USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 15 THR OG1 : rot -120:sc= 0.204 USER MOD Set 1.2: A 18 THR OG1 : rot 120:sc= 0.881 USER MOD Set 2.1: A 2 THR OG1 : rot 180:sc= 0.92 USER MOD Set 2.2: A 4 THR OG1 : rot -75:sc= 0.764 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 130:sc= -0.792 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.178 (180deg=-0.794) USER MOD Single : A 13 CYS SG : rot -82:sc= -0.767! USER MOD Single : A 14 THR OG1 : rot 93:sc= -1.74! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -9.6! C(o=-9.6!,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.158 (180deg=-0.907) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -103:sc= -0.154 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.38! X(o=-2.4!,f=-2.6) USER MOD Single : A 50 THR OG1 : rot 68:sc= 1.02 USER MOD Single : A 51 MET CE :methyl -155:sc= -0.165 (180deg=-1.14) USER MOD Single : A 52 ASN : amide:sc= -3.05! C(o=-3!,f=-11!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 36:sc= 0.388! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 65 HIS : no HE2:sc= -0.0508 K(o=-0.051,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0824 (180deg=-0.565) USER MOD Single : A 68 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-2.6!) USER MOD Single : A 69 HIS : no HE2:sc= 0.782 K(o=0.78,f=-2.9!) USER MOD Single : A 70 HIS : no HD1:sc= -5.03! C(o=-5!,f=-3.4!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.79 K(o=-0.79,f=-2.3!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 72.772 -9.694 1.712 1.00 1.00 N ATOM 2 CA GLY A 1 71.946 -8.798 0.855 1.00 1.00 C ATOM 3 C GLY A 1 72.152 -7.352 1.283 1.00 1.00 C ATOM 4 O GLY A 1 71.190 -6.630 1.543 1.00 1.00 O ATOM 0 H1 GLY A 1 72.631 -10.682 1.419 1.00 1.00 H new ATOM 0 H2 GLY A 1 73.776 -9.443 1.610 1.00 1.00 H new ATOM 0 H3 GLY A 1 72.487 -9.584 2.706 1.00 1.00 H new ATOM 0 HA2 GLY A 1 72.224 -8.921 -0.192 1.00 1.00 H new ATOM 0 HA3 GLY A 1 70.893 -9.067 0.939 1.00 1.00 H new ATOM 10 N THR A 2 73.414 -6.931 1.359 1.00 1.00 N ATOM 11 CA THR A 2 73.732 -5.562 1.760 1.00 1.00 C ATOM 12 C THR A 2 73.473 -4.601 0.608 1.00 1.00 C ATOM 13 O THR A 2 73.356 -5.011 -0.548 1.00 1.00 O ATOM 14 CB THR A 2 75.195 -5.466 2.197 1.00 1.00 C ATOM 15 OG1 THR A 2 76.040 -5.727 1.085 1.00 1.00 O ATOM 16 CG2 THR A 2 75.469 -6.490 3.300 1.00 1.00 C ATOM 0 H THR A 2 74.226 -7.512 1.150 1.00 1.00 H new ATOM 0 HA THR A 2 73.092 -5.289 2.599 1.00 1.00 H new ATOM 0 HB THR A 2 75.395 -4.464 2.577 1.00 1.00 H new ATOM 0 HG1 THR A 2 76.977 -5.664 1.364 1.00 1.00 H new ATOM 0 HG21 THR A 2 76.512 -6.420 3.610 1.00 1.00 H new ATOM 0 HG22 THR A 2 74.822 -6.287 4.154 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.269 -7.493 2.923 1.00 1.00 H new ATOM 24 N LYS A 3 73.373 -3.317 0.941 1.00 1.00 N ATOM 25 CA LYS A 3 73.112 -2.265 -0.049 1.00 1.00 C ATOM 26 C LYS A 3 74.274 -2.133 -1.055 1.00 1.00 C ATOM 27 O LYS A 3 74.083 -1.578 -2.135 1.00 1.00 O ATOM 28 CB LYS A 3 72.713 -0.941 0.621 1.00 1.00 C ATOM 29 CG LYS A 3 71.964 -0.025 -0.358 1.00 1.00 C ATOM 30 CD LYS A 3 71.914 1.430 0.179 1.00 1.00 C ATOM 31 CE LYS A 3 70.946 1.521 1.362 1.00 1.00 C ATOM 32 NZ LYS A 3 70.749 2.953 1.726 1.00 1.00 N ATOM 0 H LYS A 3 73.469 -2.974 1.897 1.00 1.00 H new ATOM 0 HA LYS A 3 72.246 -2.562 -0.640 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.083 -1.144 1.487 1.00 1.00 H new ATOM 0 HB3 LYS A 3 73.605 -0.433 0.988 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.458 -0.042 -1.330 1.00 1.00 H new ATOM 0 HG3 LYS A 3 70.951 -0.397 -0.509 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.910 1.746 0.489 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.597 2.108 -0.614 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.991 1.065 1.101 1.00 1.00 H new ATOM 0 HE3 LYS A 3 71.341 0.968 2.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 70.092 3.020 2.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.663 3.373 1.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 70.354 3.467 0.912 1.00 1.00 H new ATOM 46 N THR A 4 75.444 -2.680 -0.760 1.00 1.00 N ATOM 47 CA THR A 4 76.540 -2.630 -1.741 1.00 1.00 C ATOM 48 C THR A 4 76.045 -3.164 -3.108 1.00 1.00 C ATOM 49 O THR A 4 76.112 -2.465 -4.119 1.00 1.00 O ATOM 50 CB THR A 4 77.641 -3.560 -1.234 1.00 1.00 C ATOM 51 OG1 THR A 4 77.086 -4.838 -0.951 1.00 1.00 O ATOM 52 CG2 THR A 4 78.259 -2.976 0.038 1.00 1.00 C ATOM 0 H THR A 4 75.665 -3.151 0.118 1.00 1.00 H new ATOM 0 HA THR A 4 76.896 -1.607 -1.861 1.00 1.00 H new ATOM 0 HB THR A 4 78.413 -3.660 -1.997 1.00 1.00 H new ATOM 0 HG1 THR A 4 76.571 -4.794 -0.118 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.044 -3.640 0.399 1.00 1.00 H new ATOM 0 HG22 THR A 4 78.684 -1.996 -0.181 1.00 1.00 H new ATOM 0 HG23 THR A 4 77.489 -2.875 0.803 1.00 1.00 H new ATOM 60 N ASP A 5 75.552 -4.397 -3.114 1.00 1.00 N ATOM 61 CA ASP A 5 75.032 -5.064 -4.326 1.00 1.00 C ATOM 62 C ASP A 5 73.996 -4.236 -5.087 1.00 1.00 C ATOM 63 O ASP A 5 73.971 -4.215 -6.317 1.00 1.00 O ATOM 64 CB ASP A 5 74.299 -6.320 -3.862 1.00 1.00 C ATOM 65 CG ASP A 5 75.243 -7.212 -3.062 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.420 -7.234 -3.382 1.00 1.00 O ATOM 67 OD2 ASP A 5 74.776 -7.859 -2.138 1.00 1.00 O ATOM 0 H ASP A 5 75.497 -4.976 -2.276 1.00 1.00 H new ATOM 0 HA ASP A 5 75.881 -5.243 -4.986 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.440 -6.044 -3.250 1.00 1.00 H new ATOM 0 HB3 ASP A 5 73.914 -6.865 -4.724 1.00 1.00 H new ATOM 72 N TYR A 6 73.145 -3.579 -4.331 1.00 1.00 N ATOM 73 CA TYR A 6 72.071 -2.746 -4.869 1.00 1.00 C ATOM 74 C TYR A 6 72.611 -1.526 -5.588 1.00 1.00 C ATOM 75 O TYR A 6 72.338 -1.310 -6.766 1.00 1.00 O ATOM 76 CB TYR A 6 71.215 -2.267 -3.668 1.00 1.00 C ATOM 77 CG TYR A 6 70.284 -3.381 -3.148 1.00 1.00 C ATOM 78 CD1 TYR A 6 70.524 -4.761 -3.387 1.00 1.00 C ATOM 79 CD2 TYR A 6 69.151 -3.008 -2.423 1.00 1.00 C ATOM 80 CE1 TYR A 6 69.636 -5.723 -2.896 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.269 -3.981 -1.937 1.00 1.00 C ATOM 82 CZ TYR A 6 68.512 -5.333 -2.173 1.00 1.00 C ATOM 83 OH TYR A 6 67.640 -6.285 -1.692 1.00 1.00 O ATOM 0 H TYR A 6 73.172 -3.603 -3.312 1.00 1.00 H new ATOM 0 HA TYR A 6 71.493 -3.329 -5.586 1.00 1.00 H new ATOM 0 HB2 TYR A 6 71.871 -1.936 -2.863 1.00 1.00 H new ATOM 0 HB3 TYR A 6 70.619 -1.405 -3.967 1.00 1.00 H new ATOM 0 HD1 TYR A 6 71.394 -5.067 -3.949 1.00 1.00 H new ATOM 0 HD2 TYR A 6 68.953 -1.963 -2.236 1.00 1.00 H new ATOM 0 HE1 TYR A 6 69.822 -6.771 -3.078 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.396 -3.682 -1.376 1.00 1.00 H new ATOM 0 HH TYR A 6 67.470 -6.122 -0.741 1.00 1.00 H new ATOM 93 N LEU A 7 73.346 -0.710 -4.855 1.00 1.00 N ATOM 94 CA LEU A 7 73.877 0.510 -5.413 1.00 1.00 C ATOM 95 C LEU A 7 74.790 0.224 -6.583 1.00 1.00 C ATOM 96 O LEU A 7 74.813 0.981 -7.534 1.00 1.00 O ATOM 97 CB LEU A 7 74.691 1.271 -4.338 1.00 1.00 C ATOM 98 CG LEU A 7 73.759 1.943 -3.291 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.515 2.136 -1.958 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.284 3.319 -3.790 1.00 1.00 C ATOM 0 H LEU A 7 