USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 764 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 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -121:sc= -0.0368 (180deg=-0.504) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 18 TYR OH : rot -35:sc= -2.78! USER MOD Single : A 19 THR OG1 : rot -170:sc= 0.0636 USER MOD Single : A 25 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.96) USER MOD Single : A 26 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.6!) USER MOD Single : A 37 TYR OH : rot 40:sc= 0.792 USER MOD Single : A 39 THR OG1 : rot 91:sc= -1.6! USER MOD Single : B 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl -119:sc= -0.067 (180deg=-0.511) USER MOD Single : B 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 6 GLN : amide:sc= -0.312 K(o=-0.31,f=-3.5!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 18 TYR OH : rot -34:sc= -2.78! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : B 25 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.94) USER MOD Single : B 26 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.7!) USER MOD Single : B 37 TYR OH : rot 54:sc= 0.799 USER MOD Single : B 39 THR OG1 : rot 111:sc= -1.59! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 88.157 42.700 60.960 1.00 0.00 N ATOM 2 CA HIS A 1 89.101 43.745 61.452 1.00 0.00 C ATOM 3 C HIS A 1 90.546 43.315 61.193 1.00 0.00 C ATOM 4 O HIS A 1 91.171 42.674 62.015 1.00 0.00 O ATOM 5 CB HIS A 1 88.832 43.843 62.955 1.00 0.00 C ATOM 6 CG HIS A 1 87.842 44.946 63.215 1.00 0.00 C ATOM 7 ND1 HIS A 1 86.554 44.693 63.660 1.00 0.00 N ATOM 8 CD2 HIS A 1 87.938 46.311 63.097 1.00 0.00 C ATOM 9 CE1 HIS A 1 85.931 45.878 63.791 1.00 0.00 C ATOM 10 NE2 HIS A 1 86.729 46.897 63.462 1.00 0.00 N ATOM 0 H1 HIS A 1 87.179 43.003 61.141 1.00 0.00 H new ATOM 0 H2 HIS A 1 88.293 42.562 59.938 1.00 0.00 H new ATOM 0 H3 HIS A 1 88.340 41.805 61.457 1.00 0.00 H new ATOM 0 HA HIS A 1 88.959 44.701 60.948 1.00 0.00 H new ATOM 0 HB2 HIS A 1 88.444 42.895 63.329 1.00 0.00 H new ATOM 0 HB3 HIS A 1 89.761 44.040 63.490 1.00 0.00 H new ATOM 0 HD2 HIS A 1 88.817 46.848 62.771 1.00 0.00 H new ATOM 0 HE1 HIS A 1 84.909 45.992 64.122 1.00 0.00 H new ATOM 0 HE2 HIS A 1 86.502 47.891 63.475 1.00 0.00 H new ATOM 20 N MET A 2 91.084 43.661 60.054 1.00 0.00 N ATOM 21 CA MET A 2 92.489 43.269 59.746 1.00 0.00 C ATOM 22 C MET A 2 93.206 44.399 58.998 1.00 0.00 C ATOM 23 O MET A 2 94.200 44.182 58.336 1.00 0.00 O ATOM 24 CB MET A 2 92.370 42.033 58.855 1.00 0.00 C ATOM 25 CG MET A 2 91.532 42.371 57.621 1.00 0.00 C ATOM 26 SD MET A 2 91.574 40.982 56.462 1.00 0.00 S ATOM 27 CE MET A 2 93.227 41.292 55.794 1.00 0.00 C ATOM 0 H MET A 2 90.612 44.197 59.325 1.00 0.00 H new ATOM 0 HA MET A 2 93.066 43.069 60.649 1.00 0.00 H new ATOM 0 HB2 MET A 2 93.361 41.693 58.553 1.00 0.00 H new ATOM 0 HB3 MET A 2 91.908 41.216 59.409 1.00 0.00 H new ATOM 0 HG2 MET A 2 90.504 42.583 57.914 1.00 0.00 H new ATOM 0 HG3 MET A 2 91.918 43.270 57.141 1.00 0.00 H new ATOM 0 HE1 MET A 2 93.161 41.445 54.717 1.00 0.00 H new ATOM 0 HE2 MET A 2 93.648 42.182 56.262 1.00 0.00 H new ATOM 0 HE3 MET A 2 93.869 40.436 56.000 1.00 0.00 H new ATOM 37 N GLY A 3 92.709 45.601 59.100 1.00 0.00 N ATOM 38 CA GLY A 3 93.367 46.737 58.394 1.00 0.00 C ATOM 39 C GLY A 3 92.956 48.056 59.050 1.00 0.00 C ATOM 40 O GLY A 3 91.848 48.207 59.524 1.00 0.00 O ATOM 0 H GLY A 3 91.879 45.845 59.640 1.00 0.00 H new ATOM 0 HA2 GLY A 3 94.450 46.623 58.431 1.00 0.00 H new ATOM 0 HA3 GLY A 3 93.082 46.738 57.342 1.00 0.00 H new ATOM 44 N HIS A 4 93.842 49.014 59.084 1.00 0.00 N ATOM 45 CA HIS A 4 93.501 50.324 59.711 1.00 0.00 C ATOM 46 C HIS A 4 93.818 51.471 58.750 1.00 0.00 C ATOM 47 O HIS A 4 94.596 51.326 57.828 1.00 0.00 O ATOM 48 CB HIS A 4 94.384 50.407 60.955 1.00 0.00 C ATOM 49 CG HIS A 4 93.684 49.748 62.112 1.00 0.00 C ATOM 50 ND1 HIS A 4 93.919 48.428 62.465 1.00 0.00 N ATOM 51 CD2 HIS A 4 92.751 50.214 63.006 1.00 0.00 C ATOM 52 CE1 HIS A 4 93.143 48.148 63.528 1.00 0.00 C ATOM 53 NE2 HIS A 4 92.412 49.202 63.899 1.00 0.00 N ATOM 0 H HIS A 4 94.787 48.947 58.705 1.00 0.00 H new ATOM 0 HA HIS A 4 92.442 50.401 59.956 1.00 0.00 H new ATOM 0 HB2 HIS A 4 95.340 49.918 60.769 1.00 0.00 H new ATOM 0 HB3 HIS A 4 94.600 51.449 61.192 1.00 0.00 H new ATOM 0 HD2 HIS A 4 92.343 51.214 63.015 1.00 0.00 H new ATOM 0 HE1 HIS A 4 93.115 47.188 64.021 1.00 0.00 H new ATOM 0 HE2 HIS A 4 91.748 49.254 64.671 1.00 0.00 H new ATOM 61 N ILE A 5 93.219 52.612 58.957 1.00 0.00 N ATOM 62 CA ILE A 5 93.486 53.770 58.056 1.00 0.00 C ATOM 63 C ILE A 5 94.205 54.883 58.824 1.00 0.00 C ATOM 64 O ILE A 5 93.588 55.696 59.482 1.00 0.00 O ATOM 65 CB ILE A 5 92.105 54.239 57.599 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.405 53.104 56.848 1.00 0.00 C ATOM 67 CG2 ILE A 5 92.256 55.446 56.671 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.645 52.225 57.844 1.00 0.00 C ATOM 0 H ILE A 5 92.556 52.793 59.711 1.00 0.00 H new ATOM 0 HA ILE A 5 94.125 53.502 57.215 1.00 0.00 H new ATOM 0 HB ILE A 5 91.512 54.522 58.468 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.716 53.513 56.109 1.00 0.00 H new ATOM 0 HG13 ILE A 5 92.138 52.507 56.305 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.271 55.780 56.345 1.00 0.00 H new ATOM 0 HG22 ILE A 5 92.755 56.255 57.204 1.00 0.00 H new ATOM 0 HG23 ILE A 5 92.849 55.164 55.801 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.146 51.417 57.309 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.345 51.805 58.566 1.00 0.00 H new ATOM 0 HD13 ILE A 5 89.902 52.827 58.367 1.00 0.00 H new ATOM 80 N GLN A 6 95.507 54.923 58.745 1.00 0.00 N ATOM 81 CA GLN A 6 96.264 55.982 59.472 1.00 0.00 C ATOM 82 C GLN A 6 97.530 56.357 58.697 1.00 0.00 C ATOM 83 O GLN A 6 97.892 55.715 57.732 1.00 0.00 O ATOM 84 CB GLN A 6 96.626 55.354 60.819 1.00 0.00 C ATOM 85 CG GLN A 6 95.416 55.419 61.754 1.00 0.00 C ATOM 86 CD GLN A 6 95.891 55.636 63.191 1.00 0.00 C ATOM 87 OE1 GLN A 6 97.052 55.906 63.426 1.00 0.00 O ATOM 88 NE2 GLN A 6 95.036 55.530 64.172 1.00 0.00 N ATOM 0 H GLN A 6 96.079 54.270 58.210 1.00 0.00 H new ATOM 0 HA GLN A 6 95.683 56.897 59.590 1.00 0.00 H new ATOM 0 HB2 GLN A 6 96.935 54.318 60.678 1.00 0.00 H new ATOM 0 HB3 GLN A 6 97.471 55.881 61.263 1.00 0.00 H new ATOM 0 HG2 GLN A 6 94.754 56.230 61.453 1.00 0.00 H new ATOM 0 HG3 GLN A 6 94.841 54.496 61.686 1.00 0.00 H new ATOM 0 HE21 GLN A 6 94.061 55.303 63.976 1.00 0.00 H new ATOM 0 HE22 GLN A 6 95.343 55.674 65.134 1.00 0.00 H new ATOM 97 N ILE A 7 98.204 57.393 59.113 1.00 0.00 N ATOM 98 CA ILE A 7 99.447 57.810 58.400 1.00 0.00 C ATOM 99 C ILE A 7 100.649 57.001 58.911 1.00 0.00 C ATOM 100 O ILE A 7 100.994 57.086 60.072 1.00 0.00 O ATOM 101 CB ILE A 7 99.618 59.290 58.743 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.365 60.063 58.319 1.00 0.00 C ATOM 103 CG2 ILE A 7 100.835 59.847 58.004 1.00 0.00 C ATOM 104 CD1 ILE A 7 98.122 59.871 56.821 1.00 0.00 C ATOM 0 H ILE A 7 97.949 57.969 59.915 1.00 0.00 H new ATOM 0 HA ILE A 7 99.383 57.642 57.325 1.00 0.00 H new ATOM 0 HB ILE A 7 99.764 59.398 59.818 1.00 0.00 H new ATOM 0 HG12 ILE A 7 97.502 59.713 58.885 1.00 0.00 H new ATOM 0 HG13 ILE A 7 98.486 61.123 58.545 1.00 0.00 H new ATOM 0 HG21 ILE A 7 100.957 60.902 58.248 1.00 0.00 H new ATOM 0 HG22 ILE A 7 101.727 59.299 58.307 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.689 59.738 56.929 1.00 0.00 H new ATOM 0 HD11 ILE A 7 97.230 60.422 56.523 1.00 0.00 H new ATOM 0 HD12 ILE A 7 98.981 60.242 56.262 1.00 0.00 H new ATOM 0 HD13 ILE A 7 97.981 58.811 56.608 1.00 0.00 H new ATOM 116 N PRO A 8 101.253 56.238 58.030 1.00 0.00 N ATOM 117 CA PRO A 8 102.425 55.418 58.423 1.00 0.00 C ATOM 118 C PRO A 8 103.652 56.310 58.655 1.00 0.00 C ATOM 119 O PRO A 8 103.808 57.323 58.002 1.00 0.00 O ATOM 120 CB PRO A 8 102.640 54.496 57.229 1.00 0.00 C ATOM 121 CG PRO A 8 102.040 55.222 56.071 1.00 0.00 C ATOM 122 CD PRO A 8 100.915 56.064 56.611 1.00 0.00 C ATOM 0 HA PRO A 8 102.269 54.870 59.352 1.00 0.00 H new ATOM 0 HB2 PRO A 8 103.700 54.300 57.067 1.00 0.00 H new ATOM 0 HB3 PRO A 8 102.158 53.531 57.383 1.00 0.00 H new ATOM 0 HG2 PRO A 8 102.786 55.846 55.579 1.00 0.00 H new ATOM 0 HG3 PRO A 8 101.671 54.518 55.325 1.00 0.00 H new ATOM 0 HD2 PRO A 8 100.850 57.022 56.095 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.951 55.570 56.488 1.00 0.00 H new ATOM 130 N PRO A 9 104.484 55.906 59.582 1.00 0.00 N ATOM 131 CA PRO A 9 105.705 56.690 59.897 1.00 0.00 C ATOM 132 C PRO A 9 106.752 56.521 58.792 1.00 0.00 C ATOM 133 O PRO A 9 106.901 55.460 58.221 1.00 0.00 O ATOM 134 CB PRO A 9 106.195 56.081 61.207 1.00 0.00 C ATOM 135 CG PRO A 9 105.649 54.688 61.218 1.00 0.00 C ATOM 136 CD PRO A 9 104.374 54.700 60.415 1.00 0.00 C ATOM 0 HA PRO A 9 105.517 57.761 59.974 1.00 0.00 H new ATOM 0 HB2 PRO A 9 107.284 56.078 61.257 1.00 0.00 H new ATOM 0 HB3 PRO A 9 105.838 56.651 62.065 1.00 0.00 H new ATOM 0 HG2 PRO A 9 106.367 53.990 60.788 1.00 0.00 H new ATOM 0 HG3 PRO A 9 105.457 54.359 62.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 104.279 53.802 59.805 1.00 0.00 H new ATOM 0 HD3 PRO A 9 103.497 54.741 61.061 1.00 0.00 H new ATOM 144 N GLY A 10 107.481 57.562 58.489 1.00 0.00 N ATOM 145 CA GLY A 10 108.520 57.460 57.425 1.00 0.00 C ATOM 146 C GLY A 10 108.009 58.108 56.135 1.00 0.00 C ATOM 147 O GLY A 10 108.778 58.471 55.266 1.00 0.00 O ATOM 0 H GLY A 10 107.402 58.477 58.932 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.437 57.952 57.751 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.766 56.414 57.244 1.00 0.00 H new ATOM 151 N LEU A 11 106.719 58.255 55.999 1.00 0.00 N ATOM 152 CA LEU A 11 106.167 58.878 54.761 1.00 0.00 C ATOM 153 C LEU A 11 106.500 60.372 54.721 1.00 0.00 C ATOM 154 O LEU A 11 107.043 60.870 53.755 1.00 0.00 O ATOM 155 CB LEU A 11 104.655 58.668 54.851 1.00 0.00 C ATOM 156 CG LEU A 11 103.976 59.333 53.652 1.00 0.00 C ATOM 157 CD1 LEU A 11 104.252 58.513 52.390 1.00 0.00 C ATOM 158 CD2 LEU A 11 102.467 59.401 53.893 1.00 0.00 C ATOM 0 H LEU A 11 106.024 57.971 56.690 1.00 0.00 H new ATOM 0 HA LEU A 11 106.587 58.437 53.857 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.425 57.603 54.868 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.273 59.091 55.780 1.00 0.00 H new ATOM 0 HG LEU A 11 104.370 60.341 53.525 1.00 0.00 H new ATOM 0 HD11 LEU A 11 103.768 58.986 51.536 1.00 0.00 H new ATOM 0 HD12 LEU A 11 105.327 58.463 52.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.857 57.505 52.518 1.00 0.00 H new ATOM 0 HD21 LEU A 11 101.983 59.875 53.039 1.00 0.00 H new ATOM 0 HD22 LEU A 11 102.073 58.393 54.