USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 hydrogens (21 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 27 SER OG : rot 76:sc= -1.65! USER MOD Set 1.2: A 63 LYS NZ :NH3+ -177:sc= -0.198 (180deg=0) USER MOD Set 1.3: A 64 ASN :FLIP amide:sc= -0.498 F(o=-4.9!,f=-2.4) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -1.93! C(o=-4.9!,f=-7.8!) USER MOD Set 2.2: A 88 PNS S44 : rot 3:sc= -3! USER MOD Set 3.1: A 23 THR OG1 : rot -35:sc= 0.768 USER MOD Set 3.2: A 26 THR OG1 : rot -160:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.21 (180deg=0.401!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.45 USER MOD Single : A 13 GLN : amide:sc= -0.351 K(o=-0.35,f=-4!) USER MOD Single : A 19 SER OG : rot 24:sc= 0.519 USER MOD Single : A 29 ASN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.125 USER MOD Single : A 40 MET CE :methyl -173:sc= 0 (180deg=-0.0548) USER MOD Single : A 41 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.52) USER MOD Single : A 45 SER OG : rot 84:sc= 1.29 USER MOD Single : A 49 HIS :FLIP no HE2:sc= 0.148 F(o=-0.56,f=0.15) USER MOD Single : A 50 TYR OH : rot -140:sc= -0.0663 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0.44 (180deg=0.4) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc=-0.000516 (180deg=-0.0677) USER MOD Single : A 60 GLN : amide:sc= -0.473 K(o=-0.47,f=-4.6!) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00458) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0579) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0.577 (180deg=0.349) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.938) USER MOD Single : A 82 HIS : no HE2:sc= 0.264 K(o=0.26,f=-0.91) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-1.1) USER MOD Single : A 85 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.44) USER MOD Single : A 86 HIS : no HE2:sc= -0.77 K(o=-0.77,f=-1.8) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 PNS O33 : rot -48:sc= 0.0278 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.303 2.701 6.781 1.00 0.00 N ATOM 2 CA MET A 1 -11.849 2.958 6.897 1.00 0.00 C ATOM 3 C MET A 1 -11.510 4.338 6.279 1.00 0.00 C ATOM 4 O MET A 1 -12.106 4.713 5.263 1.00 0.00 O ATOM 5 CB MET A 1 -11.035 1.813 6.218 1.00 0.00 C ATOM 6 CG MET A 1 -11.235 0.417 6.837 1.00 0.00 C ATOM 7 SD MET A 1 -12.924 -0.196 6.627 1.00 0.00 S ATOM 8 CE MET A 1 -12.858 -1.794 7.431 1.00 0.00 C ATOM 0 H1 MET A 1 -13.469 1.677 6.702 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.789 3.067 7.625 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.673 3.178 5.935 1.00 0.00 H new ATOM 0 HA MET A 1 -11.570 2.977 7.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.308 1.769 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.976 2.065 6.262 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.538 -0.284 6.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.995 0.456 7.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.835 -2.273 7.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.116 -2.420 6.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.582 -1.664 8.477 1.00 0.00 H new ATOM 20 N PRO A 2 -10.536 5.113 6.863 1.00 0.00 N ATOM 21 CA PRO A 2 -10.205 6.484 6.425 1.00 0.00 C ATOM 22 C PRO A 2 -8.994 6.488 5.470 1.00 0.00 C ATOM 23 O PRO A 2 -8.080 7.291 5.597 1.00 0.00 O ATOM 24 CB PRO A 2 -9.898 7.146 7.789 1.00 0.00 C ATOM 25 CG PRO A 2 -9.203 6.065 8.583 1.00 0.00 C ATOM 26 CD PRO A 2 -9.643 4.724 7.988 1.00 0.00 C ATOM 0 HA PRO A 2 -10.981 6.993 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.262 8.023 7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.811 7.478 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.120 6.177 8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.472 6.127 9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.790 4.142 7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.167 4.113 8.723 1.00 0.00 H new ATOM 34 N THR A 3 -9.036 5.600 4.484 1.00 0.00 N ATOM 35 CA THR A 3 -7.892 5.323 3.602 1.00 0.00 C ATOM 36 C THR A 3 -7.520 6.522 2.701 1.00 0.00 C ATOM 37 O THR A 3 -6.377 6.643 2.278 1.00 0.00 O ATOM 38 CB THR A 3 -8.188 4.067 2.747 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.365 4.277 1.952 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.388 2.826 3.626 1.00 0.00 C ATOM 0 H THR A 3 -9.864 5.046 4.267 1.00 0.00 H new ATOM 0 HA THR A 3 -7.026 5.141 4.239 1.00 0.00 H new ATOM 0 HB THR A 3 -7.328 3.899 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.543 3.478 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.594 1.962 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.485 2.643 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.228 2.990 4.301 1.00 0.00 H new ATOM 48 N LEU A 4 -8.506 7.367 2.378 1.00 0.00 N ATOM 49 CA LEU A 4 -8.275 8.677 1.745 1.00 0.00 C ATOM 50 C LEU A 4 -8.166 9.775 2.835 1.00 0.00 C ATOM 51 O LEU A 4 -7.177 10.511 2.895 1.00 0.00 O ATOM 52 CB LEU A 4 -9.420 9.004 0.742 1.00 0.00 C ATOM 53 CG LEU A 4 -9.609 8.013 -0.455 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.806 8.431 -1.348 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.307 7.872 -1.284 1.00 0.00 C ATOM 0 H LEU A 4 -9.491 7.164 2.548 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.338 8.644 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.357 9.049 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.242 9.999 0.335 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.837 7.033 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.911 7.723 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.720 8.435 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.630 9.429 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.473 7.177 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.023 8.846 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.508 7.494 -0.646 1.00 0.00 H new ATOM 67 N ASP A 5 -9.185 9.813 3.728 1.00 0.00 N ATOM 68 CA ASP A 5 -9.405 10.906 4.721 1.00 0.00 C ATOM 69 C ASP A 5 -8.219 11.117 5.682 1.00 0.00 C ATOM 70 O ASP A 5 -7.762 12.247 5.871 1.00 0.00 O ATOM 71 CB ASP A 5 -10.691 10.605 5.538 1.00 0.00 C ATOM 72 CG ASP A 5 -10.933 11.603 6.689 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.360 12.742 6.414 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.679 11.259 7.871 1.00 0.00 O ATOM 0 H ASP A 5 -9.890 9.078 3.784 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.509 11.831 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.550 10.620 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.624 9.597 5.949 1.00 0.00 H new ATOM 79 N ALA A 6 -7.771 10.018 6.301 1.00 0.00 N ATOM 80 CA ALA A 6 -6.653 10.024 7.270 1.00 0.00 C ATOM 81 C ALA A 6 -5.369 10.549 6.615 1.00 0.00 C ATOM 82 O ALA A 6 -4.587 11.278 7.237 1.00 0.00 O ATOM 83 CB ALA A 6 -6.413 8.618 7.841 1.00 0.00 C ATOM 0 H ALA A 6 -8.171 9.092 6.148 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.927 10.689 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.586 8.650 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.314 8.273 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.169 7.933 7.029 1.00 0.00 H new ATOM 89 N LEU A 7 -5.176 10.179 5.337 1.00 0.00 N ATOM 90 CA LEU A 7 -3.986 10.561 4.567 1.00 0.00 C ATOM 91 C LEU A 7 -4.063 12.035 4.122 1.00 0.00 C ATOM 92 O LEU A 7 -3.029 12.649 3.917 1.00 0.00 O ATOM 93 CB LEU A 7 -3.792 9.639 3.331 1.00 0.00 C ATOM 94 CG LEU A 7 -3.694 8.103 3.600 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.319 7.347 2.306 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.714 7.778 4.755 1.00 0.00 C ATOM 0 H LEU A 7 -5.840 9.609 4.813 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.124 10.441 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.623 9.811 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.884 9.951 2.815 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.678 7.759 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.256 6.279 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.081 7.524 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.355 7.704 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.677 6.699 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.719 8.143 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.056 8.262 5.670 1.00 0.00 H new ATOM 108 N THR A 8 -5.283 12.605 4.010 1.00 0.00 N ATOM 109 CA THR A 8 -5.476 13.975 3.463 1.00 0.00 C ATOM 110 C THR A 8 -4.654 15.072 4.221 1.00 0.00 C ATOM 111 O THR A 8 -3.969 15.846 3.551 1.00 0.00 O ATOM 112 CB THR A 8 -6.988 14.358 3.382 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.691 13.362 2.620 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.212 15.746 2.745 1.00 0.00 C ATOM 0 H THR A 8 -6.149 12.143 4.289 1.00 0.00 H new ATOM 0 HA THR A 8 -5.078 13.944 2.449 1.00 0.00 H new ATOM 0 HB THR A 8 -7.370 14.402 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.470 12.471 2.964 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.280 15.963 2.713 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.705 16.506 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.810 15.751 1.732 1.00 0.00 H new ATOM 122 N PRO A 9 -4.672 15.157 5.616 1.00 0.00 N ATOM 123 CA PRO A 9 -3.802 16.108 6.379 1.00 0.00 C ATOM 124 C PRO A 9 -2.287 15.875 6.154 1.00 0.00 C ATOM 125 O PRO A 9 -1.486 16.803 6.303 1.00 0.00 O ATOM 126 CB PRO A 9 -4.194 15.867 7.867 1.00 0.00 C ATOM 127 CG PRO A 9 -5.555 15.244 7.798 1.00 0.00 C ATOM 128 CD PRO A 9 -5.534 14.388 6.558 1.00 0.00 C ATOM 0 HA PRO A 9 -3.961 17.135 6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.481 15.210 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.212 16.801 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.760 14.646 8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.334 16.004 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.123 13.399 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.536 14.241 6.155 1.00 0.00 H new ATOM 136 N ILE A 10 -1.917 14.633 5.769 1.00 0.00 N ATOM 137 CA ILE A 10 -0.512 14.247 5.489 1.00 0.00 C ATOM 138 C ILE A 10 -0.054 14.890 4.170 1.00 0.00 C ATOM 139 O ILE A 10 1.037 15.453 4.093 1.00 0.00 O ATOM 140 CB ILE A 10 -0.334 12.678 5.404 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.885 11.984 6.690 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.141 12.271 5.138 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.197 12.391 7.977 1.00 0.00 C ATOM 0 H ILE A 10 -2.582 13.870 5.643 1.00 0.00 H new ATOM 0 HA ILE A 10 0.101 14.606 6.316 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.919 12.333 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.949 12.205 6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.793 10.904 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.215 11.185 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.473 12.702 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.772 12.641 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.647 11.858 8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.863 12.144 7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.311 13.465 8.127 1.00 0.00 H new ATOM 155 N PHE A 11 -0.930 14.835 3.148 1.00 0.00 N ATOM 156 CA PHE A 11 -0.676 15.464 1.832 1.00 0.00 C ATOM 157 C PHE A 11 -0.706 16.999 