 51 7.476 -0.156 -7.310 1.00 0.00 C ATOM 800 O GLU A 51 7.415 0.401 -8.388 1.00 0.00 O ATOM 801 CB GLU A 51 9.644 0.278 -6.158 1.00 0.00 C ATOM 802 CG GLU A 51 9.956 -1.222 -6.112 1.00 0.00 C ATOM 803 CD GLU A 51 11.111 -1.530 -7.065 1.00 0.00 C ATOM 804 OE1 GLU A 51 11.968 -0.675 -7.222 1.00 0.00 O ATOM 805 OE2 GLU A 51 11.122 -2.617 -7.620 1.00 0.00 O ATOM 0 H GLU A 51 8.180 -0.882 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 51 7.907 1.560 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.045 0.715 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.128 0.786 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.219 -1.519 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.074 -1.797 -6.394 1.00 0.00 H new ATOM 812 N GLU A 52 7.029 -1.355 -7.132 1.00 0.00 N ATOM 813 CA GLU A 52 6.413 -2.127 -8.237 1.00 0.00 C ATOM 814 C GLU A 52 5.115 -1.509 -8.746 1.00 0.00 C ATOM 815 O GLU A 52 4.766 -1.687 -9.897 1.00 0.00 O ATOM 816 CB GLU A 52 6.068 -3.501 -7.700 1.00 0.00 C ATOM 817 CG GLU A 52 7.114 -4.518 -8.161 1.00 0.00 C ATOM 818 CD GLU A 52 6.540 -5.361 -9.301 1.00 0.00 C ATOM 819 OE1 GLU A 52 5.544 -6.028 -9.074 1.00 0.00 O ATOM 820 OE2 GLU A 52 7.105 -5.325 -10.381 1.00 0.00 O ATOM 0 H GLU A 52 7.065 -1.850 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 52 7.126 -2.148 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.028 -3.476 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.079 -3.800 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.015 -4.003 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.403 -5.161 -7.329 1.00 0.00 H new ATOM 827 N LEU A 53 4.344 -0.856 -7.922 1.00 0.00 N ATOM 828 CA LEU A 53 3.061 -0.355 -8.431 1.00 0.00 C ATOM 829 C LEU A 53 2.919 1.145 -8.210 1.00 0.00 C ATOM 830 O LEU A 53 2.040 1.773 -8.758 1.00 0.00 O ATOM 831 CB LEU A 53 1.953 -1.112 -7.678 1.00 0.00 C ATOM 832 CG LEU A 53 0.584 -0.464 -7.895 1.00 0.00 C ATOM 833 CD1 LEU A 53 0.444 0.784 -7.014 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.430 -0.084 -9.362 1.00 0.00 C ATOM 0 H LEU A 53 4.549 -0.656 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 53 2.995 -0.521 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.924 -2.148 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.183 -1.131 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.196 -1.174 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.534 1.237 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.543 0.502 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.223 1.501 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.545 0.378 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.214 0.621 -9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.511 -0.978 -9.980 1.00 0.00 H new ATOM 846 N ASP A 54 3.717 1.741 -7.385 1.00 0.00 N ATOM 847 CA ASP A 54 3.482 3.190 -7.157 1.00 0.00 C ATOM 848 C ASP A 54 4.714 4.052 -7.316 1.00 0.00 C ATOM 849 O ASP A 54 4.631 5.260 -7.271 1.00 0.00 O ATOM 850 CB ASP A 54 2.984 3.356 -5.747 1.00 0.00 C ATOM 851 CG ASP A 54 2.085 4.591 -5.649 1.00 0.00 C ATOM 852 OD1 ASP A 54 2.620 5.684 -5.572 1.00 0.00 O ATOM 853 OD2 ASP A 54 0.876 4.421 -5.652 1.00 0.00 O ATOM 0 H ASP A 54 4.491 1.315 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 54 2.768 3.518 -7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.430 2.468 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.828 3.456 -5.064 1.00 0.00 H new ATOM 858 N LYS A 55 5.837 3.473 -7.456 1.00 0.00 N ATOM 859 CA LYS A 55 7.050 4.269 -7.565 1.00 0.00 C ATOM 860 C LYS A 55 7.025 5.197 -8.773 1.00 0.00 C ATOM 861 O LYS A 55 7.622 4.908 -9.792 1.00 0.00 O ATOM 862 CB LYS A 55 8.219 3.333 -7.696 1.00 0.00 C ATOM 863 CG LYS A 55 9.117 3.533 -6.488 1.00 0.00 C ATOM 864 CD LYS A 55 10.336 4.382 -6.877 1.00 0.00 C ATOM 865 CE LYS A 55 10.436 5.607 -5.953 1.00 0.00 C ATOM 866 NZ LYS A 55 11.362 5.298 -4.825 1.00 0.00 N ATOM 0 H LYS A 55 5.972 2.463 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 55 7.130 4.890 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.876 2.300 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.767 3.534 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.562 4.023 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.444 2.567 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.245 3.785 -6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.250 4.704 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.799 6.470 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.450 5.869 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.633 6.181 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.886 4.669 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.214 4.829 -5.194 1.00 0.00 H new ATOM 880 N ASN A 56 6.442 6.360 -8.646 1.00 0.00 N ATOM 881 CA