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 102.268 59.984 54.792 1.00 0.00 H new ATOM 170 N THR A 12 106.175 61.090 55.761 1.00 0.00 N ATOM 171 CA THR A 12 106.470 62.553 55.778 1.00 0.00 C ATOM 172 C THR A 12 107.976 62.795 55.654 1.00 0.00 C ATOM 173 O THR A 12 108.424 63.580 54.841 1.00 0.00 O ATOM 174 CB THR A 12 105.959 63.043 57.134 1.00 0.00 C ATOM 175 OG1 THR A 12 104.579 62.728 57.260 1.00 0.00 O ATOM 176 CG2 THR A 12 106.150 64.558 57.236 1.00 0.00 C ATOM 0 H THR A 12 105.719 60.729 56.599 1.00 0.00 H new ATOM 0 HA THR A 12 105.997 63.078 54.948 1.00 0.00 H new ATOM 0 HB THR A 12 106.518 62.554 57.932 1.00 0.00 H new ATOM 0 HG1 THR A 12 104.250 63.040 58.129 1.00 0.00 H new ATOM 0 HG21 THR A 12 105.786 64.906 58.202 1.00 0.00 H new ATOM 0 HG22 THR A 12 107.209 64.799 57.139 1.00 0.00 H new ATOM 0 HG23 THR A 12 105.592 65.050 56.439 1.00 0.00 H new ATOM 184 N GLU A 13 108.758 62.130 56.455 1.00 0.00 N ATOM 185 CA GLU A 13 110.236 62.324 56.387 1.00 0.00 C ATOM 186 C GLU A 13 110.734 62.133 54.952 1.00 0.00 C ATOM 187 O GLU A 13 111.520 62.910 54.448 1.00 0.00 O ATOM 188 CB GLU A 13 110.818 61.247 57.304 1.00 0.00 C ATOM 189 CG GLU A 13 112.325 61.465 57.456 1.00 0.00 C ATOM 190 CD GLU A 13 112.885 60.469 58.475 1.00 0.00 C ATOM 191 OE1 GLU A 13 112.816 60.761 59.657 1.00 0.00 O ATOM 192 OE2 GLU A 13 113.373 59.433 58.055 1.00 0.00 O ATOM 0 H GLU A 13 108.440 61.460 57.155 1.00 0.00 H new ATOM 0 HA GLU A 13 110.534 63.327 56.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.334 61.285 58.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.623 60.258 56.890 1.00 0.00 H new ATOM 0 HG2 GLU A 13 112.821 61.335 56.494 1.00 0.00 H new ATOM 0 HG3 GLU A 13 112.524 62.486 57.782 1.00 0.00 H new ATOM 199 N LEU A 14 110.284 61.101 54.289 1.00 0.00 N ATOM 200 CA LEU A 14 110.734 60.861 52.888 1.00 0.00 C ATOM 201 C LEU A 14 110.444 62.088 52.018 1.00 0.00 C ATOM 202 O LEU A 14 111.320 62.615 51.360 1.00 0.00 O ATOM 203 CB LEU A 14 109.916 59.660 52.412 1.00 0.00 C ATOM 204 CG LEU A 14 110.841 58.457 52.220 1.00 0.00 C ATOM 205 CD1 LEU A 14 110.019 57.250 51.766 1.00 0.00 C ATOM 206 CD2 LEU A 14 111.891 58.786 51.157 1.00 0.00 C ATOM 0 H LEU A 14 109.625 60.415 54.657 1.00 0.00 H new ATOM 0 HA LEU A 14 111.806 60.676 52.825 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.140 59.423 53.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.412 59.898 51.475 1.00 0.00 H new ATOM 0 HG LEU A 14 111.337 58.226 53.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 110.677 56.392 51.629 1.00 0.00 H new ATOM 0 HD12 LEU A 14 109.270 57.015 52.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 109.523 57.481 50.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 112.551 57.929 51.020 1.00 0.00 H new ATOM 0 HD22 LEU A 14 111.395 59.017 50.214 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.477 59.647 51.479 1.00 0.00 H new ATOM 218 N LEU A 15 109.223 62.547 52.009 1.00 0.00 N ATOM 219 CA LEU A 15 108.882 63.738 51.181 1.00 0.00 C ATOM 220 C LEU A 15 109.667 64.959 51.668 1.00 0.00 C ATOM 221 O LEU A 15 110.267 65.672 50.888 1.00 0.00 O ATOM 222 CB LEU A 15 107.381 63.945 51.381 1.00 0.00 C ATOM 223 CG LEU A 15 106.626 62.713 50.877 1.00 0.00 C ATOM 224 CD1 LEU A 15 105.170 62.782 51.340 1.00 0.00 C ATOM 225 CD2 LEU A 15 106.674 62.677 49.347 1.00 0.00 C ATOM 0 H LEU A 15 108.447 62.149 52.539 1.00 0.00 H new ATOM 0 HA LEU A 15 109.134 63.598 50.130 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.163 64.112 52.436 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.050 64.833 50.843 1.00 0.00 H new ATOM 0 HG LEU A 15 107.092 61.812 51.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 104.632 61.905 50.981 1.00 0.00 H new ATOM 0 HD12 LEU A 15 105.135 62.808 52.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 104.703 63.682 50.940 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.137 61.800 48.987 1.00 0.00 H new ATOM 0 HD22 LEU A 15 106.208 63.578 48.947 1.00 0.00 H new ATOM 0 HD23 LEU A 15 107.712 62.628 49.017 1.00 0.00 H new ATOM 237 N GLN A 16 109.676 65.201 52.951 1.00 0.00 N ATOM 238 CA GLN A 16 110.434 66.371 53.480 1.00 0.00 C ATOM 239 C GLN A 16 111.882 66.314 52.987 1.00 0.00 C ATOM 240 O GLN A 16 112.498 67.325 52.717 1.00 0.00 O ATOM 241 CB GLN A 16 110.376 66.229 55.002 1.00 0.00 C ATOM 242 CG GLN A 16 109.881 67.539 55.617 1.00 0.00 C ATOM 243 CD GLN A 16 109.763 67.378 57.134 1.00 0.00 C ATOM 244 OE1 GLN A 16 109.976 66.304 57.661 1.00 0.00 O ATOM 245 NE2 GLN A 16 109.430 68.407 57.862 1.00 0.00 N ATOM 0 H GLN A 16 109.193 64.641 53.654 1.00 0.00 H new ATOM 0 HA GLN A 16 110.018 67.323 53.149 1.00 0.00 H new ATOM 0 HB2 GLN A 16 109.710 65.411 55.277 1.00 0.00 H new ATOM 0 HB3 GLN A 16 111.363 65.981 55.393 1.00 0.00 H new ATOM 0 HG2 GLN A 16 110.571 68.348 55.379 1.00 0.00 H new ATOM 0 HG3 GLN A 16 108.914 67.810 55.193 1.00 0.00 H new ATOM 0 HE21 GLN A 16 109.251 69.308 57.419 1.00 0.00 H new ATOM 0 HE22 GLN A 16 109.348 68.311 58.874 1.00 0.00 H new ATOM 254 N GLY A 17 112.423 65.132 52.856 1.00 0.00 N ATOM 255 CA GLY A 17 113.825 65.006 52.367 1.00 0.00 C ATOM 256 C GLY A 17 113.937 65.695 51.008 1.00 0.00 C ATOM 257 O GLY A 17 114.752 66.574 50.814 1.00 0.00 O ATOM 0 H GLY A 17 111.955 64.250 53.066 1.00 0.00 H new ATOM 0 HA2 GLY A 17 114.515 65.460 53.078 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.102 63.955 52.281 1.00 0.00 H new ATOM 261 N TYR A 18 113.114 65.306 50.068 1.00 0.00 N ATOM 262 CA TYR A 18 113.154 65.940 48.717 1.00 0.00 C ATOM 263 C TYR A 18 113.189 67.465 48.844 1.00 0.00 C ATOM 264 O TYR A 18 113.936 68.142 48.166 1.00 0.00 O ATOM 265 CB TYR A 18 111.856 65.496 48.044 1.00 0.00 C ATOM 266 CG TYR A 18 112.087 65.336 46.565 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.157 64.540 46.105 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.238 65.984 45.642 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.379 64.390 44.718 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.458 65.835 44.256 1.00 0.00 C ATOM 271 CZ TYR A 18 112.529 65.038 43.792 1.00 0.00 C ATOM 272 OH TYR A 18 112.746 64.893 42.437 1.00 0.00 O ATOM 0 H TYR A 18 112.413 64.573 50.179 1.00 0.00 H new ATOM 0 HA TYR A 18 114.038 65.649 48.150 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.515 64.554 48.474 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.071 66.231 48.223 1.00 0.00 H new ATOM 0 HD1 TYR A 18 113.806 64.046 46.813 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.420 66.594 45.996 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.198 63.781 44.365 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.808 66.330 43.550 1.00 0.00 H new ATOM 0 HH TYR A 18 113.709 64.830 42.265 1.00 0.00 H new ATOM 282 N THR A 19 112.384 68.006 49.716 1.00 0.00 N ATOM 283 CA THR A 19 112.361 69.483 49.903 1.00 0.00 C ATOM 284 C THR A 19 113.764 69.997 50.240 1.00 0.00 C ATOM 285 O THR A 19 114.160 71.070 49.831 1.00 0.00 O ATOM 286 CB THR A 19 111.410 69.706 51.079 1.00 0.00 C ATOM 287 OG1 THR A 19 110.325 68.794 50.985 1.00 0.00 O ATOM 288 CG2 THR A 19 110.876 71.137 51.050 1.00 0.00 C ATOM 0 H THR A 19 111.738 67.486 50.310 1.00 0.00 H new ATOM 0 HA THR A 19 112.040 70.013 49.006 1.00 0.00 H new ATOM 0 HB THR A 19 111.947 69.543 52.013 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.637 69.035 51.640 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.199 71.290 51.890 1.00 0.00 H new ATOM 0 HG22 THR A 19 111.708 71.837 51.122 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.339 71.306 50.116 1.00 0.00 H new ATOM 296 N VAL A 20 114.519 69.238 50.989 1.00 0.00 N ATOM 297 CA VAL A 20 115.893 69.683 51.359 1.00 0.00 C ATOM 298 C VAL A 20 116.881 69.371 50.231 1.00 0.00 C ATOM 299 O VAL A 20 117.902 70.017 50.091 1.00 0.00 O ATOM 300 CB VAL A 20 116.241 68.882 52.613 1.00 0.00 C ATOM 301 CG1 VAL A 20 117.629 69.287 53.111 1.00 0.00 C ATOM 302 CG2 VAL A 20 115.205 69.171 53.702 1.00 0.00 C ATOM 0 H VAL A 20 114.243 68.329 51.360 1.00 0.00 H new ATOM 0 HA VAL A 20 115.944 70.758 51.531 1.00 0.00 H new ATOM 0 HB VAL A 20 116.238 67.818 52.377 1.00 0.00 H new ATOM 0 HG11 VAL A 20 117.876 68.715 54.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 118.367 69.084 52.335 1.00 0.00 H new ATOM 0 HG13 VAL A 20 117.634 70.351 53.348 1.00 0.00 H new ATOM 0 HG21 VAL A 20 115.450 68.601 54.598 1.00 0.00 H new ATOM 0 HG22 VAL A 20 115.211 70.236 53.936 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.215 68.883 53.348 1.00 0.00 H new ATOM 312 N GLU A 21 116.586 68.392 49.421 1.00 0.00 N ATOM 313 CA GLU A 21 117.515 68.050 48.296 1.00 0.00 C ATOM 314 C GLU A 21 117.195 68.942 47.104 1.00 0.00 C ATOM 315 O GLU A 21 118.047 69.618 46.562 1.00 0.00 O ATOM 316 CB GLU A 21 117.254 66.579 47.910 1.00 0.00 C ATOM 317 CG GLU A 21 116.784 65.755 49.112 1.00 0.00 C ATOM 318 CD GLU A 21 117.416 64.364 49.059 1.00 0.00 C ATOM 319 OE1 GLU A 21 117.773 63.938 47.973 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.532 63.747 50.105 1.00 0.00 O ATOM 0 H GLU A 21 115.748 67.814 49.485 1.00 0.00 H new ATOM 0 HA GLU A 21 118.555 68.195 48.590 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.501 66.537 47.123 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.166 66.142 47.503 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.061 66.256 50.040 1.00 0.00 H new ATOM 0 HG3 GLU A 21 115.697 65.672 49.106 1.00 0.00 H new ATOM 327 N VAL A 22 115.960 68.939 46.698 1.00 0.00 N ATOM 328 CA VAL A 22 115.542 69.773 45.543 1.00 0.00 C ATOM 329 C VAL A 22 115.950 71.233 45.766 1.00 0.00 C ATOM 330 O VAL A 22 116.372 71.915 44.854 1.00 0.00 O ATOM 331 CB VAL A 22 114.023 69.632 45.507 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.454 70.531 44.416 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.649 68.178 45.209 1.00 0.00 C ATOM 0 H VAL A 22 115.214 68.388 47.122 1.00 0.00 H new ATOM 0 HA VAL A 22 116.007 69.462 44.608 1.00 0.00 H new ATOM 0 HB VAL A 22 113.612 69.924 46.473 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.369 70.430 44.390 1.00 0.00 H new ATOM 0 HG12 VAL A 22 113.717 71.568 44.625 1.00 0.00 H new ATOM 0 HG13 VAL A 22 113.868 70.239 43.451 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.564 68.079 45.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.062 67.887 44.244 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.054 67.531 45.987 1.00 0.00 H new ATOM 343 N LEU A 23 115.827 71.716 46.973 1.00 0.00 N ATOM 344 CA LEU A 23 116.210 73.131 47.250 1.00 0.00 C ATOM 345 C LEU A 23 117.732 73.289 47.188 1.00 0.00 C ATOM 346 O LEU A 23 118.245 74.263 46.674 1.00 0.00 O ATOM 347 CB LEU A 23 115.700 73.411 48.663 1.00 0.00 C ATOM 348 CG LEU A 23 114.269 73.949 48.595 1.00 0.00 C ATOM 349 CD1 LEU A 23 113.671 73.987 50.002 1.00 0.00 C ATOM 350 CD2 LEU A 23 114.284 75.363 48.011 1.00 0.00 C ATOM 0 H LEU A 23 115.479 71.194 47.777 1.00 0.00 H new ATOM 0 HA LEU A 23 115.789 73.823 46.520 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.728 72.498 49.258 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.348 74.134 49.158 1.00 0.00 H new ATOM 0 HG LEU A 23 113.666 73.299 47.