1.970 1.00 0.00 C ATOM 158 O PHE A 11 0.124 17.698 1.393 1.00 0.00 O ATOM 159 CB PHE A 11 -1.716 14.990 0.773 1.00 0.00 C ATOM 160 CG PHE A 11 -1.554 13.540 0.300 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.799 12.475 1.159 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.158 13.241 -1.001 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.658 11.167 0.745 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.017 11.928 -1.411 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.271 10.893 -0.540 1.00 0.00 C ATOM 0 H PHE A 11 -1.829 14.357 3.208 1.00 0.00 H new ATOM 0 HA PHE A 11 0.312 15.157 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.716 15.109 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.652 15.647 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.107 12.676 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.959 14.043 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.853 10.359 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.705 11.713 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.166 9.870 -0.868 1.00 0.00 H new ATOM 175 N ARG A 12 -1.675 17.513 2.743 1.00 0.00 N ATOM 176 CA ARG A 12 -1.782 18.956 3.053 1.00 0.00 C ATOM 177 C ARG A 12 -0.564 19.461 3.852 1.00 0.00 C ATOM 178 O ARG A 12 -0.258 20.646 3.812 1.00 0.00 O ATOM 179 CB ARG A 12 -3.083 19.247 3.842 1.00 0.00 C ATOM 180 CG ARG A 12 -4.383 18.988 3.053 1.00 0.00 C ATOM 181 CD ARG A 12 -5.641 19.322 3.862 1.00 0.00 C ATOM 182 NE ARG A 12 -6.857 19.181 3.058 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.113 19.264 3.525 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.351 19.536 4.801 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.122 19.075 2.693 1.00 0.00 N ATOM 0 H ARG A 12 -2.407 16.946 3.172 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.808 19.490 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.091 18.633 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.071 20.288 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.374 19.583 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.417 17.941 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.700 18.665 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.571 20.342 4.239 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.740 19.005 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.574 19.686 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.311 19.595 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.941 18.869 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.082 19.135 3.033 1.00 0.00 H new ATOM 199 N GLN A 13 0.094 18.559 4.595 1.00 0.00 N ATOM 200 CA GLN A 13 1.321 18.877 5.344 1.00 0.00 C ATOM 201 C GLN A 13 2.518 18.988 4.383 1.00 0.00 C ATOM 202 O GLN A 13 3.194 20.019 4.330 1.00 0.00 O ATOM 203 CB GLN A 13 1.578 17.793 6.432 1.00 0.00 C ATOM 204 CG GLN A 13 2.769 18.066 7.382 1.00 0.00 C ATOM 205 CD GLN A 13 2.547 19.228 8.372 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.836 20.195 8.097 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.142 19.128 9.552 1.00 0.00 N ATOM 0 H GLN A 13 -0.208 17.590 4.694 1.00 0.00 H new ATOM 0 HA GLN A 13 1.196 19.839 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.675 17.686 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.745 16.838 5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.981 17.159 7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.653 18.281 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.727 18.319 9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.015 19.860 10.251 1.00 0.00 H new ATOM 216 N VAL A 14 2.732 17.913 3.610 1.00 0.00 N ATOM 217 CA VAL A 14 3.875 17.769 2.693 1.00 0.00 C ATOM 218 C VAL A 14 3.858 18.844 1.586 1.00 0.00 C ATOM 219 O VAL A 14 4.828 19.586 1.408 1.00 0.00 O ATOM 220 CB VAL A 14 3.878 16.321 2.063 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.948 16.158 0.956 1.00 0.00 C ATOM 222 CG2 VAL A 14 4.065 15.254 3.169 1.00 0.00 C ATOM 0 H VAL A 14 2.107 17.107 3.603 1.00 0.00 H new ATOM 0 HA VAL A 14 4.790 17.912 3.268 1.00 0.00 H new ATOM 0 HB VAL A 14 2.909 16.174 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.907 15.145 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.755 16.872 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.937 16.343 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.065 14.261 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.013 15.422 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.248 15.327 3.887 1.00 0.00 H new ATOM 232 N PHE A 15 2.734 18.932 0.876 1.00 0.00 N ATOM 233 CA PHE A 15 2.584 19.799 -0.312 1.00 0.00 C ATOM 234 C PHE A 15 2.103 21.214 0.068 1.00 0.00 C ATOM 235 O PHE A 15 2.157 22.124 -0.770 1.00 0.00 O ATOM 236 CB PHE A 15 1.617 19.135 -1.328 1.00 0.00 C ATOM 237 CG PHE A 15 2.056 17.721 -1.713 1.00 0.00 C ATOM 238 CD1 PHE A 15 3.147 17.526 -2.556 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.419 16.598 -1.192 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.570 16.254 -2.868 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.854 15.327 -1.504 1.00 0.00 C ATOM 242 CZ PHE A 15 2.930 15.155 -2.341 1.00 0.00 C ATOM 0 H PHE A 15 1.891 18.404 1.103 1.00 0.00 H new ATOM 0 HA PHE A 15 3.563 19.913 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.615 19.098 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.558 19.751 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.665 18.379 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.572 16.724 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.411 16.117 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.349 14.467 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.273 14.160 -2.585 1.00 0.00 H new ATOM 252 N ASP A 16 1.633 21.374 1.336 1.00 0.00 N ATOM 253 CA ASP A 16 1.141 22.652 1.904 1.00 0.00 C ATOM 254 C ASP A 16 0.030 23.251 1.021 1.00 0.00 C ATOM 255 O ASP A 16 0.204 24.292 0.365 1.00 0.00 O ATOM 256 CB ASP A 16 2.306 23.651 2.167 1.00 0.00 C ATOM 257 CG ASP A 16 1.896 24.874 3.019 1.00 0.00 C ATOM 258 OD1 ASP A 16 1.779 24.738 4.255 1.00 0.00 O ATOM 259 OD2 ASP A 16 1.688 25.976 2.468 1.00 0.00 O ATOM 0 H ASP A 16 1.586 20.602 2.001 1.00 0.00 H new ATOM 0 HA ASP A 16 0.697 22.444 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.117 23.125 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.696 24.000 1.211 1.00 0.00 H new ATOM 264 N ASP A 17 -1.099 22.535 0.980 1.00 0.00 N ATOM 265 CA ASP A 17 -2.243 22.877 0.131 1.00 0.00 C ATOM 266 C ASP A 17 -3.514 22.299 0.761 1.00 0.00 C ATOM 267 O ASP A 17 -3.766 21.099 0.674 1.00 0.00 O ATOM 268 CB ASP A 17 -2.028 22.347 -1.316 1.00 0.00 C ATOM 269 CG ASP A 17 -3.174 22.721 -2.275 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.282 23.913 -2.646 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.976 21.842 -2.658 1.00 0.00 O ATOM 0 H ASP A 17 -1.245 21.695 1.540 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.345 23.960 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.091 22.745 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.926 21.262 -1.287 1.00 0.00 H new ATOM 276 N ASP A 18 -4.287 23.167 1.434 1.00 0.00 N ATOM 277 CA ASP A 18 -5.502 22.772 2.174 1.00 0.00 C ATOM 278 C ASP A 18 -6.670 22.420 1.218 1.00 0.00 C ATOM 279 O ASP A 18 -7.669 21.835 1.642 1.00 0.00 O ATOM 280 CB ASP A 18 -5.886 23.896 3.183 1.00 0.00 C ATOM 281 CG ASP A 18 -7.064 23.529 4.111 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.908 22.612 4.947 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.155 24.139 3.999 1.00 0.00 O ATOM 0 H ASP A 18 -4.088 24.166 1.482 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.291 21.862 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.016 24.135 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.142 24.798 2.627 1.00 0.00 H new ATOM 288 N SER A 19 -6.514 22.716 -0.086 1.00 0.00 N ATOM 289 CA SER A 19 -7.534 22.391 -1.099 1.00 0.00 C ATOM 290 C SER A 19 -7.337 20.955 -1.641 1.00 0.00 C ATOM 291 O SER A 19 -8.087 20.520 -2.519 1.00 0.00 O ATOM 292 CB SER A 19 -7.538 23.442 -2.235 1.00 0.00 C ATOM 293 OG SER A 19 -6.262 23.607 -2.816 1.00 0.00 O ATOM 0 H SER A 19 -5.688 23.181 -0.463 1.00 0.00 H new ATOM 0 HA SER A 19 -8.514 22.425 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.249 23.140 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.882 24.398 -1.841 1.00 0.00 H new ATOM 0 HG SER A 19 -5.727 22.800 -2.665 1.00 0.00 H new ATOM 299 N ILE A 20 -6.319 20.227 -1.113 1.00 0.00 N ATOM 300 CA ILE A 20 -6.172 18.778 -1.342 1.00 0.00 C ATOM 301 C ILE A 20 -7.356 18.050 -0.678 1.00 0.00 C ATOM 302 O ILE A 20 -7.460 18.008 0.541 1.00 0.00 O ATOM 303 CB ILE A 20 -4.797 18.201 -0.785 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.587 18.782 -1.584 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.773 16.647 -0.805 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.211 18.336 -1.119 1.00 0.00 C ATOM 0 H ILE A 20 -5.589 20.628 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.167 18.608 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.709 18.517 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.702 18.506 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.632 19.870 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.818 16.293 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.582 16.263 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.902 16.294 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.448 18.800 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.062 18.636 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.134 17.252 -1.197 1.00 0.00 H new ATOM 318 N VAL A 21 -8.275 17.557 -1.504 1.00 0.00 N ATOM 319 CA VAL A 21 -9.368 16.679 -1.080 1.00 0.00 C ATOM 320 C VAL A 21 -9.200 15.383 -1.876 1.00 0.00 C ATOM 321 O VAL A 21 -9.493 15.347 -3.082 1.00 0.00 O ATOM 322 CB VAL A 21 -10.777 17.341 -1.323 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.935 16.375 -0.974 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.898 18.670 -0.530 1.00 0.00 C ATOM 0 H VAL A 21 -8.283 17.758 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.325 16.487 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.858 17.566 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.889 16.870 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.865 15.483 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.868 16.091 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.877 19.113 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.780 18.470 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.121 19.361 -0.858 1.00 0.00 H new ATOM 334 N LEU A 22 -8.663 14.347 -1.208 1.00 0.00 N ATOM 335 CA LEU A 22 -8.191 13.123 -1.868 1.00 0.00 C ATOM 336 C LEU A 22 -9.334 12.336 -2.507 1.00 0.00 C ATOM 337 O LEU A 22 -10.428 12.211 -1.954 1.00 0.00 O ATOM 338 CB LEU A 22 -7.402 12.222 -0.880 1.00 0.00 C ATOM 339 CG LEU A 22 -6.006 12.764 -0.428 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.328 11.798 0.555 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.093 13.053 -1.645 1.00 0.00 C ATOM 0 H LEU A 22 -8.545 14.337 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.519 13.437 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.015 12.066 