73.585 -0.873 -3.877 1.00 1.00 H new ATOM 0 HA LEU A 7 73.034 1.111 -5.753 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.367 0.580 -3.835 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.309 2.030 -4.817 1.00 1.00 H new ATOM 0 HG LEU A 7 72.896 1.294 -3.142 1.00 1.00 H new ATOM 0 HD11 LEU A 7 73.855 2.607 -1.230 1.00 1.00 H new ATOM 0 HD12 LEU A 7 74.839 1.166 -1.580 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.386 2.771 -2.122 1.00 1.00 H new ATOM 0 HD21 LEU A 7 72.633 3.772 -3.042 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.147 3.963 -3.958 1.00 1.00 H new ATOM 0 HD23 LEU A 7 72.735 3.198 -4.724 1.00 1.00 H new ATOM 112 N MET A 8 75.589 -0.849 -6.503 1.00 1.00 N ATOM 113 CA MET A 8 76.533 -1.092 -7.607 1.00 1.00 C ATOM 114 C MET A 8 75.733 -1.507 -8.838 1.00 1.00 C ATOM 115 O MET A 8 75.828 -0.877 -9.890 1.00 1.00 O ATOM 116 CB MET A 8 77.586 -2.137 -7.224 1.00 1.00 C ATOM 117 CG MET A 8 78.553 -1.567 -6.161 1.00 1.00 C ATOM 118 SD MET A 8 80.016 -2.632 -6.051 1.00 1.00 S ATOM 119 CE MET A 8 80.999 -1.820 -7.335 1.00 1.00 C ATOM 0 H MET A 8 75.607 -1.525 -5.739 1.00 1.00 H new ATOM 0 HA MET A 8 77.086 -0.179 -7.830 1.00 1.00 H new ATOM 0 HB2 MET A 8 77.096 -3.030 -6.837 1.00 1.00 H new ATOM 0 HB3 MET A 8 78.146 -2.439 -8.109 1.00 1.00 H new ATOM 0 HG2 MET A 8 78.847 -0.552 -6.427 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.056 -1.511 -5.193 1.00 1.00 H new ATOM 0 HE1 MET A 8 81.959 -2.327 -7.433 1.00 1.00 H new ATOM 0 HE2 MET A 8 80.466 -1.865 -8.285 1.00 1.00 H new ATOM 0 HE3 MET A 8 81.165 -0.778 -7.062 1.00 1.00 H new ATOM 129 N ARG A 9 74.991 -2.601 -8.728 1.00 1.00 N ATOM 130 CA ARG A 9 74.250 -3.112 -9.872 1.00 1.00 C ATOM 131 C ARG A 9 73.412 -2.011 -10.530 1.00 1.00 C ATOM 132 O ARG A 9 73.456 -1.850 -11.750 1.00 1.00 O ATOM 133 CB ARG A 9 73.333 -4.240 -9.399 1.00 1.00 C ATOM 134 CG ARG A 9 72.759 -4.988 -10.605 1.00 1.00 C ATOM 135 CD ARG A 9 71.712 -6.001 -10.133 1.00 1.00 C ATOM 136 NE ARG A 9 71.271 -6.828 -11.252 1.00 1.00 N ATOM 137 CZ ARG A 9 72.055 -7.779 -11.755 1.00 1.00 C ATOM 138 NH1 ARG A 9 73.230 -8.003 -11.231 1.00 1.00 N ATOM 139 NH2 ARG A 9 71.647 -8.493 -12.768 1.00 1.00 N ATOM 0 H ARG A 9 74.887 -3.145 -7.871 1.00 1.00 H new ATOM 0 HA ARG A 9 74.959 -3.481 -10.613 1.00 1.00 H new ATOM 0 HB2 ARG A 9 73.889 -4.930 -8.764 1.00 1.00 H new ATOM 0 HB3 ARG A 9 72.523 -3.832 -8.794 1.00 1.00 H new ATOM 0 HG2 ARG A 9 72.308 -4.282 -11.302 1.00 1.00 H new ATOM 0 HG3 ARG A 9 73.558 -5.499 -11.142 1.00 1.00 H new ATOM 0 HD2 ARG A 9 72.132 -6.631 -9.349 1.00 1.00 H new ATOM 0 HD3 ARG A 9 70.859 -5.479 -9.699 1.00 1.00 H new ATOM 0 HE ARG A 9 70.347 -6.675 -11.655 1.00 1.00 H new ATOM 0 HH11 ARG A 9 73.548 -7.449 -10.436 1.00 1.00 H new ATOM 0 HH12 ARG A 9 73.830 -8.732 -11.617 1.00 1.00 H new ATOM 0 HH21 ARG A 9 70.727 -8.322 -13.175 1.00 1.00 H new ATOM 0 HH22 ARG A 9 72.248 -9.222 -13.153 1.00 1.00 H new ATOM 153 N LEU A 10 72.671 -1.245 -9.743 1.00 1.00 N ATOM 154 CA LEU A 10 71.866 -0.161 -10.308 1.00 1.00 C ATOM 155 C LEU A 10 72.757 0.931 -10.904 1.00 1.00 C ATOM 156 O LEU A 10 72.552 1.385 -12.027 1.00 1.00 O ATOM 157 CB LEU A 10 71.055 0.479 -9.170 1.00 1.00 C ATOM 158 CG LEU A 10 70.064 -0.543 -8.566 1.00 1.00 C ATOM 159 CD1 LEU A 10 69.516 0.021 -7.240 1.00 1.00 C ATOM 160 CD2 LEU A 10 68.888 -0.823 -9.538 1.00 1.00 C ATOM 0 H LEU A 10 72.607 -1.346 -8.730 1.00 1.00 H new ATOM 0 HA LEU A 10 71.226 -0.573 -11.088 1.00 1.00 H new ATOM 0 HB2 LEU A 10 71.730 0.841 -8.394 1.00 1.00 H new ATOM 0 HB3 LEU A 10 70.509 1.344 -9.547 1.00 1.00 H new ATOM 0 HG LEU A 10 70.589 -1.482 -8.392 1.00 1.00 H new ATOM 0 HD11 LEU A 10 68.815 -0.691 -6.804 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.341 0.189 -6.548 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.004 0.964 -7.430 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.207 -1.545 -9.087 1.00 1.00 H new ATOM 0 HD22 LEU A 10 68.352 0.105 -9.738 1.00 1.00 H new ATOM 0 HD23 LEU A 10 69.277 -1.226 -10.473 1.00 1.00 H new ATOM 172 N ARG A 11 73.652 1.430 -10.060 1.00 1.00 N ATOM 173 CA ARG A 11 74.484 2.583 -10.442 1.00 1.00 C ATOM 174 C ARG A 11 75.231 2.343 -11.759 1.00 1.00 C ATOM 175 O ARG A 11 75.650 3.294 -12.404 1.00 1.00 O ATOM 176 CB ARG A 11 75.440 2.991 -9.298 1.00 1.00 C ATOM 177 CG ARG A 11 76.294 4.289 -9.638 1.00 1.00 C ATOM 178 CD ARG A 11 76.146 5.357 -8.500 1.00 1.00 C ATOM 179 NE ARG A 11 76.686 4.817 -7.257 1.00 1.00 N ATOM 180 CZ ARG A 11 77.993 4.628 -7.094 1.00 1.00 C ATOM 181 NH1 ARG A 11 78.826 4.965 -8.039 1.00 1.00 N ATOM 182 NH2 ARG A 11 78.443 4.109 -5.984 1.00 1.00 N ATOM 0 H ARG A 11 73.825 1.068 -9.122 1.00 1.00 H new ATOM 0 HA ARG A 11 73.812 3.423 -10.617 1.00 1.00 H new ATOM 0 HB2 ARG A 11 74.860 3.171 -8.393 1.00 1.00 H new ATOM 0 HB3 ARG A 11 76.116 2.163 -9.084 1.00 1.00 H new ATOM 0 HG2 ARG A 11 77.343 4.020 -9.758 1.00 1.00 H new ATOM 0 HG3 ARG A 11 75.963 4.711 -10.587 1.00 1.00 H new ATOM 0 HD2 ARG A 11 76.674 6.271 -8.772 1.00 1.00 H new ATOM 0 HD3 ARG A 11 75.097 5.622 -8.369 1.00 1.00 H new ATOM 0 HE ARG A 11 76.048 4.579 -6.497 1.00 1.00 H new ATOM 0 HH11 ARG A 11 78.476 5.374 -8.905 1.00 1.00 H new ATOM 0 HH12 ARG A 11 79.828 4.819 -7.912 1.00 1.00 H new ATOM 0 HH21 ARG A 11 77.793 3.849 -5.242 1.00 1.00 H new ATOM 0 HH22 ARG A 11 79.445 3.964 -5.858 1.00 1.00 H new ATOM 196 N LYS A 12 75.382 1.082 -12.198 1.00 1.00 N ATOM 197 CA LYS A 12 76.068 0.802 -13.487 1.00 1.00 C ATOM 198 C LYS A 12 75.020 0.620 -14.595 1.00 1.00 C ATOM 199 O LYS A 12 75.373 0.410 -15.755 1.00 1.00 O ATOM 200 CB LYS A 12 76.991 -0.441 -13.346 1.00 1.00 C ATOM 201 CG LYS A 12 78.408 -0.021 -12.874 1.00 1.00 C ATOM 202 CD LYS A 12 78.313 0.727 -11.533 1.00 1.00 C ATOM 203 CE LYS A 12 79.725 1.020 -10.983 1.00 1.00 C ATOM 204 NZ LYS A 12 80.643 1.337 -12.113 1.00 1.00 N ATOM 0 H LYS A 12 75.051 0.255 -11.701 1.00 1.00 H new ATOM 0 HA LYS A 12 76.703 1.645 -13.760 1.00 1.00 H new ATOM 0 HB2 LYS A 12 76.558 -1.143 -12.633 1.00 1.00 H new ATOM 0 HB3 LYS A 12 77.060 -0.960 -14.302 1.00 1.00 H new ATOM 0 HG2 LYS A 12 79.040 -0.902 -12.765 1.00 1.00 H new ATOM 0 HG3 LYS A 12 78.876 0.617 -13.624 1.00 1.00 H new ATOM 0 HD2 LYS A 12 77.766 1.660 -11.667 1.00 1.00 H new ATOM 0 HD3 LYS A 12 77.752 0.130 -10.814 1.00 1.00 H new ATOM 0 HE2 LYS A 12 79.688 1.856 -10.285 1.00 1.00 H new ATOM 0 HE3 LYS A 12 80.097 0.158 -10.429 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 81.472 1.852 -11.753 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 80.954 0.454 -12.