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 112.652 74.370 49.954 1.00 0.00 H new ATOM 0 HD12 LEU A 23 113.661 72.981 50.420 1.00 0.00 H new ATOM 0 HD13 LEU A 23 114.274 74.637 50.636 1.00 0.00 H new ATOM 0 HD21 LEU A 23 113.265 75.747 47.962 1.00 0.00 H new ATOM 0 HD22 LEU A 23 114.887 76.012 48.646 1.00 0.00 H new ATOM 0 HD23 LEU A 23 114.711 75.338 47.008 1.00 0.00 H new ATOM 362 N ARG A 24 118.458 72.337 47.709 1.00 0.00 N ATOM 363 CA ARG A 24 119.946 72.432 47.682 1.00 0.00 C ATOM 364 C ARG A 24 120.469 72.157 46.269 1.00 0.00 C ATOM 365 O ARG A 24 121.026 73.023 45.624 1.00 0.00 O ATOM 366 CB ARG A 24 120.429 71.354 48.653 1.00 0.00 C ATOM 367 CG ARG A 24 121.912 71.570 48.963 1.00 0.00 C ATOM 368 CD ARG A 24 122.054 72.242 50.330 1.00 0.00 C ATOM 369 NE ARG A 24 123.334 73.000 50.255 1.00 0.00 N ATOM 370 CZ ARG A 24 123.992 73.278 51.348 1.00 0.00 C ATOM 371 NH1 ARG A 24 124.476 72.313 52.081 1.00 0.00 N ATOM 372 NH2 ARG A 24 124.164 74.521 51.707 1.00 0.00 N ATOM 0 H ARG A 24 118.085 71.497 48.152 1.00 0.00 H new ATOM 0 HA ARG A 24 120.302 73.423 47.964 1.00 0.00 H new ATOM 0 HB2 ARG A 24 119.846 71.391 49.573 1.00 0.00 H new ATOM 0 HB3 ARG A 24 120.278 70.365 48.219 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.438 70.616 48.959 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.369 72.190 48.192 1.00 0.00 H new ATOM 0 HD2 ARG A 24 121.213 72.906 50.533 1.00 0.00 H new ATOM 0 HD3 ARG A 24 122.078 71.504 51.132 1.00 0.00 H new ATOM 0 HE ARG A 24 123.696 73.302 49.350 1.00 0.00 H new ATOM 0 HH11 ARG A 24 124.340 71.342 51.800 1.00 0.00 H new ATOM 0 HH12 ARG A 24 124.990 72.530 52.935 1.00 0.00 H new ATOM 0 HH21 ARG A 24 123.784 75.275 51.134 1.00 0.00 H new ATOM 0 HH22 ARG A 24 124.678 74.739 52.561 1.00 0.00 H new ATOM 386 N GLN A 25 120.294 70.959 45.782 1.00 0.00 N ATOM 387 CA GLN A 25 120.781 70.634 44.410 1.00 0.00 C ATOM 388 C GLN A 25 120.155 71.589 43.390 1.00 0.00 C ATOM 389 O GLN A 25 120.750 71.915 42.383 1.00 0.00 O ATOM 390 CB GLN A 25 120.321 69.197 44.156 1.00 0.00 C ATOM 391 CG GLN A 25 121.475 68.233 44.441 1.00 0.00 C ATOM 392 CD GLN A 25 121.643 68.070 45.952 1.00 0.00 C ATOM 393 OE1 GLN A 25 122.148 68.952 46.618 1.00 0.00 O ATOM 394 NE2 GLN A 25 121.238 66.970 46.527 1.00 0.00 N ATOM 0 H GLN A 25 119.836 70.192 46.273 1.00 0.00 H new ATOM 0 HA GLN A 25 121.862 70.736 44.319 1.00 0.00 H new ATOM 0 HB2 GLN A 25 119.469 68.959 44.793 1.00 0.00 H new ATOM 0 HB3 GLN A 25 119.988 69.088 43.124 1.00 0.00 H new ATOM 0 HG2 GLN A 25 121.277 67.265 43.980 1.00 0.00 H new ATOM 0 HG3 GLN A 25 122.397 68.613 44.001 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.814 66.229 45.969 1.00 0.00 H new ATOM 0 HE22 GLN A 25 121.346 66.852 47.534 1.00 0.00 H new ATOM 403 N GLN A 26 118.958 72.041 43.647 1.00 0.00 N ATOM 404 CA GLN A 26 118.290 72.979 42.698 1.00 0.00 C ATOM 405 C GLN A 26 118.329 72.419 41.269 1.00 0.00 C ATOM 406 O GLN A 26 118.853 73.048 40.373 1.00 0.00 O ATOM 407 CB GLN A 26 119.094 74.276 42.792 1.00 0.00 C ATOM 408 CG GLN A 26 118.150 75.441 43.090 1.00 0.00 C ATOM 409 CD GLN A 26 118.896 76.514 43.886 1.00 0.00 C ATOM 410 OE1 GLN A 26 119.878 76.228 44.542 1.00 0.00 O ATOM 411 NE2 GLN A 26 118.468 77.747 43.856 1.00 0.00 N ATOM 0 H GLN A 26 118.412 71.801 44.475 1.00 0.00 H new ATOM 0 HA GLN A 26 117.239 73.132 42.943 1.00 0.00 H new ATOM 0 HB2 GLN A 26 119.846 74.194 43.576 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.626 74.455 41.858 1.00 0.00 H new ATOM 0 HG2 GLN A 26 117.770 75.862 42.159 1.00 0.00 H new ATOM 0 HG3 GLN A 26 117.287 75.088 43.655 1.00 0.00 H new ATOM 0 HE21 GLN A 26 117.644 77.987 43.305 1.00 0.00 H new ATOM 0 HE22 GLN A 26 118.958 78.470 44.383 1.00 0.00 H new ATOM 420 N PRO A 27 117.764 71.247 41.100 1.00 0.00 N ATOM 421 CA PRO A 27 117.737 70.608 39.762 1.00 0.00 C ATOM 422 C PRO A 27 116.760 71.348 38.838 1.00 0.00 C ATOM 423 O PRO A 27 115.757 71.862 39.288 1.00 0.00 O ATOM 424 CB PRO A 27 117.248 69.190 40.050 1.00 0.00 C ATOM 425 CG PRO A 27 116.482 69.299 41.328 1.00 0.00 C ATOM 426 CD PRO A 27 117.110 70.416 42.119 1.00 0.00 C ATOM 0 HA PRO A 27 118.704 70.624 39.259 1.00 0.00 H new ATOM 0 HB2 PRO A 27 116.618 68.818 39.242 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.083 68.496 40.148 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.430 69.508 41.132 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.522 68.362 41.884 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.362 70.981 42.675 1.00 0.00 H new ATOM 0 HD3 PRO A 27 117.828 70.036 42.846 1.00 0.00 H new ATOM 434 N PRO A 28 117.086 71.381 37.568 1.00 0.00 N ATOM 435 CA PRO A 28 116.219 72.070 36.582 1.00 0.00 C ATOM 436 C PRO A 28 114.920 71.285 36.367 1.00 0.00 C ATOM 437 O PRO A 28 113.881 71.850 36.088 1.00 0.00 O ATOM 438 CB PRO A 28 117.062 72.087 35.308 1.00 0.00 C ATOM 439 CG PRO A 28 118.007 70.939 35.460 1.00 0.00 C ATOM 440 CD PRO A 28 118.274 70.791 36.935 1.00 0.00 C ATOM 0 HA PRO A 28 115.920 73.068 36.902 1.00 0.00 H new ATOM 0 HB2 PRO A 28 116.440 71.972 34.420 1.00 0.00 H new ATOM 0 HB3 PRO A 28 117.599 73.030 35.201 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.575 70.025 35.051 1.00 0.00 H new ATOM 0 HG3 PRO A 28 118.933 71.125 34.916 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.399 69.745 37.216 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.185 71.312 37.231 1.00 0.00 H new ATOM 448 N ASP A 29 114.971 69.988 36.498 1.00 0.00 N ATOM 449 CA ASP A 29 113.740 69.171 36.301 1.00 0.00 C ATOM 450 C ASP A 29 113.595 68.150 37.433 1.00 0.00 C ATOM 451 O ASP A 29 114.458 67.321 37.648 1.00 0.00 O ATOM 452 CB ASP A 29 113.945 68.460 34.963 1.00 0.00 C ATOM 453 CG ASP A 29 114.202 69.499 33.868 1.00 0.00 C ATOM 454 OD1 ASP A 29 113.268 70.200 33.514 1.00 0.00 O ATOM 455 OD2 ASP A 29 115.326 69.575 33.402 1.00 0.00 O ATOM 0 H ASP A 29 115.811 69.459 36.733 1.00 0.00 H new ATOM 0 HA ASP A 29 112.836 69.781 36.305 1.00 0.00 H new ATOM 0 HB2 ASP A 29 114.787 67.771 35.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.065 67.866 34.716 1.00 0.00 H new ATOM 460 N LEU A 30 112.511 68.202 38.157 1.00 0.00 N ATOM 461 CA LEU A 30 112.313 67.234 39.274 1.00 0.00 C ATOM 462 C LEU A 30 111.838 65.888 38.724 1.00 0.00 C ATOM 463 O LEU A 30 112.037 64.854 39.327 1.00 0.00 O ATOM 464 CB LEU A 30 111.238 67.862 40.162 1.00 0.00 C ATOM 465 CG LEU A 30 111.668 69.273 40.565 1.00 0.00 C ATOM 466 CD1 LEU A 30 110.765 70.298 39.876 1.00 0.00 C ATOM 467 CD2 LEU A 30 111.549 69.428 42.083 1.00 0.00 C ATOM 0 H LEU A 30 111.754 68.872 38.024 1.00 0.00 H new ATOM 0 HA LEU A 30 113.234 67.046 39.826 1.00 0.00 H new ATOM 0 HB2 LEU A 30 110.287 67.898 39.630 1.00 0.00 H new ATOM 0 HB3 LEU A 30 111.083 67.250 41.051 1.00 0.00 H new ATOM 0 HG LEU A 30 112.702 69.438 40.262 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.071 71.304 40.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 110.849 70.188 38.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 109.731 70.133 40.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 111.855 70.434 42.371 1.00 0.00 H new ATOM 0 HD22 LEU A 30 110.515 69.263 42.386 1.00 0.00 H new ATOM 0 HD23 LEU A 30 112.192 68.698 42.575 1.00 0.00 H new ATOM 479 N VAL A 31 111.215 65.893 37.578 1.00 0.00 N ATOM 480 CA VAL A 31 110.733 64.611 36.986 1.00 0.00 C ATOM 481 C VAL A 31 111.892 63.620 36.884 1.00 0.00 C ATOM 482 O VAL A 31 111.820 62.507 37.366 1.00 0.00 O ATOM 483 CB VAL A 31 110.234 64.983 35.591 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.606 63.754 34.930 1.00 0.00 C ATOM 485 CG2 VAL A 31 109.184 66.090 35.705 1.00 0.00 C ATOM 0 H VAL A 31 111.018 66.728 37.026 1.00 0.00 H new ATOM 0 HA VAL A 31 109.954 64.142 37.588 1.00 0.00 H new ATOM 0 HB VAL A 31 111.071 65.334 34.987 1.00 0.00 H new ATOM 0 HG11 VAL A 31 109.250 64.019 33.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 110.352 62.963 34.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.769 63.404 35.534 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.827 66.357 34.710 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.348 65.737 36.308 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.629 66.966 36.178 1.00 0.00 H new ATOM 495 N ASP A 32 112.962 64.026 36.261 1.00 0.00 N ATOM 496 CA ASP A 32 114.136 63.124 36.122 1.00 0.00 C ATOM 497 C ASP A 32 114.812 62.934 37.482 1.00 0.00 C ATOM 498 O ASP A 32 115.110 61.830 37.890 1.00 0.00 O ATOM 499 CB ASP A 32 115.061 63.852 35.150 1.00 0.00 C ATOM 500 CG ASP A 32 115.723 62.839 34.214 1.00 0.00 C ATOM 501 OD1 ASP A 32 115.118 61.810 33.963 1.00 0.00 O ATOM 502 OD2 ASP A 32 116.825 63.109 33.765 1.00 0.00 O ATOM 0 H ASP A 32 113.074 64.949 35.840 1.00 0.00 H new ATOM 0 HA ASP A 32 113.869 62.130 35.764 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.495 64.581 34.571 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.822 64.404 35.701 1.00 0.00 H new ATOM 507 N PHE A 33 115.045 64.004 38.193 1.00 0.00 N ATOM 508 CA PHE A 33 115.691 63.881 39.531 1.00 0.00 C ATOM 509 C PHE A 33 114.844 62.976 40.428 1.00 0.00 C ATOM 510 O PHE A 33 115.335 62.040 41.027 1.00 0.00 O ATOM 511 CB PHE A 33 115.730 65.307 40.086 1.00 0.00 C ATOM 512 CG PHE A 33 116.280 65.286 41.492 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.522 64.668 41.755 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.552 65.887 42.545 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.037 64.648 43.071 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.067 65.866 43.860 1.00 0.00 C ATOM 517 CZ PHE A 33 117.310 65.247 44.123 1.00 0.00 C ATOM 0 H PHE A 33 114.817 64.956 37.906 1.00 0.00 H new ATOM 0 HA PHE A 33 116.688 63.443 39.478 1.00 0.00 H new ATOM 0 HB2 PHE A 33 116.351 65.939 39.451 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.729 65.737 40.082 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.079 64.211 40.950 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.603 66.362 42.344 1.00 0.00 H new ATOM 0 HE1 PHE A 33 118.987 64.175 43.272 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.511 66.323 44.665 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.704 65.232 45.129 1.00 0.00 H new ATOM 527 N ALA A 34 113.569 63.245 40.517 1.00 0.00 N ATOM 528 CA ALA A 34 112.683 62.398 41.365 1.00 0.00 C ATOM 529 C ALA A 34 112.830 60.929 40.967 1.00 0.00 C ATOM 530 O ALA A 34 112.810 60.043 41.799 1.00 0.00 O ATOM 531 CB ALA A 34 111.265 62.892 41.071 1.00 0.00 C ATOM 0 H ALA A 34 113.103 64.016 40.038 1.00 0.00 H new ATOM 0 HA ALA A 34 112.928 62.470 42.425 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.550 62.316 41.659 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.185 63.947 41.334 1.00 0.00 H new ATOM 0 HB3 ALA A 34 111.048 62.765 40.010 1.00 0.00 H new ATOM 537 N VAL A 35 112.983 60.665 39.697 1.00 0.00 N ATOM 538 CA VAL A 35 113.136 59.262 39.237 1.00 0.00 C ATOM 539 C VAL A 35 114.572 58.789 39.475 1.00 0.00 C ATOM 540 O VAL A 35 114.816 57.641 39.783 1.00 0.00 O ATOM 541 CB VAL A 35 112.822 59.317 37.742 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.101 57.956 37.109 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.350 59.680 37.544 1.00 0.00 C ATOM 0 H VAL A 35 113.008 61.367 38.958 1.00 0.00 H new ATOM 0 HA VAL A 35 112.485 58.567 39.767 1.00 0.00 H new ATOM 0 HB VAL A 35 113.450 60.071 37.268 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.876 57.998 36.043 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.151 57.698 37.249 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.475 57.199 37.582 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.125 59.719 36.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.722 58.926 38.020 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.152 60.653 37.993 1.00 0.00 H new ATOM 553 N GLU A 36 115.525 59.667 39.333 1.00 0.00 N ATOM 554 CA GLU A 36 116.942 59.277 39.548 1.00 0.00 C ATOM 555 C GLU A 36 117.235 59.198 41.054 1.00 0.00 C ATOM 556 O GLU A 36 118.156 58.529 41.483 1.00 0.00 O ATOM 557 CB GLU A 36 117.736 60.400 38.858 1.00 0.00 C ATOM 558 CG GLU A 36 119.156 60.488 39.418 1.00 0.00 C ATOM 559 CD GLU A 36 120.137 60.795 38.284 1.00 0.00 C ATOM 560 OE1 GLU A 36 120.023 61.860 37.700 1.00 0.00 O ATOM 561 OE2 GLU A 36 120.986 59.960 38.019 1.00 0.00 O ATOM 0 H GLU A 36 115.380 60.643 39.076 1.00 0.00 H new ATOM 0 HA GLU A 36 117.199 58.297 39.145 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.775 60.216 37.784 1.00 0.00 H new ATOM 0 HB3 GLU A 36 117.225 61.352 39.000 1.00 0.00 H new ATOM 0 HG2 GLU A 36 119.210 61.266 40.