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.259 11.246 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.172 13.707 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.360 12.201 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.956 11.676 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.186 10.830 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.131 13.428 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.941 12.135 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.564 13.800 -2.284 1.00 0.00 H new ATOM 353 N THR A 23 -9.040 11.827 -3.694 1.00 0.00 N ATOM 354 CA THR A 23 -9.883 10.892 -4.425 1.00 0.00 C ATOM 355 C THR A 23 -9.003 9.684 -4.739 1.00 0.00 C ATOM 356 O THR A 23 -7.768 9.745 -4.574 1.00 0.00 O ATOM 357 CB THR A 23 -10.431 11.512 -5.757 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.339 11.828 -6.635 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.266 12.783 -5.514 1.00 0.00 C ATOM 0 H THR A 23 -8.181 12.061 -4.191 1.00 0.00 H new ATOM 0 HA THR A 23 -10.754 10.625 -3.827 1.00 0.00 H new ATOM 0 HB THR A 23 -11.083 10.766 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.572 12.132 -6.106 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.622 13.173 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.119 12.542 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.649 13.535 -5.022 1.00 0.00 H new ATOM 367 N ARG A 24 -9.605 8.592 -5.204 1.00 0.00 N ATOM 368 CA ARG A 24 -8.835 7.415 -5.606 1.00 0.00 C ATOM 369 C ARG A 24 -7.997 7.677 -6.879 1.00 0.00 C ATOM 370 O ARG A 24 -7.014 6.988 -7.100 1.00 0.00 O ATOM 371 CB ARG A 24 -9.739 6.169 -5.774 1.00 0.00 C ATOM 372 CG ARG A 24 -10.256 5.569 -4.445 1.00 0.00 C ATOM 373 CD ARG A 24 -10.873 4.172 -4.640 1.00 0.00 C ATOM 374 NE ARG A 24 -9.904 3.235 -5.249 1.00 0.00 N ATOM 375 CZ ARG A 24 -9.162 2.325 -4.589 1.00 0.00 C ATOM 376 NH1 ARG A 24 -9.298 2.137 -3.273 1.00 0.00 N ATOM 377 NH2 ARG A 24 -8.295 1.590 -5.257 1.00 0.00 N ATOM 0 H ARG A 24 -10.615 8.496 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.135 7.206 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.594 6.437 -6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.183 5.402 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.433 5.505 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.001 6.237 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.204 3.781 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.756 4.248 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.787 3.282 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.975 2.689 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.725 1.442 -2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.191 1.713 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.728 0.898 -4.767 1.00 0.00 H new ATOM 391 N GLU A 25 -8.368 8.683 -7.690 1.00 0.00 N ATOM 392 CA GLU A 25 -7.668 8.991 -8.963 1.00 0.00 C ATOM 393 C GLU A 25 -6.588 10.082 -8.795 1.00 0.00 C ATOM 394 O GLU A 25 -5.872 10.386 -9.758 1.00 0.00 O ATOM 395 CB GLU A 25 -8.715 9.414 -10.019 1.00 0.00 C ATOM 396 CG GLU A 25 -9.485 10.699 -9.662 1.00 0.00 C ATOM 397 CD GLU A 25 -10.598 11.014 -10.661 1.00 0.00 C ATOM 398 OE1 GLU A 25 -10.326 11.671 -11.688 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.751 10.590 -10.431 1.00 0.00 O ATOM 0 H GLU A 25 -9.153 9.304 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.146 8.093 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.213 9.558 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.429 8.601 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.915 10.596 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.789 11.537 -9.624 1.00 0.00 H new ATOM 406 N THR A 26 -6.486 10.678 -7.581 1.00 0.00 N ATOM 407 CA THR A 26 -5.473 11.714 -7.279 1.00 0.00 C ATOM 408 C THR A 26 -4.047 11.153 -7.480 1.00 0.00 C ATOM 409 O THR A 26 -3.628 10.271 -6.741 1.00 0.00 O ATOM 410 CB THR A 26 -5.623 12.246 -5.808 1.00 0.00 C ATOM 411 OG1 THR A 26 -6.919 12.825 -5.610 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.555 13.290 -5.432 1.00 0.00 C ATOM 0 H THR A 26 -7.096 10.456 -6.794 1.00 0.00 H new ATOM 0 HA THR A 26 -5.636 12.543 -7.968 1.00 0.00 H new ATOM 0 HB THR A 26 -5.488 11.379 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.896 13.419 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.713 13.618 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.564 12.846 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.631 14.146 -6.102 1.00 0.00 H new ATOM 420 N SER A 27 -3.336 11.635 -8.501 1.00 0.00 N ATOM 421 CA SER A 27 -1.965 11.193 -8.808 1.00 0.00 C ATOM 422 C SER A 27 -1.022 12.404 -8.899 1.00 0.00 C ATOM 423 O SER A 27 -1.461 13.564 -8.867 1.00 0.00 O ATOM 424 CB SER A 27 -1.948 10.418 -10.148 1.00 0.00 C ATOM 425 OG SER A 27 -3.018 9.505 -10.255 1.00 0.00 O ATOM 0 H SER A 27 -3.691 12.344 -9.142 1.00 0.00 H new ATOM 0 HA SER A 27 -1.622 10.537 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.995 11.127 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.004 9.880 -10.242 1.00 0.00 H new ATOM 0 HG SER A 27 -3.846 9.993 -10.446 1.00 0.00 H new ATOM 431 N ALA A 28 0.276 12.112 -9.048 1.00 0.00 N ATOM 432 CA ALA A 28 1.298 13.093 -9.369 1.00 0.00 C ATOM 433 C ALA A 28 1.297 13.159 -10.888 1.00 0.00 C ATOM 434 O ALA A 28 1.990 12.388 -11.566 1.00 0.00 O ATOM 435 CB ALA A 28 2.643 12.649 -8.791 1.00 0.00 C ATOM 0 H ALA A 28 0.644 11.166 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 28 1.111 14.078 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.406 13.389 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.561 12.556 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.922 11.686 -9.218 1.00 0.00 H new ATOM 441 N ASN A 29 0.502 14.089 -11.404 1.00 0.00 N ATOM 442 CA ASN A 29 -0.224 13.965 -12.677 1.00 0.00 C ATOM 443 C ASN A 29 -1.374 14.981 -12.585 1.00 0.00 C ATOM 444 O ASN A 29 -1.406 15.978 -13.306 1.00 0.00 O ATOM 445 CB ASN A 29 -0.792 12.535 -12.944 1.00 0.00 C ATOM 446 CG ASN A 29 -1.624 12.427 -14.234 1.00 0.00 C ATOM 447 OD1 ASN A 29 -1.083 12.202 -15.319 1.00 0.00 O ATOM 448 ND2 ASN A 29 -2.942 12.567 -14.125 1.00 0.00 N ATOM 0 H ASN A 29 0.335 14.981 -10.939 1.00 0.00 H new ATOM 0 HA ASN A 29 0.457 14.153 -13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.037 11.829 -12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.411 12.236 -12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.533 12.489 -14.952 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.362 12.753 -13.214 1.00 0.00 H new ATOM 455 N ASP A 30 -2.274 14.724 -11.611 1.00 0.00 N ATOM 456 CA ASP A 30 -3.440 15.582 -11.290 1.00 0.00 C ATOM 457 C ASP A 30 -3.023 16.824 -10.485 1.00 0.00 C ATOM 458 O ASP A 30 -3.808 17.772 -10.348 1.00 0.00 O ATOM 459 CB ASP A 30 -4.490 14.768 -10.480 1.00 0.00 C ATOM 460 CG ASP A 30 -4.961 13.504 -11.217 1.00 0.00 C ATOM 461 OD1 ASP A 30 -4.190 12.527 -11.260 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.080 13.484 -11.764 1.00 0.00 O ATOM 0 H ASP A 30 -2.211 13.900 -11.014 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.875 15.917 -12.232 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.060 14.484 -9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.351 15.402 -10.269 1.00 0.00 H new ATOM 467 N ILE A 31 -1.784 16.806 -9.947 1.00 0.00 N ATOM 468 CA ILE A 31 -1.218 17.910 -9.146 1.00 0.00 C ATOM 469 C ILE A 31 0.166 18.258 -9.727 1.00 0.00 C ATOM 470 O ILE A 31 1.043 17.394 -9.816 1.00 0.00 O ATOM 471 CB ILE A 31 -1.106 17.547 -7.611 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.520 17.216 -7.016 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.417 18.684 -6.805 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.542 16.819 -5.543 1.00 0.00 C ATOM 0 H ILE A 31 -1.145 16.019 -10.058 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.887 18.768 -9.205 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.480 16.659 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.162 18.087 -7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.958 16.405 -7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.357 18.400 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.588 18.849 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.998 19.601 -6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.568 16.613 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.933 15.927 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.141 17.634 -4.941 1.00 0.00 H new ATOM 486 N ASP A 32 0.323 19.527 -10.138 1.00 0.00 N ATOM 487 CA ASP A 32 1.544 20.045 -10.797 1.00 0.00 C ATOM 488 C ASP A 32 2.692 20.233 -9.780 1.00 0.00 C ATOM 489 O ASP A 32 3.867 20.009 -10.102 1.00 0.00 O ATOM 490 CB ASP A 32 1.213 21.386 -11.509 1.00 0.00 C ATOM 491 CG ASP A 32 2.412 22.011 -12.250 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.706 21.592 -13.386 1.00 0.00 O ATOM 493 OD2 ASP A 32 3.055 22.936 -11.696 1.00 0.00 O ATOM 0 H ASP A 32 -0.402 20.235 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 32 1.881 19.318 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.405 21.218 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.844 22.097 -10.770 1.00 0.00 H new ATOM 498 N ALA A 33 2.330 20.633 -8.554 1.00 0.00 N ATOM 499 CA ALA A 33 3.286 20.900 -7.454 1.00 0.00 C ATOM 500 C ALA A 33 3.854 19.603 -6.825 1.00 0.00 C ATOM 501 O ALA A 33 4.738 19.657 -5.960 1.00 0.00 O ATOM 502 CB ALA A 33 2.590 21.753 -6.381 1.00 0.00 C ATOM 0 H ALA A 33 1.357 20.784 -8.288 1.00 0.00 H new ATOM 0 HA ALA A 33 4.136 21.438 -7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.287 21.954 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.264 22.696 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.725 21.215 -5.993 1.00 0.00 H new ATOM 508 N TRP A 34 3.340 18.447 -7.272 1.00 0.00 N ATOM 509 CA TRP A 34 3.707 17.125 -6.743 1.00 0.00 C ATOM 510 C TRP A 34 4.962 16.589 -7.494 1.00 0.00 C ATOM 511 O TRP A 34 4.876 15.685 -8.333 1.00 0.00 O ATOM 512 CB TRP A 34 2.473 16.188 -6.879 1.00 0.00 C ATOM 513 CG TRP A 34 2.511 14.894 -6.102 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.599 14.203 -5.643 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.375 14.103 -5.740 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.197 13.059 -5.010 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.843 12.971 -5.064 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.006 14.257 -5.922 1.00 0.00 C ATOM 519 CZ2 TRP A 34 0.991 11.986 -4.584 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.842 13.288 -5.450 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.348 12.166 -4.782 1.00 0.00 C ATOM 0 H TRP A 34 2.649 18.404 -8.021 1.00 0.00 H new ATOM 0 HA TRP A 34 3.976 17.179 -5.688 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.588 16.744 -6.569 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.344 15.947 -7.934 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.626 14.515 -5.763 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.816 12.380 -4.568 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.385 15.127 -6.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.372 11.113 -4.