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 80.145 1.927 -12.810 1.00 1.00 H new ATOM 218 N CYS A 13 73.727 0.727 -14.245 1.00 1.00 N ATOM 219 CA CYS A 13 72.652 0.597 -15.248 1.00 1.00 C ATOM 220 C CYS A 13 72.997 1.435 -16.480 1.00 1.00 C ATOM 221 O CYS A 13 73.019 0.932 -17.603 1.00 1.00 O ATOM 222 CB CYS A 13 71.314 1.066 -14.661 1.00 1.00 C ATOM 223 SG CYS A 13 71.436 2.808 -14.185 1.00 1.00 S ATOM 0 H CYS A 13 73.403 0.900 -13.294 1.00 1.00 H new ATOM 0 HA CYS A 13 72.561 -0.451 -15.534 1.00 1.00 H new ATOM 0 HB2 CYS A 13 70.518 0.934 -15.394 1.00 1.00 H new ATOM 0 HB3 CYS A 13 71.053 0.459 -13.794 1.00 1.00 H new ATOM 0 HG CYS A 13 71.989 2.900 -13.012 1.00 1.00 H new ATOM 229 N THR A 14 73.331 2.706 -16.234 1.00 1.00 N ATOM 230 CA THR A 14 73.762 3.637 -17.289 1.00 1.00 C ATOM 231 C THR A 14 72.606 4.363 -18.000 1.00 1.00 C ATOM 232 O THR A 14 72.863 5.307 -18.749 1.00 1.00 O ATOM 233 CB THR A 14 74.652 2.895 -18.330 1.00 1.00 C ATOM 234 OG1 THR A 14 75.348 1.844 -17.675 1.00 1.00 O ATOM 235 CG2 THR A 14 75.680 3.850 -18.960 1.00 1.00 C ATOM 0 H THR A 14 73.311 3.120 -15.302 1.00 1.00 H new ATOM 0 HA THR A 14 74.338 4.413 -16.785 1.00 1.00 H new ATOM 0 HB THR A 14 74.009 2.504 -19.118 1.00 1.00 H new ATOM 0 HG1 THR A 14 74.831 1.015 -17.747 1.00 1.00 H new ATOM 0 HG21 THR A 14 76.288 3.305 -19.683 1.00 1.00 H new ATOM 0 HG22 THR A 14 75.159 4.664 -19.464 1.00 1.00 H new ATOM 0 HG23 THR A 14 76.323 4.258 -18.180 1.00 1.00 H new ATOM 243 N THR A 15 71.341 3.953 -17.790 1.00 1.00 N ATOM 244 CA THR A 15 70.201 4.630 -18.456 1.00 1.00 C ATOM 245 C THR A 15 68.999 4.755 -17.515 1.00 1.00 C ATOM 246 O THR A 15 68.653 3.824 -16.788 1.00 1.00 O ATOM 247 CB THR A 15 69.801 3.840 -19.724 1.00 1.00 C ATOM 248 OG1 THR A 15 69.809 2.453 -19.428 1.00 1.00 O ATOM 249 CG2 THR A 15 70.804 4.108 -20.860 1.00 1.00 C ATOM 0 H THR A 15 71.081 3.177 -17.181 1.00 1.00 H new ATOM 0 HA THR A 15 70.514 5.637 -18.733 1.00 1.00 H new ATOM 0 HB THR A 15 68.807 4.158 -20.039 1.00 1.00 H new ATOM 0 HG1 THR A 15 70.451 1.998 -20.012 1.00 1.00 H new ATOM 0 HG21 THR A 15 70.509 3.545 -21.746 1.00 1.00 H new ATOM 0 HG22 THR A 15 70.814 5.173 -21.093 1.00 1.00 H new ATOM 0 HG23 THR A 15 71.800 3.796 -20.547 1.00 1.00 H new ATOM 257 N ILE A 16 68.392 5.934 -17.537 1.00 1.00 N ATOM 258 CA ILE A 16 67.246 6.175 -16.660 1.00 1.00 C ATOM 259 C ILE A 16 66.096 5.239 -17.055 1.00 1.00 C ATOM 260 O ILE A 16 65.583 4.493 -16.222 1.00 1.00 O ATOM 261 CB ILE A 16 66.777 7.642 -16.748 1.00 1.00 C ATOM 262 CG1 ILE A 16 67.880 8.593 -16.233 1.00 1.00 C ATOM 263 CG2 ILE A 16 65.501 7.830 -15.908 1.00 1.00 C ATOM 264 CD1 ILE A 16 67.602 10.025 -16.712 1.00 1.00 C ATOM 0 H ILE A 16 68.660 6.719 -18.131 1.00 1.00 H new ATOM 0 HA ILE A 16 67.550 5.977 -15.632 1.00 1.00 H new ATOM 0 HB ILE A 16 66.566 7.879 -17.791 1.00 1.00 H new ATOM 0 HG12 ILE A 16 67.917 8.565 -15.144 1.00 1.00 H new ATOM 0 HG13 ILE A 16 68.854 8.263 -16.593 1.00 1.00 H new ATOM 0 HG21 ILE A 16 65.173 8.867 -15.972 1.00 1.00 H new ATOM 0 HG22 ILE A 16 64.716 7.176 -16.288 1.00 1.00 H new ATOM 0 HG23 ILE A 16 65.710 7.580 -14.868 1.00 1.00 H new ATOM 0 HD11 ILE A 16 68.384 10.690 -16.345 1.00 1.00 H new ATOM 0 HD12 ILE A 16 67.588 10.048 -17.802 1.00 1.00 H new ATOM 0 HD13 ILE A 16 66.636 10.355 -16.330 1.00 1.00 H new ATOM 276 N ASP A 17 65.650 5.336 -18.299 1.00 1.00 N ATOM 277 CA ASP A 17 64.502 4.553 -18.766 1.00 1.00 C ATOM 278 C ASP A 17 64.671 3.047 -18.509 1.00 1.00 C ATOM 279 O ASP A 17 63.697 2.298 -18.432 1.00 1.00 O ATOM 280 CB ASP A 17 64.259 4.809 -20.258 1.00 1.00 C ATOM 281 CG ASP A 17 65.425 4.269 -21.079 1.00 1.00 C ATOM 282 OD1 ASP A 17 66.446 4.934 -21.131 1.00 1.00 O ATOM 283 OD2 ASP A 17 65.279 3.199 -21.645 1.00 1.00 O ATOM 0 H ASP A 17 66.061 5.946 -19.006 1.00 1.00 H new ATOM 0 HA ASP A 17 63.636 4.882 -18.191 1.00 1.00 H new ATOM 0 HB2 ASP A 17 63.331 4.330 -20.571 1.00 1.00 H new ATOM 0 HB3 ASP A 17 64.142 5.878 -20.437 1.00 1.00 H new ATOM 288 N THR A 18 65.932 2.637 -18.339 1.00 1.00 N ATOM 289 CA THR A 18 66.241 1.218 -18.041 1.00 1.00 C ATOM 290 C THR A 18 65.919 0.920 -16.574 1.00 1.00 C ATOM 291 O THR A 18 65.319 -0.107 -16.256 1.00 1.00 O ATOM 292 CB THR A 18 67.684 0.859 -18.387 1.00 1.00 C ATOM 293 OG1 THR A 18 67.896 1.067 -19.777 1.00 1.00 O ATOM 294 CG2 THR A 18 67.944 -0.609 -18.048 1.00 1.00 C ATOM 0 H THR A 18 66.747 3.247 -18.399 1.00 1.00 H new ATOM 0 HA THR A 18 65.614 0.590 -18.673 1.00 1.00 H new ATOM 0 HB THR A 18 68.364 1.488 -17.812 1.00 1.00 H new ATOM 0 HG1 THR A 18 68.605 1.732 -19.904 1.00 1.00 H new ATOM 0 HG21 THR A 18 68.975 -0.863 -18.296 1.00 1.00 H new ATOM 0 HG22 THR A 18 67.776 -0.772 -16.983 1.00 1.00 H new ATOM 0 HG23 THR A 18 67.267 -1.241 -18.623 1.00 1.00 H new ATOM 302 N LEU A 19 66.362 1.806 -15.685 1.00 1.00 N ATOM 303 CA LEU A 19 66.168 1.623 -14.236 1.00 1.00 C ATOM 304 C LEU A 19 64.743 1.118 -13.948 1.00 1.00 C ATOM 305 O LEU A 19 64.522 0.340 -13.036 1.00 1.00 O ATOM 306 CB LEU A 19 66.389 2.970 -13.518 1.00 1.00 C ATOM 307 CG LEU A 19 66.382 2.783 -11.960 1.00 1.00 C ATOM 308 CD1 LEU A 19 67.789 2.435 -11.454 1.00 1.00 C ATOM 309 CD2 LEU A 19 65.913 4.075 -11.262 1.00 1.00 C ATOM 0 H LEU A 19 66.859 2.661 -15.936 1.00 1.00 H new ATOM 0 HA LEU A 19 66.884 0.886 -13.872 1.00 1.00 H new ATOM 0 HB2 LEU A 19 67.339 3.402 -13.832 1.00 1.00 H new ATOM 0 HB3 LEU A 19 65.608 3.673 -13.807 1.00 1.00 H new ATOM 0 HG LEU A 19 65.695 1.970 -11.726 1.00 1.00 H new ATOM 0 HD11 LEU A 19 67.766 2.309 -10.372 1.00 1.00 H new ATOM 0 HD12 LEU A 19 68.124 1.509 -11.920 1.00 1.00 H new ATOM 0 HD13 LEU A 19 68.477 3.240 -11.711 1.00 1.00 H new ATOM 0 HD21 LEU A 19 65.915 3.926 -10.182 1.00 1.00 H new ATOM 0 HD22 LEU A 19 66.588 4.892 -11.517 1.00 1.00 H new ATOM 0 HD23 LEU A 19 64.904 4.322 -11.593 1.00 1.00 H new ATOM 321 N GLU A 20 63.819 1.512 -14.795 1.00 1.00 N ATOM 322 CA GLU A 20 62.434 1.046 -14.696 1.00 1.00 C ATOM 323 C GLU A 20 62.373 -0.466 -14.962 1.00 1.00 C ATOM 324 O GLU A 20 61.746 -1.218 -14.215 1.00 1.00 O ATOM 325 CB GLU A 20 61.608 1.781 -15.754 1.00 1.00 C ATOM 326 CG GLU A 20 61.470 3.269 -15.375 1.00 1.00 C ATOM 327 CD GLU A 20 60.438 3.442 -14.264 1.00 1.00 C ATOM 328 OE1 GLU A 20 59.346 2.916 -14.410 1.00 1.00 O ATOM 329 OE2 GLU A 20 60.753 4.100 -13.287 1.00 1.00 O ATOM 0 H GLU A 20 63.992 2.156 -15.567 1.00 1.00 H new ATOM 0 HA GLU A 20 62.042 1.245 -13.698 1.00 1.00 H new ATOM 0 HB2 GLU A 20 62.086 1.688 -16.729 1.00 1.00 H new ATOM 0 HB3 GLU A 20 60.621 1.326 -15.838 1.00 1.00 H new ATOM 0 HG2 GLU A 20 62.434 3.658 -15.048 1.00 1.00 H new ATOM 0 HG3 GLU A 20 61.172 3.847 -16.250 1.00 1.00 H new ATOM 336 N ARG A 21 62.925 -0.864 -16.087 1.00 1.00 N ATOM 337 CA ARG A 21 62.812 -2.262 -16.515 1.00 1.00 C ATOM 338 C ARG A 21 63.175 -3.250 -15.388 1.00 1.00 C ATOM 339 O ARG A 21 62.444 -4.216 -15.172 1.00 1.00 O ATOM 340 CB ARG A 21 63.716 -2.525 -17.724 1.00 1.00 C ATOM 341 CG ARG A 21 63.418 -3.928 -18.284 1.00 1.00 C ATOM 342 CD ARG A 21 64.183 -4.170 -19.594 1.00 1.00 C ATOM 343 NE ARG A 21 64.015 -5.557 -20.016 1.00 1.00 N ATOM 344 CZ ARG A 21 64.650 -6.036 -21.081 1.00 1.00 C ATOM 345 NH1 ARG A 21 65.432 -5.259 -21.778 1.00 1.00 N ATOM 346 NH2 ARG A 21 64.489 -7.283 -21.432 1.00 1.00 N ATOM 0 H ARG A 21 63.450 -0.260 -16.720 1.00 1.00 H new ATOM 0 HA ARG A 21 61.769 -2.425 -16.785 1.00 1.00 H new ATOM 0 HB2 ARG A 21 63.545 -1.770 -18.492 1.00 1.00 H new ATOM 0 HB3 ARG A 21 64.764 -2.452 -17.432 1.00 1.00 H new ATOM 0 HG2 ARG A 21 63.698 -4.684 -17.550 1.00 1.00 H new ATOM 0 HG3 ARG A 21 62.347 -4.034 -18.459 1.00 1.00 H new ATOM 0 HD2 ARG A 21 63.816 -3.497 -20.369 1.00 1.00 H new