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.426 59.549 39.902 1.00 0.00 H new ATOM 568 N TYR A 37 116.461 59.876 41.857 1.00 0.00 N ATOM 569 CA TYR A 37 116.699 59.843 43.329 1.00 0.00 C ATOM 570 C TYR A 37 116.125 58.560 43.940 1.00 0.00 C ATOM 571 O TYR A 37 116.847 57.738 44.467 1.00 0.00 O ATOM 572 CB TYR A 37 115.965 61.067 43.875 1.00 0.00 C ATOM 573 CG TYR A 37 116.175 61.156 45.368 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.485 61.148 45.898 1.00 0.00 C ATOM 575 CD2 TYR A 37 115.064 61.245 46.235 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.683 61.231 47.295 1.00 0.00 C ATOM 577 CE2 TYR A 37 115.261 61.328 47.631 1.00 0.00 C ATOM 578 CZ TYR A 37 116.571 61.321 48.162 1.00 0.00 C ATOM 579 OH TYR A 37 116.764 61.403 49.526 1.00 0.00 O ATOM 0 H TYR A 37 115.674 60.452 41.558 1.00 0.00 H new ATOM 0 HA TYR A 37 117.762 59.858 43.571 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.334 61.971 43.391 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.901 60.996 43.650 1.00 0.00 H new ATOM 0 HD1 TYR A 37 118.335 61.078 45.235 1.00 0.00 H new ATOM 0 HD2 TYR A 37 114.063 61.250 45.830 1.00 0.00 H new ATOM 0 HE1 TYR A 37 118.684 61.226 47.700 1.00 0.00 H new ATOM 0 HE2 TYR A 37 114.411 61.397 48.293 1.00 0.00 H new ATOM 0 HH TYR A 37 117.529 61.986 49.714 1.00 0.00 H new ATOM 589 N PHE A 38 114.833 58.386 43.881 1.00 0.00 N ATOM 590 CA PHE A 38 114.218 57.160 44.469 1.00 0.00 C ATOM 591 C PHE A 38 114.785 55.902 43.803 1.00 0.00 C ATOM 592 O PHE A 38 115.176 54.963 44.469 1.00 0.00 O ATOM 593 CB PHE A 38 112.721 57.292 44.188 1.00 0.00 C ATOM 594 CG PHE A 38 112.115 58.290 45.147 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.389 58.196 46.530 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.275 59.319 44.663 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.824 59.128 47.428 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.710 60.252 45.561 1.00 0.00 C ATOM 599 CZ PHE A 38 110.984 60.157 46.943 1.00 0.00 C ATOM 0 H PHE A 38 114.177 59.038 43.452 1.00 0.00 H new ATOM 0 HA PHE A 38 114.425 57.069 45.535 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.560 57.616 43.160 1.00 0.00 H new ATOM 0 HB3 PHE A 38 112.233 56.324 44.297 1.00 0.00 H new ATOM 0 HD1 PHE A 38 113.031 57.411 46.901 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.065 59.392 43.606 1.00 0.00 H new ATOM 0 HE1 PHE A 38 112.033 59.055 48.485 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.069 61.038 45.190 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.552 60.870 47.629 1.00 0.00 H new ATOM 609 N THR A 39 114.834 55.869 42.498 1.00 0.00 N ATOM 610 CA THR A 39 115.378 54.663 41.806 1.00 0.00 C ATOM 611 C THR A 39 116.759 54.315 42.366 1.00 0.00 C ATOM 612 O THR A 39 117.021 53.189 42.739 1.00 0.00 O ATOM 613 CB THR A 39 115.478 55.055 40.333 1.00 0.00 C ATOM 614 OG1 THR A 39 114.177 55.313 39.824 1.00 0.00 O ATOM 615 CG2 THR A 39 116.117 53.913 39.541 1.00 0.00 C ATOM 0 H THR A 39 114.523 56.621 41.883 1.00 0.00 H new ATOM 0 HA THR A 39 114.746 53.786 41.947 1.00 0.00 H new ATOM 0 HB THR A 39 116.092 55.950 40.237 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.962 56.262 39.940 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.188 54.194 38.490 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.115 53.713 39.931 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.504 53.017 39.636 1.00 0.00 H new ATOM 623 N ARG A 40 117.644 55.272 42.434 1.00 0.00 N ATOM 624 CA ARG A 40 119.002 54.988 42.979 1.00 0.00 C ATOM 625 C ARG A 40 118.887 54.462 44.411 1.00 0.00 C ATOM 626 O ARG A 40 119.735 53.734 44.887 1.00 0.00 O ATOM 627 CB ARG A 40 119.729 56.333 42.956 1.00 0.00 C ATOM 628 CG ARG A 40 120.560 56.441 41.675 1.00 0.00 C ATOM 629 CD ARG A 40 121.636 57.514 41.855 1.00 0.00 C ATOM 630 NE ARG A 40 122.703 57.153 40.881 1.00 0.00 N ATOM 631 CZ ARG A 40 123.698 57.971 40.671 1.00 0.00 C ATOM 632 NH1 ARG A 40 123.497 59.091 40.032 1.00 0.00 N ATOM 633 NH2 ARG A 40 124.893 57.670 41.100 1.00 0.00 N ATOM 0 H ARG A 40 117.486 56.235 42.137 1.00 0.00 H new ATOM 0 HA ARG A 40 119.534 54.232 42.401 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.008 57.149 43.005 1.00 0.00 H new ATOM 0 HB3 ARG A 40 120.374 56.425 43.830 1.00 0.00 H new ATOM 0 HG2 ARG A 40 121.023 55.481 41.447 1.00 0.00 H new ATOM 0 HG3 ARG A 40 119.917 56.693 40.832 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.239 58.509 41.655 1.00 0.00 H new ATOM 0 HD3 ARG A 40 122.019 57.522 42.876 1.00 0.00 H new ATOM 0 HE ARG A 40 122.656 56.267 40.378 1.00 0.00 H new ATOM 0 HH11 ARG A 40 122.563 59.327 39.697 1.00 0.00 H new ATOM 0 HH12 ARG A 40 124.274 59.731 39.867 1.00 0.00 H new ATOM 0 HH21 ARG A 40 125.050 56.795 41.600 1.00 0.00 H new ATOM 0 HH22 ARG A 40 125.670 58.310 40.935 1.00 0.00 H new ATOM 647 N LEU A 41 117.839 54.826 45.099 1.00 0.00 N ATOM 648 CA LEU A 41 117.662 54.347 46.500 1.00 0.00 C ATOM 649 C LEU A 41 117.556 52.821 46.525 1.00 0.00 C ATOM 650 O LEU A 41 118.108 52.164 47.386 1.00 0.00 O ATOM 651 CB LEU A 41 116.354 54.981 46.971 1.00 0.00 C ATOM 652 CG LEU A 41 116.527 55.509 48.396 1.00 0.00 C ATOM 653 CD1 LEU A 41 117.473 56.710 48.383 1.00 0.00 C ATOM 654 CD2 LEU A 41 115.165 55.940 48.947 1.00 0.00 C ATOM 0 H LEU A 41 117.098 55.434 44.752 1.00 0.00 H new ATOM 0 HA LEU A 41 118.501 54.619 47.140 1.00 0.00 H new ATOM 0 HB2 LEU A 41 116.070 55.794 46.303 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.549 54.246 46.939 1.00 0.00 H new ATOM 0 HG LEU A 41 116.944 54.724 49.027 1.00 0.00 H new ATOM 0 HD11 LEU A 41 117.597 57.087 49.398 1.00 0.00 H new ATOM 0 HD12 LEU A 41 118.442 56.405 47.988 1.00 0.00 H new ATOM 0 HD13 LEU A 41 117.055 57.495 47.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 115.286 56.317 49.963 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.749 56.725 48.316 1.00 0.00 H new ATOM 0 HD23 LEU A 41 114.489 55.085 48.955 1.00 0.00 H new ATOM 666 N ARG A 42 116.850 52.253 45.586 1.00 0.00 N ATOM 667 CA ARG A 42 116.706 50.768 45.554 1.00 0.00 C ATOM 668 C ARG A 42 118.084 50.101 45.604 1.00 0.00 C ATOM 669 O ARG A 42 118.407 49.389 46.534 1.00 0.00 O ATOM 670 CB ARG A 42 116.014 50.467 44.224 1.00 0.00 C ATOM 671 CG ARG A 42 114.629 49.871 44.487 1.00 0.00 C ATOM 672 CD ARG A 42 113.556 50.811 43.933 1.00 0.00 C ATOM 673 NE ARG A 42 113.190 50.237 42.608 1.00 0.00 N ATOM 674 CZ ARG A 42 113.896 50.535 41.551 1.00 0.00 C ATOM 675 NH1 ARG A 42 113.672 51.650 40.910 1.00 0.00 N ATOM 676 NH2 ARG A 42 114.824 49.717 41.134 1.00 0.00 N ATOM 0 H ARG A 42 116.366 52.752 44.839 1.00 0.00 H new ATOM 0 HA ARG A 42 116.139 50.390 46.405 1.00 0.00 H new ATOM 0 HB2 ARG A 42 115.922 51.380 43.636 1.00 0.00 H new ATOM 0 HB3 ARG A 42 116.615 49.771 43.639 1.00 0.00 H new ATOM 0 HG2 ARG A 42 114.548 48.891 44.016 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.482 49.724 45.557 1.00 0.00 H new ATOM 0 HD2 ARG A 42 112.692 50.858 44.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 113.936 51.828 43.832 1.00 0.00 H new ATOM 0 HE ARG A 42 112.388 49.612 42.527 1.00 0.00 H new ATOM 0 HH11 ARG A 42 112.946 52.288 41.235 1.00 0.00 H new ATOM 0 HH12 ARG A 42 114.223 51.883 40.084 1.00 0.00 H new ATOM 0 HH21 ARG A 42 114.997 48.845 41.634 1.00 0.00 H new ATOM 0 HH22 ARG A 42 115.376 49.950 40.308 1.00 0.00 H new ATOM 690 N GLU A 43 118.900 50.329 44.610 1.00 0.00 N ATOM 691 CA GLU A 43 120.256 49.709 44.601 1.00 0.00 C ATOM 692 C GLU A 43 121.075 50.208 45.796 1.00 0.00 C ATOM 693 O GLU A 43 122.044 49.592 46.197 1.00 0.00 O ATOM 694 CB GLU A 43 120.891 50.166 43.288 1.00 0.00 C ATOM 695 CG GLU A 43 120.590 49.145 42.191 1.00 0.00 C ATOM 696 CD GLU A 43 121.421 49.469 40.948 1.00 0.00 C ATOM 697 OE1 GLU A 43 121.659 50.642 40.709 1.00 0.00 O ATOM 698 OE2 GLU A 43 121.807 48.540 40.258 1.00 0.00 O ATOM 0 H GLU A 43 118.686 50.917 43.805 1.00 0.00 H new ATOM 0 HA GLU A 43 120.214 48.623 44.677 1.00 0.00 H new ATOM 0 HB2 GLU A 43 120.502 51.144 43.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.968 50.275 43.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 120.820 48.139 42.543 1.00 0.00 H new ATOM 0 HG3 GLU A 43 119.528 49.162 41.946 1.00 0.00 H new ATOM 705 N ALA A 44 120.694 51.318 46.369 1.00 0.00 N ATOM 706 CA ALA A 44 121.452 51.853 47.537 1.00 0.00 C ATOM 707 C ALA A 44 121.309 50.922 48.737 1.00 0.00 C ATOM 708 O ALA A 44 122.279 50.425 49.274 1.00 0.00 O ATOM 709 CB ALA A 44 120.800 53.197 47.853 1.00 0.00 C ATOM 0 H ALA A 44 119.892 51.877 46.079 1.00 0.00 H new ATOM 0 HA ALA A 44 122.516 51.945 47.319 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.304 53.655 48.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.882 53.854 46.987 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.748 53.043 48.094 1.00 0.00 H new ATOM 715 N ARG A 45 120.100 50.701 49.175 1.00 0.00 N ATOM 716 CA ARG A 45 119.880 49.822 50.355 1.00 0.00 C ATOM 717 C ARG A 45 120.659 48.510 50.213 1.00 0.00 C ATOM 718 O ARG A 45 121.214 47.999 51.166 1.00 0.00 O ATOM 719 CB ARG A 45 118.376 49.552 50.377 1.00 0.00 C ATOM 720 CG ARG A 45 117.950 49.144 51.788 1.00 0.00 C ATOM 721 CD ARG A 45 117.365 50.355 52.517 1.00 0.00 C ATOM 722 NE ARG A 45 116.402 49.786 53.498 1.00 0.00 N ATOM 723 CZ ARG A 45 115.151 50.161 53.478 1.00 0.00 C ATOM 724 NH1 ARG A 45 114.781 51.236 54.116 1.00 0.00 N ATOM 725 NH2 ARG A 45 114.271 49.458 52.817 1.00 0.00 N ATOM 0 H ARG A 45 119.253 51.093 48.764 1.00 0.00 H new ATOM 0 HA ARG A 45 120.227 50.289 51.277 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.831 50.443 50.065 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.127 48.762 49.668 1.00 0.00 H new ATOM 0 HG2 ARG A 45 117.211 48.344 51.739 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.806 48.754 52.339 1.00 0.00 H new ATOM 0 HD2 ARG A 45 118.145 50.929 53.