ASN A 56 6.521 7.324 -9.763 1.00 0.00 C ATOM 882 C ASN A 56 7.805 8.115 -9.501 1.00 0.00 C ATOM 883 O ASN A 56 7.993 9.219 -9.974 1.00 0.00 O ATOM 884 CB ASN A 56 5.312 8.268 -9.760 1.00 0.00 C ATOM 885 CG ASN A 56 4.169 7.657 -8.950 1.00 0.00 C ATOM 886 OD1 ASN A 56 3.306 7.001 -9.495 1.00 0.00 O ATOM 887 ND2 ASN A 56 4.130 7.841 -7.665 1.00 0.00 N ATOM 0 H ASN A 56 5.923 6.674 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 56 6.524 6.824 -10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.594 9.231 -9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.984 8.454 -10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.374 7.434 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.855 8.392 -7.207 1.00 0.00 H new ATOM 894 N GLY A 57 8.689 7.526 -8.718 1.00 0.00 N ATOM 895 CA GLY A 57 9.977 8.181 -8.360 1.00 0.00 C ATOM 896 C GLY A 57 9.792 9.103 -7.153 1.00 0.00 C ATOM 897 O GLY A 57 10.282 10.215 -7.139 1.00 0.00 O ATOM 0 H GLY A 57 8.560 6.601 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.727 7.423 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.349 8.754 -9.209 1.00 0.00 H new ATOM 901 N ASP A 58 9.111 8.657 -6.129 1.00 0.00 N ATOM 902 CA ASP A 58 8.943 9.539 -4.938 1.00 0.00 C ATOM 903 C ASP A 58 8.828 8.704 -3.657 1.00 0.00 C ATOM 904 O ASP A 58 8.245 9.128 -2.680 1.00 0.00 O ATOM 905 CB ASP A 58 7.699 10.420 -5.106 1.00 0.00 C ATOM 906 CG ASP A 58 7.981 11.811 -4.537 1.00 0.00 C ATOM 907 OD1 ASP A 58 8.106 11.922 -3.328 1.00 0.00 O ATOM 908 OD2 ASP A 58 8.065 12.744 -5.319 1.00 0.00 O ATOM 0 H ASP A 58 8.672 7.738 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 58 9.823 10.177 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.432 10.494 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.849 9.970 -4.592 1.00 0.00 H new ATOM 913 N GLY A 59 9.413 7.538 -3.655 1.00 0.00 N ATOM 914 CA GLY A 59 9.386 6.654 -2.450 1.00 0.00 C ATOM 915 C GLY A 59 8.079 6.820 -1.668 1.00 0.00 C ATOM 916 O GLY A 59 8.081 6.859 -0.454 1.00 0.00 O ATOM 0 H GLY A 59 9.919 7.151 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.500 5.614 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.232 6.890 -1.804 1.00 0.00 H new ATOM 920 N GLU A 60 6.962 6.919 -2.338 1.00 0.00 N ATOM 921 CA GLU A 60 5.674 7.081 -1.578 1.00 0.00 C ATOM 922 C GLU A 60 4.470 6.533 -2.349 1.00 0.00 C ATOM 923 O GLU A 60 4.365 6.672 -3.552 1.00 0.00 O ATOM 924 CB GLU A 60 5.417 8.560 -1.296 1.00 0.00 C ATOM 925 CG GLU A 60 5.641 9.370 -2.575 1.00 0.00 C ATOM 926 CD GLU A 60 4.297 9.621 -3.265 1.00 0.00 C ATOM 927 OE1 GLU A 60 3.426 10.194 -2.633 1.00 0.00 O ATOM 928 OE2 GLU A 60 4.163 9.235 -4.415 1.00 0.00 O ATOM 0 H GLU A 60 6.878 6.896 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 60 5.784 6.516 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.397 8.701 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.083 8.912 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.122 10.319 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.311 8.832 -3.246 1.00 0.00 H new ATOM 935 N VAL A 61 3.538 5.943 -1.640 1.00 0.00 N ATOM 936 CA VAL A 61 2.308 5.415 -2.287 1.00 0.00 C ATOM 937 C VAL A 61 1.095 6.075 -1.658 1.00 0.00 C ATOM 938 O VAL A 61 0.680 5.733 -0.570 1.00 0.00 O ATOM 939 CB VAL A 61 2.206 3.929 -2.061 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.105 3.356 -2.951 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.537 3.305 -2.412 1.00 0.00 C ATOM 0 H VAL A 61 3.583 5.806 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 61 2.350 5.625 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 61 1.961 3.715 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.029 2.281 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.154 3.828 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.345 3.550 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.486 2.227 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.770 3.509 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.316 3.727 -1.777 1.00 0.00 H new ATOM 951 N SER A 62 0.519 7.002 -2.336 1.00 0.00 N ATOM 952 CA SER A 62 -0.680 7.685 -1.781 1.00 0.00 C ATOM 953 C SER A 62 -1.916 6.837 -2.082 1.00 0.00 C ATOM 954 O SER A 62 -1.812 5.712 -2.520 1.00 0.00 O ATOM 955 CB SER A 62 -0.832 9.060 -2.430 1.00 0.00 C ATOM 956 OG SER A 62 -1.755 8.970 -3.507 1.00 0.00 O ATOM 0 H SER A 62 0.819 7.326 -3.255 1.00 0.00 H new ATOM 0 HA SER A 62 -0.570 7.809 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.182 9.785 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.134 9.413 -2.792 1.00 0.00 H new ATOM 0 HG SER A 62 -1.352 9.350 -4.316 1.00 0.00 H new ATOM 962 N PHE A 63 -3.082 7.373 -1.857 1.00 0.00 N ATOM 963 CA PHE A 63 -4.337 6.613 -2.131 1.00 0.00 C ATOM 964 C PHE A 63 -4.675 6.633 -3.628 1.00 0.00 C