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.907 13.394 -5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.041 11.424 -4.414 1.00 0.00 H new ATOM 532 N ASP A 35 6.114 17.213 -7.196 1.00 0.00 N ATOM 533 CA ASP A 35 7.448 16.834 -7.743 1.00 0.00 C ATOM 534 C ASP A 35 7.916 15.449 -7.214 1.00 0.00 C ATOM 535 O ASP A 35 7.308 14.910 -6.288 1.00 0.00 O ATOM 536 CB ASP A 35 8.461 17.967 -7.373 1.00 0.00 C ATOM 537 CG ASP A 35 9.886 17.714 -7.880 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.144 17.957 -9.072 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.741 17.231 -7.107 1.00 0.00 O ATOM 0 H ASP A 35 6.156 18.009 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 35 7.386 16.733 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.102 18.911 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.486 18.080 -6.289 1.00 0.00 H new ATOM 544 N SER A 36 8.980 14.875 -7.840 1.00 0.00 N ATOM 545 CA SER A 36 9.665 13.640 -7.391 1.00 0.00 C ATOM 546 C SER A 36 9.970 13.663 -5.879 1.00 0.00 C ATOM 547 O SER A 36 9.535 12.791 -5.128 1.00 0.00 O ATOM 548 CB SER A 36 11.025 13.462 -8.147 1.00 0.00 C ATOM 549 OG SER A 36 10.984 13.207 -9.595 1.00 0.00 O ATOM 0 H SER A 36 9.390 15.269 -8.687 1.00 0.00 H new ATOM 0 HA SER A 36 8.987 12.815 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.618 14.362 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.562 12.637 -7.678 1.00 0.00 H new ATOM 554 N LEU A 37 10.720 14.687 -5.459 1.00 0.00 N ATOM 555 CA LEU A 37 11.200 14.824 -4.073 1.00 0.00 C ATOM 556 C LEU A 37 10.040 15.100 -3.106 1.00 0.00 C ATOM 557 O LEU A 37 10.052 14.620 -1.972 1.00 0.00 O ATOM 558 CB LEU A 37 12.288 15.930 -3.969 1.00 0.00 C ATOM 559 CG LEU A 37 13.707 15.590 -4.535 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.300 14.336 -3.850 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.713 15.470 -6.078 1.00 0.00 C ATOM 0 H LEU A 37 11.014 15.449 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 37 11.653 13.876 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.921 16.816 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.398 16.198 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 37 14.358 16.430 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.286 14.126 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.388 14.514 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.644 13.483 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.720 15.233 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.030 14.678 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.393 16.415 -6.518 1.00 0.00 H new ATOM 573 N SER A 38 9.036 15.839 -3.591 1.00 0.00 N ATOM 574 CA SER A 38 7.802 16.131 -2.844 1.00 0.00 C ATOM 575 C SER A 38 7.015 14.820 -2.579 1.00 0.00 C ATOM 576 O SER A 38 6.462 14.608 -1.497 1.00 0.00 O ATOM 577 CB SER A 38 6.940 17.120 -3.663 1.00 0.00 C ATOM 578 OG SER A 38 7.660 18.300 -3.988 1.00 0.00 O ATOM 0 H SER A 38 9.055 16.256 -4.522 1.00 0.00 H new ATOM 0 HA SER A 38 8.053 16.579 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.602 16.636 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.048 17.383 -3.094 1.00 0.00 H new ATOM 0 HG SER A 38 7.086 18.901 -4.507 1.00 0.00 H new ATOM 584 N HIS A 39 6.999 13.955 -3.605 1.00 0.00 N ATOM 585 CA HIS A 39 6.400 12.610 -3.557 1.00 0.00 C ATOM 586 C HIS A 39 7.132 11.717 -2.534 1.00 0.00 C ATOM 587 O HIS A 39 6.499 10.991 -1.761 1.00 0.00 O ATOM 588 CB HIS A 39 6.437 11.972 -4.973 1.00 0.00 C ATOM 589 CG HIS A 39 5.769 10.630 -5.057 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.418 10.504 -4.903 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.304 9.401 -5.264 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.162 9.225 -5.007 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.270 8.512 -5.220 1.00 0.00 N ATOM 0 H HIS A 39 7.411 14.175 -4.512 1.00 0.00 H new ATOM 0 HA HIS A 39 5.362 12.698 -3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.956 12.650 -5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.476 11.869 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.346 9.171 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.173 8.798 -4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.332 7.500 -5.329 1.00 0.00 H new ATOM 601 N MET A 40 8.471 11.802 -2.532 1.00 0.00 N ATOM 602 CA MET A 40 9.326 11.034 -1.608 1.00 0.00 C ATOM 603 C MET A 40 9.115 11.492 -0.156 1.00 0.00 C ATOM 604 O MET A 40 9.144 10.667 0.770 1.00 0.00 O ATOM 605 CB MET A 40 10.815 11.162 -2.010 1.00 0.00 C ATOM 606 CG MET A 40 11.153 10.521 -3.359 1.00 0.00 C ATOM 607 SD MET A 40 10.653 8.778 -3.455 1.00 0.00 S ATOM 608 CE MET A 40 11.651 7.999 -2.183 1.00 0.00 C ATOM 0 H MET A 40 8.993 12.404 -3.169 1.00 0.00 H new ATOM 0 HA MET A 40 9.041 9.984 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.082 12.218 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.430 10.702 -1.237 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.661 11.080 -4.155 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.226 10.596 -3.533 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.524 6.918 -2.232 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.700 8.249 -2.340 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.336 8.357 -1.203 1.00 0.00 H new ATOM 618 N ASN A 41 8.881 12.814 0.014 1.00 0.00 N ATOM 619 CA ASN A 41 8.557 13.419 1.322 1.00 0.00 C ATOM 620 C ASN A 41 7.225 12.861 1.841 1.00 0.00 C ATOM 621 O ASN A 41 7.079 12.607 3.033 1.00 0.00 O ATOM 622 CB ASN A 41 8.486 14.974 1.243 1.00 0.00 C ATOM 623 CG ASN A 41 9.814 15.641 0.884 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.887 15.149 1.221 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.751 16.770 0.198 1.00 0.00 N ATOM 0 H ASN A 41 8.912 13.488 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 41 9.359 13.160 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.738 15.256 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.145 15.361 2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.609 17.256 -0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.845 17.155 -0.068 1.00 0.00 H new ATOM 632 N LEU A 42 6.270 12.645 0.916 1.00 0.00 N ATOM 633 CA LEU A 42 4.941 12.090 1.237 1.00 0.00 C ATOM 634 C LEU A 42 5.066 10.640 1.747 1.00 0.00 C ATOM 635 O LEU A 42 4.438 10.270 2.747 1.00 0.00 O ATOM 636 CB LEU A 42 4.019 12.203 -0.021 1.00 0.00 C ATOM 637 CG LEU A 42 2.496 11.856 0.140 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.209 10.334 0.123 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.912 12.525 1.404 1.00 0.00 C ATOM 0 H LEU A 42 6.398 12.850 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 42 4.484 12.664 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.090 13.225 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.429 11.552 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 42 1.991 12.264 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.139 10.164 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.543 9.911 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.743 9.854 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.856 12.271 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.448 12.170 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.019 13.607 1.326 1.00 0.00 H new ATOM 651 N ILE A 43 5.878 9.837 1.046 1.00 0.00 N ATOM 652 CA ILE A 43 6.082 8.414 1.370 1.00 0.00 C ATOM 653 C ILE A 43 6.698 8.254 2.775 1.00 0.00 C ATOM 654 O ILE A 43 6.171 7.493 3.596 1.00 0.00 O ATOM 655 CB ILE A 43 6.938 7.691 0.237 1.00 0.00 C ATOM 656 CG1 ILE A 43 6.014 7.100 -0.885 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.881 6.591 0.784 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.120 8.093 -1.606 1.00 0.00 C ATOM 0 H ILE A 43 6.413 10.154 0.238 1.00 0.00 H new ATOM 0 HA ILE A 43 5.112 7.918 1.394 1.00 0.00 H new ATOM 0 HB ILE A 43 7.572 8.467 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.645 6.607 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.383 6.331 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.433 6.141 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.583 7.032 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.292 5.824 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.528 7.571 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.454 8.571 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.735 8.851 -2.091 1.00 0.00 H new ATOM 670 N VAL A 44 7.777 9.009 3.068 1.00 0.00 N ATOM 671 CA VAL A 44 8.463 8.939 4.372 1.00 0.00 C ATOM 672 C VAL A 44 7.596 9.524 5.508 1.00 0.00 C ATOM 673 O VAL A 44 7.811 9.204 6.678 1.00 0.00 O ATOM 674 CB VAL A 44 9.870 9.626 4.341 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.832 8.872 3.392 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.765 11.116 3.970 1.00 0.00 C ATOM 0 H VAL A 44 8.192 9.675 2.416 1.00 0.00 H new ATOM 0 HA VAL A 44 8.620 7.880 4.578 1.00 0.00 H new ATOM 0 HB VAL A 44 10.286 9.575 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.802 9.369 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.952 7.845 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.421 8.871 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.761 11.559 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.313 11.214 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.147 11.631 4.705 1.00 0.00 H new ATOM 686 N SER A 45 6.625 10.383 5.150 1.00 0.00 N ATOM 687 CA SER A 45 5.592 10.860 6.094 1.00 0.00 C ATOM 688 C SER A 45 4.693 9.698 6.559 1.00 0.00 C ATOM 689 O SER A 45 4.414 9.563 7.747 1.00 0.00 O ATOM 690 CB SER A 45 4.746 11.975 5.460 1.00 0.00 C ATOM 691 OG SER A 45 5.532 13.111 5.189 1.00 0.00 O ATOM 0 H SER A 45 6.532 10.764 4.209 1.00 0.00 H new ATOM 0 HA SER A 45 6.099 11.269 6.968 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.293 11.613 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.930 12.244 6.131 1.00 0.00 H new ATOM 0 HG SER A 45 5.978 13.001 4.323 1.00 0.00 H new ATOM 697 N LEU A 46 4.272 8.851 5.617 1.00 0.00 N ATOM 698 CA LEU A 46 3.437 7.666 5.924 1.00 0.00 C ATOM 699 C LEU A 46 4.223 6.656 6.797 1.00 0.00 C ATOM 700 O LEU A 46 3.651 5.985 7.667 1.00 0.00 O ATOM 701 CB LEU A 46 2.948 7.004 4.612 1.00 0.00 C ATOM 702 CG LEU A 46 2.169 7.935 3.629 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.777 7.193 2.332 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.936 8.564 4.313 1.00 0.00 C ATOM 0 H LEU A 46 4.492 8.957 4.627 1.00 0.00 H new ATOM 0 HA LEU A 46 2.564 7.989 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.813 6.597 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.306 6.161 4.870 1.00 0.00 H new ATOM 0 HG LEU A 46 2.840 8.746 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.237 7.873 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.677 6.839 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.140 6.343 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.415 9.207 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.264 7.774 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.258 9.156 5.170 1.00 0.00 H new ATOM 716 N GLU A 47 5.548 6.597 6.557 1.00 0.00 N ATOM 717 CA GLU A 47 6.492 5.770 7.328 1.00 0.00 C ATOM 718 C GLU A 47 6.557 6.227 8.805 1.00 0.00 C ATOM 719 O GLU A 47 6.395 5.412 9.716 1.00 0.00 O ATOM 720 CB GLU A 47 7.912 5.843 6.694 1.00 0.00 