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 116.867 51.031 51.822 1.00 0.00 H new ATOM 0 HE ARG A 45 116.719 49.103 54.186 1.00 0.00 H new ATOM 0 HH11 ARG A 45 115.469 51.785 54.632 1.00 0.00 H new ATOM 0 HH12 ARG A 45 113.804 51.528 54.100 1.00 0.00 H new ATOM 0 HH21 ARG A 45 114.561 48.617 52.317 1.00 0.00 H new ATOM 0 HH22 ARG A 45 113.294 49.750 52.800 1.00 0.00 H new ATOM 739 N ARG A 46 120.704 47.961 49.031 1.00 0.00 N ATOM 740 CA ARG A 46 121.445 46.683 48.830 1.00 0.00 C ATOM 741 C ARG A 46 121.662 46.426 47.336 1.00 0.00 C ATOM 742 O ARG A 46 122.768 46.647 46.871 1.00 0.00 O ATOM 743 CB ARG A 46 120.544 45.605 49.435 1.00 0.00 C ATOM 744 CG ARG A 46 121.311 44.285 49.525 1.00 0.00 C ATOM 745 CD ARG A 46 120.396 43.133 49.107 1.00 0.00 C ATOM 746 NE ARG A 46 120.199 42.329 50.345 1.00 0.00 N ATOM 747 CZ ARG A 46 120.772 41.162 50.464 1.00 0.00 C ATOM 748 NH1 ARG A 46 122.048 41.034 50.224 1.00 0.00 N ATOM 749 NH2 ARG A 46 120.068 40.124 50.825 1.00 0.00 N ATOM 750 OXT ARG A 46 120.719 46.011 46.683 1.00 0.00 O ATOM 0 H ARG A 46 120.260 48.341 48.195 1.00 0.00 H new ATOM 0 HA ARG A 46 122.431 46.699 49.295 1.00 0.00 H new ATOM 0 HB2 ARG A 46 120.209 45.911 50.426 1.00 0.00 H new ATOM 0 HB3 ARG A 46 119.651 45.477 48.823 1.00 0.00 H new ATOM 0 HG2 ARG A 46 122.189 44.318 48.880 1.00 0.00 H new ATOM 0 HG3 ARG A 46 121.668 44.129 50.543 1.00 0.00 H new ATOM 0 HD2 ARG A 46 119.446 43.503 48.722 1.00 0.00 H new ATOM 0 HD3 ARG A 46 120.850 42.535 48.316 1.00 0.00 H new ATOM 0 HE ARG A 46 119.616 42.690 51.100 1.00 0.00 H new ATOM 0 HH11 ARG A 46 122.598 41.846 49.943 1.00 0.00 H new ATOM 0 HH12 ARG A 46 122.495 40.122 50.317 1.00 0.00 H new ATOM 0 HH21 ARG A 46 119.071 40.225 51.014 1.00 0.00 H new ATOM 0 HH22 ARG A 46 120.515 39.212 50.918 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 124.109 89.797 38.732 1.00 0.00 N ATOM 766 CA HIS B 1 122.696 89.523 39.124 1.00 0.00 C ATOM 767 C HIS B 1 121.985 88.738 38.018 1.00 0.00 C ATOM 768 O HIS B 1 121.393 89.308 37.123 1.00 0.00 O ATOM 769 CB HIS B 1 122.058 90.901 39.297 1.00 0.00 C ATOM 770 CG HIS B 1 122.132 91.311 40.742 1.00 0.00 C ATOM 771 ND1 HIS B 1 122.944 92.347 41.176 1.00 0.00 N ATOM 772 CD2 HIS B 1 121.504 90.832 41.865 1.00 0.00 C ATOM 773 CE1 HIS B 1 122.784 92.458 42.507 1.00 0.00 C ATOM 774 NE2 HIS B 1 121.917 91.557 42.978 1.00 0.00 N ATOM 0 H1 HIS B 1 124.582 90.330 39.489 1.00 0.00 H new ATOM 0 H2 HIS B 1 124.607 88.897 38.578 1.00 0.00 H new ATOM 0 H3 HIS B 1 124.124 90.355 37.855 1.00 0.00 H new ATOM 0 HA HIS B 1 122.628 88.926 40.033 1.00 0.00 H new ATOM 0 HB2 HIS B 1 122.573 91.632 38.674 1.00 0.00 H new ATOM 0 HB3 HIS B 1 121.019 90.876 38.968 1.00 0.00 H new ATOM 0 HD2 HIS B 1 120.797 90.016 41.882 1.00 0.00 H new ATOM 0 HE1 HIS B 1 123.294 93.186 43.120 1.00 0.00 H new ATOM 0 HE2 HIS B 1 121.621 91.428 43.946 1.00 0.00 H new ATOM 784 N MET B 2 122.038 87.435 38.073 1.00 0.00 N ATOM 785 CA MET B 2 121.364 86.620 37.023 1.00 0.00 C ATOM 786 C MET B 2 120.723 85.374 37.642 1.00 0.00 C ATOM 787 O MET B 2 120.452 84.403 36.965 1.00 0.00 O ATOM 788 CB MET B 2 122.479 86.222 36.055 1.00 0.00 C ATOM 789 CG MET B 2 123.577 85.478 36.816 1.00 0.00 C ATOM 790 SD MET B 2 124.782 84.813 35.642 1.00 0.00 S ATOM 791 CE MET B 2 123.798 83.402 35.080 1.00 0.00 C ATOM 0 H MET B 2 122.518 86.901 38.798 1.00 0.00 H new ATOM 0 HA MET B 2 120.566 87.171 36.525 1.00 0.00 H new ATOM 0 HB2 MET B 2 122.078 85.589 35.263 1.00 0.00 H new ATOM 0 HB3 MET B 2 122.892 87.109 35.575 1.00 0.00 H new ATOM 0 HG2 MET B 2 124.070 86.153 37.516 1.00 0.00 H new ATOM 0 HG3 MET B 2 123.143 84.670 37.404 1.00 0.00 H new ATOM 0 HE1 MET B 2 124.324 82.476 35.312 1.00 0.00 H new ATOM 0 HE2 MET B 2 122.832 83.407 35.585 1.00 0.00 H new ATOM 0 HE3 MET B 2 123.644 83.471 34.003 1.00 0.00 H new ATOM 801 N GLY B 3 120.480 85.393 38.924 1.00 0.00 N ATOM 802 CA GLY B 3 119.858 84.208 39.581 1.00 0.00 C ATOM 803 C GLY B 3 119.209 84.633 40.899 1.00 0.00 C ATOM 804 O GLY B 3 119.694 85.510 41.586 1.00 0.00 O ATOM 0 H GLY B 3 120.685 86.176 39.544 1.00 0.00 H new ATOM 0 HA2 GLY B 3 119.111 83.765 38.922 1.00 0.00 H new ATOM 0 HA3 GLY B 3 120.613 83.444 39.766 1.00 0.00 H new ATOM 808 N HIS B 4 118.115 84.017 41.259 1.00 0.00 N ATOM 809 CA HIS B 4 117.437 84.386 42.534 1.00 0.00 C ATOM 810 C HIS B 4 117.188 83.138 43.385 1.00 0.00 C ATOM 811 O HIS B 4 117.171 82.029 42.889 1.00 0.00 O ATOM 812 CB HIS B 4 116.112 85.018 42.110 1.00 0.00 C ATOM 813 CG HIS B 4 116.313 86.489 41.870 1.00 0.00 C ATOM 814 ND1 HIS B 4 116.561 87.006 40.608 1.00 0.00 N ATOM 815 CD2 HIS B 4 116.306 87.567 42.722 1.00 0.00 C ATOM 816 CE1 HIS B 4 116.692 88.339 40.734 1.00 0.00 C ATOM 817 NE2 HIS B 4 116.546 88.734 42.001 1.00 0.00 N ATOM 0 H HIS B 4 117.662 83.275 40.725 1.00 0.00 H new ATOM 0 HA HIS B 4 118.039 85.065 43.138 1.00 0.00 H new ATOM 0 HB2 HIS B 4 115.741 84.538 41.204 1.00 0.00 H new ATOM 0 HB3 HIS B 4 115.359 84.864 42.883 1.00 0.00 H new ATOM 0 HD2 HIS B 4 116.140 87.517 43.788 1.00 0.00 H new ATOM 0 HE1 HIS B 4 116.891 89.008 39.910 1.00 0.00 H new ATOM 0 HE2 HIS B 4 116.599 89.686 42.363 1.00 0.00 H new ATOM 825 N ILE B 5 116.995 83.311 44.664 1.00 0.00 N ATOM 826 CA ILE B 5 116.746 82.135 45.547 1.00 0.00 C ATOM 827 C ILE B 5 115.320 82.183 46.102 1.00 0.00 C ATOM 828 O ILE B 5 115.051 82.826 47.096 1.00 0.00 O ATOM 829 CB ILE B 5 117.765 82.269 46.677 1.00 0.00 C ATOM 830 CG1 ILE B 5 119.180 82.232 46.095 1.00 0.00 C ATOM 831 CG2 ILE B 5 117.590 81.111 47.661 1.00 0.00 C ATOM 832 CD1 ILE B 5 119.607 83.648 45.702 1.00 0.00 C ATOM 0 H ILE B 5 116.999 84.215 45.136 1.00 0.00 H new ATOM 0 HA ILE B 5 116.848 81.189 45.015 1.00 0.00 H new ATOM 0 HB ILE B 5 117.609 83.215 47.196 1.00 0.00 H new ATOM 0 HG12 ILE B 5 119.875 81.821 46.827 1.00 0.00 H new ATOM 0 HG13 ILE B 5 119.210 81.577 45.224 1.00 0.00 H new ATOM 0 HG21 ILE B 5 118.317 81.206 48.468 1.00 0.00 H new ATOM 0 HG22 ILE B 5 116.582 81.135 48.076 1.00 0.00 H new ATOM 0 HG23 ILE B 5 117.746 80.165 47.142 1.00 0.00 H new ATOM 0 HD11 ILE B 5 120.615 83.622 45.287 1.00 0.00 H new ATOM 0 HD12 ILE B 5 118.917 84.042 44.955 1.00 0.00 H new ATOM 0 HD13 ILE B 5 119.593 84.290 46.583 1.00 0.00 H new ATOM 844 N GLN B 6 114.402 81.506 45.466 1.00 0.00 N ATOM 845 CA GLN B 6 112.995 81.514 45.958 1.00 0.00 C ATOM 846 C GLN B 6 112.318 80.175 45.652 1.00 0.00 C ATOM 847 O GLN B 6 112.855 79.344 44.947 1.00 0.00 O ATOM 848 CB GLN B 6 112.315 82.648 45.191 1.00 0.00 C ATOM 849 CG GLN B 6 112.669 83.988 45.839 1.00 0.00 C ATOM 850 CD GLN B 6 111.476 84.939 45.732 1.00 0.00 C ATOM 851 OE1 GLN B 6 110.393 84.534 45.354 1.00 0.00 O ATOM 852 NE2 GLN B 6 111.628 86.195 46.050 1.00 0.00 N ATOM 0 H GLN B 6 114.566 80.948 44.628 1.00 0.00 H new ATOM 0 HA GLN B 6 112.935 81.658 47.037 1.00 0.00 H new ATOM 0 HB2 GLN B 6 112.636 82.640 44.149 1.00 0.00 H new ATOM 0 HB3 GLN B 6 111.234 82.505 45.193 1.00 0.00 H new ATOM 0 HG2 GLN B 6 112.936 83.839 46.885 1.00 0.00 H new ATOM 0 HG3 GLN B 6 113.539 84.423 45.347 1.00 0.00 H new ATOM 0 HE21 GLN B 6 112.536 86.535 46.367 1.00 0.00 H new ATOM 0 HE22 GLN B 6 110.839 86.837 45.982 1.00 0.00 H new ATOM 861 N ILE B 7 111.141 79.963 46.174 1.00 0.00 N ATOM 862 CA ILE B 7 110.429 78.679 45.913 1.00 0.00 C ATOM 863 C ILE B 7 109.665 78.757 44.583 1.00 0.00 C ATOM 864 O ILE B 7 108.768 79.566 44.441 1.00 0.00 O ATOM 865 CB ILE B 7 109.453 78.526 47.079 1.00 0.00 C ATOM 866 CG1 ILE B 7 110.224 78.554 48.402 1.00 0.00 C ATOM 867 CG2 ILE B 7 108.710 77.195 46.950 1.00 0.00 C ATOM 868 CD1 ILE B 7 111.271 77.437 48.411 1.00 0.00 C ATOM 0 H ILE B 7 110.641 80.623 46.770 1.00 0.00 H new ATOM 0 HA ILE B 7 111.114 77.835 45.838 1.00 0.00 H new ATOM 0 HB ILE B 7 108.736 79.347 47.061 1.00 0.00 H new ATOM 0 HG12 ILE B 7 110.709 79.522 48.531 1.00 0.00 H new ATOM 0 HG13 ILE B 7 109.536 78.428 49.238 1.00 0.00 H new ATOM 0 HG21 ILE B 7 108.014 77.085 47.781 1.00 0.00 H new ATOM 0 HG22 ILE B 7 108.159 77.176 46.010 1.00 0.00 H new ATOM 0 HG23 ILE B 7 109.428 76.375 46.967 1.00 0.00 H new ATOM 0 HD11 ILE B 7 111.818 77.459 49.353 1.00 0.00 H new ATOM 0 HD12 ILE B 7 110.775 76.473 48.302 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.966 77.583 47.584 1.00 0.00 H new ATOM 880 N PRO B 8 110.038 77.917 43.646 1.00 0.00 N ATOM 881 CA PRO B 8 109.362 77.913 42.326 1.00 0.00 C ATOM 882 C PRO B 8 107.950 77.324 42.449 1.00 0.00 C ATOM 883 O PRO B 8 107.716 76.448 43.258 1.00 0.00 O ATOM 884 CB PRO B 8 110.252 77.022 41.466 1.00 0.00 C ATOM 885 CG PRO B 8 110.956 76.134 42.435 1.00 0.00 C ATOM 886 CD PRO B 8 111.103 76.908 43.718 1.00 0.00 C ATOM 0 HA PRO B 8 109.238 78.911 41.906 1.00 0.00 H new ATOM 0 HB2 PRO B 8 109.662 76.443 40.755 1.00 0.00 H new ATOM 0 HB3 PRO B 8 110.960 77.613 40.885 1.00 0.00 H new ATOM 0 HG2 PRO B 8 110.389 75.218 42.600 1.00 0.00 H new ATOM 0 HG3 PRO B 8 111.932 75.839 42.049 1.00 0.00 H new ATOM 0 HD2 PRO B 8 110.985 76.264 44.589 1.00 0.00 H new ATOM 0 HD3 PRO B 8 112.087 77.371 43.795 1.00 0.00 H new ATOM 894 N PRO B 9 107.049 77.827 41.641 1.00 0.00 N ATOM 895 CA PRO B 9 105.647 77.338 41.672 1.00 0.00 C ATOM 896 C PRO B 9 105.547 75.954 41.023 1.00 0.00 C ATOM 897 O PRO B 9 106.221 75.659 40.057 1.00 0.00 O ATOM 898 CB PRO B 9 104.888 78.377 40.852 1.00 0.00 C ATOM 899 CG PRO B 9 105.909 78.981 39.940 1.00 0.00 C ATOM 900 CD PRO B 9 107.242 78.883 40.637 1.00 0.00 C ATOM 0 HA PRO B 9 105.254 77.228 42.683 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.078 77.917 40.286 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.438 79.133 41.495 1.00 0.00 H new ATOM 0 HG2 PRO B 9 105.934 78.453 38.987 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.664 80.021 39.723 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.039 78.627 39.938 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.518 79.829 41.103 1.00 0.00 H new ATOM 908 N GLY B 10 104.707 75.101 41.547 1.00 0.00 N ATOM 909 CA GLY B 10 104.561 73.740 40.957 1.00 0.00 C ATOM 910 C GLY B 10 105.307 72.718 41.818 1.00 0.00 C ATOM 911 O GLY B 10 105.039 71.533 41.761 1.00 0.00 O ATOM 0 H GLY B 10 104.117 75.289 42.357 1.00 0.00 H new ATOM 0 HA2 GLY B 10 103.506 73.473 40.892 1.00 0.00 H new ATOM 0 HA3 GLY B 10 104.956 73.730 39.941 1.00 0.00 H new ATOM 915 N LEU B 11 106.242 73.160 42.614 1.00 0.00 N ATOM 916 CA LEU B 11 107.002 72.206 43.473 1.00 0.00 C ATOM 917 C LEU B 11 106.103 71.653 44.582 1.00 0.00 C ATOM 918 O LEU B 11 105.990 70.457 44.763 1.00 0.00 O ATOM 919 CB LEU B 11 108.143 73.031 44.068 1.00 0.00 C ATOM 920 CG LEU B 11 108.956 72.160 45.027 1.00 0.00 C ATOM 921 CD1 LEU B 11 109.791 71.159 44.225 1.00 0.00 C ATOM 922 CD2 LEU B 11 109.886 73.048 45.857 1.00 0.00 C ATOM 0 H LEU B 11 106.513 74.139 42.707 1.00 0.00 H new ATOM 0 HA LEU B 11 107.369 71.348 42.909 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.784 73.411 43.273 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.743 73.897 44.596 1.00 0.00 H new ATOM 0 HG LEU B 11 108.279 71.620 45.690 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.370 70.538 44.909 1.00 0.00 H new ATOM 0 HD12 LEU B 11 109.130 70.527 43.632 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.468 71.698 43.562 1.00 0.00 H new ATOM 0 HD21 LEU B 11 110.466 72.428 46.541 1.00 0.00 H new ATOM 0 HD22 LEU B 11 110.562 73.587 45.193 1.00 0.00 H new ATOM 0 HD23 LEU B 11 109.293 73.762 46.429 1.00 0.00 H new ATOM 934 N THR B 12 105.466 72.512 45.329 1.00 0.00 N ATOM 935 CA THR B 12 104.580 72.032 46.429 1.00 0.00 C ATOM 936 C THR B 12 103.448 71.170 45.862 1.00 0.00 C ATOM 937 O THR B 12 103.192 70.078 46.329 1.00 0.00 O ATOM 938 CB THR B 12 104.016 73.301 47.068 1.00 0.00 C ATOM 939 OG1 THR B 12 105.088 74.124 47.508 1.00 0.00 O ATOM 940 CG2 THR B 12 103.134 72.926 48.261 1.00 0.00 C ATOM 0 H THR B 12 105.520 73.525 45.226 1.00 0.00 H new ATOM 0 HA THR B 12 105.118 71.416 47.150 1.00 0.00 H new ATOM 0 HB THR B 12 103.419 73.843 46.335 1.00 0.00 H new ATOM 0 HG1 THR B 12 104.728 74.939 47.916 1.00 0.00 H new ATOM 0 HG21 THR B 12 102.733 73.832 48.716 1.00 0.00 H new ATOM 0 HG22 THR B 12 102.312 72.295 47.922 1.00 0.00 H new ATOM 0 HG23 THR B 12 103.728 72.384 48.996 1.00 0.00 H new ATOM 948 N GLU B 13 102.769 71.653 44.860 1.00 0.00 N ATOM 949 CA GLU B 13 101.651 70.865 44.263 1.00 0.00 C ATOM 950 C GLU B 13 102.130 69.459 43.889 1.00 0.00 C ATOM 951 O GLU B 13 101.472 68.476 44.164 1.00 0.00 O ATOM 952 CB GLU B 13 101.243 71.643 43.011 1.00 0.00 C ATOM 953 CG GLU B 13 99.978 71.023 42.416 1.00 0.00 C ATOM 954 CD GLU B 13 99.496 71.877 41.242 1.00 0.00 C ATOM 955 OE1 GLU B 13 98.795 72.844 