USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.179) USER MOD Set 1.2: A 48 MET CE :methyl -154:sc= -0.0518 (180deg=-1.25) USER MOD Set 2.1: A 36 GLN : amide:sc= -14! C(o=-18!,f=-21!) USER MOD Set 2.2: A 46 THR OG1 : rot 158:sc= -3.9! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.888 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -18.7! C(o=-27!,f=-19!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.6) USER MOD Single : A 31 TYR OH : rot 127:sc= 0.131 USER MOD Single : A 39 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.36) USER MOD Single : A 52 MET CE :methyl -149:sc= -0.107 (180deg=-1.72!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -86:sc= 0.249 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.637 F(o=-1.9,f=-0.64) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.771 (180deg=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 154:sc= -0.568 (180deg=-1.92!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.4) USER MOD Single : A 83 GLN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.467 11.485 2.890 1.00 0.00 N ATOM 2 CA GLY A 1 21.600 10.049 2.519 1.00 0.00 C ATOM 3 C GLY A 1 22.104 9.860 1.100 1.00 0.00 C ATOM 4 O GLY A 1 23.312 9.802 0.872 1.00 0.00 O ATOM 0 H1 GLY A 1 21.120 11.560 3.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.394 11.950 2.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.794 11.949 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.284 9.560 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.633 9.558 2.626 1.00 0.00 H new ATOM 10 N PRO A 2 21.193 9.760 0.117 1.00 0.00 N ATOM 11 CA PRO A 2 21.566 9.575 -1.289 1.00 0.00 C ATOM 12 C PRO A 2 22.574 10.618 -1.763 1.00 0.00 C ATOM 13 O PRO A 2 22.309 11.819 -1.713 1.00 0.00 O ATOM 14 CB PRO A 2 20.239 9.738 -2.035 1.00 0.00 C ATOM 15 CG PRO A 2 19.197 9.376 -1.036 1.00 0.00 C ATOM 16 CD PRO A 2 19.730 9.818 0.299 1.00 0.00 C ATOM 0 HA PRO A 2 22.050 8.613 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.108 10.760 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.193 9.087 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.252 9.870 -1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.005 8.303 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.396 10.824 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.398 9.160 1.102 1.00 0.00 H new ATOM 24 N LEU A 3 23.730 10.150 -2.220 1.00 0.00 N ATOM 25 CA LEU A 3 24.778 11.042 -2.702 1.00 0.00 C ATOM 26 C LEU A 3 25.227 12.000 -1.603 1.00 0.00 C ATOM 27 O LEU A 3 24.630 13.058 -1.406 1.00 0.00 O ATOM 28 CB LEU A 3 24.286 11.830 -3.919 1.00 0.00 C ATOM 29 CG LEU A 3 25.186 11.743 -5.152 1.00 0.00 C ATOM 30 CD1 LEU A 3 24.353 11.767 -6.425 1.00 0.00 C ATOM 31 CD2 LEU A 3 26.197 12.880 -5.154 1.00 0.00 C ATOM 0 H LEU A 3 23.965 9.159 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 3 25.633 10.433 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 3 23.292 11.472 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 3 24.182 12.878 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 3 25.729 10.799 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.011 11.704 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 3 23.668 10.919 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 3 23.783 12.695 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 3 26.830 12.803 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 3 25.671 13.835 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 3 26.816 12.818 -4.259 1.00 0.00 H new ATOM 43 N GLY A 4 26.281 11.620 -0.888 1.00 0.00 N ATOM 44 CA GLY A 4 26.790 12.456 0.184 1.00 0.00 C ATOM 45 C GLY A 4 27.147 11.658 1.423 1.00 0.00 C ATOM 46 O GLY A 4 28.321 11.517 1.762 1.00 0.00 O ATOM 0 H GLY A 4 26.792 10.749 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.672 12.992 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.042 13.206 0.442 1.00 0.00 H new ATOM 50 N SER A 5 26.129 11.134 2.099 1.00 0.00 N ATOM 51 CA SER A 5 26.341 10.346 3.307 1.00 0.00 C ATOM 52 C SER A 5 26.833 8.942 2.960 1.00 0.00 C ATOM 53 O SER A 5 26.493 8.399 1.909 1.00 0.00 O ATOM 54 CB SER A 5 25.047 10.258 4.117 1.00 0.00 C ATOM 55 OG SER A 5 25.115 9.220 5.079 1.00 0.00 O ATOM 0 H SER A 5 25.151 11.241 1.831 1.00 0.00 H new ATOM 0 HA SER A 5 27.104 10.843 3.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.862 11.209 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.206 10.081 3.446 1.00 0.00 H new ATOM 0 HG SER A 5 24.276 9.187 5.584 1.00 0.00 H new ATOM 61 N PRO A 6 27.645 8.334 3.843 1.00 0.00 N ATOM 62 CA PRO A 6 28.182 6.987 3.623 1.00 0.00 C ATOM 63 C PRO A 6 27.083 5.935 3.530 1.00 0.00 C ATOM 64 O PRO A 6 26.978 5.220 2.534 1.00 0.00 O ATOM 65 CB PRO A 6 29.062 6.738 4.855 1.00 0.00 C ATOM 66 CG PRO A 6 28.587 7.710 5.880 1.00 0.00 C ATOM 67 CD PRO A 6 28.099 8.909 5.120 1.00 0.00 C ATOM 0 HA PRO A 6 28.725 6.917 2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 6 28.962 5.712 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 6 30.116 6.894 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 6 27.788 7.280 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 6 29.392 7.982 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 6 27.289 9.416 5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.892 9.643 4.972 1.00 0.00 H new ATOM 75 N ILE A 7 26.264 5.844 4.573 1.00 0.00 N ATOM 76 CA ILE A 7 25.175 4.879 4.608 1.00 0.00 C ATOM 77 C ILE A 7 24.073 5.260 3.625 1.00 0.00 C ATOM 78 O ILE A 7 23.816 6.442 3.393 1.00 0.00 O ATOM 79 CB ILE A 7 24.571 4.763 6.022 1.00 0.00 C ATOM 80 CG1 ILE A 7 25.675 4.540 7.057 1.00 0.00 C ATOM 81 CG2 ILE A 7 23.554 3.631 6.072 1.00 0.00 C ATOM 82 CD1 ILE A 7 25.166 4.490 8.481 1.00 0.00 C ATOM 0 H ILE A 7 26.336 6.429 5.406 1.00 0.00 H new ATOM 0 HA ILE A 7 25.596 3.915 4.322 1.00 0.00 H new ATOM 0 HB ILE A 7 24.060 5.696 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 7 26.191 3.607 6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 7 26.410 5.340 6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.136 3.561 7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 7 22.754 3.829 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 7 24.043 2.691 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 7 26.003 4.329 9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 7 24.675 5.432 8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 7 24.453 3.672 8.584 1.00 0.00 H new ATOM 94 N GLY A 8 23.423 4.253 3.051 1.00 0.00 N ATOM 95 CA GLY A 8 22.357 4.504 2.100 1.00 0.00 C ATOM 96 C GLY A 8 22.462 3.632 0.865 1.00 0.00 C ATOM 97 O GLY A 8 22.577 2.411 0.967 1.00 0.00 O ATOM 0 H GLY A 8 23.616 3.267 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 8 21.396 4.330 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.379 5.553 1.803 1.00 0.00 H new ATOM 101 N ALA A 9 22.422 4.261 -0.306 1.00 0.00 N ATOM 102 CA ALA A 9 22.514 3.534 -1.567 1.00 0.00 C ATOM 103 C ALA A 9 23.820 2.750 -1.663 1.00 0.00 C ATOM 104 O ALA A 9 23.928 1.801 -2.439 1.00 0.00 O ATOM 105 CB ALA A 9 22.389 4.497 -2.738 1.00 0.00 C ATOM 0 H ALA A 9 22.327 5.271 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 9 21.692 2.819 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 9 22.459 3.943 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.427 5.006 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 9 23.192 5.233 -2.691 1.00 0.00 H new ATOM 111 N LEU A 10 24.810 3.153 -0.872 1.00 0.00 N ATOM 112 CA LEU A 10 26.107 2.487 -0.872 1.00 0.00 C ATOM 113 C LEU A 10 25.969 1.010 -0.517 1.00 0.00 C ATOM 114 O LEU A 10 26.630 0.157 -1.108 1.00 0.00 O ATOM 115 CB LEU A 10 27.051 3.172 0.117 1.00 0.00 C ATOM 116 CG LEU A 10 28.540 2.923 -0.131 1.00 0.00 C ATOM 117 CD1 LEU A 10 29.360 4.136 0.282 1.00 0.00 C ATOM 118 CD2 LEU A 10 29.004 1.683 0.618 1.00 0.00 C ATOM 0 H LEU A 10 24.738 3.937 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 10 26.522 2.560 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 10 26.868 4.246 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 10 26.805 2.835 1.124 1.00 0.00 H new ATOM 0 HG LEU A 10 28.689 2.756 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 10 30.417 3.941 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 10 29.045 5.003 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 10 29.207 4.335 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 10 30.065 1.521 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 10 28.841 1.821 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 10 28.438 0.817 0.274 1.00 0.00 H new ATOM 130 N ALA A 11 25.110 0.713 0.453 1.00 0.00 N ATOM 131 CA ALA A 11 24.895 -0.665 0.884 1.00 0.00 C ATOM 132 C ALA A 11 23.597 -0.819 1.674 1.00 0.00 C ATOM 133 O ALA A 11 22.930 -1.850 1.589 1.00 0.00 O ATOM 134 CB ALA A 11 26.076 -1.143 1.716 1.00 0.00 C ATOM 0 H ALA A 11 24.553 1.405 0.954 1.00 0.00 H new ATOM 0 HA ALA A 11 24.809 -1.281 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 11 25.905 -2.172 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 11 26.986 -1.093 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 11 26.184 -0.506 2.594 1.00 0.00 H new ATOM 140 N SER A 12 23.244 0.204 2.447 1.00 0.00 N ATOM 141 CA SER A 12 22.029 0.168 3.254 1.00 0.00 C ATOM 142 C SER A 12 20.796 -0.053 2.383 1.00 0.00 C ATOM 143 O SER A 12 19.858 -0.744 2.783 1.00 0.00 O ATOM 144 CB SER A 12 21.880 1.469 4.046 1.00 0.00 C ATOM 145 OG SER A 12 21.104 1.268 5.215 1.00 0.00 O ATOM 0 H SER A 12 23.781 1.067 2.531 1.00 0.00 H new ATOM 0 HA SER A 12 22.112 -0.668 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.865 1.847 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.411 2.228 3.420 1.00 0.00 H new ATOM 0 HG SER A 12 