C ATOM 721 CG GLU A 47 8.001 5.374 5.228 1.00 0.00 C ATOM 722 CD GLU A 47 7.886 3.860 5.022 1.00 0.00 C ATOM 723 OE1 GLU A 47 8.642 3.102 5.668 1.00 0.00 O ATOM 724 OE2 GLU A 47 7.083 3.424 4.180 1.00 0.00 O ATOM 0 H GLU A 47 5.996 7.130 5.812 1.00 0.00 H new ATOM 0 HA GLU A 47 6.135 4.740 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.266 6.872 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.592 5.238 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.212 5.864 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.951 5.711 4.812 1.00 0.00 H new ATOM 731 N VAL A 48 6.812 7.532 9.032 1.00 0.00 N ATOM 732 CA VAL A 48 7.035 8.074 10.392 1.00 0.00 C ATOM 733 C VAL A 48 5.724 8.196 11.209 1.00 0.00 C ATOM 734 O VAL A 48 5.709 7.884 12.409 1.00 0.00 O ATOM 735 CB VAL A 48 7.795 9.456 10.357 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.220 9.288 9.772 1.00 0.00 C ATOM 737 CG2 VAL A 48 7.012 10.548 9.592 1.00 0.00 C ATOM 0 H VAL A 48 6.869 8.232 8.292 1.00 0.00 H new ATOM 0 HA VAL A 48 7.669 7.349 10.901 1.00 0.00 H new ATOM 0 HB VAL A 48 7.878 9.794 11.390 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.724 10.254 9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.787 8.592 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.153 8.899 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.582 11.477 9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.854 10.228 8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.048 10.710 10.074 1.00 0.00 H new ATOM 747 N HIS A 49 4.640 8.682 10.561 1.00 0.00 N ATOM 748 CA HIS A 49 3.308 8.822 11.193 1.00 0.00 C ATOM 749 C HIS A 49 2.686 7.444 11.520 1.00 0.00 C ATOM 750 O HIS A 49 2.487 7.113 12.691 1.00 0.00 O ATOM 751 CB HIS A 49 2.337 9.655 10.291 1.00 0.00 C ATOM 752 CG HIS A 49 2.624 11.143 10.214 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.502 11.852 9.464 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.934 12.080 10.959 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.324 13.173 9.763 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.377 13.289 10.672 1.00 0.00 N flip ATOM 0 H HIS A 49 4.664 8.987 9.588 1.00 0.00 H new ATOM 0 HA HIS A 49 3.454 9.359 12.130 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.367 9.245 9.281 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.321 9.518 10.660 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.173 11.469 8.798 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.151 11.857 11.668 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.873 13.993 9.324 1.00 0.00 H new ATOM 765 N TYR A 50 2.427 6.638 10.477 1.00 0.00 N ATOM 766 CA TYR A 50 1.593 5.409 10.587 1.00 0.00 C ATOM 767 C TYR A 50 2.418 4.146 10.874 1.00 0.00 C ATOM 768 O TYR A 50 1.837 3.093 11.163 1.00 0.00 O ATOM 769 CB TYR A 50 0.778 5.209 9.288 1.00 0.00 C ATOM 770 CG TYR A 50 -0.213 6.337 8.988 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.519 6.292 9.481 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.161 7.450 8.232 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.407 7.315 9.238 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.730 8.472 7.985 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.011 8.397 8.490 1.00 0.00 C ATOM 776 OH TYR A 50 -2.895 9.417 8.263 1.00 0.00 O ATOM 0 H TYR A 50 2.782 6.810 9.537 1.00 0.00 H new ATOM 0 HA TYR A 50 0.926 5.557 11.437 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.469 5.115 8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.231 4.269 9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.838 5.440 10.063 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.164 7.511 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.411 7.267 9.634 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.427 9.327 7.399 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.801 9.732 7.340 1.00 0.00 H new ATOM 786 N LYS A 51 3.762 4.258 10.768 1.00 0.00 N ATOM 787 CA LYS A 51 4.712 3.134 10.968 1.00 0.00 C ATOM 788 C LYS A 51 4.526 2.034 9.898 1.00 0.00 C ATOM 789 O LYS A 51 4.998 0.907 10.076 1.00 0.00 O ATOM 790 CB LYS A 51 4.639 2.542 12.424 1.00 0.00 C ATOM 791 CG LYS A 51 5.281 3.411 13.541 1.00 0.00 C ATOM 792 CD LYS A 51 4.592 4.778 13.735 1.00 0.00 C ATOM 793 CE LYS A 51 5.187 5.601 14.883 1.00 0.00 C ATOM 794 NZ LYS A 51 4.534 6.928 15.005 1.00 0.00 N ATOM 0 H LYS A 51 4.224 5.138 10.539 1.00 0.00 H new ATOM 0 HA LYS A 51 5.714 3.545 10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.592 2.376 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.126 1.567 12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.248 2.861 14.481 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.332 3.574 13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.668 5.350 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.531 4.618 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.075 5.053 15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.256 5.736 14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.853 7.393 15.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.789 7.517 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.502 6.805 15.035 1.00 0.00 H new ATOM 808 N ILE A 52 3.923 2.396 8.750 1.00 0.00 N ATOM 809 CA ILE A 52 3.561 1.435 7.691 1.00 0.00 C ATOM 810 C ILE A 52 4.658 1.439 6.611 1.00 0.00 C ATOM 811 O ILE A 52 5.125 2.501 6.188 1.00 0.00 O ATOM 812 CB ILE A 52 2.143 1.748 7.063 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.073 3.210 6.517 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.012 1.465 8.093 1.00 0.00 C ATOM 815 CD1 ILE A 52 0.731 3.620 5.938 1.00 0.00 C ATOM 0 H ILE A 52 3.674 3.360 8.531 1.00 0.00 H new ATOM 0 HA ILE A 52 3.489 0.442 8.135 1.00 0.00 H new ATOM 0 HB ILE A 52 1.994 1.082 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.326 3.895 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.835 3.330 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.045 1.687 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.043 0.416 8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.155 2.094 8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.786 4.650 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.479 2.965 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.037 3.539 6.707 1.00 0.00 H new ATOM 827 N LYS A 53 5.070 0.237 6.205 1.00 0.00 N ATOM 828 CA LYS A 53 6.245 -0.003 5.369 1.00 0.00 C ATOM 829 C LYS A 53 5.806 -0.157 3.907 1.00 0.00 C ATOM 830 O LYS A 53 5.138 -1.135 3.566 1.00 0.00 O ATOM 831 CB LYS A 53 6.983 -1.287 5.902 1.00 0.00 C ATOM 832 CG LYS A 53 8.299 -1.704 5.167 1.00 0.00 C ATOM 833 CD LYS A 53 8.075 -2.524 3.860 1.00 0.00 C ATOM 834 CE LYS A 53 9.384 -2.906 3.156 1.00 0.00 C ATOM 835 NZ LYS A 53 10.225 -3.784 4.003 1.00 0.00 N ATOM 0 H LYS A 53 4.580 -0.621 6.457 1.00 0.00 H new ATOM 0 HA LYS A 53 6.938 0.837 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.218 -1.131 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.287 -2.124 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.866 -0.805 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.911 -2.293 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.520 -3.431 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.457 -1.943 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.158 -3.413 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.939 -2.002 2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.042 -4.117 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.559 -3.251 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.665 -4.601 4.320 1.00 0.00 H new ATOM 849 N PHE A 54 6.163 0.815 3.066 1.00 0.00 N ATOM 850 CA PHE A 54 6.060 0.707 1.601 1.00 0.00 C ATOM 851 C PHE A 54 7.412 0.253 1.050 1.00 0.00 C ATOM 852 O PHE A 54 8.455 0.795 1.415 1.00 0.00 O ATOM 853 CB PHE A 54 5.645 2.060 0.961 1.00 0.00 C ATOM 854 CG PHE A 54 4.281 2.551 1.424 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.156 3.334 2.574 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.116 2.203 0.732 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.918 3.753 3.004 1.00 0.00 C ATOM 858 CE2 PHE A 54 1.880 2.632 1.171 1.00 0.00 C ATOM 859 CZ PHE A 54 1.783 3.402 2.305 1.00 0.00 C ATOM 0 H PHE A 54 6.536 1.710 3.381 1.00 0.00 H new ATOM 0 HA PHE A 54 5.288 -0.021 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.395 2.813 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.636 1.954 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.039 3.613 3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.185 1.592 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.835 4.360 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.989 2.363 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.815 3.733 2.650 1.00 0.00 H new ATOM 869 N ALA A 55 7.378 -0.762 0.193 1.00 0.00 N ATOM 870 CA ALA A 55 8.550 -1.263 -0.517 1.00 0.00 C ATOM 871 C ALA A 55 8.660 -0.514 -1.848 1.00 0.00 C ATOM 872 O ALA A 55 7.638 -0.097 -2.397 1.00 0.00 O ATOM 873 CB ALA A 55 8.413 -2.778 -0.735 1.00 0.00 C ATOM 0 H ALA A 55 6.521 -1.268 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 55 9.457 -1.093 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.290 -3.150 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.333 -3.279 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.519 -2.981 -1.324 1.00 0.00 H new ATOM 879 N LEU A 56 9.892 -0.324 -2.352 1.00 0.00 N ATOM 880 CA LEU A 56 10.149 0.339 -3.658 1.00 0.00 C ATOM 881 C LEU A 56 9.458 -0.438 -4.809 1.00 0.00 C ATOM 882 O LEU A 56 9.054 0.163 -5.808 1.00 0.00 O ATOM 883 CB LEU A 56 11.696 0.476 -3.872 1.00 0.00 C ATOM 884 CG LEU A 56 12.222 1.576 -4.875 1.00 0.00 C ATOM 885 CD1 LEU A 56 12.025 1.191 -6.359 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.602 2.955 -4.563 1.00 0.00 C ATOM 0 H LEU A 56 10.741 -0.622 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 56 9.719 1.341 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.150 0.669 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.071 -0.489 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 56 13.299 1.642 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.407 1.989 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.565 0.268 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.964 1.044 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.982 3.693 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.517 2.894 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.868 3.253 -3.549 1.00 0.00 H new ATOM 898 N GLY A 57 9.308 -1.769 -4.637 1.00 0.00 N ATOM 899 CA GLY A 57 8.506 -2.590 -5.544 1.00 0.00 C ATOM 900 C GLY A 57 7.036 -2.154 -5.575 1.00 0.00 C ATOM 901 O GLY A 57 6.443 -2.016 -6.656 1.00 0.00 O ATOM 0 H GLY A 57 9.737 -2.291 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.922 -2.530 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.567 -3.634 -5.236 1.00 0.00 H new ATOM 905 N GLU A 58 6.474 -1.903 -4.371 1.00 0.00 N ATOM 906 CA GLU A 58 5.089 -1.411 -4.200 1.00 0.00 C ATOM 907 C GLU A 58 4.959 0.038 -4.719 1.00 0.00 C ATOM 908 O GLU A 58 3.900 0.413 -5.214 1.00 0.00 O ATOM 909 CB GLU A 58 4.641 -1.494 -2.712 1.00 0.00 C ATOM 910 CG GLU A 58 4.724 -2.905 -2.099 1.00 0.00 C ATOM 911 CD GLU A 58 4.233 -2.948 -0.637 