41.488 1.00 0.00 O ATOM 956 OE2 GLU B 13 99.834 71.548 40.117 1.00 0.00 O ATOM 0 H GLU B 13 102.939 72.561 44.427 1.00 0.00 H new ATOM 0 HA GLU B 13 100.819 70.741 44.956 1.00 0.00 H new ATOM 0 HB2 GLU B 13 101.065 72.689 43.261 1.00 0.00 H new ATOM 0 HB3 GLU B 13 102.050 71.623 42.278 1.00 0.00 H new ATOM 0 HG2 GLU B 13 100.182 70.006 42.081 1.00 0.00 H new ATOM 0 HG3 GLU B 13 99.200 70.958 43.176 1.00 0.00 H new ATOM 963 N LEU B 14 103.270 69.356 43.263 1.00 0.00 N ATOM 964 CA LEU B 14 103.788 68.014 42.871 1.00 0.00 C ATOM 965 C LEU B 14 103.891 67.105 44.099 1.00 0.00 C ATOM 966 O LEU B 14 103.363 66.010 44.120 1.00 0.00 O ATOM 967 CB LEU B 14 105.174 68.281 42.282 1.00 0.00 C ATOM 968 CG LEU B 14 105.157 67.988 40.781 1.00 0.00 C ATOM 969 CD1 LEU B 14 106.537 68.278 40.189 1.00 0.00 C ATOM 970 CD2 LEU B 14 104.806 66.516 40.556 1.00 0.00 C ATOM 0 H LEU B 14 103.866 70.143 43.006 1.00 0.00 H new ATOM 0 HA LEU B 14 103.133 67.511 42.160 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.462 69.318 42.457 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.917 67.656 42.777 1.00 0.00 H new ATOM 0 HG LEU B 14 104.413 68.620 40.295 1.00 0.00 H new ATOM 0 HD11 LEU B 14 106.525 68.069 39.119 1.00 0.00 H new ATOM 0 HD12 LEU B 14 106.790 69.326 40.351 1.00 0.00 H new ATOM 0 HD13 LEU B 14 107.281 67.646 40.674 1.00 0.00 H new ATOM 0 HD21 LEU B 14 104.793 66.304 39.487 1.00 0.00 H new ATOM 0 HD22 LEU B 14 105.551 65.886 41.042 1.00 0.00 H new ATOM 0 HD23 LEU B 14 103.823 66.308 40.979 1.00 0.00 H new ATOM 982 N LEU B 15 104.568 67.549 45.121 1.00 0.00 N ATOM 983 CA LEU B 15 104.705 66.708 46.345 1.00 0.00 C ATOM 984 C LEU B 15 103.329 66.460 46.967 1.00 0.00 C ATOM 985 O LEU B 15 102.979 65.342 47.293 1.00 0.00 O ATOM 986 CB LEU B 15 105.589 67.521 47.291 1.00 0.00 C ATOM 987 CG LEU B 15 106.956 67.745 46.643 1.00 0.00 C ATOM 988 CD1 LEU B 15 107.734 68.795 47.439 1.00 0.00 C ATOM 989 CD2 LEU B 15 107.740 66.429 46.637 1.00 0.00 C ATOM 0 H LEU B 15 105.032 68.456 45.163 1.00 0.00 H new ATOM 0 HA LEU B 15 105.137 65.731 46.131 1.00 0.00 H new ATOM 0 HB2 LEU B 15 105.118 68.479 47.513 1.00 0.00 H new ATOM 0 HB3 LEU B 15 105.705 66.996 48.239 1.00 0.00 H new ATOM 0 HG LEU B 15 106.818 68.093 45.619 1.00 0.00 H new ATOM 0 HD11 LEU B 15 108.708 68.954 46.977 1.00 0.00 H new ATOM 0 HD12 LEU B 15 107.178 69.732 47.445 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.871 68.447 48.463 1.00 0.00 H new ATOM 0 HD21 LEU B 15 108.714 66.588 46.175 1.00 0.00 H new ATOM 0 HD22 LEU B 15 107.876 66.082 47.661 1.00 0.00 H new ATOM 0 HD23 LEU B 15 107.188 65.679 46.070 1.00 0.00 H new ATOM 1001 N GLN B 16 102.541 67.488 47.128 1.00 0.00 N ATOM 1002 CA GLN B 16 101.185 67.300 47.720 1.00 0.00 C ATOM 1003 C GLN B 16 100.427 66.225 46.939 1.00 0.00 C ATOM 1004 O GLN B 16 99.663 65.460 47.494 1.00 0.00 O ATOM 1005 CB GLN B 16 100.495 68.657 47.580 1.00 0.00 C ATOM 1006 CG GLN B 16 99.935 69.089 48.937 1.00 0.00 C ATOM 1007 CD GLN B 16 99.300 70.475 48.808 1.00 0.00 C ATOM 1008 OE1 GLN B 16 99.360 71.090 47.762 1.00 0.00 O ATOM 1009 NE2 GLN B 16 98.688 70.997 49.837 1.00 0.00 N ATOM 0 H GLN B 16 102.776 68.448 46.876 1.00 0.00 H new ATOM 0 HA GLN B 16 101.224 66.976 48.760 1.00 0.00 H new ATOM 0 HB2 GLN B 16 101.203 69.400 47.214 1.00 0.00 H new ATOM 0 HB3 GLN B 16 99.691 68.594 46.847 1.00 0.00 H new ATOM 0 HG2 GLN B 16 99.194 68.368 49.283 1.00 0.00 H new ATOM 0 HG3 GLN B 16 100.731 69.110 49.681 1.00 0.00 H new ATOM 0 HE21 GLN B 16 98.637 70.481 50.716 1.00 0.00 H new ATOM 0 HE22 GLN B 16 98.261 71.920 49.762 1.00 0.00 H new ATOM 1018 N GLY B 17 100.643 66.155 45.652 1.00 0.00 N ATOM 1019 CA GLY B 17 99.946 65.121 44.837 1.00 0.00 C ATOM 1020 C GLY B 17 100.262 63.742 45.414 1.00 0.00 C ATOM 1021 O GLY B 17 99.377 62.983 45.753 1.00 0.00 O ATOM 0 H GLY B 17 101.271 66.768 45.132 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.870 65.296 44.846 1.00 0.00 H new ATOM 0 HA3 GLY B 17 100.270 65.178 43.798 1.00 0.00 H new ATOM 1025 N TYR B 18 101.525 63.416 45.538 1.00 0.00 N ATOM 1026 CA TYR B 18 101.913 62.091 46.104 1.00 0.00 C ATOM 1027 C TYR B 18 101.125 61.809 47.389 1.00 0.00 C ATOM 1028 O TYR B 18 100.636 60.718 47.605 1.00 0.00 O ATOM 1029 CB TYR B 18 103.402 62.227 46.418 1.00 0.00 C ATOM 1030 CG TYR B 18 104.080 60.899 46.210 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.912 60.212 44.990 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.880 60.343 47.233 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.545 58.964 44.790 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.513 59.096 47.035 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.346 58.406 45.812 1.00 0.00 C ATOM 1036 OH TYR B 18 105.963 57.188 45.618 1.00 0.00 O ATOM 0 H TYR B 18 102.306 64.015 45.270 1.00 0.00 H new ATOM 0 HA TYR B 18 101.705 61.271 45.417 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.853 62.983 45.775 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.539 62.561 47.447 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.300 60.639 44.209 1.00 0.00 H new ATOM 0 HD2 TYR B 18 105.008 60.871 48.166 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.417 58.437 43.856 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.124 58.670 47.817 1.00 0.00 H new ATOM 0 HH TYR B 18 105.393 56.618 45.061 1.00 0.00 H new ATOM 1046 N THR B 19 101.002 62.791 48.237 1.00 0.00 N ATOM 1047 CA THR B 19 100.249 62.596 49.507 1.00 0.00 C ATOM 1048 C THR B 19 98.827 62.109 49.211 1.00 0.00 C ATOM 1049 O THR B 19 98.266 61.316 49.941 1.00 0.00 O ATOM 1050 CB THR B 19 100.218 63.984 50.153 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.465 64.629 49.935 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.966 63.852 51.654 1.00 0.00 C ATOM 0 H THR B 19 101.392 63.724 48.105 1.00 0.00 H new ATOM 0 HA THR B 19 100.709 61.849 50.155 1.00 0.00 H new ATOM 0 HB THR B 19 99.416 64.573 49.708 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.449 65.519 50.345 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.945 64.843 52.108 1.00 0.00 H new ATOM 0 HG22 THR B 19 99.009 63.356 51.820 1.00 0.00 H new ATOM 0 HG23 THR B 19 100.763 63.262 52.106 1.00 0.00 H new ATOM 1060 N VAL B 20 98.239 62.583 48.147 1.00 0.00 N ATOM 1061 CA VAL B 20 96.851 62.154 47.804 1.00 0.00 C ATOM 1062 C VAL B 20 96.872 60.813 47.065 1.00 0.00 C ATOM 1063 O VAL B 20 95.916 60.063 47.097 1.00 0.00 O ATOM 1064 CB VAL B 20 96.310 63.260 46.899 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.865 62.941 46.510 1.00 0.00 C ATOM 1066 CG2 VAL B 20 96.355 64.595 47.646 1.00 0.00 C ATOM 0 H VAL B 20 98.659 63.249 47.499 1.00 0.00 H new ATOM 0 HA VAL B 20 96.233 62.012 48.690 1.00 0.00 H new ATOM 0 HB VAL B 20 96.921 63.325 45.999 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.479 63.730 45.864 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.833 61.990 45.979 1.00 0.00 H new ATOM 0 HG13 VAL B 20 94.252 62.876 47.409 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.969 65.385 47.002 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.743 64.529 48.546 1.00 0.00 H new ATOM 0 HG23 VAL B 20 97.384 64.822 47.923 1.00 0.00 H new ATOM 1076 N GLU B 21 97.953 60.500 46.405 1.00 0.00 N ATOM 1077 CA GLU B 21 98.027 59.197 45.670 1.00 0.00 C ATOM 1078 C GLU B 21 98.474 58.109 46.639 1.00 0.00 C ATOM 1079 O GLU B 21 97.836 57.087 46.794 1.00 0.00 O ATOM 1080 CB GLU B 21 99.088 59.351 44.560 1.00 0.00 C ATOM 1081 CG GLU B 21 99.172 60.795 44.058 1.00 0.00 C ATOM 1082 CD GLU B 21 99.381 60.800 42.541 1.00 0.00 C ATOM 1083 OE1 GLU B 21 99.886 59.814 42.030 1.00 0.00 O ATOM 1084 OE2 GLU B 21 99.031 61.788 41.919 1.00 0.00 O ATOM 0 H GLU B 21 98.787 61.084 46.340 1.00 0.00 H new ATOM 0 HA GLU B 21 97.058 58.931 45.247 1.00 0.00 H new ATOM 0 HB2 GLU B 21 100.061 59.040 44.940 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.844 58.690 43.729 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.258 61.332 44.311 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.994 61.315 44.550 1.00 0.00 H new ATOM 1091 N VAL B 22 99.578 58.335 47.290 1.00 0.00 N ATOM 1092 CA VAL B 22 100.104 57.338 48.259 1.00 0.00 C ATOM 1093 C VAL B 22 99.028 56.981 49.289 1.00 0.00 C ATOM 1094 O VAL B 22 98.891 55.842 49.686 1.00 0.00 O ATOM 1095 CB VAL B 22 101.282 58.045 48.925 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.854 57.157 50.022 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.368 58.323 47.882 1.00 0.00 C ATOM 0 H VAL B 22 100.144 59.177 47.191 1.00 0.00 H new ATOM 0 HA VAL B 22 100.400 56.402 47.784 1.00 0.00 H new ATOM 0 HB VAL B 22 100.941 58.986 49.357 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.695 57.662 50.497 1.00 0.00 H new ATOM 0 HG12 VAL B 22 101.083 56.956 50.766 1.00 0.00 H new ATOM 0 HG13 VAL B 22 102.194 56.216 49.589 1.00 0.00 H new ATOM 0 HG21 VAL B 22 103.209 58.828 48.358 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.707 57.381 47.450 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.962 58.958 47.095 1.00 0.00 H new ATOM 1107 N LEU B 23 98.264 57.946 49.724 1.00 0.00 N ATOM 1108 CA LEU B 23 97.198 57.657 50.727 1.00 0.00 C ATOM 1109 C LEU B 23 96.063 56.862 50.076 1.00 0.00 C ATOM 1110 O LEU B 23 95.518 55.947 50.660 1.00 0.00 O ATOM 1111 CB LEU B 23 96.699 59.028 51.183 1.00 0.00 C ATOM 1112 CG LEU B 23 97.523 59.498 52.383 1.00 0.00 C ATOM 1113 CD1 LEU B 23 97.202 60.965 52.678 1.00 0.00 C ATOM 1114 CD2 LEU B 23 97.174 58.646 53.605 1.00 0.00 C ATOM 0 H LEU B 23 98.331 58.920 49.429 1.00 0.00 H new ATOM 0 HA LEU B 23 97.567 57.060 51.561 1.00 0.00 H new ATOM 0 HB2 LEU B 23 96.782 59.747 50.368 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.644 58.972 51.452 1.00 0.00 H new ATOM 0 HG LEU B 23 98.585 59.395 52.158 1.00 0.00 H new ATOM 0 HD11 LEU B 23 97.789 61.301 53.533 1.00 0.00 H new ATOM 0 HD12 LEU B 23 97.448 61.573 51.808 1.00 0.00 H new ATOM 0 HD13 LEU B 23 96.141 61.067 52.904 1.00 0.00 H new ATOM 0 HD21 LEU B 23 97.761 58.980 54.461 1.00 0.00 H new ATOM 0 HD22 LEU B 23 96.113 58.750 53.830 1.00 0.00 H new ATOM 0 HD23 LEU B 23 97.400 57.600 53.396 1.00 0.00 H new ATOM 1126 N ARG B 24 95.702 57.207 48.870 1.00 0.00 N ATOM 1127 CA ARG B 24 94.601 56.472 48.182 1.00 0.00 C ATOM 1128 C ARG B 24 95.088 55.093 47.725 1.00 0.00 C ATOM 1129 O ARG B 24 94.630 54.074 48.200 1.00 0.00 O ATOM 1130 CB ARG B 24 94.237 57.340 46.977 1.00 0.00 C ATOM 1131 CG ARG B 24 92.908 56.865 46.387 1.00 0.00 C ATOM 1132 CD ARG B 24 91.784 57.799 46.843 1.00 0.00 C ATOM 1133 NE ARG B 24 90.555 56.958 46.833 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.383 57.517 46.695 1.00 0.00 C ATOM 1135 NH1 ARG B 24 89.090 58.154 45.594 1.00 0.00 N ATOM 1136 NH2 ARG B 24 88.505 57.437 47.657 1.00 0.00 N ATOM 0 H ARG B 24 96.121 57.965 48.331 1.00 0.00 H new ATOM 0 HA ARG B 24 93.745 56.304 48.836 1.00 0.00 H new ATOM 0 HB2 ARG B 24 94.160 58.385 47.278 1.00 0.00 H new ATOM 0 HB3 ARG B 24 95.023 57.282 46.224 1.00 0.00 H new ATOM 0 HG2 ARG B 24 92.965 56.852 45.299 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.700 55.844 46.708 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.981 58.197 47.838 1.00 0.00 H new ATOM 0 HD3 ARG B 24 91.684 58.652 46.172 1.00 0.00 H new ATOM 0 HE ARG B 24 90.629 55.946 46.934 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.776 58.215 44.842 1.00 0.00 H new