ATOM 965 O PHE A 63 -5.010 5.622 -4.212 1.00 0.00 O ATOM 966 CB PHE A 63 -5.490 7.265 -1.399 1.00 0.00 C ATOM 967 CG PHE A 63 -6.629 6.372 -1.678 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.570 5.075 -1.197 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.673 6.787 -2.492 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.568 4.177 -1.508 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.676 5.889 -2.826 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.630 4.572 -2.329 1.00 0.00 C ATOM 0 H PHE A 63 -3.223 8.315 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.185 5.586 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.294 7.342 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.675 8.276 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.741 4.767 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.704 7.801 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.531 3.170 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.490 6.199 -3.465 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.411 3.870 -2.581 1.00 0.00 H new ATOM 982 N GLU A 64 -4.646 7.784 -4.237 1.00 0.00 N ATOM 983 CA GLU A 64 -5.024 7.882 -5.677 1.00 0.00 C ATOM 984 C GLU A 64 -4.245 6.875 -6.543 1.00 0.00 C ATOM 985 O GLU A 64 -4.743 6.414 -7.552 1.00 0.00 O ATOM 986 CB GLU A 64 -4.786 9.307 -6.145 1.00 0.00 C ATOM 987 CG GLU A 64 -5.841 10.190 -5.478 1.00 0.00 C ATOM 988 CD GLU A 64 -5.702 11.629 -5.980 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.118 11.888 -7.098 1.00 0.00 O ATOM 990 OE2 GLU A 64 -5.184 12.448 -5.239 1.00 0.00 O ATOM 0 H GLU A 64 -4.376 8.665 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.079 7.630 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.783 9.637 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.862 9.372 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.839 9.812 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.723 10.160 -4.395 1.00 0.00 H new ATOM 997 N GLU A 65 -3.051 6.511 -6.166 1.00 0.00 N ATOM 998 CA GLU A 65 -2.290 5.509 -6.985 1.00 0.00 C ATOM 999 C GLU A 65 -2.189 4.178 -6.219 1.00 0.00 C ATOM 1000 O GLU A 65 -1.630 3.211 -6.695 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.879 6.035 -7.266 1.00 0.00 C ATOM 1002 CG GLU A 65 -0.348 6.768 -6.034 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.579 8.270 -6.195 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -1.324 8.642 -7.087 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -0.007 9.025 -5.425 1.00 0.00 O ATOM 0 H GLU A 65 -2.568 6.856 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.815 5.349 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.217 5.208 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.895 6.708 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.851 6.406 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.715 6.564 -5.907 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.700 4.146 -5.021 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.634 2.938 -4.163 1.00 0.00 C ATOM 1014 C PHE A 66 -3.708 1.877 -4.504 1.00 0.00 C ATOM 1015 O PHE A 66 -3.401 0.724 -4.641 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.856 3.421 -2.726 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.647 2.379 -2.022 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -3.019 1.256 -1.497 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -5.029 2.478 -2.044 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.790 0.217 -1.000 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -5.797 1.467 -1.534 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.184 0.326 -1.020 1.00 0.00 C ATOM 0 H PHE A 66 -3.177 4.938 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.670 2.453 -4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.902 3.583 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.385 4.374 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.941 1.193 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.500 3.354 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.318 -0.669 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.874 1.553 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.790 -0.480 -0.634 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.959 2.253 -4.495 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.079 1.275 -4.661 1.00 0.00 C ATOM 1034 C GLN A 67 -5.730 0.157 -5.622 1.00 0.00 C ATOM 1035 O GLN A 67 -6.291 -0.912 -5.552 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.348 1.986 -5.131 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.258 2.283 -6.623 1.00 0.00 C ATOM 1038 CD GLN A 67 -6.308 3.441 -6.869 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -5.620 3.477 -7.870 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -6.241 4.401 -6.003 1.00 0.00 N ATOM 0 H GLN A 67 -5.260 3.220 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.254 0.827 -3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.220 1.364 -4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.482 2.914 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.911 1.398 -7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.247 2.524 -7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.818 4.371 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.611 5.187 -6.161 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.811 0.357 -6.503 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.463 -0.764 -7.421 1.00 0.00 C ATOM 1051 C VAL A 68 -4.120 -2.039 -6.620 1.00 0.00 C ATOM 1052 O VAL A 68 -3.977 -3.106 -7.181 1.00 0.00 O ATOM 1053 CB VAL A 68 -3.284 -0.368 -8.310 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -2.774 -1.600 -9.060 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.741 0.690 -9.317 1.00 0.00 C ATOM 0 H VAL A 68 -4.290 1.224 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.327 -0.975 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.482 0.038 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.933 -1.318 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.451 -2.354 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.574 -2.007 -9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.902 0.974 -9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.542 0.283 -9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.105 1.568 -8.783 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.020 -1.947 -5.317 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.728 -3.154 -4.487 1.00 0.00 C ATOM 1067 C LEU A 69 -5.042 -3.623 -3.947 1.00 0.00 C ATOM 1068 O LEU A 69 -5.316 -4.799 -3.821 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.837 -2.814 -3.297 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.918 -1.720 -3.735 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.311 -1.013 -2.524 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.805 -2.296 -4.611 1.00 0.00 C ATOM 0 H LEU A 69 -4.129 -1.081 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.219 -3.901 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.437 -2.495 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.270 -3.689 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.491 -0.994 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.645 -0.220 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.108 -0.584 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.747 -1.731 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.139 -1.493 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.240 -3.034 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.242 -2.771 -5.489 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.867 -2.676 -3.632 1.00 0.00 N ATOM 1085 CA VAL A 70 -7.196 -3.033 -3.097 1.00 0.00 C ATOM 1086 C VAL A 70 -7.944 -3.764 -4.203 1.00 0.00 C ATOM 1087 O VAL A 70 -8.810 -4.582 -3.959 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.948 -1.784 -2.634 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.365 -0.956 -3.837 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -9.192 -2.199 -1.849 1.00 0.00 C ATOM 0 H VAL A 70 -5.680 -1.677 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.104 -3.676 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.294 -1.189 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.900 -0.068 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.479 -0.655 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.016 -1.550 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.728 -1.309 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.842 -2.798 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.895 -2.786 -0.980 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.561 -3.514 -5.426 1.00 0.00 N ATOM 1101 CA LYS A 71 -8.181 -4.231 -6.563 1.00 0.00 C ATOM 1102 C LYS A 71 -7.490 -5.587 -6.645 1.00 0.00 C ATOM 1103 O LYS A 71 -8.083 -6.587 -7.000 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.954 -3.451 -7.862 1.00 0.00 C ATOM 1105 CG LYS A 71 -8.187 -1.960 -7.613 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.723 -1.303 -8.888 1.00 0.00 C ATOM 1107 CE LYS A 71 -10.238 -1.501 -8.971 1.00 0.00 C ATOM 1108 NZ LYS A 71 -10.799 -0.619 -10.035 1.00 0.00 N ATOM 0 H LYS A 71 -6.841 -2.839 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.256 -4.340 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.939 -3.615 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.631 -3.811 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.896 -1.824 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.256 -1.482 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.485 -0.239 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.241 -1.738 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.467 -2.544 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.699 -1.268 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.829 -0.754 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.592 0.374 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.368 -0.861 -10.950 1.00 0.00 H new ATOM 1122 N LYS A 72 -6.225 -5.622 -6.295 1.00 0.00 N ATOM 1123 CA LYS A 72 -5.474 -6.907 -6.322 1.00 0.00 C ATOM 1124 C LYS A 72 -5.718 -7.663 -5.012 1.00 0.00 C ATOM 1125 O LYS A 72 -5.115 -8.686 -4.753 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.978 -6.621 -6.474 1.00 0.00 C ATOM 1127 CG LYS A 72 -3.273 -7.865 -7.018 1.00 0.00 C ATOM 1128 CD LYS A 72 -2.796 -7.595 -8.446 1.00 0.00 C ATOM 1129 CE LYS A 72 -2.517 -8.923 -9.151 1.00 0.00 C ATOM 1130 NZ LYS A 72 -3.632 -9.874 -8.877 1.00 0.00 N ATOM 0 H LYS A 72 -5.684 -4.812 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.815 -7.512 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.825 -5.779 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.551 -6.340 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.426 -8.123 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.953 -8.717 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.553 -7.033 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.894 -6.983 -8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.416 -8.763 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.573 -9.342 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.706 -10.556 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.444 -10.383 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.525 -9.347 -8.792 1.00 0.00 H new ATOM 1144 N ILE A 73 -6.601 -7.167 -4.179 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.886 -7.855 -2.886 1.00 0.00 C ATOM 1146 C ILE A 73 -7.534 -9.217 -3.147 1.00 0.00 C ATOM 1147 O ILE A 73 -7.774 -9.989 -2.239 1.00 0.00 O ATOM 1148 CB ILE A 73 -7.821 -6.981 -2.031 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -7.004 -5.912 -1.301 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -8.551 -7.839 -0.993 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -7.952 -4.895 -0.657 1.00 0.00 C ATOM 0 H ILE A 73 -7.136 -6.314 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.950 -8.010 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.551 -6.509 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.378 -6.375 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.335 -5.410 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.208 -7.207 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.143 -8.600 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.822 -8.321 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.370 -4.134 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.559 -4.423 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.602 -5.404 0.055 1.00 0.00 H new ATOM 1163 N SER A 74 -7.821 -9.510 -4.372 1.00 0.00 N ATOM 1164 CA SER A 74 -8.456 -10.810 -4.708 1.00 0.00 C ATOM 1165 C SER A 74 -8.816 -10.824 -6.193 1.00 0.00 C ATOM 1166 O SER A 74 -8.511 -9.903 -6.923 1.00 0.00 O ATOM 1167 CB SER A 74 -9.725 -10.975 -3.879 1.00 0.00 C ATOM 1168 OG SER A 74 -9.636 -12.168 -3.110 1.00 0.00 O ATOM 0 H SER A 74 -7.642 -8.900 -5.169 1.00 0.00 H new ATOM 0 HA SER A 74 -7.767 -11.626 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.858 -10.115 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.597 -11.015 -4.532 1.00 0.00 H new ATOM 0 HG SER A 74 -8.980 -12.046 -2.392 1.00 0.00 H new ATOM 1174 N GLN A 75 -9.466 -11.858 -6.645 1.00 0.00 N ATOM 1175 CA GLN A 75 -9.846 -11.924 -8.082 1.00 0.00 C ATOM 1176 C GLN A 75 -11.244 -11.329 -8.264 1.00 0.00 C ATOM 1177 O GLN A 75 -11.927 -11.022 -7.305 1.00 0.00 O ATOM 1178 CB GLN A 75 -9.846 -13.383 -8.541 1.00 0.00 C ATOM 1179 CG GLN A 75 -8.586 -14.078 -8.021 1.00 0.00 C ATOM 1180 CD GLN A 75 -8.952 -14.976 -6.839 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -8.420 -14.821 -5.757 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -9.844 -15.915 -6.998 1.00 0.00 N ATOM 1183 OXT GLN A 75 -11.677 -11.164 -9.483 1.00 0.00 O ATOM 0 H GLN A 75 -9.750 -12.660 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.130 -11.357 -8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.735 -13.893 -8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.880 -13.434 -9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.130 -14.670 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.849 -13.336 -7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.291 -16.046 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.095 -16.518 -6.215 1.00 0.00 H new TER 1192 GLN A 75