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.858 -2.307 0.228 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.218 -3.612 -0.343 1.00 0.00 O ATOM 0 H GLU A 58 6.969 -2.036 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 58 4.433 -2.054 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.259 -0.818 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.614 -1.137 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.128 -3.593 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.755 -3.256 -2.142 1.00 0.00 H new ATOM 920 N LEU A 59 6.059 0.821 -4.625 1.00 0.00 N ATOM 921 CA LEU A 59 6.139 2.226 -5.116 1.00 0.00 C ATOM 922 C LEU A 59 5.889 2.297 -6.633 1.00 0.00 C ATOM 923 O LEU A 59 5.148 3.165 -7.113 1.00 0.00 O ATOM 924 CB LEU A 59 7.538 2.854 -4.757 1.00 0.00 C ATOM 925 CG LEU A 59 7.611 3.775 -3.501 1.00 0.00 C ATOM 926 CD1 LEU A 59 6.903 5.103 -3.777 1.00 0.00 C ATOM 927 CD2 LEU A 59 7.032 3.085 -2.253 1.00 0.00 C ATOM 0 H LEU A 59 6.928 0.496 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 59 5.359 2.803 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.247 2.038 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.879 3.430 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 59 8.662 3.978 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.961 5.737 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.385 5.605 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.857 4.914 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.101 3.759 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.987 2.830 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.597 2.176 -2.044 1.00 0.00 H new ATOM 939 N GLN A 60 6.517 1.371 -7.375 1.00 0.00 N ATOM 940 CA GLN A 60 6.336 1.256 -8.834 1.00 0.00 C ATOM 941 C GLN A 60 4.935 0.710 -9.202 1.00 0.00 C ATOM 942 O GLN A 60 4.514 0.785 -10.358 1.00 0.00 O ATOM 943 CB GLN A 60 7.463 0.368 -9.430 1.00 0.00 C ATOM 944 CG GLN A 60 8.917 0.793 -9.074 1.00 0.00 C ATOM 945 CD GLN A 60 9.342 2.197 -9.557 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.546 3.126 -9.667 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.619 2.367 -9.848 1.00 0.00 N ATOM 0 H GLN A 60 7.162 0.684 -6.985 1.00 0.00 H new ATOM 0 HA GLN A 60 6.403 2.254 -9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.310 -0.657 -9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.361 0.363 -10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.033 0.751 -7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.604 0.060 -9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.272 1.589 -9.753 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.953 3.276 -10.168 1.00 0.00 H new ATOM 956 N LYS A 61 4.228 0.160 -8.199 1.00 0.00 N ATOM 957 CA LYS A 61 2.837 -0.316 -8.335 1.00 0.00 C ATOM 958 C LYS A 61 1.817 0.723 -7.789 1.00 0.00 C ATOM 959 O LYS A 61 0.606 0.526 -7.922 1.00 0.00 O ATOM 960 CB LYS A 61 2.690 -1.681 -7.610 1.00 0.00 C ATOM 961 CG LYS A 61 3.533 -2.824 -8.225 1.00 0.00 C ATOM 962 CD LYS A 61 3.096 -3.176 -9.670 1.00 0.00 C ATOM 963 CE LYS A 61 3.936 -4.305 -10.299 1.00 0.00 C ATOM 964 NZ LYS A 61 5.351 -3.902 -10.517 1.00 0.00 N ATOM 0 H LYS A 61 4.609 0.032 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 61 2.614 -0.446 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.975 -1.557 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.640 -1.974 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.584 -2.535 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.448 -3.711 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.047 -3.472 -9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.172 -2.285 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.906 -5.181 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.493 -4.597 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.868 -4.681 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.382 -3.062 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.794 -3.681 -9.602 1.00 0.00 H new ATOM 978 N LEU A 62 2.317 1.814 -7.165 1.00 0.00 N ATOM 979 CA LEU A 62 1.484 2.955 -6.731 1.00 0.00 C ATOM 980 C LEU A 62 1.309 3.912 -7.925 1.00 0.00 C ATOM 981 O LEU A 62 2.243 4.606 -8.273 1.00 0.00 O ATOM 982 CB LEU A 62 2.144 3.736 -5.542 1.00 0.00 C ATOM 983 CG LEU A 62 2.359 2.978 -4.191 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.142 3.856 -3.182 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.018 2.493 -3.593 1.00 0.00 C ATOM 0 H LEU A 62 3.308 1.926 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 62 0.523 2.572 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.115 4.098 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.530 4.613 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 62 2.959 2.092 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.278 3.306 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.116 4.110 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.583 4.771 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.206 1.971 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.371 3.350 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.531 1.816 -4.294 1.00 0.00 H new ATOM 997 N LYS A 63 0.142 3.903 -8.577 1.00 0.00 N ATOM 998 CA LYS A 63 -0.173 4.835 -9.688 1.00 0.00 C ATOM 999 C LYS A 63 -0.835 6.118 -9.133 1.00 0.00 C ATOM 1000 O LYS A 63 -0.579 7.228 -9.634 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.069 4.092 -10.738 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.573 4.937 -11.950 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.908 5.672 -11.668 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.386 6.566 -12.815 1.00 0.00 C ATOM 1005 NZ LYS A 63 -4.661 7.255 -12.469 1.00 0.00 N ATOM 0 H LYS A 63 -0.615 3.255 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 63 0.739 5.151 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.506 3.243 -11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.938 3.688 -10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.811 5.670 -12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.701 4.283 -12.813 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.679 4.932 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.792 6.281 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.620 7.307 -13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.527 5.965 -13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.986 7.813 -13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.383 6.547 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.505 7.886 -11.657 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.669 5.950 -8.091 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.445 7.049 -7.470 1.00 0.00 C ATOM 1021 C ASN A 64 -2.698 6.799 -5.969 1.00 0.00 C ATOM 1022 O ASN A 64 -2.282 5.777 -5.422 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.789 7.279 -8.243 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.653 6.040 -8.554 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.654 5.029 -7.703 1.00 0.00 O flip ATOM 1026 ND2 ASN A 64 -5.360 6.018 -9.565 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.827 5.044 -7.650 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.847 7.958 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.395 7.975 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.554 7.771 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.349 6.806 -10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.956 5.212 -9.753 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.419 7.747 -5.323 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.809 7.673 -3.895 1.00 0.00 C ATOM 1035 C VAL A 65 -4.874 6.578 -3.678 1.00 0.00 C ATOM 1036 O VAL A 65 -5.119 6.158 -2.552 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.316 9.075 -3.359 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.703 9.031 -1.859 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.248 10.166 -3.602 1.00 0.00 C ATOM 0 H VAL A 65 -3.750 8.594 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.922 7.406 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.218 9.321 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.044 10.017 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.503 8.306 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.835 8.740 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.613 11.122 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.329 9.899 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.047 10.247 -4.670 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.488 6.105 -4.776 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.322 4.906 -4.737 1.00 0.00 C ATOM 1051 C GLY A 66 -5.507 3.672 -4.391 1.00 0.00 C ATOM 1052 O GLY A 66 -5.954 2.829 -3.622 1.00 0.00 O ATOM 0 H GLY A 66 -5.419 6.538 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.115 5.037 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.804 4.765 -5.704 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.277 3.606 -4.947 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.306 2.549 -4.624 1.00 0.00 C ATOM 1058 C ASP A 67 -2.825 2.711 -3.188 1.00 0.00 C ATOM 1059 O ASP A 67 -2.724 1.727 -2.479 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.102 2.553 -5.593 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.501 2.222 -7.031 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.723 1.033 -7.337 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.627 3.141 -7.851 1.00 0.00 O ATOM 0 H ASP A 67 -3.935 4.283 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.810 1.589 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.625 3.533 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.362 1.830 -5.250 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.549 3.963 -2.750 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.216 4.237 -1.332 1.00 0.00 C ATOM 1070 C LEU A 68 -3.375 3.805 -0.423 1.00 0.00 C ATOM 1071 O LEU A 68 -3.147 3.256 0.632 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.865 5.736 -1.059 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.421 6.215 -1.417 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.648 5.310 -0.787 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.222 6.365 -2.939 1.00 0.00 C ATOM 0 H LEU A 68 -2.550 4.788 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.323 3.654 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.572 6.353 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.032 5.933 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.298 7.208 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.639 5.674 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.541 5.322 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.524 4.291 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.795 6.700 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.391 5.404 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.929 7.098 -3.328 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.613 4.011 -0.873 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.809 3.642 -0.102 1.00 0.00 C ATOM 1089 C ALA A 69 -5.869 2.115 0.108 1.00 0.00 C ATOM 1090 O ALA A 69 -6.176 1.649 1.205 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.072 4.161 -0.797 1.00 