ATOM 0 HD3 ARG A 21 65.241 -3.948 -19.454 1.00 1.00 H new ATOM 0 HE ARG A 21 63.398 -6.171 -19.483 1.00 1.00 H new ATOM 0 HH11 ARG A 21 65.556 -4.284 -21.506 1.00 1.00 H new ATOM 0 HH12 ARG A 21 65.919 -5.626 -22.595 1.00 1.00 H new ATOM 0 HH21 ARG A 21 63.876 -7.891 -20.889 1.00 1.00 H new ATOM 0 HH22 ARG A 21 64.977 -7.650 -22.249 1.00 1.00 H new ATOM 360 N VAL A 22 64.287 -3.044 -14.689 1.00 1.00 N ATOM 361 CA VAL A 22 64.689 -3.976 -13.619 1.00 1.00 C ATOM 362 C VAL A 22 63.775 -3.895 -12.378 1.00 1.00 C ATOM 363 O VAL A 22 63.380 -4.914 -11.819 1.00 1.00 O ATOM 364 CB VAL A 22 66.137 -3.681 -13.216 1.00 1.00 C ATOM 365 CG1 VAL A 22 66.646 -4.772 -12.277 1.00 1.00 C ATOM 366 CG2 VAL A 22 67.019 -3.653 -14.466 1.00 1.00 C ATOM 0 H VAL A 22 64.921 -2.258 -14.833 1.00 1.00 H new ATOM 0 HA VAL A 22 64.596 -4.988 -14.013 1.00 1.00 H new ATOM 0 HB VAL A 22 66.176 -2.716 -12.711 1.00 1.00 H new ATOM 0 HG11 VAL A 22 67.676 -4.557 -11.994 1.00 1.00 H new ATOM 0 HG12 VAL A 22 66.023 -4.803 -11.383 1.00 1.00 H new ATOM 0 HG13 VAL A 22 66.603 -5.737 -12.783 1.00 1.00 H new ATOM 0 HG21 VAL A 22 68.050 -3.443 -14.180 1.00 1.00 H new ATOM 0 HG22 VAL A 22 66.971 -4.620 -14.967 1.00 1.00 H new ATOM 0 HG23 VAL A 22 66.665 -2.876 -15.144 1.00 1.00 H new ATOM 376 N ILE A 23 63.538 -2.681 -11.902 1.00 1.00 N ATOM 377 CA ILE A 23 62.775 -2.500 -10.649 1.00 1.00 C ATOM 378 C ILE A 23 61.529 -3.422 -10.603 1.00 1.00 C ATOM 379 O ILE A 23 61.314 -4.095 -9.595 1.00 1.00 O ATOM 380 CB ILE A 23 62.386 -1.016 -10.463 1.00 1.00 C ATOM 381 CG1 ILE A 23 63.661 -0.190 -10.173 1.00 1.00 C ATOM 382 CG2 ILE A 23 61.422 -0.860 -9.273 1.00 1.00 C ATOM 383 CD1 ILE A 23 63.366 1.304 -10.338 1.00 1.00 C ATOM 0 H ILE A 23 63.850 -1.816 -12.344 1.00 1.00 H new ATOM 0 HA ILE A 23 63.417 -2.790 -9.818 1.00 1.00 H new ATOM 0 HB ILE A 23 61.899 -0.664 -11.373 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.012 -0.390 -9.161 1.00 1.00 H new ATOM 0 HG13 ILE A 23 64.460 -0.489 -10.852 1.00 1.00 H new ATOM 0 HG21 ILE A 23 61.157 0.191 -9.155 1.00 1.00 H new ATOM 0 HG22 ILE A 23 60.520 -1.443 -9.457 1.00 1.00 H new ATOM 0 HG23 ILE A 23 61.906 -1.217 -8.364 1.00 1.00 H new ATOM 0 HD11 ILE A 23 64.269 1.878 -10.132 1.00 1.00 H new ATOM 0 HD12 ILE A 23 63.037 1.499 -11.359 1.00 1.00 H new ATOM 0 HD13 ILE A 23 62.582 1.599 -9.641 1.00 1.00 H new ATOM 395 N GLU A 24 60.739 -3.498 -11.665 1.00 1.00 N ATOM 396 CA GLU A 24 59.571 -4.398 -11.669 1.00 1.00 C ATOM 397 C GLU A 24 60.013 -5.861 -11.420 1.00 1.00 C ATOM 398 O GLU A 24 59.290 -6.665 -10.831 1.00 1.00 O ATOM 399 CB GLU A 24 58.839 -4.282 -13.013 1.00 1.00 C ATOM 400 CG GLU A 24 57.694 -5.300 -13.078 1.00 1.00 C ATOM 401 CD GLU A 24 56.773 -4.988 -14.255 1.00 1.00 C ATOM 402 OE1 GLU A 24 56.476 -3.822 -14.458 1.00 1.00 O ATOM 403 OE2 GLU A 24 56.375 -5.921 -14.933 1.00 1.00 O ATOM 0 H GLU A 24 60.872 -2.963 -12.523 1.00 1.00 H new ATOM 0 HA GLU A 24 58.894 -4.106 -10.866 1.00 1.00 H new ATOM 0 HB2 GLU A 24 58.446 -3.273 -13.136 1.00 1.00 H new ATOM 0 HB3 GLU A 24 59.537 -4.455 -13.832 1.00 1.00 H new ATOM 0 HG2 GLU A 24 58.099 -6.307 -13.181 1.00 1.00 H new ATOM 0 HG3 GLU A 24 57.126 -5.279 -12.148 1.00 1.00 H new ATOM 410 N LYS A 25 61.222 -6.153 -11.875 1.00 1.00 N ATOM 411 CA LYS A 25 61.764 -7.513 -11.680 1.00 1.00 C ATOM 412 C LYS A 25 61.875 -7.771 -10.159 1.00 1.00 C ATOM 413 O LYS A 25 61.302 -8.729 -9.642 1.00 1.00 O ATOM 414 CB LYS A 25 63.131 -7.735 -12.402 1.00 1.00 C ATOM 415 CG LYS A 25 63.438 -9.255 -12.439 1.00 1.00 C ATOM 416 CD LYS A 25 64.828 -9.546 -13.062 1.00 1.00 C ATOM 417 CE LYS A 25 64.966 -8.864 -14.433 1.00 1.00 C ATOM 418 NZ LYS A 25 66.028 -9.554 -15.219 1.00 1.00 N ATOM 0 H LYS A 25 61.836 -5.503 -12.365 1.00 1.00 H new ATOM 0 HA LYS A 25 61.083 -8.231 -12.137 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.092 -7.333 -13.415 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.925 -7.203 -11.878 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.402 -9.658 -11.427 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.667 -9.768 -13.014 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.612 -9.191 -12.394 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.965 -10.622 -13.171 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.018 -8.902 -14.969 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.218 -7.811 -14.305 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.125 -9.096 -16.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.932 -9.495 -14.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 65.769 -10.553 -15.351 1.00 1.00 H new ATOM 432 N ASN A 26 62.606 -6.899 -9.462 1.00 1.00 N ATOM 433 CA ASN A 26 62.819 -6.979 -8.009 1.00 1.00 C ATOM 434 C ASN A 26 61.515 -7.088 -7.212 1.00 1.00 C ATOM 435 O ASN A 26 61.500 -7.500 -6.051 1.00 1.00 O ATOM 436 CB ASN A 26 63.509 -5.673 -7.581 1.00 1.00 C ATOM 437 CG ASN A 26 64.918 -5.609 -8.163 1.00 1.00 C ATOM 438 OD1 ASN A 26 65.797 -6.366 -7.748 1.00 1.00 O ATOM 439 ND2 ASN A 26 65.181 -4.758 -9.107 1.00 1.00 N ATOM 0 H ASN A 26 63.076 -6.104 -9.895 1.00 1.00 H new ATOM 0 HA ASN A 26 63.407 -7.874 -7.805 1.00 1.00 H new ATOM 0 HB2 ASN A 26 62.927 -4.817 -7.922 1.00 1.00 H new ATOM 0 HB3 ASN A 26 63.553 -5.616 -6.493 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.118 -4.714 -9.508 1.00 1.00 H new ATOM 0 HD22 ASN A 26 64.451 -4.133 -9.448 1.00 1.00 H new ATOM 446 N LYS A 27 60.474 -6.555 -7.815 1.00 1.00 N ATOM 447 CA LYS A 27 59.192 -6.410 -7.133 1.00 1.00 C ATOM 448 C LYS A 27 58.704 -7.683 -6.428 1.00 1.00 C ATOM 449 O LYS A 27 58.390 -7.612 -5.239 1.00 1.00 O ATOM 450 CB LYS A 27 58.148 -5.952 -8.153 1.00 1.00 C ATOM 451 CG LYS A 27 56.837 -5.515 -7.446 1.00 1.00 C ATOM 452 CD LYS A 27 55.973 -4.734 -8.444 1.00 1.00 C ATOM 453 CE LYS A 27 54.698 -4.248 -7.751 1.00 1.00 C ATOM 454 NZ LYS A 27 55.061 -3.466 -6.536 1.00 1.00 N ATOM 0 H LYS A 27 60.483 -6.213 -8.776 1.00 1.00 H new ATOM 0 HA LYS A 27 59.335 -5.673 -6.343 1.00 1.00 H new ATOM 0 HB2 LYS A 27 58.545 -5.122 -8.738 1.00 1.00 H new ATOM 0 HB3 LYS A 27 57.937 -6.762 -8.852 1.00 1.00 H new ATOM 0 HG2 LYS A 27 56.296 -6.388 -7.081 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.065 -4.896 -6.578 1.00 1.00 H new ATOM 0 HD2 LYS A 27 56.532 -3.884 -8.837 1.00 1.00 H new ATOM 0 HD3 LYS A 27 55.718 -5.368 -9.293 1.00 1.00 H new ATOM 0 HE2 LYS A 27 54.113 -3.630 -8.433 1.00 1.00 H new ATOM 0 HE3 LYS A 27 54.074 -5.098 -7.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.279 -2.826 -6.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.240 -4.117 -5.