ATOM 0 HH12 ARG B 24 88.175 58.591 45.486 1.00 0.00 H new ATOM 0 HH21 ARG B 24 88.734 56.938 48.517 1.00 0.00 H new ATOM 0 HH22 ARG B 24 87.589 57.874 47.549 1.00 0.00 H new ATOM 1150 N GLN B 25 96.015 55.054 46.807 1.00 0.00 N ATOM 1151 CA GLN B 25 96.529 53.740 46.322 1.00 0.00 C ATOM 1152 C GLN B 25 97.078 52.926 47.497 1.00 0.00 C ATOM 1153 O GLN B 25 97.028 51.712 47.502 1.00 0.00 O ATOM 1154 CB GLN B 25 97.647 54.091 45.339 1.00 0.00 C ATOM 1155 CG GLN B 25 97.106 54.039 43.909 1.00 0.00 C ATOM 1156 CD GLN B 25 96.270 55.289 43.632 1.00 0.00 C ATOM 1157 OE1 GLN B 25 95.156 55.406 44.104 1.00 0.00 O ATOM 1158 NE2 GLN B 25 96.762 56.235 42.881 1.00 0.00 N ATOM 0 H GLN B 25 96.439 55.874 46.372 1.00 0.00 H new ATOM 0 HA GLN B 25 95.752 53.136 45.853 1.00 0.00 H new ATOM 0 HB2 GLN B 25 98.037 55.086 45.555 1.00 0.00 H new ATOM 0 HB3 GLN B 25 98.476 53.392 45.451 1.00 0.00 H new ATOM 0 HG2 GLN B 25 97.931 53.976 43.199 1.00 0.00 H new ATOM 0 HG3 GLN B 25 96.498 53.145 43.771 1.00 0.00 H new ATOM 0 HE21 GLN B 25 97.697 56.137 42.485 1.00 0.00 H new ATOM 0 HE22 GLN B 25 96.212 57.073 42.690 1.00 0.00 H new ATOM 1167 N GLN B 26 97.599 53.587 48.493 1.00 0.00 N ATOM 1168 CA GLN B 26 98.150 52.858 49.673 1.00 0.00 C ATOM 1169 C GLN B 26 99.125 51.761 49.221 1.00 0.00 C ATOM 1170 O GLN B 26 98.928 50.600 49.519 1.00 0.00 O ATOM 1171 CB GLN B 26 96.930 52.245 50.363 1.00 0.00 C ATOM 1172 CG GLN B 26 96.925 52.649 51.838 1.00 0.00 C ATOM 1173 CD GLN B 26 95.484 52.720 52.345 1.00 0.00 C ATOM 1174 OE1 GLN B 26 94.564 52.895 51.571 1.00 0.00 O ATOM 1175 NE2 GLN B 26 95.248 52.590 53.622 1.00 0.00 N ATOM 0 H GLN B 26 97.668 54.603 48.542 1.00 0.00 H new ATOM 0 HA GLN B 26 98.708 53.516 50.339 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.015 52.585 49.878 1.00 0.00 H new ATOM 0 HB3 GLN B 26 96.954 51.159 50.272 1.00 0.00 H new ATOM 0 HG2 GLN B 26 97.493 51.927 52.425 1.00 0.00 H new ATOM 0 HG3 GLN B 26 97.413 53.616 51.963 1.00 0.00 H new ATOM 0 HE21 GLN B 26 96.021 52.443 54.271 1.00 0.00 H new ATOM 0 HE22 GLN B 26 94.291 52.635 53.971 1.00 0.00 H new ATOM 1184 N PRO B 27 100.152 52.166 48.516 1.00 0.00 N ATOM 1185 CA PRO B 27 101.163 51.196 48.027 1.00 0.00 C ATOM 1186 C PRO B 27 102.012 50.676 49.195 1.00 0.00 C ATOM 1187 O PRO B 27 102.265 51.397 50.139 1.00 0.00 O ATOM 1188 CB PRO B 27 102.009 52.014 47.057 1.00 0.00 C ATOM 1189 CG PRO B 27 101.846 53.431 47.504 1.00 0.00 C ATOM 1190 CD PRO B 27 100.470 53.541 48.108 1.00 0.00 C ATOM 0 HA PRO B 27 100.722 50.317 47.557 1.00 0.00 H new ATOM 0 HB2 PRO B 27 103.054 51.707 47.089 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.670 51.883 46.029 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.611 53.697 48.234 1.00 0.00 H new ATOM 0 HG3 PRO B 27 101.955 54.117 46.664 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.460 54.222 48.959 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.746 53.921 47.387 1.00 0.00 H new ATOM 1198 N PRO B 28 102.427 49.437 49.095 1.00 0.00 N ATOM 1199 CA PRO B 28 103.255 48.828 50.165 1.00 0.00 C ATOM 1200 C PRO B 28 104.660 49.440 50.171 1.00 0.00 C ATOM 1201 O PRO B 28 105.297 49.544 51.200 1.00 0.00 O ATOM 1202 CB PRO B 28 103.304 47.350 49.786 1.00 0.00 C ATOM 1203 CG PRO B 28 103.064 47.324 48.312 1.00 0.00 C ATOM 1204 CD PRO B 28 102.172 48.496 47.996 1.00 0.00 C ATOM 0 HA PRO B 28 102.851 48.992 51.164 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.269 46.909 50.037 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.544 46.780 50.320 1.00 0.00 H new ATOM 0 HG2 PRO B 28 104.005 47.396 47.766 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.593 46.388 48.013 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.416 48.935 47.029 1.00 0.00 H new ATOM 0 HD3 PRO B 28 101.123 48.201 47.957 1.00 0.00 H new ATOM 1212 N ASP B 29 105.146 49.844 49.030 1.00 0.00 N ATOM 1213 CA ASP B 29 106.508 50.448 48.974 1.00 0.00 C ATOM 1214 C ASP B 29 106.484 51.731 48.137 1.00 0.00 C ATOM 1215 O ASP B 29 106.126 51.719 46.976 1.00 0.00 O ATOM 1216 CB ASP B 29 107.386 49.388 48.307 1.00 0.00 C ATOM 1217 CG ASP B 29 107.300 48.081 49.097 1.00 0.00 C ATOM 1218 OD1 ASP B 29 107.837 48.038 50.191 1.00 0.00 O ATOM 1219 OD2 ASP B 29 106.697 47.147 48.595 1.00 0.00 O ATOM 0 H ASP B 29 104.660 49.782 48.135 1.00 0.00 H new ATOM 0 HA ASP B 29 106.879 50.721 49.962 1.00 0.00 H new ATOM 0 HB2 ASP B 29 107.061 49.226 47.279 1.00 0.00 H new ATOM 0 HB3 ASP B 29 108.420 49.732 48.264 1.00 0.00 H new ATOM 1224 N LEU B 30 106.864 52.835 48.718 1.00 0.00 N ATOM 1225 CA LEU B 30 106.864 54.117 47.955 1.00 0.00 C ATOM 1226 C LEU B 30 108.106 54.199 47.067 1.00 0.00 C ATOM 1227 O LEU B 30 108.118 54.876 46.059 1.00 0.00 O ATOM 1228 CB LEU B 30 106.887 55.216 49.018 1.00 0.00 C ATOM 1229 CG LEU B 30 105.724 55.012 49.990 1.00 0.00 C ATOM 1230 CD1 LEU B 30 106.269 54.592 51.358 1.00 0.00 C ATOM 1231 CD2 LEU B 30 104.943 56.320 50.133 1.00 0.00 C ATOM 0 H LEU B 30 107.174 52.906 49.687 1.00 0.00 H new ATOM 0 HA LEU B 30 105.998 54.208 47.300 1.00 0.00 H new ATOM 0 HB2 LEU B 30 107.834 55.194 49.558 1.00 0.00 H new ATOM 0 HB3 LEU B 30 106.812 56.195 48.545 1.00 0.00 H new ATOM 0 HG LEU B 30 105.064 54.234 49.607 1.00 0.00 H new ATOM 0 HD11 LEU B 30 105.440 54.447 52.051 1.00 0.00 H new ATOM 0 HD12 LEU B 30 106.826 53.660 51.257 1.00 0.00 H new ATOM 0 HD13 LEU B 30 106.930 55.370 51.741 1.00 0.00 H new ATOM 0 HD21 LEU B 30 104.114 56.175 50.826 1.00 0.00 H new ATOM 0 HD22 LEU B 30 105.603 57.098 50.515 1.00 0.00 H new ATOM 0 HD23 LEU B 30 104.554 56.620 49.160 1.00 0.00 H new ATOM 1243 N VAL B 31 109.152 53.511 47.432 1.00 0.00 N ATOM 1244 CA VAL B 31 110.393 53.545 46.604 1.00 0.00 C ATOM 1245 C VAL B 31 110.062 53.167 45.161 1.00 0.00 C ATOM 1246 O VAL B 31 110.368 53.886 44.229 1.00 0.00 O ATOM 1247 CB VAL B 31 111.310 52.493 47.224 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.666 52.518 46.518 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.505 52.800 48.711 1.00 0.00 C ATOM 0 H VAL B 31 109.203 52.927 48.267 1.00 0.00 H new ATOM 0 HA VAL B 31 110.854 54.533 46.587 1.00 0.00 H new ATOM 0 HB VAL B 31 110.860 51.507 47.111 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.321 51.767 46.961 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.529 52.301 45.459 1.00 0.00 H new ATOM 0 HG13 VAL B 31 113.117 53.504 46.631 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.159 52.050 49.155 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.956 53.786 48.823 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.539 52.783 49.216 1.00 0.00 H new ATOM 1259 N ASP B 32 109.432 52.043 44.977 1.00 0.00 N ATOM 1260 CA ASP B 32 109.068 51.603 43.604 1.00 0.00 C ATOM 1261 C ASP B 32 107.956 52.494 43.048 1.00 0.00 C ATOM 1262 O ASP B 32 108.028 52.972 41.933 1.00 0.00 O ATOM 1263 CB ASP B 32 108.581 50.167 43.781 1.00 0.00 C ATOM 1264 CG ASP B 32 109.055 49.314 42.603 1.00 0.00 C ATOM 1265 OD1 ASP B 32 110.091 49.635 42.043 1.00 0.00 O ATOM 1266 OD2 ASP B 32 108.376 48.352 42.281 1.00 0.00 O ATOM 0 H ASP B 32 109.152 51.406 45.723 1.00 0.00 H new ATOM 0 HA ASP B 32 109.900 51.668 42.902 1.00 0.00 H new ATOM 0 HB2 ASP B 32 108.961 49.756 44.716 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.493 50.147 43.843 1.00 0.00 H new ATOM 1271 N PHE B 33 106.930 52.730 43.820 1.00 0.00 N ATOM 1272 CA PHE B 33 105.821 53.602 43.336 1.00 0.00 C ATOM 1273 C PHE B 33 106.374 54.980 42.969 1.00 0.00 C ATOM 1274 O PHE B 33 106.131 55.493 41.894 1.00 0.00 O ATOM 1275 CB PHE B 33 104.854 53.705 44.518 1.00 0.00 C ATOM 1276 CG PHE B 33 103.731 54.652 44.169 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.980 54.455 42.989 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.432 55.737 45.023 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.930 55.341 42.662 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.382 56.624 44.697 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.631 56.426 43.516 1.00 0.00 C ATOM 0 H PHE B 33 106.812 52.358 44.762 1.00 0.00 H new ATOM 0 HA PHE B 33 105.330 53.204 42.448 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.452 52.721 44.760 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.382 54.060 45.403 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.209 53.626 42.336 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.006 55.888 45.925 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.356 55.189 41.760 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.153 57.453 45.350 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.828 57.104 43.266 1.00 0.00 H new ATOM 1291 N ALA B 34 107.126 55.578 43.852 1.00 0.00 N ATOM 1292 CA ALA B 34 107.707 56.918 43.556 1.00 0.00 C ATOM 1293 C ALA B 34 108.477 56.871 42.234 1.00 0.00 C ATOM 1294 O ALA B 34 108.459 57.805 41.458 1.00 0.00 O ATOM 1295 CB ALA B 34 108.658 57.201 44.722 1.00 0.00 C ATOM 0 H ALA B 34 107.363 55.196 44.767 1.00 0.00 H new ATOM 0 HA ALA B 34 106.945 57.691 43.456 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.129 58.174 44.580 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.097 57.202 45.657 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.426 56.429 44.761 1.00 0.00 H new ATOM 1301 N VAL B 35 109.152 55.784 41.973 1.00 0.00 N ATOM 1302 CA VAL B 35 109.919 55.665 40.707 1.00 0.00 C ATOM 1303 C VAL B 35 108.975 55.320 39.553 1.00 0.00 C ATOM 1304 O VAL B 35 109.161 55.752 38.437 1.00 0.00 O ATOM 1305 CB VAL B 35 110.901 54.525 40.965 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.654 54.194 39.680 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.897 54.947 42.044 1.00 0.00 C ATOM 0 H VAL B 35 109.203 54.971 42.587 1.00 0.00 H new ATOM 0 HA VAL B 35 110.427 56.589 40.430 1.00 0.00 H new ATOM 0 HB VAL B 35 110.352 53.644 41.298 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.354 53.380 39.868 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.944 53.892 38.910 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.202 55.074 39.343 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.599 54.134 42.229 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.443 55.829 41.710 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.360 55.180 42.964 1.00 0.00 H new ATOM 1317 N GLU B 36 107.962 54.545 39.819 1.00 0.00 N ATOM 1318 CA GLU B 36 107.005 54.169 38.746 1.00 0.00 C ATOM 1319 C GLU B 36 106.042 55.337 38.479 1.00 0.00 C ATOM 1320 O GLU B 36 105.458 55.443 37.418 1.00 0.00 O ATOM 1321 CB GLU B 36 106.283 52.938 39.320 1.00 0.00 C ATOM 1322 CG GLU B 36 104.927 52.736 38.642 1.00 0.00 C ATOM 1323 CD GLU B 36 104.673 51.241 38.437 1.00 0.00 C ATOM 1324 OE1 GLU B 36 104.576 50.536 39.427 1.00 0.00 O ATOM 1325 OE2 GLU B 36 104.581 50.827 37.293 1.00 0.00 O ATOM 0 H GLU B 36 107.756 54.155 40.738 1.00 0.00 H new ATOM 0 HA GLU B 36 107.475 53.948 37.788 1.00 0.00 H new ATOM 0 HB2 GLU B 36 106.900 52.051 39.179 1.00 0.00 H new ATOM 0 HB3 GLU B 36 106.143 53.062 40.394 1.00 0.00 H new ATOM 0 HG2 GLU B 36 104.135 53.169 39.253 1.00 0.00 H new ATOM 0 HG3 GLU B 36 104.908 53.253 37.683 1.00 0.00 H new ATOM 1332 N TYR B 37 105.875 56.211 39.433 1.00 0.00 N ATOM 1333 CA TYR B 37 104.949 57.365 39.234 1.00 0.00 C ATOM 1334 C TYR B 37 105.628 58.465 38.411 1.00 0.00 C ATOM 1335 O TYR B 37 105.209 58.782 37.316 1.00 0.00 O ATOM 1336 CB TYR B 37 104.638 57.870 40.644 1.00 0.00 C