0.00 C ATOM 0 H ALA A 69 -4.819 4.436 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.751 4.109 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.949 3.880 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.023 5.247 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.144 3.726 -1.794 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.538 1.369 -0.959 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.442 -0.105 -0.932 1.00 0.00 C ATOM 1099 C ASP A 70 -4.307 -0.555 0.001 1.00 0.00 C ATOM 1100 O ASP A 70 -4.526 -1.364 0.897 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.188 -0.675 -2.348 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.251 -0.279 -3.378 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.468 -0.361 -3.072 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -5.881 0.084 -4.515 1.00 0.00 O ATOM 0 H ASP A 70 -5.328 1.772 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.393 -0.487 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.213 -0.333 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.142 -1.762 -2.288 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.107 0.024 -0.204 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.871 -0.398 0.480 1.00 0.00 C ATOM 1111 C LEU A 71 -1.938 -0.077 1.986 1.00 0.00 C ATOM 1112 O LEU A 71 -1.749 -0.971 2.797 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.589 0.231 -0.182 1.00 0.00 C ATOM 1114 CG LEU A 71 0.088 -0.577 -1.343 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.439 -2.000 -0.894 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.763 -0.590 -2.622 1.00 0.00 C ATOM 0 H LEU A 71 -2.969 0.800 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.790 -1.479 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.856 1.215 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.154 0.385 0.600 1.00 0.00 H new ATOM 0 HG LEU A 71 1.016 -0.060 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.907 -2.537 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.130 -1.956 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.470 -2.521 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.250 -1.162 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.729 -1.049 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.915 0.432 -2.968 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.212 1.195 2.342 1.00 0.00 N ATOM 1129 CA VAL A 72 -2.383 1.642 3.747 1.00 0.00 C ATOM 1130 C VAL A 72 -3.432 0.770 4.479 1.00 0.00 C ATOM 1131 O VAL A 72 -3.191 0.337 5.599 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.784 3.177 3.824 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -3.063 3.630 5.277 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.692 4.076 3.171 1.00 0.00 C ATOM 0 H VAL A 72 -2.322 1.947 1.662 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.423 1.522 4.248 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.709 3.293 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.334 4.686 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.883 3.043 5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.169 3.481 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.993 5.121 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.746 3.937 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.572 3.800 2.123 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.557 0.463 3.795 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.640 -0.394 4.349 1.00 0.00 C ATOM 1146 C ASP A 73 -5.138 -1.832 4.606 1.00 0.00 C ATOM 1147 O ASP A 73 -5.441 -2.431 5.646 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.837 -0.426 3.367 1.00 0.00 C ATOM 1149 CG ASP A 73 -8.090 -1.115 3.930 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.828 -0.482 4.708 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.350 -2.284 3.596 1.00 0.00 O ATOM 0 H ASP A 73 -4.743 0.798 2.850 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.957 0.032 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.092 0.596 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.532 -0.939 2.455 1.00 0.00 H new ATOM 1156 N LYS A 74 -4.358 -2.348 3.641 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.762 -3.705 3.710 1.00 0.00 C ATOM 1158 C LYS A 74 -2.788 -3.806 4.888 1.00 0.00 C ATOM 1159 O LYS A 74 -2.801 -4.787 5.634 1.00 0.00 O ATOM 1160 CB LYS A 74 -3.050 -4.095 2.379 1.00 0.00 C ATOM 1161 CG LYS A 74 -4.005 -4.476 1.223 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.836 -5.755 1.524 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.791 -6.122 0.374 1.00 0.00 C ATOM 1164 NZ LYS A 74 -5.060 -6.438 -0.877 1.00 0.00 N ATOM 0 H LYS A 74 -4.119 -1.841 2.789 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.577 -4.411 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.427 -3.260 2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.382 -4.935 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.683 -3.645 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.424 -4.632 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.159 -6.589 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.413 -5.603 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.397 -6.980 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.476 -5.294 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.726 -6.809 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.611 -5.575 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.330 -7.152 -0.681 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.987 -2.747 5.078 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.927 -2.703 6.096 1.00 0.00 C ATOM 1180 C LYS A 75 -1.526 -2.506 7.488 1.00 0.00 C ATOM 1181 O LYS A 75 -1.042 -3.100 8.444 1.00 0.00 O ATOM 1182 CB LYS A 75 0.089 -1.583 5.750 1.00 0.00 C ATOM 1183 CG LYS A 75 0.774 -1.804 4.389 1.00 0.00 C ATOM 1184 CD LYS A 75 1.670 -0.635 3.934 1.00 0.00 C ATOM 1185 CE LYS A 75 2.173 -0.835 2.491 1.00 0.00 C ATOM 1186 NZ LYS A 75 2.854 -2.142 2.315 1.00 0.00 N ATOM 0 H LYS A 75 -2.057 -1.892 4.526 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.396 -3.655 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.425 -0.622 5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.848 -1.532 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.378 -2.710 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.008 -1.975 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.112 0.299 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.522 -0.545 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.331 -0.769 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.861 -0.030 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.582 -2.057 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.300 -2.425 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.158 -2.861 2.033 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.602 -1.695 7.584 1.00 0.00 N ATOM 1201 CA LEU A 76 -3.336 -1.482 8.850 1.00 0.00 C ATOM 1202 C LEU A 76 -4.048 -2.775 9.281 1.00 0.00 C ATOM 1203 O LEU A 76 -4.152 -3.051 10.476 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.345 -0.301 8.744 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.721 1.127 8.611 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.820 2.211 8.505 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.732 1.425 9.770 1.00 0.00 C ATOM 0 H LEU A 76 -2.983 -1.174 6.794 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.607 -1.213 9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.989 -0.476 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.984 -0.315 9.627 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.148 1.152 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.355 3.193 8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.437 2.019 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.443 2.186 9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.317 2.425 9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.259 1.366 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.924 0.693 9.756 1.00 0.00 H new ATOM 1219 N ALA A 77 -4.516 -3.560 8.288 1.00 0.00 N ATOM 1220 CA ALA A 77 -5.068 -4.916 8.509 1.00 0.00 C ATOM 1221 C ALA A 77 -4.005 -5.852 9.136 1.00 0.00 C ATOM 1222 O ALA A 77 -4.322 -6.692 9.987 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.610 -5.491 7.189 1.00 0.00 C ATOM 0 H ALA A 77 -4.522 -3.273 7.309 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.896 -4.843 9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.013 -6.488 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.399 -4.843 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.803 -5.550 6.459 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.737 -5.679 8.709 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.585 -6.410 9.282 1.00 0.00 C ATOM 1231 C ARG A 78 -1.238 -5.846 10.686 1.00 0.00 C ATOM 1232 O ARG A 78 -0.837 -6.594 11.577 1.00 0.00 O ATOM 1233 CB ARG A 78 -0.341 -6.313 8.343 1.00 0.00 C ATOM 1234 CG ARG A 78 -0.595 -6.665 6.860 1.00 0.00 C ATOM 1235 CD ARG A 78 -1.041 -8.120 6.630 1.00 0.00 C ATOM 1236 NE ARG A 78 0.080 -9.078 6.742 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.023 -10.367 6.380 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.120 -10.920 6.004 1.00 0.00 N ATOM 1239 NH2 ARG A 78 1.121 -11.114 6.404 1.00 0.00 N ATOM 0 H ARG A 78 -2.482 -5.033 7.962 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.861 -7.460 9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.053 -5.298 8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.435 -6.975 8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.358 -5.995 6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.317 -6.481 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.811 -8.380 7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.492 -8.207 5.642 1.00 0.00 H new ATOM 0 HE ARG A 78 0.961 -8.732 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.975 -10.363 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.146 -11.903 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.009 -10.707 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.077 -12.095 6.128 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.430 -4.513 10.875 1.00 0.00 N ATOM 1254 CA LYS A 79 -1.061 -3.782 12.122 1.00 0.00 C ATOM 1255 C LYS A 79 -1.874 -4.205 13.364 1.00 0.00 C ATOM 1256 O LYS A 79 -1.575 -3.722 14.468 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.185 -2.239 11.922 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.099 -1.599 11.027 1.00 0.00 C ATOM 1259 CD LYS A 79 1.327 -1.779 11.588 1.00 0.00 C ATOM 1260 CE LYS A 79 2.396 -1.077 10.741 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.739 -1.224 11.344 1.00 0.00 N ATOM 0 H LYS A 79 -1.847 -3.911 10.165 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.024 -4.055 12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.162 -2.023 11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.155 -1.759 12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.150 -2.040 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.308 -0.535 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.363 -1.389 12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.557 -2.843 11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.399 -1.495 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.151 -0.019 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.336 -0.421 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.654 -1.244 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.172 -2.110 11.015 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.914 -5.053 13.191 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.632 -5.660 14.331 1.00 0.00 C ATOM 1277 C LEU A 80 -2.695 -6.637 15.075 1.00 0.00 C ATOM 1278 O LEU A 80 -2.666 -7.842 14.801 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.956 -6.368 13.888 1.00 0.00 C ATOM 1280 CG LEU A 80 -6.199 -5.459 13.603 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.500 -4.513 14.788 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -6.073 -4.690 12.278 1.00 0.00 C ATOM 0 H LEU A 80 -3.272 -5.330 12.277 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.925 -4.860 15.