21.025 2.113 5.704 1.00 0.00 H new ATOM 151 N ALA A 13 20.801 0.535 1.191 1.00 0.00 N ATOM 152 CA ALA A 13 19.680 0.398 0.269 1.00 0.00 C ATOM 153 C ALA A 13 19.494 -1.055 -0.154 1.00 0.00 C ATOM 154 O ALA A 13 18.373 -1.563 -0.190 1.00 0.00 O ATOM 155 CB ALA A 13 19.888 1.282 -0.951 1.00 0.00 C ATOM 0 H ALA A 13 21.568 1.110 0.842 1.00 0.00 H new ATOM 0 HA ALA A 13 18.775 0.719 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.043 1.169 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 19.965 2.323 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.805 0.988 -1.461 1.00 0.00 H new ATOM 161 N LEU A 14 20.600 -1.720 -0.474 1.00 0.00 N ATOM 162 CA LEU A 14 20.559 -3.115 -0.896 1.00 0.00 C ATOM 163 C LEU A 14 19.956 -3.995 0.194 1.00 0.00 C ATOM 164 O LEU A 14 19.262 -4.970 -0.095 1.00 0.00 O ATOM 165 CB LEU A 14 21.966 -3.605 -1.241 1.00 0.00 C ATOM 166 CG LEU A 14 22.588 -2.963 -2.486 1.00 0.00 C ATOM 167 CD1 LEU A 14 23.631 -1.927 -2.090 1.00 0.00 C ATOM 168 CD2 LEU A 14 23.205 -4.024 -3.384 1.00 0.00 C ATOM 0 H LEU A 14 21.536 -1.315 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 14 19.929 -3.183 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.619 -3.417 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.933 -4.685 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 14 21.797 -2.460 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.061 -1.482 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.161 -1.149 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 14 24.419 -2.407 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.641 -3.548 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 14 23.982 -4.557 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.434 -4.728 -3.698 1.00 0.00 H new ATOM 180 N ALA A 15 20.226 -3.646 1.448 1.00 0.00 N ATOM 181 CA ALA A 15 19.710 -4.405 2.581 1.00 0.00 C ATOM 182 C ALA A 15 18.185 -4.440 2.569 1.00 0.00 C ATOM 183 O ALA A 15 17.574 -5.404 3.031 1.00 0.00 O ATOM 184 CB ALA A 15 20.216 -3.811 3.886 1.00 0.00 C ATOM 0 H ALA A 15 20.799 -2.842 1.705 1.00 0.00 H new ATOM 0 HA ALA A 15 20.071 -5.430 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.824 -4.387 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 15 21.305 -3.843 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.882 -2.777 3.969 1.00 0.00 H new ATOM 190 N ASN A 16 17.578 -3.384 2.038 1.00 0.00 N ATOM 191 CA ASN A 16 16.124 -3.295 1.966 1.00 0.00 C ATOM 192 C ASN A 16 15.575 -4.215 0.881 1.00 0.00 C ATOM 193 O ASN A 16 16.330 -4.762 0.077 1.00 0.00 O ATOM 194 CB ASN A 16 15.694 -1.852 1.694 1.00 0.00 C ATOM 195 CG ASN A 16 16.032 -0.922 2.843 1.00 0.00 C ATOM 196 OD1 ASN A 16 15.185 -0.627 3.687 1.00 0.00 O ATOM 197 ND2 ASN A 16 17.273 -0.452 2.878 1.00 0.00 N ATOM 0 H ASN A 16 18.070 -2.578 1.651 1.00 0.00 H new ATOM 0 HA ASN A 16 15.717 -3.613 2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.181 -1.496 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.620 -1.824 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.558 0.181 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.942 -0.724 2.157 1.00 0.00 H new ATOM 204 N SER A 17 14.256 -4.382 0.864 1.00 0.00 N ATOM 205 CA SER A 17 13.606 -5.237 -0.122 1.00 0.00 C ATOM 206 C SER A 17 12.775 -4.407 -1.098 1.00 0.00 C ATOM 207 O SER A 17 12.338 -3.304 -0.772 1.00 0.00 O ATOM 208 CB SER A 17 12.716 -6.269 0.573 1.00 0.00 C ATOM 209 OG SER A 17 13.153 -6.506 1.901 1.00 0.00 O ATOM 0 H SER A 17 13.617 -3.936 1.522 1.00 0.00 H new ATOM 0 HA SER A 17 14.383 -5.757 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.685 -5.917 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.728 -7.203 0.010 1.00 0.00 H new ATOM 0 HG SER A 17 12.567 -7.168 2.325 1.00 0.00 H new ATOM 215 N PRO A 18 12.547 -4.930 -2.315 1.00 0.00 N ATOM 216 CA PRO A 18 11.764 -4.232 -3.341 1.00 0.00 C ATOM 217 C PRO A 18 10.399 -3.784 -2.823 1.00 0.00 C ATOM 218 O PRO A 18 9.851 -4.381 -1.897 1.00 0.00 O ATOM 219 CB PRO A 18 11.599 -5.283 -4.441 1.00 0.00 C ATOM 220 CG PRO A 18 12.757 -6.203 -4.265 1.00 0.00 C ATOM 221 CD PRO A 18 13.033 -6.241 -2.787 1.00 0.00 C ATOM 0 HA PRO A 18 12.256 -3.319 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.653 -5.815 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.605 -4.825 -5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.526 -7.198 -4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.627 -5.845 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.508 -7.063 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.095 -6.374 -2.580 1.00 0.00 H new ATOM 229 N PRO A 19 9.831 -2.719 -3.416 1.00 0.00 N ATOM 230 CA PRO A 19 8.524 -2.192 -3.006 1.00 0.00 C ATOM 231 C PRO A 19 7.434 -3.257 -3.034 1.00 0.00 C ATOM 232 O PRO A 19 6.540 -3.265 -2.187 1.00 0.00 O ATOM 233 CB PRO A 19 8.233 -1.105 -4.046 1.00 0.00 C ATOM 234 CG PRO A 19 9.570 -0.704 -4.565 1.00 0.00 C ATOM 235 CD PRO A 19 10.417 -1.944 -4.526 1.00 0.00 C ATOM 0 HA PRO A 19 8.539 -1.826 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.596 -1.483 -4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.713 -0.258 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.494 -0.315 -5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.006 0.086 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.372 -2.492 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.466 -1.710 -4.344 1.00 0.00 H new ATOM 243 N GLU A 20 7.512 -4.154 -4.012 1.00 0.00 N ATOM 244 CA GLU A 20 6.529 -5.224 -4.149 1.00 0.00 C ATOM 245 C GLU A 20 6.646 -6.225 -3.004 1.00 0.00 C ATOM 246 O GLU A 20 5.640 -6.753 -2.518 1.00 0.00 O ATOM 247 CB GLU A 20 6.710 -5.941 -5.489 1.00 0.00 C ATOM 248 CG GLU A 20 8.078 -6.583 -5.654 1.00 0.00 C ATOM 249 CD GLU A 20 8.346 -7.023 -7.081 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.843 -6.359 -8.011 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.059 -8.031 -7.266 1.00 0.00 O ATOM 0 H GLU A 20 8.245 -4.162 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 20 5.536 -4.776 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.943 -6.709 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.552 -5.228 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.847 -5.875 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.153 -7.445 -4.991 1.00 0.00 H new ATOM 258 N THR A 21 7.879 -6.481 -2.571 1.00 0.00 N ATOM 259 CA THR A 21 8.110 -7.421 -1.482 1.00 0.00 C ATOM 260 C THR A 21 7.467 -6.905 -0.210 1.00 0.00 C ATOM 261 O THR A 21 6.718 -7.620 0.460 1.00 0.00 O ATOM 262 CB THR A 21 9.610 -7.638 -1.269 1.00 0.00 C ATOM 263 OG1 THR A 21 10.203 -8.207 -2.422 1.00 0.00 O ATOM 264 CG2 THR A 21 9.925 -8.543 -0.096 1.00 0.00 C ATOM 0 H THR A 21 8.723 -6.055 -2.954 1.00 0.00 H new ATOM 0 HA THR A 21 7.659 -8.378 -1.744 1.00 0.00 H new ATOM 0 HB THR A 21 10.018 -6.648 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.968 -8.760 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.005 -8.654 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.524 -8.106 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.473 -9.521 -0.259 1.00 0.00 H new ATOM 272 N GLN A 22 7.717 -5.644 0.087 1.00 0.00 N ATOM 273 CA GLN A 22 7.109 -5.022 1.249 1.00 0.00 C ATOM 274 C GLN A 22 5.632 -4.877 0.994 1.00 0.00 C ATOM 275 O GLN A 22 4.809 -5.114 1.874 1.00 0.00 O ATOM 276 CB GLN A 22 7.685 -3.630 1.538 1.00 0.00 C ATOM 277 CG GLN A 22 6.725 -2.731 2.329 1.00 0.00 C ATOM 278 CD GLN A 22 5.573 -2.195 1.481 1.00 0.00 C ATOM 279 OE1 GLN A 22 4.329 -2.609 1.785 1.00 0.00 O flip ATOM 280 NE2 GLN A 22 5.793 -1.413 0.556 1.00 0.00 N flip ATOM 0 H GLN A 22 8.331 -5.035 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 22 7.315 -5.657 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.615 -3.737 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.934 -3.144 0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.319 -3.294 3.170 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.282 -1.892 2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.748 -1.119 0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.020 -1.059 -0.007 1.00 0.00 H new ATOM 289 N ARG A 23 5.322 -4.424 -0.224 1.00 0.00 N ATOM 290 CA ARG A 23 3.960 -4.172 -0.643 1.00 0.00 C ATOM 291 C ARG A 23 2.968 -4.939 0.208 1.00 0.00 C ATOM 292 O ARG A 23 2.423 -4.408 1.170 1.00 0.00 O ATOM 293 CB ARG A 23 3.773 -4.507 -2.123 1.00 0.00 C ATOM 294 CG ARG A 23 2.366 -4.237 -2.617 1.00 0.00 C ATOM 295 CD ARG A 23 1.750 -5.470 -3.261 1.00 0.00 C ATOM 296 NE ARG A 23 1.019 -5.140 -4.482 1.00 0.00 N ATOM 297 CZ ARG A 23 0.350 -6.033 -5.209 1.00 0.00 C ATOM 298 NH1 ARG A 23 0.318 -7.309 -4.842 1.00 0.00 N ATOM 299 NH2 ARG A 23 -0.290 -5.649 -6.306 1.00 0.00 N ATOM 0 H ARG A 23 6.018 -4.224 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 23 3.766 -3.108 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.478 -3.923 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.014 -5.557 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.743 -3.912 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.384 -3.420 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.535 -6.190 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.075 -5.951 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 23 1.021 -4.169 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.808 -7.610 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.196 -7.988 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.269 -4.670 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.803 -6.333 -6.863 1.00 0.00 H new ATOM 313 N MET A 24 2.751 -6.191 -0.131 1.00 0.00 N ATOM 314 CA MET A 24 1.827 -7.010 0.624 1.00 0.00 C ATOM 315 C MET A 24 2.242 -7.102 2.092 1.00 0.00 C ATOM 316 O MET A 24 1.392 -7.191 2.972 1.00 0.00 O ATOM 317 CB MET A 24 1.715 -8.407 0.013 1.00 0.00 C ATOM 318 CG MET A 24 0.624 -9.260 0.639 1.00 0.00 C ATOM 319 SD MET A 24 1.115 -10.985 0.833 1.00 0.00 S ATOM 320 CE MET A 24 0.438 -11.700 -0.662 1.00 0.00 C ATOM 0 H MET A 24 3.198 -6.662 -0.918 1.00 0.00 H new ATOM 0 HA MET A 24 0.848 -6.533 0.578 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.522 -8.312 -1.056 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.671 -8.919 0.120 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.362 -8.849 1.614 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.272 -9.209 0.020 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.660 -12.767 -0.688 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.642 -11.554 -0.679 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.883 -11.215 -1.531 1.00 0.00 H new ATOM 330 N MET A 25 3.550 -7.118 2.357 1.00 0.00 N ATOM 331 CA MET A 25 4.034 -7.238 3.732 1.00 0.00 C ATOM 332 C MET A 25 3.485 -6.129 4.640 1.00 0.00 C ATOM 333 O MET A 25 2.914 -6.431 5.688 1.00 0.00 O ATOM 334 CB MET A 25 5.565 -7.216 3.751 1.00 0.00 C ATOM 335 CG MET A 25 6.190 -8.590 3.925 1.00 0.00 C ATOM 336 SD MET A 25 5.675 -9.401 5.451 1.00 0.00 S ATOM 337 CE MET A 25 7.158 -10.316 5.864 1.00 0.00 C ATOM 0 H MET A 25 4.282 -7.051 1.650 1.00 0.00 H new ATOM 0 HA MET A 25 3.672 -8.189 4.122 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.925 -6.777 2.821 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.901 -6.568 4.560 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.920 -9.218 3.076 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.276 -8.494 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.997 -10.872 6.788 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.393 -11.012 5.058 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.988 -9.622 5.998 1.00 0.00 H new ATOM 347 N LEU A 26 3.611 -4.853 4.246 1.00 0.00 N ATOM 348 CA LEU A 26 3.055 -3.781 5.079 1.00 0.00 C ATOM 349 C LEU A 26 1.546 -3.866 5.031 1.00 0.00 C ATOM 350 O LEU A 26 0.886 -3.865 6.059 1.00 0.00 O ATOM 351 CB LEU A 26 3.516 -2.384 4.659 1.00 0.00 C ATOM 352 CG LEU A 26 4.955 -2.034 5.037 1.00 0.00 C ATOM 353 CD1 LEU A 26 5.407 -0.775 4.314 1.00 0.00 C ATOM 354 CD2 LEU A 26 5.078 -1.855 6.543 1.00 0.00 C ATOM 0 H LEU A 26 4.074 -4.547 3.390 1.00 0.00 H new ATOM 0 HA LEU A 26 3.424 -3.928 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.408 -2.293 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.850 -1.648 5.109 1.00 0.00 H new ATOM 0 HG LEU A 26 5.602 -2.856 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.434 -0.542 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.354 -0.935 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.758 0.056 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.108 -1.606 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.419 -1.050 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.794 -2.781 7.044 1.00 0.00 H new ATOM 366 N GLY A 27 1.005 -3.977 3.819 1.00 0.00 N ATOM 367 CA GLY A 27 -0.405 -4.101 3.656 1.00 0.00 C ATOM 368 C GLY A 27 -0.925 -5.275 4.448 1.00 0.00 C ATOM 369 O GLY A 27 -2.030 -5.245 4.952 1.00 0.00 O ATOM 0 H GLY A 27 1.538 -3.982 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.897 -3.186 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.645 -4.231 2.601 1.00 0.00 H new ATOM 373 N GLU A 28 -0.118 -6.302 4.614 1.00 0.00 N ATOM 374 CA GLU A 28 -0.552 -7.442 5.398 1.00 0.00 C ATOM 375 C GLU A 28 -0.971 -6.965 6.786 1.00 0.00 C ATOM 376 O GLU A 28 -2.043 -7.318 7.285 1.00 0.00 O ATOM 377 CB GLU A 28 0.569 -8.479 5.507 1.00 0.00 C ATOM 378 CG GLU A 28 0.229 -9.812 4.859 1.00 0.00 C ATOM 379 CD GLU A 28 -0.358 -10.805 5.843 1.00 0.00 C ATOM 380 OE1 GLU A 28 0.425 -11.475 6.550 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.600 -10.912 5.909 1.00 0.00 O ATOM 0 H GLU A 28 0.823 -6.373 4.226 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.401 -7.915 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.470 -8.078 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.799 -8.644 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.480 -9.647 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.129 -10.236 4.414 1.00 0.00 H new ATOM 388 N ASN A 29 -0.133 -6.124 7.387 1.00 0.00 N ATOM 389 CA ASN A 29 -0.428 -5.582 8.712 1.00 0.00 C ATOM 390 C ASN A 29 -1.129 -4.231 8.613 1.00 0.00 C ATOM 391 O ASN A 29 -2.100 -3.961 9.325 1.00 0.00 O ATOM 392 CB ASN A 29 0.860 -5.441 9.525 1.00 0.00 C ATOM 393 CG ASN A 29 1.163 -6.678 10.346 1.00 0.00 C ATOM 394 OD1 ASN A 29 0.704 -7.776 10.030 1.00 0.00 O ATOM 395 ND2 ASN A 29 1.939 -6.508 11.410 1.00 0.00 N ATOM 0 H ASN A 29 0.748 -5.805 6.983 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.098 -6.278 9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.693 -5.243 8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.776 -4.580 10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.176 -7.305 12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.298 -5.581 11.636 1.00 0.00 H new ATOM 402 N LEU A 30 -0.627 -3.387 7.729 1.00 0.00 N ATOM 403 CA LEU A 30 -1.185 -2.062 7.532 1.00 0.00 C ATOM 404 C LEU A 30 -2.479 -2.096 6.716 1.00 0.00 C ATOM 405 O LEU A 30 -3.414 -1.377 7.035 1.00 0.00 O ATOM 406 CB LEU A 30 -0.155 -1.154 6.868 1.00 0.00 C ATOM 407 CG LEU A 30 0.997 -0.710 7.773 1.00 0.00 C ATOM 408 CD1 LEU A 30 0.483 0.178 8.895 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.724 -1.921 8.340 1.00 0.00 C ATOM 0 H LEU A 30 0.173 -3.599 7.132 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.437 -1.661 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.261 -1.673 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.664 -0.267 6.492 1.00 0.00 H new ATOM 0 HG LEU A 30 1.702 -0.133 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.316 0.484 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.007 1.062 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.243 -0.374 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.540 -1.588 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.027 -2.524 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.126 -2.520 7.523 1.00 0.00 H new ATOM 421 N TYR A 31 -2.550 -2.931 5.669 1.00 0.00 N ATOM 422 CA TYR A 31 -3.764 -3.017 4.855 1.00 0.00 C ATOM 423 C TYR A 31 -4.951 -3.235 5.765 1.00 0.00 C ATOM 424 O TYR A 31 -5.917 -2.502 5.690 1.00 0.00 O ATOM 425 CB TYR A 31 -3.688 -4.124 3.786 1.00 0.00 C ATOM 426 CG TYR A 31 -5.023 -4.727 3.387 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.655 -5.658 4.204 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.644 -4.375 2.196 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.865 -6.220 3.848 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.857 -4.933 1.835 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.462 -5.853 2.664 1.00 0.00 C ATOM 432 OH TYR A 31 -8.667 -6.410 2.305 1.00 0.00 O ATOM 0 H TYR A 31 -1.792 -3.546 5.372 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.873 -2.078 4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.211 -3.715 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.043 -4.921 4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.190 -5.947 5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.173 -3.655 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.340 -6.943 4.495 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.329 -4.649 0.906 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.310 -5.698 2.105 1.00 0.00 H new ATOM 442 N PRO A 32 -4.900 -4.202 6.685 1.00 0.00 N ATOM 443 CA PRO A 32 -6.016 -4.390 7.588 1.00 0.00 C ATOM 444 C PRO A 32 -6.310 -3.084 8.312 1.00 0.00 C ATOM 445 O PRO A 32 -7.466 -2.769 8.600 1.00 0.00 O ATOM 446 CB PRO A 32 -5.524 -5.450 8.577 1.00 0.00 C ATOM 447 CG PRO A 32 -4.393 -6.136 7.890 1.00 0.00 C ATOM 448 CD PRO A 32 -3.798 -5.135 6.937 1.00 0.00 C ATOM 0 HA PRO A 32 -6.932 -4.691 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.198 -4.994 9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.318 -6.154 8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.649 -6.474 8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.743 -7.019 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.936 -4.629 7.373 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.457 -5.610 6.017 1.00 0.00 H new ATOM 456 N LEU A 33 -5.257 -2.299 8.571 1.00 0.00 N ATOM 457 CA LEU A 33 -5.434 -1.009 9.219 1.00 0.00 C ATOM 458 C LEU A 33 -5.897 0.030 8.212 1.00 0.00 C ATOM 459 O LEU A 33 -6.862 0.760 8.441 1.00 0.00 O ATOM 460 CB LEU A 33 -4.127 -0.561 9.880 1.00 0.00 C ATOM 461 CG LEU A 33 -4.232 -0.245 11.373 1.00 0.00 C ATOM 462 CD1 LEU A 33 -4.483 -1.515 12.171 1.00 0.00 C ATOM 463 CD2 LEU A 33 -2.970 0.450 11.859 1.00 0.00 C ATOM 0 H LEU A 33 -4.291 -2.536 8.343 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.198 -1.111 9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.381 -1.343 9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.760 0.325 9.362 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.076 0.428 11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.555 -1.271 13.231 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.415 -1.974 11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.660 -2.212 12.