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 55.918 -2.908 -6.725 1.00 1.00 H new ATOM 468 N TYR A 28 58.587 -8.838 -7.100 1.00 1.00 N ATOM 469 CA TYR A 28 58.077 -10.060 -6.435 1.00 1.00 C ATOM 470 C TYR A 28 59.197 -11.007 -5.977 1.00 1.00 C ATOM 471 O TYR A 28 58.907 -12.136 -5.579 1.00 1.00 O ATOM 472 CB TYR A 28 57.171 -10.810 -7.438 1.00 1.00 C ATOM 473 CG TYR A 28 55.858 -10.072 -7.607 1.00 1.00 C ATOM 474 CD1 TYR A 28 54.808 -10.315 -6.714 1.00 1.00 C ATOM 475 CD2 TYR A 28 55.689 -9.152 -8.651 1.00 1.00 C ATOM 476 CE1 TYR A 28 53.591 -9.640 -6.861 1.00 1.00 C ATOM 477 CE2 TYR A 28 54.471 -8.477 -8.798 1.00 1.00 C ATOM 478 CZ TYR A 28 53.422 -8.721 -7.903 1.00 1.00 C ATOM 479 OH TYR A 28 52.224 -8.053 -8.046 1.00 1.00 O ATOM 0 H TYR A 28 58.831 -8.958 -8.083 1.00 1.00 H new ATOM 0 HA TYR A 28 57.533 -9.751 -5.542 1.00 1.00 H new ATOM 0 HB2 TYR A 28 57.675 -10.897 -8.401 1.00 1.00 H new ATOM 0 HB3 TYR A 28 56.984 -11.824 -7.084 1.00 1.00 H new ATOM 0 HD1 TYR A 28 54.937 -11.025 -5.910 1.00 1.00 H new ATOM 0 HD2 TYR A 28 56.498 -8.964 -9.342 1.00 1.00 H new ATOM 0 HE1 TYR A 28 52.782 -9.828 -6.170 1.00 1.00 H new ATOM 0 HE2 TYR A 28 54.341 -7.768 -9.602 1.00 1.00 H new ATOM 0 HH TYR A 28 52.275 -7.452 -8.818 1.00 1.00 H new ATOM 489 N GLU A 29 60.468 -10.586 -6.063 1.00 1.00 N ATOM 490 CA GLU A 29 61.604 -11.467 -5.678 1.00 1.00 C ATOM 491 C GLU A 29 62.476 -10.895 -4.558 1.00 1.00 C ATOM 492 O GLU A 29 63.428 -11.560 -4.150 1.00 1.00 O ATOM 493 CB GLU A 29 62.485 -11.746 -6.905 1.00 1.00 C ATOM 494 CG GLU A 29 63.058 -10.447 -7.466 1.00 1.00 C ATOM 495 CD GLU A 29 63.899 -10.739 -8.707 1.00 1.00 C ATOM 496 OE1 GLU A 29 63.955 -11.891 -9.106 1.00 1.00 O ATOM 497 OE2 GLU A 29 64.473 -9.805 -9.242 1.00 1.00 O ATOM 0 H GLU A 29 60.742 -9.659 -6.389 1.00 1.00 H new ATOM 0 HA GLU A 29 61.159 -12.386 -5.296 1.00 1.00 H new ATOM 0 HB2 GLU A 29 63.298 -12.418 -6.630 1.00 1.00 H new ATOM 0 HB3 GLU A 29 61.899 -12.252 -7.672 1.00 1.00 H new ATOM 0 HG2 GLU A 29 62.248 -9.762 -7.718 1.00 1.00 H new ATOM 0 HG3 GLU A 29 63.669 -9.953 -6.710 1.00 1.00 H new ATOM 504 N LEU A 30 62.176 -9.677 -4.045 1.00 1.00 N ATOM 505 CA LEU A 30 62.983 -9.061 -2.949 1.00 1.00 C ATOM 506 C LEU A 30 62.117 -9.009 -1.689 1.00 1.00 C ATOM 507 O LEU A 30 62.438 -9.680 -0.712 1.00 1.00 O ATOM 508 CB LEU A 30 63.492 -7.688 -3.424 1.00 1.00 C ATOM 509 CG LEU A 30 63.978 -6.820 -2.267 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.057 -7.565 -1.481 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.580 -5.535 -2.847 1.00 1.00 C ATOM 0 H LEU A 30 61.394 -9.104 -4.363 1.00 1.00 H new ATOM 0 HA LEU A 30 63.868 -9.647 -2.700 1.00 1.00 H new ATOM 0 HB2 LEU A 30 64.306 -7.831 -4.135 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.693 -7.170 -3.954 1.00 1.00 H new ATOM 0 HG LEU A 30 63.146 -6.587 -1.603 1.00 1.00 H new ATOM 0 HD11 LEU A 30 65.402 -6.942 -0.656 1.00 1.00 H new ATOM 0 HD12 LEU A 30 64.644 -8.494 -1.087 1.00 1.00 H new ATOM 0 HD13 LEU A 30 65.896 -7.791 -2.139 1.00 1.00 H new ATOM 0 HD21 LEU A 30 64.934 -4.900 -2.035 1.00 1.00 H new ATOM 0 HD22 LEU A 30 65.415 -5.787 -3.501 1.00 1.00 H new ATOM 0 HD23 LEU A 30 63.820 -5.003 -3.419 1.00 1.00 H new ATOM 523 N SER A 31 60.988 -8.301 -1.777 1.00 1.00 N ATOM 524 CA SER A 31 59.964 -8.218 -0.725 1.00 1.00 C ATOM 525 C SER A 31 59.448 -6.794 -0.657 1.00 1.00 C ATOM 526 O SER A 31 59.931 -5.943 -1.391 1.00 1.00 O ATOM 527 CB SER A 31 60.441 -8.678 0.656 1.00 1.00 C ATOM 528 OG SER A 31 61.682 -8.075 0.939 1.00 1.00 O ATOM 0 H SER A 31 60.752 -7.753 -2.604 1.00 1.00 H new ATOM 0 HA SER A 31 59.169 -8.912 -1.000 1.00 1.00 H new ATOM 0 HB2 SER A 31 59.709 -8.406 1.416 1.00 1.00 H new ATOM 0 HB3 SER A 31 60.536 -9.764 0.679 1.00 1.00 H new ATOM 0 HG SER A 31 62.400 -8.730 0.813 1.00 1.00 H new ATOM 534 N ASP A 32 58.472 -6.533 0.201 1.00 1.00 N ATOM 535 CA ASP A 32 57.927 -5.175 0.292 1.00 1.00 C ATOM 536 C ASP A 32 58.788 -4.171 1.104 1.00 1.00 C ATOM 537 O ASP A 32 59.159 -3.123 0.574 1.00 1.00 O ATOM 538 CB ASP A 32 56.551 -5.292 0.944 1.00 1.00 C ATOM 539 CG ASP A 32 55.895 -3.921 1.088 1.00 1.00 C ATOM 540 OD1 ASP A 32 56.356 -3.150 1.913 1.00 1.00 O ATOM 541 OD2 ASP A 32 54.941 -3.667 0.373 1.00 1.00 O ATOM 0 H ASP A 32 58.048 -7.216 0.829 1.00 1.00 H new ATOM 0 HA ASP A 32 57.898 -4.770 -0.719 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.915 -5.942 0.344 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.648 -5.758 1.925 1.00 1.00 H new ATOM 546 N ASP A 33 58.955 -4.392 2.423 1.00 1.00 N ATOM 547 CA ASP A 33 59.597 -3.358 3.270 1.00 1.00 C ATOM 548 C ASP A 33 60.992 -2.997 2.752 1.00 1.00 C ATOM 549 O ASP A 33 61.516 -1.892 2.873 1.00 1.00 O ATOM 550 CB ASP A 33 59.723 -3.879 4.702 1.00 1.00 C ATOM 551 CG ASP A 33 60.223 -2.768 5.617 1.00 1.00 C ATOM 552 OD1 ASP A 33 61.416 -2.511 5.606 1.00 1.00 O ATOM 553 OD2 ASP A 33 59.407 -2.192 6.316 1.00 1.00 O ATOM 0 H ASP A 33 58.669 -5.240 2.913 1.00 1.00 H new ATOM 0 HA ASP A 33 58.973 -2.465 3.240 1.00 1.00 H new ATOM 0 HB2 ASP A 33 58.757 -4.243 5.052 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.411 -4.724 4.732 1.00 1.00 H new ATOM 558 N GLU A 34 61.540 -4.069 2.223 1.00 1.00 N ATOM 559 CA GLU A 34 62.894 -4.083 1.680 1.00 1.00 C ATOM 560 C GLU A 34 62.983 -2.988 0.627 1.00 1.00 C ATOM 561 O GLU A 34 63.944 -2.226 0.604 1.00 1.00 O ATOM 562 CB GLU A 34 63.269 -5.470 1.100 1.00 1.00 C ATOM 563 CG GLU A 34 63.628 -6.469 2.239 1.00 1.00 C ATOM 564 CD GLU A 34 64.460 -7.637 1.700 1.00 1.00 C ATOM 565 OE1 GLU A 34 65.653 -7.450 1.523 1.00 1.00 O ATOM 566 OE2 GLU A 34 63.903 -8.699 1.487 1.00 1.00 O ATOM 0 H GLU A 34 61.060 -4.966 2.154 1.00 1.00 H new ATOM 0 HA GLU A 34 63.614 -3.893 2.476 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.436 -5.862 0.516 1.00 1.00 H new ATOM 0 HB3 GLU A 34 64.115 -5.368 0.420 1.00 1.00 H new ATOM 0 HG2 GLU A 34 64.184 -5.951 3.020 1.00 1.00 H new ATOM 0 HG3 GLU A 34 62.714 -6.849 2.696 1.00 1.00 H new ATOM 573 N LEU A 35 62.024 -2.953 -0.282 1.00 1.00 N ATOM 574 CA LEU A 35 62.068 -1.999 -1.377 1.00 1.00 C ATOM 575 C LEU A 35 62.505 -0.594 -0.921 1.00 1.00 C ATOM 576 O LEU A 35 62.934 0.201 -1.757 1.00 1.00 O ATOM 577 CB LEU A 35 60.683 -1.886 -2.047 1.00 1.00 C ATOM 578 CG LEU A 35 60.151 -3.240 -2.669 1.00 1.00 C ATOM 579 CD1 LEU A 35 59.325 -2.962 -3.933 1.00 1.00 C ATOM 580 CD2 LEU A 35 61.269 -4.220 -3.079 1.00 1.00 C ATOM 0 H LEU A 35 61.211 -3.569 -0.284 1.00 1.00 H new ATOM 0 HA LEU A 35 62.808 -2.376 -2.083 1.00 1.00 H new ATOM 0 HB2 LEU A 35 59.963 -1.530 -1.310 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.733 -1.133 -2.833 1.00 1.00 H new ATOM 0 HG LEU A 35 59.556 -3.696 -1.878 1.00 1.00 H new ATOM 0 HD11 LEU A 35 58.967 -3.904 -4.348 1.00 1.00 H new ATOM 0 HD12 LEU A 35 58.474 -2.330 -3.680 1.00 1.00 H new ATOM 0 HD13 LEU A 35 59.947 -2.454 -4.670 1.00 1.00 H new ATOM 0 HD21 LEU A 35 60.825 -5.124 -3.497 1.00 1.00 H new ATOM 0 HD22 LEU A 35 61.908 -3.751 -3.827 1.00 1.00 H new ATOM 0 HD23 LEU A 35 61.865 -4.479 -2.204 1.00 1.00 H new ATOM 592 N GLU A 36 62.419 -0.266 0.380 1.00 1.00 N ATOM 593 CA GLU A 36 62.850 1.074 0.805 1.00 1.00 C ATOM 594 C GLU A 36 64.320 1.234 0.392 1.00 1.00 C ATOM 595 O GLU A 36 64.789 2.284 -0.014 1.00 1.00 O ATOM 596 CB GLU A 36 62.697 1.243 2.321 1.00 1.00 C ATOM 597 CG GLU A 36 61.212 1.282 2.698 1.00 1.00 C ATOM 598 CD GLU A 36 61.059 1.605 4.179 1.00 1.00 C ATOM 599 OE1 GLU A 36 62.000 1.369 4.919 1.00 1.00 O ATOM 600 OE2 GLU A 36 60.001 2.084 4.553 1.00 1.00 O ATOM 0 H GLU A 36 62.073 -0.876 1.121 1.00 1.00 H new ATOM 0 HA GLU A 36 62.232 1.837 0.333 