ATOM 1337 CG TYR B 37 103.663 59.021 40.562 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.446 58.868 39.861 1.00 0.00 C ATOM 1339 CD2 TYR B 37 103.971 60.252 41.184 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.536 59.945 39.784 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.060 61.330 41.106 1.00 0.00 C ATOM 1342 CZ TYR B 37 101.842 61.176 40.405 1.00 0.00 C ATOM 1343 OH TYR B 37 100.952 62.228 40.329 1.00 0.00 O ATOM 0 H TYR B 37 106.338 56.177 40.341 1.00 0.00 H new ATOM 0 HA TYR B 37 104.048 57.077 38.692 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.217 57.065 41.246 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.555 58.191 41.138 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.212 57.928 39.384 1.00 0.00 H new ATOM 0 HD2 TYR B 37 104.902 60.369 41.719 1.00 0.00 H new ATOM 0 HE1 TYR B 37 100.605 59.827 39.250 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.294 62.271 41.582 1.00 0.00 H new ATOM 0 HH TYR B 37 100.071 61.934 40.642 1.00 0.00 H new ATOM 1353 N PHE B 38 106.669 59.056 38.934 1.00 0.00 N ATOM 1354 CA PHE B 38 107.367 60.141 38.184 1.00 0.00 C ATOM 1355 C PHE B 38 107.880 59.624 36.838 1.00 0.00 C ATOM 1356 O PHE B 38 107.681 60.242 35.810 1.00 0.00 O ATOM 1357 CB PHE B 38 108.532 60.558 39.083 1.00 0.00 C ATOM 1358 CG PHE B 38 108.012 61.413 40.216 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.137 62.489 39.946 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.402 61.136 41.546 1.00 0.00 C ATOM 1361 CE1 PHE B 38 106.652 63.288 41.005 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.916 61.935 42.605 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.040 63.011 42.335 1.00 0.00 C ATOM 0 H PHE B 38 107.066 58.835 39.847 1.00 0.00 H new ATOM 0 HA PHE B 38 106.703 60.977 37.962 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.033 59.675 39.480 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.272 61.112 38.505 1.00 0.00 H new ATOM 0 HD1 PHE B 38 106.839 62.701 38.930 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.071 60.314 41.753 1.00 0.00 H new ATOM 0 HE1 PHE B 38 105.984 64.111 40.798 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.214 61.724 43.621 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.668 63.621 43.145 1.00 0.00 H new ATOM 1373 N THR B 39 108.538 58.496 36.827 1.00 0.00 N ATOM 1374 CA THR B 39 109.059 57.952 35.538 1.00 0.00 C ATOM 1375 C THR B 39 107.930 57.875 34.506 1.00 0.00 C ATOM 1376 O THR B 39 108.061 58.348 33.394 1.00 0.00 O ATOM 1377 CB THR B 39 109.578 56.553 35.870 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.664 56.658 36.780 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.050 55.864 34.590 1.00 0.00 C ATOM 0 H THR B 39 108.737 57.929 37.651 1.00 0.00 H new ATOM 0 HA THR B 39 109.841 58.581 35.112 1.00 0.00 H new ATOM 0 HB THR B 39 108.778 55.966 36.322 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.392 56.311 37.655 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.420 54.867 34.829 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.217 55.785 33.891 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.850 56.449 34.136 1.00 0.00 H new ATOM 1387 N ARG B 40 106.819 57.290 34.867 1.00 0.00 N ATOM 1388 CA ARG B 40 105.687 57.196 33.903 1.00 0.00 C ATOM 1389 C ARG B 40 105.260 58.599 33.464 1.00 0.00 C ATOM 1390 O ARG B 40 104.732 58.791 32.387 1.00 0.00 O ATOM 1391 CB ARG B 40 104.562 56.509 34.678 1.00 0.00 C ATOM 1392 CG ARG B 40 104.582 55.009 34.383 1.00 0.00 C ATOM 1393 CD ARG B 40 103.224 54.400 34.740 1.00 0.00 C ATOM 1394 NE ARG B 40 103.128 53.166 33.912 1.00 0.00 N ATOM 1395 CZ ARG B 40 102.149 52.326 34.105 1.00 0.00 C ATOM 1396 NH1 ARG B 40 102.116 51.599 35.188 1.00 0.00 N ATOM 1397 NH2 ARG B 40 101.200 52.214 33.215 1.00 0.00 N ATOM 0 H ARG B 40 106.648 56.875 35.783 1.00 0.00 H new ATOM 0 HA ARG B 40 105.952 56.644 33.001 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.684 56.682 35.747 1.00 0.00 H new ATOM 0 HB3 ARG B 40 103.599 56.933 34.395 1.00 0.00 H new ATOM 0 HG2 ARG B 40 104.804 54.838 33.330 1.00 0.00 H new ATOM 0 HG3 ARG B 40 105.372 54.525 34.958 1.00 0.00 H new ATOM 0 HD2 ARG B 40 103.162 54.168 35.803 1.00 0.00 H new ATOM 0 HD3 ARG B 40 102.410 55.090 34.516 1.00 0.00 H new ATOM 0 HE ARG B 40 103.828 52.978 33.194 1.00 0.00 H new ATOM 0 HH11 ARG B 40 102.856 51.687 35.884 1.00 0.00 H new ATOM 0 HH12 ARG B 40 101.350 50.942 35.338 1.00 0.00 H new ATOM 0 HH21 ARG B 40 101.224 52.783 32.369 1.00 0.00 H new ATOM 0 HH22 ARG B 40 100.434 51.557 33.366 1.00 0.00 H new ATOM 1411 N LEU B 41 105.488 59.581 34.293 1.00 0.00 N ATOM 1412 CA LEU B 41 105.101 60.974 33.928 1.00 0.00 C ATOM 1413 C LEU B 41 105.862 61.419 32.677 1.00 0.00 C ATOM 1414 O LEU B 41 105.315 62.060 31.802 1.00 0.00 O ATOM 1415 CB LEU B 41 105.507 61.824 35.133 1.00 0.00 C ATOM 1416 CG LEU B 41 104.396 62.828 35.450 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.174 62.086 35.989 1.00 0.00 C ATOM 1418 CD2 LEU B 41 104.895 63.820 36.503 1.00 0.00 C ATOM 0 H LEU B 41 105.926 59.479 35.208 1.00 0.00 H new ATOM 0 HA LEU B 41 104.038 61.065 33.704 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.691 61.185 35.997 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.438 62.351 34.922 1.00 0.00 H new ATOM 0 HG LEU B 41 104.121 63.365 34.542 1.00 0.00 H new ATOM 0 HD11 LEU B 41 102.384 62.802 36.214 1.00 0.00 H new ATOM 0 HD12 LEU B 41 102.819 61.378 35.241 1.00 0.00 H new ATOM 0 HD13 LEU B 41 103.446 61.548 36.897 1.00 0.00 H new ATOM 0 HD21 LEU B 41 104.106 64.536 36.731 1.00 0.00 H new ATOM 0 HD22 LEU B 41 105.169 63.281 37.410 1.00 0.00 H new ATOM 0 HD23 LEU B 41 105.767 64.350 36.119 1.00 0.00 H new ATOM 1430 N ARG B 42 107.120 61.086 32.587 1.00 0.00 N ATOM 1431 CA ARG B 42 107.917 61.491 31.392 1.00 0.00 C ATOM 1432 C ARG B 42 107.200 61.062 30.108 1.00 0.00 C ATOM 1433 O ARG B 42 106.805 61.882 29.303 1.00 0.00 O ATOM 1434 CB ARG B 42 109.249 60.750 31.534 1.00 0.00 C ATOM 1435 CG ARG B 42 110.382 61.760 31.731 1.00 0.00 C ATOM 1436 CD ARG B 42 111.016 61.554 33.107 1.00 0.00 C ATOM 1437 NE ARG B 42 112.232 60.735 32.850 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.140 59.435 32.776 1.00 0.00 C ATOM 1439 NH1 ARG B 42 112.127 58.719 33.867 1.00 0.00 N ATOM 1440 NH2 ARG B 42 112.059 58.852 31.612 1.00 0.00 N ATOM 0 H ARG B 42 107.632 60.551 33.289 1.00 0.00 H new ATOM 0 HA ARG B 42 108.055 62.571 31.334 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.207 60.066 32.382 1.00 0.00 H new ATOM 0 HB3 ARG B 42 109.437 60.146 30.646 1.00 0.00 H new ATOM 0 HG2 ARG B 42 111.133 61.637 30.951 1.00 0.00 H new ATOM 0 HG3 ARG B 42 109.997 62.776 31.645 1.00 0.00 H new ATOM 0 HD2 ARG B 42 111.272 62.507 33.571 1.00 0.00 H new ATOM 0 HD3 ARG B 42 110.332 61.043 33.785 1.00 0.00 H new ATOM 0 HE ARG B 42 113.137 61.190 32.732 1.00 0.00 H new ATOM 0 HH11 ARG B 42 112.189 59.175 34.777 1.00 0.00 H new ATOM 0 HH12 ARG B 42 112.055 57.703 33.810 1.00 0.00 H new ATOM 0 HH21 ARG B 42 112.068 59.412 30.759 1.00 0.00 H new ATOM 0 HH22 ARG B 42 111.987 57.836 31.554 1.00 0.00 H new ATOM 1454 N GLU B 43 107.029 59.783 29.913 1.00 0.00 N ATOM 1455 CA GLU B 43 106.338 59.302 28.683 1.00 0.00 C ATOM 1456 C GLU B 43 104.896 59.819 28.646 1.00 0.00 C ATOM 1457 O GLU B 43 104.269 59.866 27.606 1.00 0.00 O ATOM 1458 CB GLU B 43 106.356 57.776 28.791 1.00 0.00 C ATOM 1459 CG GLU B 43 107.612 57.230 28.108 1.00 0.00 C ATOM 1460 CD GLU B 43 107.514 55.707 27.999 1.00 0.00 C ATOM 1461 OE1 GLU B 43 106.935 55.105 28.887 1.00 0.00 O ATOM 1462 OE2 GLU B 43 108.019 55.170 27.027 1.00 0.00 O ATOM 0 H GLU B 43 107.338 59.050 30.552 1.00 0.00 H new ATOM 0 HA GLU B 43 106.824 59.654 27.773 1.00 0.00 H new ATOM 0 HB2 GLU B 43 106.339 57.475 29.838 1.00 0.00 H new ATOM 0 HB3 GLU B 43 105.464 57.357 28.324 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.720 57.670 27.116 1.00 0.00 H new ATOM 0 HG3 GLU B 43 108.499 57.508 28.678 1.00 0.00 H new ATOM 1469 N ALA B 44 104.365 60.207 29.774 1.00 0.00 N ATOM 1470 CA ALA B 44 102.965 60.720 29.804 1.00 0.00 C ATOM 1471 C ALA B 44 102.864 62.039 29.041 1.00 0.00 C ATOM 1472 O ALA B 44 102.111 62.168 28.096 1.00 0.00 O ATOM 1473 CB ALA B 44 102.659 60.959 31.280 1.00 0.00 C ATOM 0 H ALA B 44 104.840 60.191 30.676 1.00 0.00 H new ATOM 0 HA ALA B 44 102.269 60.020 29.341 1.00 0.00 H new ATOM 0 HB1 ALA B 44 101.643 61.339 31.384 1.00 0.00 H new ATOM 0 HB2 ALA B 44 102.754 60.021 31.828 1.00 0.00 H new ATOM 0 HB3 ALA B 44 103.362 61.688 31.684 1.00 0.00 H new ATOM 1479 N ARG B 45 103.605 63.025 29.461 1.00 0.00 N ATOM 1480 CA ARG B 45 103.546 64.350 28.783 1.00 0.00 C ATOM 1481 C ARG B 45 103.658 64.192 27.264 1.00 0.00 C ATOM 1482 O ARG B 45 102.995 64.875 26.508 1.00 0.00 O ATOM 1483 CB ARG B 45 104.743 65.129 29.329 1.00 0.00 C ATOM 1484 CG ARG B 45 104.499 66.629 29.153 1.00 0.00 C ATOM 1485 CD ARG B 45 103.988 67.219 30.469 1.00 0.00 C ATOM 1486 NE ARG B 45 104.427 68.642 30.449 1.00 0.00 N ATOM 1487 CZ ARG B 45 105.169 69.109 31.416 1.00 0.00 C ATOM 1488 NH1 ARG B 45 104.612 69.560 32.506 1.00 0.00 N ATOM 1489 NH2 ARG B 45 106.467 69.127 31.291 1.00 0.00 N ATOM 0 H ARG B 45 104.252 62.970 30.248 1.00 0.00 H new ATOM 0 HA ARG B 45 102.601 64.860 28.973 1.00 0.00 H new ATOM 0 HB2 ARG B 45 104.892 64.895 30.383 1.00 0.00 H new ATOM 0 HB3 ARG B 45 105.652 64.834 28.805 1.00 0.00 H new ATOM 0 HG2 ARG B 45 105.422 67.126 28.853 1.00 0.00 H new ATOM 0 HG3 ARG B 45 103.772 66.800 28.359 1.00 0.00 H new ATOM 0 HD2 ARG B 45 102.903 67.142 30.541 1.00 0.00 H new ATOM 0 HD3 ARG B 45 104.403 66.690 31.327 1.00 0.00 H new ATOM 0 HE ARG B 45 104.148 69.251 29.680 1.00 0.00 H new ATOM 0 HH11 ARG B 45 103.597 69.548 32.603 1.00 0.00 H new ATOM 0 HH12 ARG B 45 105.192 69.925 33.262 1.00 0.00 H new ATOM 0 HH21 ARG B 45 106.902 68.776 30.438 1.00 0.00 H new ATOM 0 HH22 ARG B 45 107.047 69.492 32.046 1.00 0.00 H new ATOM 1503 N ARG B 46 104.492 63.299 26.811 1.00 0.00 N ATOM 1504 CA ARG B 46 104.647 63.100 25.341 1.00 0.00 C ATOM 1505 C ARG B 46 105.388 61.792 25.059 1.00 0.00 C ATOM 1506 O ARG B 46 104.734 60.829 24.692 1.00 0.00 O ATOM 1507 CB ARG B 46 105.472 64.297 24.865 1.00 0.00 C ATOM 1508 CG ARG B 46 105.472 64.343 23.336 1.00 0.00 C ATOM 1509 CD ARG B 46 106.876 64.693 22.837 1.00 0.00 C ATOM 1510 NE ARG B 46 106.735 66.037 22.210 1.00 0.00 N ATOM 1511 CZ ARG B 46 106.792 66.161 20.912 1.00 0.00 C ATOM 1512 NH1 ARG B 46 106.057 65.398 20.150 1.00 0.00 N ATOM 1513 NH2 ARG B 46 107.584 67.049 20.376 1.00 0.00 N ATOM 1514 OXT ARG B 46 106.599 61.774 25.213 1.00 0.00 O ATOM 0 H ARG B 46 105.074 62.697 27.394 1.00 0.00 H new ATOM 0 HA ARG B 46 103.687 63.037 24.829 1.00 0.00 H new ATOM 0 HB2 ARG B 46 105.057 65.221 25.267 1.00 0.00 H new ATOM 0 HB3 ARG B 46 106.494 64.219 25.237 1.00 0.00 H new ATOM 0 HG2 ARG B 46 105.160 63.380 22.932 1.00 0.00 H new ATOM 0 HG3 ARG B 46 104.754 65.083 22.984 1.00 0.00 H new ATOM 0 HD2 ARG B 46 107.593 64.713 23.657 1.00 0.00 H new ATOM 0 HD3 ARG B 46 107.235 63.957 22.118 1.00 0.00 H new ATOM 0 HE ARG B 46 106.594 66.860 22.795 1.00 0.00 H new ATOM 0 HH11 ARG B 46 105.438 64.704 20.569 1.00 0.00 H new ATOM 0 HH12 ARG B 46 106.102 65.495 19.136 1.00 0.00 H new ATOM 0 HH21 ARG B 46 108.158 67.646 20.971 1.00 0.00 H new ATOM 0 HH22 ARG B 46 107.629 67.146 19.362 1.00 0.00 H new TER 1528 ARG B 46