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.061 0.668 12.923 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.110 -0.200 11.694 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.832 1.381 11.309 1.00 0.00 H new ATOM 475 N VAL A 34 -5.191 0.072 7.082 1.00 0.00 N ATOM 476 CA VAL A 34 -5.508 0.992 6.014 1.00 0.00 C ATOM 477 C VAL A 34 -6.704 0.524 5.235 1.00 0.00 C ATOM 478 O VAL A 34 -7.648 1.283 5.033 1.00 0.00 O ATOM 479 CB VAL A 34 -4.304 1.209 5.115 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.637 2.219 4.027 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.139 1.671 5.978 1.00 0.00 C ATOM 0 H VAL A 34 -4.390 -0.531 6.891 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.766 1.954 6.458 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.027 0.281 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.766 2.366 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.468 1.847 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.916 3.168 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.263 1.833 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.404 2.602 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.915 0.909 6.725 1.00 0.00 H new ATOM 491 N ASP A 35 -6.670 -0.745 4.828 1.00 0.00 N ATOM 492 CA ASP A 35 -7.792 -1.341 4.093 1.00 0.00 C ATOM 493 C ASP A 35 -9.125 -0.727 4.540 1.00 0.00 C ATOM 494 O ASP A 35 -9.782 -1.243 5.444 1.00 0.00 O ATOM 495 CB ASP A 35 -7.850 -2.858 4.295 1.00 0.00 C ATOM 496 CG ASP A 35 -9.043 -3.497 3.607 1.00 0.00 C ATOM 497 OD1 ASP A 35 -9.064 -3.529 2.360 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.958 -3.963 4.319 1.00 0.00 O ATOM 0 H ASP A 35 -5.887 -1.377 4.991 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.629 -1.130 3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.933 -3.306 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.891 -3.077 5.362 1.00 0.00 H new ATOM 503 N GLN A 36 -9.496 0.391 3.927 1.00 0.00 N ATOM 504 CA GLN A 36 -10.725 1.096 4.284 1.00 0.00 C ATOM 505 C GLN A 36 -11.967 0.247 4.044 1.00 0.00 C ATOM 506 O GLN A 36 -12.759 0.021 4.958 1.00 0.00 O ATOM 507 CB GLN A 36 -10.832 2.402 3.496 1.00 0.00 C ATOM 508 CG GLN A 36 -10.496 2.261 2.019 1.00 0.00 C ATOM 509 CD GLN A 36 -9.588 3.366 1.520 1.00 0.00 C ATOM 510 OE1 GLN A 36 -10.029 4.495 1.317 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.308 3.049 1.325 1.00 0.00 N ATOM 0 H GLN A 36 -8.962 0.831 3.178 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.674 1.312 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.846 2.791 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.164 3.139 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.016 1.297 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.419 2.264 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.985 2.099 1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.652 3.757 0.995 1.00 0.00 H new ATOM 520 N LEU A 37 -12.143 -0.203 2.811 1.00 0.00 N ATOM 521 CA LEU A 37 -13.310 -1.012 2.464 1.00 0.00 C ATOM 522 C LEU A 37 -13.013 -2.501 2.603 1.00 0.00 C ATOM 523 O LEU A 37 -11.971 -2.891 3.130 1.00 0.00 O ATOM 524 CB LEU A 37 -13.789 -0.698 1.041 1.00 0.00 C ATOM 525 CG LEU A 37 -13.494 0.723 0.551 1.00 0.00 C ATOM 526 CD1 LEU A 37 -12.333 0.721 -0.429 1.00 0.00 C ATOM 527 CD2 LEU A 37 -14.732 1.335 -0.089 1.00 0.00 C ATOM 0 H LEU A 37 -11.502 -0.026 2.038 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.106 -0.757 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.324 -1.405 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.865 -0.866 0.992 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.215 1.331 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.139 1.739 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.444 0.325 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.582 0.097 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.504 2.344 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.042 0.726 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.539 1.374 0.643 1.00 0.00 H new ATOM 539 N GLU A 38 -13.943 -3.329 2.137 1.00 0.00 N ATOM 540 CA GLU A 38 -13.791 -4.776 2.221 1.00 0.00 C ATOM 541 C GLU A 38 -13.106 -5.342 0.982 1.00 0.00 C ATOM 542 O GLU A 38 -13.501 -5.050 -0.146 1.00 0.00 O ATOM 543 CB GLU A 38 -15.156 -5.441 2.407 1.00 0.00 C ATOM 544 CG GLU A 38 -16.038 -4.746 3.432 1.00 0.00 C ATOM 545 CD GLU A 38 -16.972 -3.729 2.804 1.00 0.00 C ATOM 546 OE1 GLU A 38 -17.370 -3.931 1.637 1.00 0.00 O ATOM 547 OE2 GLU A 38 -17.305 -2.733 3.479 1.00 0.00 O ATOM 0 H GLU A 38 -14.810 -3.021 1.697 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.160 -4.991 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.674 -5.461 1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.007 -6.477 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.626 -5.493 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.409 -4.249 4.170 1.00 0.00 H new ATOM 554 N HIS A 39 -12.074 -6.158 1.218 1.00 0.00 N ATOM 555 CA HIS A 39 -11.291 -6.804 0.159 1.00 0.00 C ATOM 556 C HIS A 39 -11.993 -6.789 -1.201 1.00 0.00 C ATOM 557 O HIS A 39 -12.778 -7.680 -1.526 1.00 0.00 O ATOM 558 CB HIS A 39 -10.975 -8.244 0.561 1.00 0.00 C ATOM 559 CG HIS A 39 -12.190 -9.104 0.723 1.00 0.00 C ATOM 560 ND1 HIS A 39 -12.993 -9.068 1.843 1.00 0.00 N ATOM 561 CD2 HIS A 39 -12.741 -10.026 -0.101 1.00 0.00 C ATOM 562 CE1 HIS A 39 -13.984 -9.931 1.703 1.00 0.00 C ATOM 563 NE2 HIS A 39 -13.854 -10.525 0.532 1.00 0.00 N ATOM 0 H HIS A 39 -11.755 -6.391 2.158 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.372 -6.228 0.046 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.324 -8.688 -0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.418 -8.236 1.498 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.374 -10.316 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.766 -10.118 2.424 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -14.479 -11.239 0.157 1.00 0.00 H new ATOM 571 N ASP A 40 -11.686 -5.765 -1.986 1.00 0.00 N ATOM 572 CA ASP A 40 -12.251 -5.591 -3.318 1.00 0.00 C ATOM 573 C ASP A 40 -11.617 -4.368 -3.961 1.00 0.00 C ATOM 574 O ASP A 40 -10.732 -4.480 -4.809 1.00 0.00 O ATOM 575 CB ASP A 40 -13.768 -5.423 -3.241 1.00 0.00 C ATOM 576 CG ASP A 40 -14.506 -6.733 -3.427 1.00 0.00 C ATOM 577 OD1 ASP A 40 -14.530 -7.244 -4.567 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.062 -7.249 -2.435 1.00 0.00 O ATOM 0 H ASP A 40 -11.035 -5.028 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.042 -6.475 -3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.034 -4.993 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.091 -4.716 -4.005 1.00 0.00 H new ATOM 583 N GLN A 41 -12.046 -3.200 -3.506 1.00 0.00 N ATOM 584 CA GLN A 41 -11.499 -1.940 -3.980 1.00 0.00 C ATOM 585 C GLN A 41 -10.541 -1.389 -2.926 1.00 0.00 C ATOM 586 O GLN A 41 -9.627 -0.625 -3.231 1.00 0.00 O ATOM 587 CB GLN A 41 -12.618 -0.933 -4.263 1.00 0.00 C ATOM 588 CG GLN A 41 -13.507 -0.656 -3.061 1.00 0.00 C ATOM 589 CD GLN A 41 -14.983 -0.785 -3.385 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.736 0.187 -3.304 1.00 0.00 O ATOM 591 NE2 GLN A 41 -15.406 -1.989 -3.754 1.00 0.00 N ATOM 0 H GLN A 41 -12.778 -3.100 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.961 -2.109 -4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.175 0.004 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.234 -1.307 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.253 -1.349 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.307 0.349 -2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.748 -2.766 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.389 -2.136 -3.984 1.00 0.00 H new ATOM 600 N ALA A 42 -10.765 -1.807 -1.680 1.00 0.00 N ATOM 601 CA ALA A 42 -9.939 -1.391 -0.553 1.00 0.00 C ATOM 602 C ALA A 42 -8.507 -1.882 -0.704 1.00 0.00 C ATOM 603 O ALA A 42 -7.554 -1.142 -0.457 1.00 0.00 O ATOM 604 CB ALA A 42 -10.535 -1.926 0.735 1.00 0.00 C ATOM 0 H ALA A 42 -11.522 -2.442 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.918 -0.302 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.918 -1.615 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.544 -1.533 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.572 -3.015 0.694 1.00 0.00 H new ATOM 610 N ALA A 43 -8.366 -3.138 -1.108 1.00 0.00 N ATOM 611 CA ALA A 43 -7.055 -3.741 -1.291 1.00 0.00 C ATOM 612 C ALA A 43 -6.334 -3.128 -2.478 1.00 0.00 C ATOM 613 O ALA A 43 -5.107 -3.034 -2.491 1.00 0.00 O ATOM 614 CB ALA A 43 -7.186 -5.245 -1.473 1.00 0.00 C ATOM 0 H ALA A 43 -9.148 -3.760 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.464 -3.544 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.197 -5.683 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.657 -5.679 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.799 -5.453 -2.350 1.00 0.00 H new ATOM 620 N LYS A 44 -7.100 -2.726 -3.482 1.00 0.00 N ATOM 621 CA LYS A 44 -6.520 -2.142 -4.677 1.00 0.00 C ATOM 622 C LYS A 44 -5.915 -0.770 -4.398 1.00 0.00 C ATOM 623 O LYS A 44 -4.789 -0.504 -4.784 1.00 0.00 O ATOM 624 CB LYS A 44 -7.578 -2.026 -5.775 1.00 0.00 C ATOM 625 CG LYS A 44 -8.123 -3.366 -6.239 1.00 0.00 C ATOM 626 CD LYS A 44 -7.261 -3.968 -7.337 1.00 0.00 C ATOM 627 CE LYS A 44 -7.707 -3.503 -8.714 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.814 -2.443 -9.258 1.00 0.00 N ATOM 0 H LYS A 44 -8.118 -2.794 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.719 -2.802 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.403 -1.415 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.147 -1.503 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.170 -4.053 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.142 -3.239 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.219 -3.689 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.311 -5.056 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.721 -4.352 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.727 -3.124 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.963 -2.356 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.032 -1.536 