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.190 0.420 2.838 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.187 2.162 2.644 1.00 1.00 H new ATOM 0 HG2 GLU A 36 60.696 2.032 2.099 1.00 1.00 H new ATOM 0 HG3 GLU A 36 60.747 0.321 2.477 1.00 1.00 H new ATOM 607 N LEU A 37 64.999 0.103 0.524 1.00 1.00 N ATOM 608 CA LEU A 37 66.417 0.005 0.164 1.00 1.00 C ATOM 609 C LEU A 37 66.538 0.408 -1.313 1.00 1.00 C ATOM 610 O LEU A 37 67.301 1.302 -1.668 1.00 1.00 O ATOM 611 CB LEU A 37 66.913 -1.455 0.324 1.00 1.00 C ATOM 612 CG LEU A 37 67.095 -1.832 1.825 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.021 -3.359 1.997 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.469 -1.365 2.348 1.00 1.00 C ATOM 0 H LEU A 37 64.595 -0.764 0.878 1.00 1.00 H new ATOM 0 HA LEU A 37 67.015 0.649 0.809 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.200 -2.136 -0.140 1.00 1.00 H new ATOM 0 HB3 LEU A 37 67.860 -1.579 -0.201 1.00 1.00 H new ATOM 0 HG LEU A 37 66.300 -1.341 2.386 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.149 -3.613 3.049 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.051 -3.717 1.653 1.00 1.00 H new ATOM 0 HD13 LEU A 37 67.810 -3.830 1.411 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.571 -1.640 3.398 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.260 -1.842 1.769 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.548 -0.283 2.247 1.00 1.00 H new ATOM 626 N PHE A 38 65.792 -0.290 -2.154 1.00 1.00 N ATOM 627 CA PHE A 38 65.789 -0.085 -3.605 1.00 1.00 C ATOM 628 C PHE A 38 65.323 1.331 -3.998 1.00 1.00 C ATOM 629 O PHE A 38 65.838 1.927 -4.927 1.00 1.00 O ATOM 630 CB PHE A 38 64.852 -1.184 -4.233 1.00 1.00 C ATOM 631 CG PHE A 38 65.528 -1.950 -5.350 1.00 1.00 C ATOM 632 CD1 PHE A 38 66.504 -2.892 -5.027 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.170 -1.732 -6.681 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.136 -3.619 -6.033 1.00 1.00 C ATOM 635 CE2 PHE A 38 65.795 -2.454 -7.699 1.00 1.00 C ATOM 636 CZ PHE A 38 66.783 -3.402 -7.379 1.00 1.00 C ATOM 0 H PHE A 38 65.159 -1.029 -1.849 1.00 1.00 H new ATOM 0 HA PHE A 38 66.806 -0.177 -3.987 1.00 1.00 H new ATOM 0 HB2 PHE A 38 64.542 -1.881 -3.454 1.00 1.00 H new ATOM 0 HB3 PHE A 38 63.948 -0.711 -4.616 1.00 1.00 H new ATOM 0 HD1 PHE A 38 66.771 -3.058 -3.994 1.00 1.00 H new ATOM 0 HD2 PHE A 38 64.409 -1.005 -6.923 1.00 1.00 H new ATOM 0 HE1 PHE A 38 67.894 -4.346 -5.782 1.00 1.00 H new ATOM 0 HE2 PHE A 38 65.520 -2.285 -8.730 1.00 1.00 H new ATOM 0 HZ PHE A 38 67.270 -3.962 -8.163 1.00 1.00 H new ATOM 646 N TYR A 39 64.397 1.868 -3.222 1.00 1.00 N ATOM 647 CA TYR A 39 63.930 3.255 -3.453 1.00 1.00 C ATOM 648 C TYR A 39 64.937 4.244 -2.866 1.00 1.00 C ATOM 649 O TYR A 39 65.446 5.121 -3.567 1.00 1.00 O ATOM 650 CB TYR A 39 62.504 3.478 -2.942 1.00 1.00 C ATOM 651 CG TYR A 39 61.523 2.890 -3.941 1.00 1.00 C ATOM 652 CD1 TYR A 39 61.415 3.457 -5.220 1.00 1.00 C ATOM 653 CD2 TYR A 39 60.740 1.775 -3.603 1.00 1.00 C ATOM 654 CE1 TYR A 39 60.524 2.910 -6.155 1.00 1.00 C ATOM 655 CE2 TYR A 39 59.854 1.231 -4.539 1.00 1.00 C ATOM 656 CZ TYR A 39 59.745 1.798 -5.814 1.00 1.00 C ATOM 657 OH TYR A 39 58.869 1.261 -6.735 1.00 1.00 O ATOM 0 H TYR A 39 63.952 1.390 -2.439 1.00 1.00 H new ATOM 0 HA TYR A 39 63.878 3.431 -4.527 1.00 1.00 H new ATOM 0 HB2 TYR A 39 62.376 3.008 -1.967 1.00 1.00 H new ATOM 0 HB3 TYR A 39 62.314 4.543 -2.810 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.017 4.314 -5.484 1.00 1.00 H new ATOM 0 HD2 TYR A 39 60.822 1.337 -2.619 1.00 1.00 H new ATOM 0 HE1 TYR A 39 60.439 3.347 -7.139 1.00 1.00 H new ATOM 0 HE2 TYR A 39 59.253 0.372 -4.277 1.00 1.00 H new ATOM 0 HH TYR A 39 58.407 0.493 -6.338 1.00 1.00 H new ATOM 667 N SER A 40 65.226 4.101 -1.605 1.00 1.00 N ATOM 668 CA SER A 40 66.176 4.981 -0.947 1.00 1.00 C ATOM 669 C SER A 40 67.541 4.948 -1.645 1.00 1.00 C ATOM 670 O SER A 40 68.245 5.957 -1.698 1.00 1.00 O ATOM 671 CB SER A 40 66.334 4.531 0.503 1.00 1.00 C ATOM 672 OG SER A 40 67.055 5.518 1.231 1.00 1.00 O ATOM 0 H SER A 40 64.822 3.385 -1.002 1.00 1.00 H new ATOM 0 HA SER A 40 65.800 6.003 -0.993 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.355 4.374 0.955 1.00 1.00 H new ATOM 0 HB3 SER A 40 66.860 3.577 0.544 1.00 1.00 H new ATOM 0 HG SER A 40 67.155 5.230 2.162 1.00 1.00 H new ATOM 678 N ALA A 41 67.918 3.766 -2.160 1.00 1.00 N ATOM 679 CA ALA A 41 69.234 3.623 -2.836 1.00 1.00 C ATOM 680 C ALA A 41 69.176 4.174 -4.265 1.00 1.00 C ATOM 681 O ALA A 41 69.968 5.035 -4.649 1.00 1.00 O ATOM 682 CB ALA A 41 69.671 2.157 -2.863 1.00 1.00 C ATOM 0 H ALA A 41 67.356 2.915 -2.128 1.00 1.00 H new ATOM 0 HA ALA A 41 69.965 4.199 -2.268 1.00 1.00 H new ATOM 0 HB1 ALA A 41 70.636 2.074 -3.362 1.00 1.00 H new ATOM 0 HB2 ALA A 41 69.757 1.784 -1.842 1.00 1.00 H new ATOM 0 HB3 ALA A 41 68.931 1.567 -3.404 1.00 1.00 H new ATOM 688 N ALA A 42 68.288 3.597 -5.066 1.00 1.00 N ATOM 689 CA ALA A 42 68.177 3.944 -6.484 1.00 1.00 C ATOM 690 C ALA A 42 68.061 5.443 -6.757 1.00 1.00 C ATOM 691 O ALA A 42 68.554 5.928 -7.767 1.00 1.00 O ATOM 692 CB ALA A 42 66.920 3.292 -7.056 1.00 1.00 C ATOM 0 H ALA A 42 67.629 2.882 -4.758 1.00 1.00 H new ATOM 0 HA ALA A 42 69.097 3.590 -6.948 1.00 1.00 H new ATOM 0 HB1 ALA A 42 66.828 3.544 -8.112 1.00 1.00 H new ATOM 0 HB2 ALA A 42 66.989 2.210 -6.946 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.044 3.656 -6.518 1.00 1.00 H new ATOM 698 N ASP A 43 67.380 6.185 -5.888 1.00 1.00 N ATOM 699 CA ASP A 43 67.211 7.621 -6.127 1.00 1.00 C ATOM 700 C ASP A 43 68.577 8.263 -6.355 1.00 1.00 C ATOM 701 O ASP A 43 68.761 9.012 -7.292 1.00 1.00 O ATOM 702 CB ASP A 43 66.484 8.285 -4.941 1.00 1.00 C ATOM 703 CG ASP A 43 65.861 9.617 -5.366 1.00 1.00 C ATOM 704 OD1 ASP A 43 66.298 10.157 -6.369 1.00 1.00 O ATOM 705 OD2 ASP A 43 64.956 10.073 -4.682 1.00 1.00 O ATOM 0 H ASP A 43 66.946 5.832 -5.035 1.00 1.00 H new ATOM 0 HA ASP A 43 66.599 7.767 -7.017 1.00 1.00 H new ATOM 0 HB2 ASP A 43 65.708 7.619 -4.564 1.00 1.00 H new ATOM 0 HB3 ASP A 43 67.186 8.450 -4.124 1.00 1.00 H new ATOM 710 N HIS A 44 69.491 7.976 -5.438 1.00 1.00 N ATOM 711 CA HIS A 44 70.845 8.548 -5.470 1.00 1.00 C ATOM 712 C HIS A 44 71.402 8.547 -6.905 1.00 1.00 C ATOM 713 O HIS A 44 72.024 9.511 -7.348 1.00 1.00 O ATOM 714 CB HIS A 44 71.760 7.696 -4.598 1.00 1.00 C ATOM 715 CG HIS A 44 71.204 7.584 -3.206 1.00 1.00 C ATOM 716 ND1 HIS A 44 71.393 6.450 -2.434 1.00 1.00 N ATOM 717 CD2 HIS A 44 70.469 8.446 -2.433 1.00 1.00 C ATOM 718 CE1 HIS A 44 70.784 6.657 -1.254 1.00 1.00 C ATOM 719 NE2 HIS A 44 70.205 7.859 -1.200 1.00 1.00 N ATOM 0 H HIS A 44 69.324 7.346 -4.653 1.00 1.00 H new ATOM 0 HA HIS A 44 70.800 9.574 -5.104 1.00 1.00 H new ATOM 0 HB2 HIS A 44 71.867 6.703 -5.034 1.00 1.00 H new ATOM 0 HB3 HIS A 44 72.756 8.138 -4.564 1.00 1.00 H new ATOM 0 HD2 HIS A 44 70.145 9.431 -2.736 1.00 1.00 H new ATOM 0 HE1 HIS A 44 70.765 5.939 -0.448 1.00 1.00 H new ATOM 0 HE2 HIS A 44 69.682 8.260 -0.422 1.00 1.00 H new ATOM 728 N ARG A 45 71.156 7.457 -7.608 1.00 1.00 N ATOM 729 CA ARG A 45 71.593 7.266 -8.995 1.00 1.00 C ATOM 730 