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.745 -6.943 12.986 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.232 -7.082 14.664 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.054 -6.127 13.494 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.369 -3.899 14.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.705 -5.103 15.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.639 -3.869 14.968 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.961 -4.075 12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.190 -4.051 12.311 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.979 -5.398 11.454 1.00 0.00 H new ATOM 1294 N GLU A 81 -1.895 -6.064 15.988 1.00 0.00 N ATOM 1295 CA GLU A 81 -0.923 -6.786 16.824 1.00 0.00 C ATOM 1296 C GLU A 81 -1.622 -7.181 18.143 1.00 0.00 C ATOM 1297 O GLU A 81 -2.820 -7.477 18.140 1.00 0.00 O ATOM 1298 CB GLU A 81 0.345 -5.863 17.057 1.00 0.00 C ATOM 1299 CG GLU A 81 1.698 -6.511 16.694 1.00 0.00 C ATOM 1300 CD GLU A 81 1.972 -7.818 17.458 1.00 0.00 C ATOM 1301 OE1 GLU A 81 2.427 -7.751 18.621 1.00 0.00 O ATOM 1302 OE2 GLU A 81 1.720 -8.913 16.908 1.00 0.00 O ATOM 0 H GLU A 81 -1.907 -5.060 16.170 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.573 -7.698 16.341 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.226 -4.953 16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.371 -5.565 18.105 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.720 -6.713 15.623 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.500 -5.802 16.902 1.00 0.00 H new ATOM 1309 N HIS A 82 -0.877 -7.220 19.260 1.00 0.00 N ATOM 1310 CA HIS A 82 -1.466 -7.360 20.611 1.00 0.00 C ATOM 1311 C HIS A 82 -1.856 -5.966 21.165 1.00 0.00 C ATOM 1312 O HIS A 82 -1.860 -4.987 20.406 1.00 0.00 O ATOM 1313 CB HIS A 82 -0.468 -8.109 21.530 1.00 0.00 C ATOM 1314 CG HIS A 82 -0.117 -9.485 21.016 1.00 0.00 C ATOM 1315 ND1 HIS A 82 1.050 -9.762 20.333 1.00 0.00 N ATOM 1316 CD2 HIS A 82 -0.805 -10.654 21.056 1.00 0.00 C ATOM 1317 CE1 HIS A 82 1.064 -11.032 19.983 1.00 0.00 C ATOM 1318 NE2 HIS A 82 -0.047 -11.595 20.409 1.00 0.00 N ATOM 0 H HIS A 82 0.141 -7.156 19.258 1.00 0.00 H new ATOM 0 HA HIS A 82 -2.381 -7.951 20.567 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.443 -7.519 21.626 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.897 -8.198 22.528 1.00 0.00 H new ATOM 0 HD1 HIS A 82 1.788 -9.087 20.130 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.771 -10.813 21.513 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.854 -11.528 19.438 1.00 0.00 H new ATOM 1327 N HIS A 83 -2.208 -5.899 22.477 1.00 0.00 N ATOM 1328 CA HIS A 83 -2.740 -4.682 23.161 1.00 0.00 C ATOM 1329 C HIS A 83 -4.169 -4.364 22.662 1.00 0.00 C ATOM 1330 O HIS A 83 -5.147 -4.681 23.348 1.00 0.00 O ATOM 1331 CB HIS A 83 -1.819 -3.425 23.010 1.00 0.00 C ATOM 1332 CG HIS A 83 -0.430 -3.585 23.568 1.00 0.00 C ATOM 1333 ND1 HIS A 83 0.653 -3.960 22.803 1.00 0.00 N ATOM 1334 CD2 HIS A 83 0.048 -3.395 24.822 1.00 0.00 C ATOM 1335 CE1 HIS A 83 1.730 -3.994 23.561 1.00 0.00 C ATOM 1336 NE2 HIS A 83 1.393 -3.656 24.789 1.00 0.00 N ATOM 0 H HIS A 83 -2.130 -6.701 23.102 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.765 -4.917 24.225 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.743 -3.174 21.952 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.298 -2.580 23.505 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.525 -3.094 25.687 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.724 -4.256 23.231 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.029 -3.598 25.585 1.00 0.00 H new ATOM 1345 N HIS A 84 -4.246 -3.771 21.437 1.00 0.00 N ATOM 1346 CA HIS A 84 -5.495 -3.311 20.785 1.00 0.00 C ATOM 1347 C HIS A 84 -6.129 -2.092 21.494 1.00 0.00 C ATOM 1348 O HIS A 84 -5.888 -1.836 22.677 1.00 0.00 O ATOM 1349 CB HIS A 84 -6.543 -4.449 20.647 1.00 0.00 C ATOM 1350 CG HIS A 84 -6.126 -5.600 19.773 1.00 0.00 C ATOM 1351 ND1 HIS A 84 -6.027 -6.896 20.229 1.00 0.00 N ATOM 1352 CD2 HIS A 84 -5.828 -5.647 18.454 1.00 0.00 C ATOM 1353 CE1 HIS A 84 -5.686 -7.683 19.235 1.00 0.00 C ATOM 1354 NE2 HIS A 84 -5.558 -6.951 18.148 1.00 0.00 N ATOM 0 H HIS A 84 -3.418 -3.598 20.867 1.00 0.00 H new ATOM 0 HA HIS A 84 -5.196 -2.997 19.785 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.772 -4.833 21.641 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.465 -4.026 20.248 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.807 -4.811 17.771 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.536 -8.751 19.298 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.299 -7.301 17.226 1.00 0.00 H new ATOM 1363 N HIS A 85 -6.954 -1.353 20.729 1.00 0.00 N ATOM 1364 CA HIS A 85 -7.760 -0.232 21.236 1.00 0.00 C ATOM 1365 C HIS A 85 -8.998 -0.077 20.329 1.00 0.00 C ATOM 1366 O HIS A 85 -8.879 0.341 19.168 1.00 0.00 O ATOM 1367 CB HIS A 85 -6.921 1.080 21.337 1.00 0.00 C ATOM 1368 CG HIS A 85 -6.341 1.602 20.038 1.00 0.00 C ATOM 1369 ND1 HIS A 85 -5.450 0.885 19.268 1.00 0.00 N ATOM 1370 CD2 HIS A 85 -6.562 2.757 19.362 1.00 0.00 C ATOM 1371 CE1 HIS A 85 -5.156 1.574 18.182 1.00 0.00 C ATOM 1372 NE2 HIS A 85 -5.814 2.714 18.213 1.00 0.00 N ATOM 0 H HIS A 85 -7.079 -1.521 19.731 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.092 -0.442 22.253 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -7.551 1.858 21.768 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.101 0.910 22.035 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.209 3.564 19.672 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.486 1.255 17.397 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.774 3.444 17.501 1.00 0.00 H new ATOM 1381 N HIS A 86 -10.171 -0.508 20.867 1.00 0.00 N ATOM 1382 CA HIS A 86 -11.462 -0.596 20.132 1.00 0.00 C ATOM 1383 C HIS A 86 -11.367 -1.628 18.971 1.00 0.00 C ATOM 1384 O HIS A 86 -10.280 -2.127 18.650 1.00 0.00 O ATOM 1385 CB HIS A 86 -11.897 0.816 19.636 1.00 0.00 C ATOM 1386 CG HIS A 86 -13.277 0.901 19.016 1.00 0.00 C ATOM 1387 ND1 HIS A 86 -13.523 0.634 17.682 1.00 0.00 N ATOM 1388 CD2 HIS A 86 -14.476 1.217 19.553 1.00 0.00 C ATOM 1389 CE1 HIS A 86 -14.803 0.782 17.432 1.00 0.00 C ATOM 1390 NE2 HIS A 86 -15.404 1.135 18.550 1.00 0.00 N ATOM 0 H HIS A 86 -10.247 -0.809 21.839 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.235 -0.956 20.811 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -11.855 1.505 20.479 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -11.168 1.164 18.904 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -12.818 0.363 16.997 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.667 1.484 20.582 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -15.281 0.639 16.474 1.00 0.00 H new ATOM 1399 N HIS A 87 -12.514 -1.983 18.371 1.00 0.00 N ATOM 1400 CA HIS A 87 -12.552 -2.852 17.189 1.00 0.00 C ATOM 1401 C HIS A 87 -12.154 -2.032 15.931 1.00 0.00 C ATOM 1402 O HIS A 87 -13.024 -1.333 15.369 1.00 0.00 O ATOM 1403 CB HIS A 87 -13.955 -3.501 17.040 1.00 0.00 C ATOM 1404 CG HIS A 87 -14.047 -4.497 15.913 1.00 0.00 C ATOM 1405 ND1 HIS A 87 -14.574 -4.190 14.680 1.00 0.00 N ATOM 1406 CD2 HIS A 87 -13.650 -5.788 15.834 1.00 0.00 C ATOM 1407 CE1 HIS A 87 -14.494 -5.240 13.894 1.00 0.00 C ATOM 1408 NE2 HIS A 87 -13.939 -6.226 14.568 1.00 0.00 N ATOM 1409 OXT HIS A 87 -10.966 -2.047 15.550 1.00 0.00 O ATOM 0 H HIS A 87 -13.433 -1.677 18.690 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.834 -3.664 17.305 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.216 -3.998 17.974 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.693 -2.715 16.880 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.191 -6.366 16.622 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -14.827 -5.287 12.868 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.755 -7.162 14.207 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 9.733 13.424 -10.613 1.00 0.00 P HETATM 1420 O25 PNS A 88 11.129 12.969 -10.799 1.00 0.00 O HETATM 1421 O26 PNS A 88 9.317 14.849 -10.569 1.00 0.00 O HETATM 1422 O27 PNS A 88 8.679 12.315 -10.126 1.00 0.00 O HETATM 1423 C28 PNS A 88 7.288 12.427 -10.431 1.00 0.00 C HETATM 1424 C29 PNS A 88 6.541 11.062 -10.253 1.00 0.00 C HETATM 1425 C30 PNS A 88 5.067 11.246 -10.713 1.00 0.00 C HETATM 1426 C31 PNS A 88 6.527 10.677 -8.741 1.00 0.00 C HETATM 1427 C32 PNS A 88 7.260 9.945 -11.146 1.00 0.00 C HETATM 1428 O33 PNS A 88 8.325 9.323 -10.409 1.00 0.00 O HETATM 1429 C34 PNS A 88 6.284 8.842 -11.626 1.00 0.00 C HETATM 1430 O35 PNS A 88 6.043 8.704 -12.833 1.00 0.00 O HETATM 1431 N36 PNS A 88 5.739 8.076 -10.681 1.00 0.00 N HETATM 1432 C37 PNS A 88 4.780 6.997 -10.975 1.00 0.00 C HETATM 1433 C38 PNS A 88 4.297 6.302 -9.701 1.00 0.00 C HETATM 1434 C39 PNS A 88 3.774 7.265 -8.620 1.00 0.00 C HETATM 1435 O40 PNS A 88 4.384 7.377 -7.557 1.00 0.00 O HETATM 1436 N41 PNS A 88 2.653 7.975 -8.902 1.00 0.00 N HETATM 1437 C42 PNS A 88 2.034 8.950 -7.957 1.00 0.00 C HETATM 1438 C43 PNS A 88 1.081 8.307 -6.932 1.00 0.00 C HETATM 1439 S44 PNS A 88 1.863 7.066 -5.883 1.00 0.00 S HETATM 0 H432 PNS A 88 0.661 9.090 -6.300 1.00 0.00 H new HETATM 0 H431 PNS A 88 0.249 7.846 -7.464 1.00 0.00 H new HETATM 0 H422 PNS A 88 1.485 9.698 -8.530 1.00 0.00 H new HETATM 0 H421 PNS A 88 2.825 9.476 -7.423 1.00 0.00 H new HETATM 0 H382 PNS A 88 5.118 5.717 -9.285 1.00 0.00 H new HETATM 0 H381 PNS A 88 3.505 5.600 -9.961 1.00 0.00 H new HETATM 0 H372 PNS A 88 5.248 6.265 -11.633 1.00 0.00 H new HETATM 0 H371 PNS A 88 3.925 7.408 -11.511 1.00 0.00 H new HETATM 0 H313 PNS A 88 6.008 9.727 -8.612 1.00 0.00 H new HETATM 0 H312 PNS A 88 6.012 11.452 -8.173 1.00 0.00 H new HETATM 0 H311 PNS A 88 7.551 10.583 -8.380 1.00 0.00 H new HETATM 0 H303 PNS A 88 4.529 10.305 -10.597 1.00 0.00 H new HETATM 0 H302 PNS A 88 5.048 11.548 -11.760 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.589 12.014 -10.105 1.00 0.00 H new HETATM 0 H282 PNS A 88 7.168 12.776 -11.457 1.00 0.00 H new HETATM 0 H281 PNS A 88 6.833 13.177 -9.784 1.00 0.00 H new HETATM 0 H44 PNS A 88 3.132 7.002 -6.158 1.00 0.00 H new HETATM 0 H41 PNS A 88 2.209 7.835 -9.810 1.00 0.00 H new HETATM 0 H36 PNS A 88 5.998 8.245 -9.709 1.00 0.00 H new HETATM 0 H33 PNS A 88 8.882 10.014 -9.993 1.00 0.00 H new HETATM 0 H32 PNS A 88 7.650 10.461 -12.024 1.00 0.00 H new