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.822 -2.696 -9.073 1.00 0.00 H new ATOM 642 N VAL A 45 -6.660 0.114 -3.750 1.00 0.00 N ATOM 643 CA VAL A 45 -6.149 1.449 -3.474 1.00 0.00 C ATOM 644 C VAL A 45 -5.048 1.485 -2.408 1.00 0.00 C ATOM 645 O VAL A 45 -3.999 2.098 -2.617 1.00 0.00 O ATOM 646 CB VAL A 45 -7.300 2.389 -3.041 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.463 2.263 -4.003 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.763 2.090 -1.622 1.00 0.00 C ATOM 0 H VAL A 45 -7.605 -0.064 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.702 1.789 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.922 3.411 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.268 2.928 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.136 2.536 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.823 1.234 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.572 2.769 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.119 1.061 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.930 2.225 -0.932 1.00 0.00 H new ATOM 658 N THR A 46 -5.295 0.871 -1.253 1.00 0.00 N ATOM 659 CA THR A 46 -4.322 0.908 -0.164 1.00 0.00 C ATOM 660 C THR A 46 -3.065 0.089 -0.414 1.00 0.00 C ATOM 661 O THR A 46 -1.955 0.603 -0.316 1.00 0.00 O ATOM 662 CB THR A 46 -5.014 0.393 1.105 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.831 1.403 1.666 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.070 -0.090 2.198 1.00 0.00 C ATOM 0 H THR A 46 -6.147 0.349 -1.048 1.00 0.00 H new ATOM 0 HA THR A 46 -3.988 1.941 -0.069 1.00 0.00 H new ATOM 0 HB THR A 46 -5.593 -0.467 0.768 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.516 0.992 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.650 -0.434 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.462 -0.911 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.421 0.729 2.506 1.00 0.00 H new ATOM 672 N GLY A 47 -3.244 -1.184 -0.715 1.00 0.00 N ATOM 673 CA GLY A 47 -2.107 -2.054 -0.924 1.00 0.00 C ATOM 674 C GLY A 47 -1.395 -1.912 -2.265 1.00 0.00 C ATOM 675 O GLY A 47 -0.216 -2.238 -2.362 1.00 0.00 O ATOM 0 H GLY A 47 -4.154 -1.632 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.383 -1.871 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.440 -3.086 -0.820 1.00 0.00 H new ATOM 679 N MET A 48 -2.079 -1.445 -3.311 1.00 0.00 N ATOM 680 CA MET A 48 -1.421 -1.304 -4.615 1.00 0.00 C ATOM 681 C MET A 48 -0.313 -0.271 -4.530 1.00 0.00 C ATOM 682 O MET A 48 0.811 -0.508 -4.973 1.00 0.00 O ATOM 683 CB MET A 48 -2.409 -0.904 -5.710 1.00 0.00 C ATOM 684 CG MET A 48 -3.252 -2.062 -6.219 1.00 0.00 C ATOM 685 SD MET A 48 -2.384 -3.069 -7.439 1.00 0.00 S ATOM 686 CE MET A 48 -3.556 -4.403 -7.671 1.00 0.00 C ATOM 0 H MET A 48 -3.059 -1.165 -3.287 1.00 0.00 H new ATOM 0 HA MET A 48 -1.002 -2.276 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.069 -0.126 -5.326 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.858 -0.472 -6.545 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.546 -2.690 -5.378 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.169 -1.672 -6.661 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.028 -5.298 -7.999 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.066 -4.607 -6.730 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.288 -4.117 -8.426 1.00 0.00 H new ATOM 696 N LEU A 49 -0.634 0.871 -3.939 1.00 0.00 N ATOM 697 CA LEU A 49 0.336 1.941 -3.771 1.00 0.00 C ATOM 698 C LEU A 49 1.530 1.468 -2.949 1.00 0.00 C ATOM 699 O LEU A 49 2.578 2.112 -2.934 1.00 0.00 O ATOM 700 CB LEU A 49 -0.310 3.157 -3.108 1.00 0.00 C ATOM 701 CG LEU A 49 -1.029 4.118 -4.060 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.229 4.326 -5.337 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.423 3.603 -4.385 1.00 0.00 C ATOM 0 H LEU A 49 -1.561 1.080 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 49 0.690 2.230 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.025 2.807 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.461 3.711 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.121 5.081 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.764 5.012 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.747 4.745 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.096 3.370 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.919 4.298 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.348 2.625 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.002 3.516 -3.466 1.00 0.00 H new ATOM 715 N LEU A 50 1.357 0.351 -2.248 1.00 0.00 N ATOM 716 CA LEU A 50 2.411 -0.192 -1.408 1.00 0.00 C ATOM 717 C LEU A 50 3.704 -0.427 -2.200 1.00 0.00 C ATOM 718 O LEU A 50 4.784 -0.535 -1.622 1.00 0.00 O ATOM 719 CB LEU A 50 1.945 -1.490 -0.767 1.00 0.00 C ATOM 720 CG LEU A 50 1.176 -1.286 0.530 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.612 -2.601 1.056 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.087 -0.629 1.561 1.00 0.00 C ATOM 0 H LEU A 50 0.495 -0.194 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 50 2.630 0.540 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.313 -2.028 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.812 -2.120 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 50 0.327 -0.631 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.069 -2.419 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.065 -3.028 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.429 -3.298 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.538 -0.482 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.949 -1.270 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.427 0.336 1.184 1.00 0.00 H new ATOM 734 N GLU A 51 3.599 -0.493 -3.525 1.00 0.00 N ATOM 735 CA GLU A 51 4.779 -0.693 -4.367 1.00 0.00 C ATOM 736 C GLU A 51 4.794 0.276 -5.551 1.00 0.00 C ATOM 737 O GLU A 51 5.753 0.305 -6.321 1.00 0.00 O ATOM 738 CB GLU A 51 4.859 -2.135 -4.873 1.00 0.00 C ATOM 739 CG GLU A 51 3.536 -2.692 -5.365 1.00 0.00 C ATOM 740 CD GLU A 51 3.435 -2.705 -6.878 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.008 -1.798 -7.519 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.782 -3.620 -7.422 1.00 0.00 O ATOM 0 H GLU A 51 2.720 -0.412 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 51 5.652 -0.491 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.586 -2.185 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.233 -2.770 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.410 -3.707 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.720 -2.096 -4.955 1.00 0.00 H new ATOM 749 N MET A 52 3.735 1.072 -5.689 1.00 0.00 N ATOM 750 CA MET A 52 3.649 2.040 -6.778 1.00 0.00 C ATOM 751 C MET A 52 4.579 3.223 -6.525 1.00 0.00 C ATOM 752 O MET A 52 5.589 3.388 -7.211 1.00 0.00 O ATOM 753 CB MET A 52 2.210 2.531 -6.942 1.00 0.00 C ATOM 754 CG MET A 52 1.207 1.412 -7.174 1.00 0.00 C ATOM 755 SD MET A 52 0.786 1.208 -8.916 1.00 0.00 S ATOM 756 CE MET A 52 -0.317 -0.201 -8.834 1.00 0.00 C ATOM 0 H MET A 52 2.929 1.065 -5.063 1.00 0.00 H new ATOM 0 HA MET A 52 3.961 1.545 -7.698 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.921 3.087 -6.050 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.166 3.227 -7.780 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.616 0.477 -6.791 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.300 1.619 -6.607 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.234 -0.782 -9.753 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.046 -0.826 -7.983 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.343 0.147 -8.716 1.00 0.00 H new ATOM 766 N ASP A 53 4.235 4.042 -5.535 1.00 0.00 N ATOM 767 CA ASP A 53 5.045 5.207 -5.192 1.00 0.00 C ATOM 768 C ASP A 53 5.517 5.131 -3.743 1.00 0.00 C ATOM 769 O ASP A 53 4.730 4.844 -2.843 1.00 0.00 O ATOM 770 CB ASP A 53 4.248 6.494 -5.416 1.00 0.00 C ATOM 771 CG ASP A 53 4.269 6.942 -6.864 1.00 0.00 C ATOM 772 OD1 ASP A 53 5.190 7.698 -7.239 1.00 0.00 O ATOM 773 OD2 ASP A 53 3.365 6.536 -7.624 1.00 0.00 O ATOM 0 H ASP A 53 3.403 3.921 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 53 5.921 5.215 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.216 6.338 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.657 7.285 -4.788 1.00 0.00 H new ATOM 778 N GLN A 54 6.806 5.386 -3.527 1.00 0.00 N ATOM 779 CA GLN A 54 7.387 5.340 -2.186 1.00 0.00 C ATOM 780 C GLN A 54 6.615 6.233 -1.216 1.00 0.00 C ATOM 781 O GLN A 54 6.381 5.862 -0.065 1.00 0.00 O ATOM 782 CB GLN A 54 8.856 5.766 -2.229 1.00 0.00 C ATOM 783 CG GLN A 54 9.637 5.381 -0.983 1.00 0.00 C ATOM 784 CD GLN A 54 10.203 3.976 -1.062 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.221 3.739 -1.712 1.00 0.00 O ATOM 786 NE2 GLN A 54 9.542 3.034 -0.396 1.00 0.00 N ATOM 0 H GLN A 54 7.469 5.627 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 54 7.321 4.312 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.331 5.315 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.909 6.847 -2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.452 6.090 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.986 5.458 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.702 3.275 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.875 2.070 -0.411 1.00 0.00 H new ATOM 795 N THR A 55 6.216 7.406 -1.689 1.00 0.00 N ATOM 796 CA THR A 55 5.462 8.342 -0.870 1.00 0.00 C ATOM 797 C THR A 55 4.058 7.807 -0.614 1.00 0.00 C ATOM 798 O THR A 55 3.509 7.972 0.475 1.00 0.00 O ATOM 799 CB THR A 55 5.391 9.713 -1.546 1.00 0.00 C ATOM 800 OG1 THR A 55 4.418 10.530 -0.921 1.00 0.00 O ATOM 801 CG2 THR A 55 5.052 9.644 -3.021 1.00 0.00 C ATOM 0 H THR A 55 6.403 7.731 -2.637 1.00 0.00 H new ATOM 0 HA THR A 55 5.975 8.455 0.085 1.00 0.00 H new ATOM 0 HB THR