C ARG A 45 70.836 8.192 -9.989 1.00 1.00 C ATOM 731 O ARG A 45 71.223 8.332 -11.137 1.00 1.00 O ATOM 732 CB ARG A 45 71.393 5.779 -9.366 1.00 1.00 C ATOM 733 CG ARG A 45 71.740 5.501 -10.846 1.00 1.00 C ATOM 734 CD ARG A 45 73.160 5.998 -11.238 1.00 1.00 C ATOM 735 NE ARG A 45 73.555 5.412 -12.509 1.00 1.00 N ATOM 736 CZ ARG A 45 74.746 5.669 -13.034 1.00 1.00 C ATOM 737 NH1 ARG A 45 75.605 6.391 -12.370 1.00 1.00 N ATOM 738 NH2 ARG A 45 75.069 5.174 -14.198 1.00 1.00 N ATOM 0 H ARG A 45 70.639 6.662 -7.233 1.00 1.00 H new ATOM 0 HA ARG A 45 72.646 7.538 -9.072 1.00 1.00 H new ATOM 0 HB2 ARG A 45 72.018 5.158 -8.724 1.00 1.00 H new ATOM 0 HB3 ARG A 45 70.358 5.494 -9.176 1.00 1.00 H new ATOM 0 HG2 ARG A 45 71.670 4.430 -11.035 1.00 1.00 H new ATOM 0 HG3 ARG A 45 71.002 5.986 -11.484 1.00 1.00 H new ATOM 0 HD2 ARG A 45 73.167 7.086 -11.311 1.00 1.00 H new ATOM 0 HD3 ARG A 45 73.877 5.726 -10.463 1.00 1.00 H new ATOM 0 HE ARG A 45 72.909 4.796 -13.003 1.00 1.00 H new ATOM 0 HH11 ARG A 45 75.361 6.756 -11.450 1.00 1.00 H new ATOM 0 HH12 ARG A 45 76.521 6.590 -12.771 1.00 1.00 H new ATOM 0 HH21 ARG A 45 74.405 4.589 -14.705 1.00 1.00 H new ATOM 0 HH22 ARG A 45 75.985 5.373 -14.600 1.00 1.00 H new ATOM 752 N LEU A 46 69.747 8.814 -9.553 1.00 1.00 N ATOM 753 CA LEU A 46 68.967 9.707 -10.444 1.00 1.00 C ATOM 754 C LEU A 46 69.612 11.113 -10.646 1.00 1.00 C ATOM 755 O LEU A 46 69.748 11.567 -11.783 1.00 1.00 O ATOM 756 CB LEU A 46 67.528 9.823 -9.890 1.00 1.00 C ATOM 757 CG LEU A 46 66.565 10.556 -10.904 1.00 1.00 C ATOM 758 CD1 LEU A 46 65.143 9.962 -10.839 1.00 1.00 C ATOM 759 CD2 LEU A 46 66.459 12.060 -10.582 1.00 1.00 C ATOM 0 H LEU A 46 69.377 8.728 -8.606 1.00 1.00 H new ATOM 0 HA LEU A 46 68.957 9.259 -11.438 1.00 1.00 H new ATOM 0 HB2 LEU A 46 67.140 8.827 -9.676 1.00 1.00 H new ATOM 0 HB3 LEU A 46 67.545 10.368 -8.946 1.00 1.00 H new ATOM 0 HG LEU A 46 66.989 10.416 -11.898 1.00 1.00 H new ATOM 0 HD11 LEU A 46 64.498 10.483 -11.546 1.00 1.00 H new ATOM 0 HD12 LEU A 46 65.179 8.903 -11.094 1.00 1.00 H new ATOM 0 HD13 LEU A 46 64.745 10.080 -9.831 1.00 1.00 H new ATOM 0 HD21 LEU A 46 65.789 12.539 -11.297 1.00 1.00 H new ATOM 0 HD22 LEU A 46 66.066 12.189 -9.574 1.00 1.00 H new ATOM 0 HD23 LEU A 46 67.447 12.517 -10.648 1.00 1.00 H new ATOM 771 N ALA A 47 69.969 11.814 -9.555 1.00 1.00 N ATOM 772 CA ALA A 47 70.552 13.185 -9.654 1.00 1.00 C ATOM 773 C ALA A 47 71.845 13.202 -10.496 1.00 1.00 C ATOM 774 O ALA A 47 72.094 14.108 -11.290 1.00 1.00 O ATOM 775 CB ALA A 47 70.859 13.717 -8.251 1.00 1.00 C ATOM 0 H ALA A 47 69.870 11.468 -8.601 1.00 1.00 H new ATOM 0 HA ALA A 47 69.817 13.820 -10.149 1.00 1.00 H new ATOM 0 HB1 ALA A 47 71.284 14.718 -8.326 1.00 1.00 H new ATOM 0 HB2 ALA A 47 69.939 13.757 -7.668 1.00 1.00 H new ATOM 0 HB3 ALA A 47 71.572 13.056 -7.759 1.00 1.00 H new ATOM 781 N GLU A 48 72.611 12.148 -10.326 1.00 1.00 N ATOM 782 CA GLU A 48 73.843 12.003 -11.110 1.00 1.00 C ATOM 783 C GLU A 48 73.417 11.927 -12.589 1.00 1.00 C ATOM 784 O GLU A 48 73.897 12.695 -13.424 1.00 1.00 O ATOM 785 CB GLU A 48 74.736 10.819 -10.627 1.00 1.00 C ATOM 786 CG GLU A 48 74.351 9.494 -11.268 1.00 1.00 C ATOM 787 CD GLU A 48 74.849 9.411 -12.715 1.00 1.00 C ATOM 788 OE1 GLU A 48 75.460 10.362 -13.168 1.00 1.00 O ATOM 789 OE2 GLU A 48 74.617 8.395 -13.344 1.00 1.00 O ATOM 0 H GLU A 48 72.420 11.389 -9.672 1.00 1.00 H new ATOM 0 HA GLU A 48 74.500 12.861 -10.970 1.00 1.00 H new ATOM 0 HB2 GLU A 48 75.779 11.039 -10.855 1.00 1.00 H new ATOM 0 HB3 GLU A 48 74.659 10.730 -9.543 1.00 1.00 H new ATOM 0 HG2 GLU A 48 74.771 8.672 -10.689 1.00 1.00 H new ATOM 0 HG3 GLU A 48 73.267 9.378 -11.247 1.00 1.00 H new ATOM 796 N LEU A 49 72.517 11.001 -12.894 1.00 1.00 N ATOM 797 CA LEU A 49 72.011 10.809 -14.253 1.00 1.00 C ATOM 798 C LEU A 49 71.409 12.103 -14.803 1.00 1.00 C ATOM 799 O LEU A 49 71.533 12.396 -15.992 1.00 1.00 O ATOM 800 CB LEU A 49 70.919 9.706 -14.225 1.00 1.00 C ATOM 801 CG LEU A 49 71.560 8.290 -14.120 1.00 1.00 C ATOM 802 CD1 LEU A 49 70.458 7.255 -13.853 1.00 1.00 C ATOM 803 CD2 LEU A 49 72.329 7.913 -15.432 1.00 1.00 C ATOM 0 H LEU A 49 72.116 10.361 -12.209 1.00 1.00 H new ATOM 0 HA LEU A 49 72.838 10.515 -14.900 1.00 1.00 H new ATOM 0 HB2 LEU A 49 70.252 9.871 -13.379 1.00 1.00 H new ATOM 0 HB3 LEU A 49 70.311 9.768 -15.127 1.00 1.00 H new ATOM 0 HG LEU A 49 72.277 8.297 -13.299 1.00 1.00 H new ATOM 0 HD11 LEU A 49 70.902 6.262 -13.779 1.00 1.00 H new ATOM 0 HD12 LEU A 49 69.951 7.497 -12.919 1.00 1.00 H new ATOM 0 HD13 LEU A 49 69.738 7.270 -14.671 1.00 1.00 H new ATOM 0 HD21 LEU A 49 72.764 6.919 -15.326 1.00 1.00 H new ATOM 0 HD22 LEU A 49 71.637 7.918 -16.274 1.00 1.00 H new ATOM 0 HD23 LEU A 49 73.122 8.639 -15.610 1.00 1.00 H new ATOM 815 N THR A 50 70.743 12.863 -13.939 1.00 1.00 N ATOM 816 CA THR A 50 70.110 14.111 -14.368 1.00 1.00 C ATOM 817 C THR A 50 71.155 14.987 -15.056 1.00 1.00 C ATOM 818 O THR A 50 70.857 15.657 -16.045 1.00 1.00 O ATOM 819 CB THR A 50 69.459 14.805 -13.156 1.00 1.00 C ATOM 820 OG1 THR A 50 68.531 13.906 -12.565 1.00 1.00 O ATOM 821 CG2 THR A 50 68.709 16.104 -13.548 1.00 1.00 C ATOM 0 H THR A 50 70.627 12.643 -12.950 1.00 1.00 H new ATOM 0 HA THR A 50 69.316 13.915 -15.088 1.00 1.00 H new ATOM 0 HB THR A 50 70.254 15.078 -12.462 1.00 1.00 H new ATOM 0 HG1 THR A 50 69.015 13.157 -12.158 1.00 1.00 H new ATOM 0 HG21 THR A 50 68.269 16.553 -12.658 1.00 1.00 H new ATOM 0 HG22 THR A 50 69.409 16.806 -14.000 1.00 1.00 H new ATOM 0 HG23 THR A 50 67.920 15.867 -14.262 1.00 1.00 H new ATOM 829 N MET A 51 72.400 14.915 -14.580 1.00 1.00 N ATOM 830 CA MET A 51 73.524 15.634 -15.204 1.00 1.00 C ATOM 831 C MET A 51 74.321 14.557 -15.958 1.00 1.00 C ATOM 832 O MET A 51 73.840 14.069 -16.978 1.00 1.00 O ATOM 833 CB MET A 51 74.389 16.407 -14.143 1.00 1.00 C ATOM 834 CG MET A 51 74.088 15.952 -12.708 1.00 1.00 C ATOM 835 SD MET A 51 74.886 17.114 -11.570 1.00 1.00 S ATOM 836 CE MET A 51 76.608 16.785 -12.029 1.00 1.00 C ATOM 0 H MET A 51 72.661 14.365 -13.761 1.00 1.00 H new ATOM 0 HA MET A 51 73.182 16.414 -15.884 1.00 1.00 H new ATOM 0 HB2 MET A 51 75.447 16.253 -14.357 1.00 1.00 H new ATOM 0 HB3 MET A 51 74.198 17.477 -14.231 1.00 1.00 H new ATOM 0 HG2 MET A 51 73.012 15.927 -12.534 1.00 1.00 H new ATOM 0 HG3 MET A 51 74.461 14.941 -12.543 1.00 1.00 H new ATOM 0 HE1 MET A 51 77.262 17.036 -11.194 1.00 1.00 H new ATOM 0 HE2 MET A 51 76.723 15.730 -12.276 1.00 1.00 H new ATOM 0 HE3 MET A 51 76.876 17.391 -12.894 1.00 1.00 H new ATOM 846 N ASN A 52 75.472 14.122 -15.426 1.00 1.00 N ATOM 847 CA ASN A 52 76.218 13.035 -16.064 1.00 1.00 C ATOM 848 C ASN A 52 77.503 12.690 -15.288 1.00 1.00 C ATOM 849 O ASN A 52 78.477 12.233 -15.886 1.00 1.00 O ATOM 850 CB ASN A 52 76.559 13.377 -17.537 1.00 1.00 C ATOM 851 CG ASN A 52 77.045 14.823 -17.638 1.00 1.00 C ATOM 852 OD1 ASN A 52 76.423 15.728 -17.083 1.00 1.00 O ATOM 853 ND2 ASN A 52 78.125 15.095 -18.321 1.00 1.00 N ATOM 0 H ASN A 52 75.896 14.496 -14.577 1.00 1.00 H new ATOM 0 HA ASN A 52 75.571 12.158 -16.051 1.00 1.00 H new ATOM 0 HB2 ASN A 52 77.328 12.699 -17.908 1.00 1.00 