A 55 6.391 10.134 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.539 10.354 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.019 10.652 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.813 9.063 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.080 9.167 -3.149 1.00 0.00 H new ATOM 809 N GLU A 56 3.485 7.160 -1.626 1.00 0.00 N ATOM 810 CA GLU A 56 2.147 6.597 -1.508 1.00 0.00 C ATOM 811 C GLU A 56 2.155 5.363 -0.613 1.00 0.00 C ATOM 812 O GLU A 56 1.302 5.221 0.257 1.00 0.00 O ATOM 813 CB GLU A 56 1.582 6.248 -2.887 1.00 0.00 C ATOM 814 CG GLU A 56 1.137 7.460 -3.693 1.00 0.00 C ATOM 815 CD GLU A 56 2.179 8.561 -3.726 1.00 0.00 C ATOM 816 OE1 GLU A 56 2.357 9.240 -2.693 1.00 0.00 O ATOM 817 OE2 GLU A 56 2.816 8.745 -4.784 1.00 0.00 O ATOM 0 H GLU A 56 3.927 7.014 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 56 1.505 7.350 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.339 5.705 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.734 5.575 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.912 7.149 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.213 7.853 -3.268 1.00 0.00 H new ATOM 824 N VAL A 57 3.126 4.472 -0.814 1.00 0.00 N ATOM 825 CA VAL A 57 3.222 3.263 0.004 1.00 0.00 C ATOM 826 C VAL A 57 3.330 3.630 1.475 1.00 0.00 C ATOM 827 O VAL A 57 2.646 3.062 2.326 1.00 0.00 O ATOM 828 CB VAL A 57 4.449 2.399 -0.378 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.712 3.239 -0.402 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.614 1.228 0.587 1.00 0.00 C ATOM 0 H VAL A 57 3.849 4.562 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 57 2.317 2.684 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 57 4.277 2.000 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.561 2.612 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.603 4.038 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.880 3.671 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.483 0.637 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.755 1.608 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.722 0.602 0.555 1.00 0.00 H new ATOM 840 N LEU A 58 4.197 4.588 1.761 1.00 0.00 N ATOM 841 CA LEU A 58 4.408 5.044 3.120 1.00 0.00 C ATOM 842 C LEU A 58 3.140 5.691 3.670 1.00 0.00 C ATOM 843 O LEU A 58 2.727 5.419 4.794 1.00 0.00 O ATOM 844 CB LEU A 58 5.580 6.036 3.145 1.00 0.00 C ATOM 845 CG LEU A 58 5.699 6.900 4.406 1.00 0.00 C ATOM 846 CD1 LEU A 58 6.659 6.264 5.399 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.159 8.305 4.044 1.00 0.00 C ATOM 0 H LEU A 58 4.768 5.066 1.063 1.00 0.00 H new ATOM 0 HA LEU A 58 4.649 4.191 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.507 5.476 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.490 6.696 2.283 1.00 0.00 H new ATOM 0 HG LEU A 58 4.717 6.967 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.731 6.891 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.291 5.277 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.644 6.167 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.239 8.906 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.132 8.255 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.436 8.762 3.368 1.00 0.00 H new ATOM 859 N HIS A 59 2.543 6.561 2.866 1.00 0.00 N ATOM 860 CA HIS A 59 1.333 7.278 3.253 1.00 0.00 C ATOM 861 C HIS A 59 0.084 6.390 3.308 1.00 0.00 C ATOM 862 O HIS A 59 -0.706 6.485 4.248 1.00 0.00 O ATOM 863 CB HIS A 59 1.092 8.440 2.291 1.00 0.00 C ATOM 864 CG HIS A 59 1.991 9.614 2.531 1.00 0.00 C ATOM 865 ND1 HIS A 59 3.166 9.709 3.199 1.00 0.00 N flip ATOM 866 CD2 HIS A 59 1.718 10.881 2.062 1.00 0.00 C flip ATOM 867 CE1 HIS A 59 3.575 11.018 3.119 1.00 0.00 C flip ATOM 868 NE2 HIS A 59 2.684 11.704 2.427 1.00 0.00 N flip ATOM 0 H HIS A 59 2.881 6.790 1.931 1.00 0.00 H new ATOM 0 HA HIS A 59 1.501 7.643 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.232 8.089 1.269 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.055 8.764 2.378 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.848 11.158 1.485 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.479 11.421 3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.733 12.700 2.211 1.00 0.00 H new ATOM 876 N LEU A 60 -0.132 5.582 2.270 1.00 0.00 N ATOM 877 CA LEU A 60 -1.337 4.751 2.190 1.00 0.00 C ATOM 878 C LEU A 60 -1.444 3.707 3.297 1.00 0.00 C ATOM 879 O LEU A 60 -2.513 3.537 3.862 1.00 0.00 O ATOM 880 CB LEU A 60 -1.418 4.053 0.829 1.00 0.00 C ATOM 881 CG LEU A 60 -2.328 4.736 -0.193 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.758 4.809 0.329 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.804 6.128 -0.520 1.00 0.00 C ATOM 0 H LEU A 60 0.504 5.484 1.479 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.174 5.437 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.413 3.986 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.769 3.032 0.981 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.329 4.144 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.391 5.298 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.129 3.801 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.778 5.380 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.461 6.602 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.776 6.729 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.799 6.050 -0.935 1.00 0.00 H new ATOM 895 N LEU A 61 -0.360 3.009 3.611 1.00 0.00 N ATOM 896 CA LEU A 61 -0.407 1.984 4.657 1.00 0.00 C ATOM 897 C LEU A 61 0.107 2.533 5.983 1.00 0.00 C ATOM 898 O LEU A 61 0.779 1.831 6.738 1.00 0.00 O ATOM 899 CB LEU A 61 0.393 0.752 4.231 1.00 0.00 C ATOM 900 CG LEU A 61 -0.309 -0.148 3.201 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.482 -0.910 3.801 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.779 0.676 2.021 1.00 0.00 C ATOM 0 H LEU A 61 0.551 3.127 3.167 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.446 1.688 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.346 1.081 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.619 0.159 5.117 1.00 0.00 H new ATOM 0 HG LEU A 61 0.422 -0.884 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.944 -1.531 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.127 -1.543 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.217 -0.203 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.274 0.027 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.479 1.438 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.078 1.157 1.549 1.00 0.00 H new ATOM 914 N GLU A 62 -0.220 3.796 6.263 1.00 0.00 N ATOM 915 CA GLU A 62 0.205 4.442 7.502 1.00 0.00 C ATOM 916 C GLU A 62 -0.730 5.589 7.888 1.00 0.00 C ATOM 917 O GLU A 62 -1.140 5.700 9.044 1.00 0.00 O ATOM 918 CB GLU A 62 1.633 4.975 7.375 1.00 0.00 C ATOM 919 CG GLU A 62 2.669 3.905 7.066 1.00 0.00 C ATOM 920 CD GLU A 62 2.816 2.896 8.189 1.00 0.00 C ATOM 921 OE1 GLU A 62 2.724 3.300 9.367 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.023 1.701 7.890 1.00 0.00 O ATOM 0 H GLU A 62 -0.777 4.389 5.648 1.00 0.00 H new ATOM 0 HA GLU A 62 0.169 3.685 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.659 5.729 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.907 5.474 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.388 3.386 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.632 4.380 6.880 1.00 0.00 H new ATOM 929 N SER A 63 -1.053 6.453 6.925 1.00 0.00 N ATOM 930 CA SER A 63 -1.923 7.596 7.192 1.00 0.00 C ATOM 931 C SER A 63 -3.334 7.370 6.654 1.00 0.00 C ATOM 932 O SER A 63 -3.529 6.648 5.677 1.00 0.00 O ATOM 933 CB SER A 63 -1.331 8.864 6.575 1.00 0.00 C ATOM 934 OG SER A 63 0.047 8.987 6.883 1.00 0.00 O ATOM 0 H SER A 63 -0.728 6.383 5.961 1.00 0.00 H new ATOM 0 HA SER A 63 -1.990 7.713 8.274 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.464 8.842 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.869 9.737 6.945 1.00 0.00 H new ATOM 0 HG SER A 63 0.402 9.805 6.475 1.00 0.00 H new ATOM 940 N PRO A 64 -4.341 7.998 7.291 1.00 0.00 N ATOM 941 CA PRO A 64 -5.742 7.875 6.880 1.00 0.00 C ATOM 942 C PRO A 64 -6.074 8.774 5.691 1.00 0.00 C ATOM 943 O PRO A 64 -6.913 8.436 4.856 1.00 0.00 O ATOM 944 CB PRO A 64 -6.500 8.333 8.122 1.00 0.00 C ATOM 945 CG PRO A 64 -5.598 9.330 8.764 1.00 0.00 C ATOM 946 CD PRO A 64 -4.190 8.881 8.465 1.00 0.00 C ATOM 0 HA PRO A 64 -5.993 6.866 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.460 8.778 7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.708 7.498 8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.779 10.330 8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.772 9.376 9.839 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.538 9.727 8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.752 8.350 9.310 1.00 0.00 H new ATOM 954 N ASP A 65 -5.408 9.921 5.622 1.00 0.00 N ATOM 955 CA ASP A 65 -5.624 10.871 4.540 1.00 0.00 C ATOM 956 C ASP A 65 -5.079 10.328 3.223 1.00 0.00 C ATOM 957 O ASP A 65 -5.513 10.727 2.142 1.00 0.00 O ATOM 958 CB ASP A 65 -4.964 12.211 4.881 1.00 0.00 C ATOM 959 CG ASP A 65 -3.492 12.261 4.506 1.00 0.00 C ATOM 960 OD1 ASP A 65 -2.669 11.691 5.253 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.165 12.870 3.466 1.00 0.00 O ATOM 0 H ASP A 65 -4.711 10.215 6.306 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.697 11.024 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.492 13.012 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.068 12.399 5.950 1.00 0.00 H new ATOM 966 N ALA A 66 -4.118 9.419 3.329 1.00 0.00 N ATOM 967 CA ALA A 66 -3.495 8.816 2.158 1.00 0.00 C ATOM 968 C ALA A 66 -4.505 8.009 1.346 1.00 0.00 C ATOM 969 O ALA A 66 -4.460 7.995 0.116 1.00 0.00 O ATOM 970 CB ALA A 66 -2.338 7.931 2.586 1.00 0.00 C ATOM 0 H ALA A 66 -3.752 9.082 4.219 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.119 9.617 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.877 7.484 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.599 8.530 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.706 7.143 3.243 1.00 0.00 H new ATOM 976 N LEU A 67 -5.410 7.338 2.047 1.00 0.00 N ATOM 977 CA LEU A 67 -6.433 6.521 1.406 1.00 0.00 C ATOM 978 C LEU A 67 -7.310 7.353 0.472 1.00 0.00 C ATOM 979 O LEU A 67 -7.589 6.951 -0.656 1.00 0.00 O ATOM 980 CB LEU A 67 -7.297 5.852 2.477 1.00 0.00 C ATOM 981 CG LEU A 67 -6.568 4.820 3.344 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.801 5.503 4.463 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.552 3.809 3.916 1.00 0.00 C ATOM 0 H LEU A 67 -5.456 7.344 3.066 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.935 5.760 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.708 6.625 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.141 5.364 1.989 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.855 4.290 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.291 4.752 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.066 6.186 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.495 6.062 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.015 3.085 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.290 4.326 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.057 3.291 3.101 1.00 0.00 H new ATOM 995 N LYS A 68 -7.738 8.513 0.951 1.00 0.00 N ATOM 996 CA LYS A 68 -8.590 9.408 0.170 1.00 0.00 C ATOM 997 C LYS A 68 -7.961 9.770 -1.176 1.00 0.00 C ATOM 998 O LYS A 68 -8.663 9.962 -2.169 1.00 0.00 O ATOM 999 CB LYS A 68 -8.878 10.681 0.968 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.268 10.712 1.584 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.210 11.605 0.792 1.00 0.00 C ATOM 1002 CE LYS A 68 -11.133 13.048 1.260 1.00 0.00 C ATOM 1003 NZ LYS A 68 -9.803 13.655 0.975 1.00 0.00 N ATOM 0 H LYS A 68 -7.509 8.860 1.882 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.522 8.880 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.136 10.779 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.760 11.545 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.672 9.700 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.204 11.070 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.960 11.551 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.232 11.241 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.911 13.631 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.331 13.093 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.857 14.686 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.095 13.262 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.527 13.442 -0.005 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.645 9.903 -1.188 1.00 0.00 N ATOM 1018 CA ALA A 69 -5.912 10.290 -2.390 1.00 0.00 C ATOM 1019 C ALA A 69 -5.940 9.244 -3.503 1.00 0.00 C ATOM 1020 O ALA A 69 -6.256 9.555 -4.652 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.472 10.509 -2.008 1.00 0.00 C ATOM 0 H ALA A 69 -6.054 9.748 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.397 11.186 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.902 10.800 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.410 11.299 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.060 9.587 -1.597 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.570 8.015 -3.165 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.511 6.940 -4.148 1.00 0.00 C ATOM 1029 C LYS A 70 -6.885 6.374 -4.447 1.00 0.00 C ATOM 1030 O LYS A 70 -7.159 5.946 -5.566 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.585 5.828 -3.658 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.256 6.340 -3.134 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.463 7.053 -4.219 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.752 8.545 -4.233 1.00 0.00 C ATOM 1035 NZ LYS A 70 -1.833 9.279 -5.146 1.00 0.00 N ATOM 0 H LYS A 70 -5.307 7.738 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.116 7.362 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.087 5.268 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.401 5.131 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.431 7.023 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.672 5.506 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.397 6.890 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.708 6.625 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.783 8.712 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.655 8.943 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.062 10.293 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.850 9.140 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.943 8.917 -6.115 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.741 6.360 -3.442 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.087 5.822 -3.618 1.00 0.00 C ATOM 1051 C VAL A 71 -9.842 6.563 -4.715 1.00 0.00 C ATOM 1052 O VAL A 71 -10.433 5.944 -5.598 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.915 5.865 -2.319 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.296 4.969 -1.260 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.051 7.290 -1.816 1.00 0.00 C ATOM 0 H VAL A 71 -7.537 6.709 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.956 4.779 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.915 5.489 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.895 5.013 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.265 3.942 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.283 5.308 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.639 7.297 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.062 7.701 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.550 7.896 -2.572 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.821 7.890 -4.660 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.510 8.703 -5.655 1.00 0.00 C ATOM 1067 C ALA A 72 -10.018 8.385 -7.064 1.00 0.00 C ATOM 1068 O ALA A 72 -10.815 8.219 -7.988 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.320 10.181 -5.350 1.00 0.00 C ATOM 0 H ALA A 72 -9.336 8.424 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.573 8.465 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.839 10.777 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.727 10.404 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.257 10.422 -5.367 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.701 8.305 -7.222 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.101 8.011 -8.519 1.00 0.00 C ATOM 1077 C GLU A 73 -8.298 6.547 -8.914 1.00 0.00 C ATOM 1078 O GLU A 73 -8.726 6.248 -10.029 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.609 8.345 -8.497 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.321 9.835 -8.396 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.507 10.353 -9.566 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.964 10.202 -10.720 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -4.415 10.911 -9.331 1.00 0.00 O ATOM 0 H GLU A 73 -8.028 8.440 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.603 8.630 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.143 7.835 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.144 7.954 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.263 10.381 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.785 10.035 -7.468 1.00 0.00 H new ATOM 1090 N ALA A 74 -7.965 5.642 -7.999 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.088 4.210 -8.258 1.00 0.00 C ATOM 1092 C ALA A 74 -9.543 3.781 -8.428 1.00 0.00 C ATOM 1093 O ALA A 74 -9.889 3.113 -9.401 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.428 3.414 -7.143 1.00 0.00 C ATOM 0 H ALA A 74 -7.608 5.874 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.576 4.003 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.527 2.348 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.371 3.676 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.912 3.647 -6.194 1.00 0.00 H new ATOM 1100 N MET A 75 -10.393 4.158 -7.477 1.00 0.00 N ATOM 1101 CA MET A 75 -11.801 3.797 -7.535 1.00 0.00 C ATOM 1102 C MET A 75 -12.450 4.316 -8.814 1.00 0.00 C ATOM 1103 O MET A 75 -13.428 3.750 -9.301 1.00 0.00 O ATOM 1104 CB MET A 75 -12.534 4.353 -6.316 1.00 0.00 C ATOM 1105 CG MET A 75 -12.011 3.815 -4.993 1.00 0.00 C ATOM 1106 SD MET A 75 -13.158 2.671 -4.201 1.00 0.00 S ATOM 1107 CE MET A 75 -13.600 3.595 -2.732 1.00 0.00 C ATOM 0 H MET A 75 -10.130 4.711 -6.661 1.00 0.00 H new ATOM 0 HA MET A 75 -11.872 2.709 -7.534 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.449 5.440 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.595 4.116 -6.401 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.060 3.310 -5.162 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.814 4.649 -4.319 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.587 3.283 -2.389 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.867 3.405 -1.948 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.616 4.660 -2.963 1.00 0.00 H new ATOM 1117 N GLU A 76 -11.902 5.396 -9.356 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.432 5.989 -10.576 1.00 0.00 C ATOM 1119 C GLU A 76 -12.346 5.016 -11.749 1.00 0.00 C ATOM 1120 O GLU A 76 -13.271 4.919 -12.554 1.00 0.00 O ATOM 1121 CB GLU A 76 -11.677 7.277 -10.911 1.00 0.00 C ATOM 1122 CG GLU A 76 -12.367 8.535 -10.408 1.00 0.00 C ATOM 1123 CD GLU A 76 -13.558 8.926 -11.261 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -13.365 9.186 -12.467 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -14.683 8.973 -10.722 1.00 0.00 O ATOM 0 H GLU A 76 -11.091 5.879 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.483 6.222 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.677 7.224 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.556 7.347 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.696 8.379 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.651 9.356 -10.392 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.226 4.306 -11.852 1.00 0.00 N ATOM 1133 CA VAL A 77 -11.027 3.355 -12.941 1.00 0.00 C ATOM 1134 C VAL A 77 -11.833 2.072 -12.741 1.00 0.00 C ATOM 1135 O VAL A 77 -12.326 1.488 -13.706 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.533 3.007 -13.127 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -8.952 2.391 -11.864 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -9.342 2.079 -14.319 1.00 0.00 C ATOM 0 H VAL A 77 -10.446 4.371 -11.198 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.389 3.848 -13.844 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.994 3.934 -13.324 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.900 2.156 -12.024 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.045 3.097 -11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.495 1.477 -11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.283 1.846 -14.433 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.901 1.157 -14.156 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.705 2.568 -15.223 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.966 1.629 -11.494 1.00 0.00 N ATOM 1149 CA LEU A 78 -12.716 0.410 -11.204 1.00 0.00 C ATOM 1150 C LEU A 78 -14.192 0.715 -10.966 1.00 0.00 C ATOM 1151 O LEU A 78 -15.050 0.312 -11.751 1.00 0.00 O ATOM 1152 CB LEU A 78 -12.128 -0.326 -9.994 1.00 0.00 C ATOM 1153 CG LEU A 78 -11.605 0.567 -8.864 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -12.250 0.189 -7.540 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -10.089 0.470 -8.764 1.00 0.00 C ATOM 0 H LEU A 78 -11.569 2.090 -10.675 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.634 -0.238 -12.076 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.893 -0.986 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.311 -0.960 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.870 1.599 -9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.865 0.835 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.331 0.311 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.017 -0.850 -7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.736 1.111 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.803 -0.562 -8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.641 0.791 -9.704 1.00 0.00 H new ATOM 1167 N ARG A 79 -14.483 1.425 -9.883 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.828 1.784 -9.537 1.00 0.00 C ATOM 1169 C ARG A 79 -16.462 2.646 -10.629 1.00 0.00 C ATOM 1170 O ARG A 79 -17.671 2.581 -10.857 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.772 2.495 -8.182 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.548 3.795 -8.099 1.00 0.00 C ATOM 1173 CD ARG A 79 -17.499 3.811 -6.912 1.00 0.00 C ATOM 1174 NE ARG A 79 -18.894 3.680 -7.327 1.00 0.00 N ATOM 1175 CZ ARG A 79 -19.617 4.684 -7.818 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -19.084 5.891 -7.958 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -20.880 4.479 -8.171 1.00 0.00 N ATOM 0 H ARG A 79 -13.781 1.763 -9.225 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.463 0.902 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.151 1.816 -7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.729 2.698 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.851 4.629 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.113 3.940 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.245 2.997 -6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.371 4.741 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.339 2.767 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.114 6.054 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.644 6.655 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.295 3.553 -8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.435 5.247 -8.547 1.00 0.00 H new ATOM 1191 N SER A 80 -15.644 3.452 -11.302 1.00 0.00 N ATOM 1192 CA SER A 80 -16.138 4.320 -12.366 1.00 0.00 C ATOM 1193 C SER A 80 -15.535 3.932 -13.713 1.00 0.00 C ATOM 1194 O SER A 80 -14.921 2.872 -13.846 1.00 0.00 O ATOM 1195 CB SER A 80 -15.817 5.783 -12.047 1.00 0.00 C ATOM 1196 OG SER A 80 -16.987 6.582 -12.085 1.00 0.00 O ATOM 0 H SER A 80 -14.641 3.522 -11.130 1.00 0.00 H new ATOM 0 HA SER A 80 -17.219 4.198 -12.429 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.358 5.851 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.089 6.164 -12.764 1.00 0.00 H new ATOM 0 HG SER A 80 -16.756 7.511 -11.876 1.00 0.00 H new ATOM 1202 N ALA A 81 -15.715 4.795 -14.708 1.00 0.00 N ATOM 1203 CA ALA A 81 -15.190 4.541 -16.045 1.00 0.00 C ATOM 1204 C ALA A 81 -13.677 4.352 -16.016 1.00 0.00 C ATOM 1205 O ALA A 81 -13.009 4.761 -15.067 1.00 0.00 O ATOM 1206 CB ALA A 81 -15.562 5.681 -16.981 1.00 0.00 C ATOM 0 H ALA A 81 -16.220 5.676 -14.614 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.637 3.618 -16.415 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.164 5.480 -17.976 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.647 5.768 -17.035 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -15.141 6.613 -16.604 1.00 0.00 H new ATOM 1212 N GLN A 82 -13.144 3.728 -17.061 1.00 0.00 N ATOM 1213 CA GLN A 82 -11.709 3.483 -17.155 1.00 0.00 C ATOM 1214 C GLN A 82 -11.194 3.790 -18.557 1.00 0.00 C ATOM 1215 O GLN A 82 -11.972 3.905 -19.505 1.00 0.00 O ATOM 1216 CB GLN A 82 -11.393 2.031 -16.790 1.00 0.00 C ATOM 1217 CG GLN A 82 -12.341 1.024 -17.422 1.00 0.00 C ATOM 1218 CD GLN A 82 -13.090 0.200 -16.393 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -12.490 -0.380 -15.489 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -14.410 0.145 -16.526 1.00 0.00 N ATOM 0 H GLN A 82 -13.684 3.383 -17.855 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.207 4.146 -16.450 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.373 1.801 -17.099 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.430 1.921 -15.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -13.058 1.551 -18.051 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.775 0.358 -18.073 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.867 0.642 -17.291 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.967 -0.394 -15.863 1.00 0.00 H new ATOM 1229 N GLN A 83 -9.878 3.921 -18.682 1.00 0.00 N ATOM 1230 CA GLN A 83 -9.257 4.214 -19.968 1.00 0.00 C ATOM 1231 C GLN A 83 -8.469 3.011 -20.479 1.00 0.00 C ATOM 1232 O GLN A 83 -8.354 2.798 -21.685 1.00 0.00 O ATOM 1233 CB GLN A 83 -8.336 5.432 -19.848 1.00 0.00 C ATOM 1234 CG GLN A 83 -8.661 6.539 -20.837 1.00 0.00 C ATOM 1235 CD GLN A 83 -7.653 6.628 -21.966 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -7.075 7.687 -22.215 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -7.436 5.515 -22.655 1.00 0.00 N ATOM 0 H GLN A 83 -9.220 3.829 -17.908 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.048 4.436 -20.684 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.403 5.830 -18.835 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.304 5.113 -19.998 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.654 6.369 -21.254 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.696 7.493 -20.310 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.937 4.660 -22.414 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.768 5.514 -23.426 1.00 0.00 H new ATOM 1246 N HIS A 84 -7.930 2.225 -19.551 1.00 0.00 N ATOM 1247 CA HIS A 84 -7.153 1.043 -19.907 1.00 0.00 C ATOM 1248 C HIS A 84 -5.922 1.425 -20.722 1.00 0.00 C ATOM 1249 O HIS A 84 -5.957 1.431 -21.953 1.00 0.00 O ATOM 1250 CB HIS A 84 -8.017 0.058 -20.697 1.00 0.00 C ATOM 1251 CG HIS A 84 -8.811 -0.869 -19.830 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -9.249 -2.106 -20.253 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -9.248 -0.736 -18.555 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -9.919 -2.694 -19.280 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -9.933 -1.884 -18.237 1.00 0.00 N ATOM 0 H HIS A 84 -8.017 2.386 -18.548 1.00 0.00 H new ATOM 0 HA HIS A 84 -6.821 0.566 -18.985 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.699 0.618 -21.337 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.376 -0.531 -21.353 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.088 0.114 -17.908 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.378 -3.671 -19.328 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.380 -2.079 -17.341 1.00 0.00 H new ATOM 1263 N THR A 85 -4.834 1.743 -20.028 1.00 0.00 N ATOM 1264 CA THR A 85 -3.591 2.125 -20.687 1.00 0.00 C ATOM 1265 C THR A 85 -2.386 1.539 -19.958 1.00 0.00 C ATOM 1266 O THR A 85 -1.253 1.987 -20.234 1.00 0.00 O ATOM 1267 CB THR A 85 -3.471 3.649 -20.750 1.00 0.00 C ATOM 1268 OG1 THR A 85 -3.302 4.192 -19.454 1.00 0.00 O ATOM 1269 CG2 THR A 85 -4.676 4.318 -21.376 1.00 0.00 C ATOM 1270 OXT THR A 85 -2.585 0.636 -19.118 1.00 0.00 O ATOM 0 H THR A 85 -4.788 1.744 -19.009 1.00 0.00 H new ATOM 0 HA THR A 85 -3.609 1.726 -21.701 1.00 0.00 H new ATOM 0 HB THR A 85 -2.601 3.845 -21.376 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.225 5.167 -19.515 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.526 5.398 -21.390 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.804 3.956 -22.396 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.567 4.083 -20.793 1.00 0.00 H new TER 1278 THR A 85