H new ATOM 0 HB3 ASN A 52 75.679 13.235 -18.165 1.00 1.00 H new ATOM 0 HD21 ASN A 52 78.453 16.058 -18.394 1.00 1.00 H new ATOM 0 HD22 ASN A 52 78.640 14.344 -18.781 1.00 1.00 H new ATOM 860 N LYS A 53 77.516 12.900 -13.954 1.00 1.00 N ATOM 861 CA LYS A 53 78.710 12.593 -13.126 1.00 1.00 C ATOM 862 C LYS A 53 78.379 11.513 -12.098 1.00 1.00 C ATOM 863 O LYS A 53 77.713 10.532 -12.417 1.00 1.00 O ATOM 864 CB LYS A 53 79.226 13.856 -12.420 1.00 1.00 C ATOM 865 CG LYS A 53 79.499 14.960 -13.456 1.00 1.00 C ATOM 866 CD LYS A 53 80.297 16.112 -12.812 1.00 1.00 C ATOM 867 CE LYS A 53 80.718 17.102 -13.897 1.00 1.00 C ATOM 868 NZ LYS A 53 81.292 18.319 -13.257 1.00 1.00 N ATOM 0 H LYS A 53 76.726 13.276 -13.430 1.00 1.00 H new ATOM 0 HA LYS A 53 79.495 12.224 -13.786 1.00 1.00 H new ATOM 0 HB2 LYS A 53 78.492 14.202 -11.692 1.00 1.00 H new ATOM 0 HB3 LYS A 53 80.139 13.628 -11.869 1.00 1.00 H new ATOM 0 HG2 LYS A 53 80.056 14.549 -14.298 1.00 1.00 H new ATOM 0 HG3 LYS A 53 78.556 15.338 -13.852 1.00 1.00 H new ATOM 0 HD2 LYS A 53 79.689 16.615 -12.060 1.00 1.00 H new ATOM 0 HD3 LYS A 53 81.176 15.720 -12.301 1.00 1.00 H new ATOM 0 HE2 LYS A 53 81.453 16.644 -14.558 1.00 1.00 H new ATOM 0 HE3 LYS A 53 79.860 17.371 -14.513 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 81.580 18.995 -13.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 80.577 18.759 -12.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 82.121 18.054 -12.688 1.00 1.00 H new ATOM 882 N LEU A 54 78.903 11.656 -10.880 1.00 1.00 N ATOM 883 CA LEU A 54 78.714 10.653 -9.822 1.00 1.00 C ATOM 884 C LEU A 54 78.327 11.312 -8.500 1.00 1.00 C ATOM 885 O LEU A 54 79.182 11.924 -7.860 1.00 1.00 O ATOM 886 CB LEU A 54 80.072 9.946 -9.649 1.00 1.00 C ATOM 887 CG LEU A 54 80.100 9.042 -8.395 1.00 1.00 C ATOM 888 CD1 LEU A 54 78.852 8.147 -8.349 1.00 1.00 C ATOM 889 CD2 LEU A 54 81.357 8.163 -8.438 1.00 1.00 C ATOM 0 H LEU A 54 79.465 12.459 -10.597 1.00 1.00 H new ATOM 0 HA LEU A 54 77.916 9.962 -10.094 1.00 1.00 H new ATOM 0 HB2 LEU A 54 80.283 9.345 -10.534 1.00 1.00 H new ATOM 0 HB3 LEU A 54 80.862 10.693 -9.575 1.00 1.00 H new ATOM 0 HG LEU A 54 80.112 9.670 -7.504 1.00 1.00 H new ATOM 0 HD11 LEU A 54 78.888 7.517 -7.460 1.00 1.00 H new ATOM 0 HD12 LEU A 54 77.958 8.770 -8.316 1.00 1.00 H new ATOM 0 HD13 LEU A 54 78.823 7.518 -9.238 1.00 1.00 H new ATOM 0 HD21 LEU A 54 81.383 7.523 -7.556 1.00 1.00 H new ATOM 0 HD22 LEU A 54 81.338 7.545 -9.335 1.00 1.00 H new ATOM 0 HD23 LEU A 54 82.244 8.797 -8.453 1.00 1.00 H new ATOM 901 N TYR A 55 77.064 11.183 -8.048 1.00 1.00 N ATOM 902 CA TYR A 55 76.675 11.785 -6.749 1.00 1.00 C ATOM 903 C TYR A 55 77.105 10.778 -5.673 1.00 1.00 C ATOM 904 O TYR A 55 78.089 10.101 -5.932 1.00 1.00 O ATOM 905 CB TYR A 55 75.164 12.119 -6.736 1.00 1.00 C ATOM 906 CG TYR A 55 74.898 13.490 -7.362 1.00 1.00 C ATOM 907 CD1 TYR A 55 75.735 14.015 -8.364 1.00 1.00 C ATOM 908 CD2 TYR A 55 73.814 14.255 -6.908 1.00 1.00 C ATOM 909 CE1 TYR A 55 75.485 15.278 -8.894 1.00 1.00 C ATOM 910 CE2 TYR A 55 73.572 15.527 -7.438 1.00 1.00 C ATOM 911 CZ TYR A 55 74.408 16.040 -8.430 1.00 1.00 C ATOM 912 OH TYR A 55 74.174 17.300 -8.943 1.00 1.00 O ATOM 0 H TYR A 55 76.318 10.688 -8.538 1.00 1.00 H new ATOM 0 HA TYR A 55 77.165 12.740 -6.561 1.00 1.00 H new ATOM 0 HB2 TYR A 55 74.614 11.353 -7.283 1.00 1.00 H new ATOM 0 HB3 TYR A 55 74.794 12.106 -5.711 1.00 1.00 H new ATOM 0 HD1 TYR A 55 76.574 13.437 -8.723 1.00 1.00 H new ATOM 0 HD2 TYR A 55 73.161 13.859 -6.144 1.00 1.00 H new ATOM 0 HE1 TYR A 55 76.127 15.672 -9.668 1.00 1.00 H new ATOM 0 HE2 TYR A 55 72.738 16.112 -7.079 1.00 1.00 H new ATOM 0 HH TYR A 55 74.394 17.310 -9.898 1.00 1.00 H new ATOM 922 N ASP A 56 76.384 10.651 -4.526 1.00 1.00 N ATOM 923 CA ASP A 56 76.727 9.666 -3.455 1.00 1.00 C ATOM 924 C ASP A 56 76.338 10.186 -2.052 1.00 1.00 C ATOM 925 O ASP A 56 77.201 10.380 -1.205 1.00 1.00 O ATOM 926 CB ASP A 56 78.238 9.238 -3.473 1.00 1.00 C ATOM 927 CG ASP A 56 78.662 8.492 -2.200 1.00 1.00 C ATOM 928 OD1 ASP A 56 77.809 7.873 -1.586 1.00 1.00 O ATOM 929 OD2 ASP A 56 79.833 8.556 -1.863 1.00 1.00 O ATOM 0 H ASP A 56 75.562 11.217 -4.317 1.00 1.00 H new ATOM 0 HA ASP A 56 76.136 8.777 -3.676 1.00 1.00 H new ATOM 0 HB2 ASP A 56 78.420 8.601 -4.339 1.00 1.00 H new ATOM 0 HB3 ASP A 56 78.860 10.125 -3.593 1.00 1.00 H new ATOM 934 N LYS A 57 75.029 10.355 -1.822 1.00 1.00 N ATOM 935 CA LYS A 57 74.385 10.768 -0.554 1.00 1.00 C ATOM 936 C LYS A 57 73.549 11.975 -0.966 1.00 1.00 C ATOM 937 O LYS A 57 74.180 12.975 -1.313 1.00 1.00 O ATOM 938 CB LYS A 57 75.349 11.149 0.601 1.00 1.00 C ATOM 939 CG LYS A 57 75.953 9.878 1.260 1.00 1.00 C ATOM 940 CD LYS A 57 77.243 10.237 2.012 1.00 1.00 C ATOM 941 CE LYS A 57 77.708 9.035 2.835 1.00 1.00 C ATOM 942 NZ LYS A 57 78.861 9.427 3.697 1.00 1.00 N ATOM 0 H LYS A 57 74.342 10.199 -2.560 1.00 1.00 H new ATOM 0 HA LYS A 57 73.825 9.933 -0.133 1.00 1.00 H new ATOM 0 HB2 LYS A 57 76.150 11.781 0.218 1.00 1.00 H new ATOM 0 HB3 LYS A 57 74.813 11.732 1.350 1.00 1.00 H new ATOM 0 HG2 LYS A 57 75.232 9.438 1.949 1.00 1.00 H new ATOM 0 HG3 LYS A 57 76.164 9.128 0.497 1.00 1.00 H new ATOM 0 HD2 LYS A 57 78.019 10.528 1.305 1.00 1.00 H new ATOM 0 HD3 LYS A 57 77.069 11.092 2.665 1.00 1.00 H new ATOM 0 HE2 LYS A 57 76.889 8.667 3.453 1.00 1.00 H new ATOM 0 HE3 LYS A 57 77.998 8.220 2.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 79.173 8.606 4.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 79.645 9.758 3.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 78.570 10.191 4.340 1.00 1.00 H new ATOM 956 N ILE A 58 72.202 11.960 -1.029 1.00 1.00 N ATOM 957 CA ILE A 58 71.456 13.161 -1.527 1.00 1.00 C ATOM 958 C ILE A 58 70.563 13.825 -0.443 1.00 1.00 C ATOM 959 O ILE A 58 69.556 13.239 -0.048 1.00 1.00 O ATOM 960 CB ILE A 58 70.574 12.739 -2.754 1.00 1.00 C ATOM 961 CG1 ILE A 58 71.452 12.633 -4.043 1.00 1.00 C ATOM 962 CG2 ILE A 58 69.444 13.792 -3.022 1.00 1.00 C ATOM 963 CD1 ILE A 58 72.627 11.658 -3.878 1.00 1.00 C ATOM 0 H ILE A 58 71.617 11.170 -0.756 1.00 1.00 H new ATOM 0 HA ILE A 58 72.197 13.906 -1.815 1.00 1.00 H new ATOM 0 HB ILE A 58 70.128 11.773 -2.518 1.00 1.00 H new ATOM 0 HG12 ILE A 58 70.829 12.308 -4.877 1.00 1.00 H new ATOM 0 HG13 ILE A 58 71.837 13.620 -4.298 1.00 1.00 H new ATOM 0 HG21 ILE A 58 68.847 13.476 -3.877 1.00 1.00 H new ATOM 0 HG22 ILE A 58 68.805 13.871 -2.143 1.00 1.00 H new ATOM 0 HG23 ILE A 58 69.893 14.762 -3.232 1.00 1.00 H new ATOM 0 HD11 ILE A 58 73.203 11.623 -4.803 1.00 1.00 H new ATOM 0 HD12 ILE A 58 73.268 11.995 -3.063 1.00 1.00 H new ATOM 0 HD13 ILE A 58 72.245 10.663 -3.651 1.00 1.00 H new ATOM 975 N PRO A 59 70.818 15.067 -0.049 1.00 1.00 N ATOM 976 CA PRO A 59 69.898 15.793 0.880 1.00 1.00 C ATOM 977 C PRO A 59 68.451 15.776 0.326 1.00 1.00 C ATOM 978 O PRO A 59 68.258 15.642 -0.881 1.00 1.00 O ATOM 979 CB PRO A 59 70.466 17.236 0.879 1.00 1.00 C ATOM 980 CG PRO A 59 71.920 17.038 0.653 1.00 1.00 C ATOM 981 CD PRO A 59 71.995 15.912 -0.384 1.00 1.00 C ATOM 0 HA PRO A 59 69.850 15.352 1.876 1.00 1.00 H new ATOM 0 HB2 PRO A 59 70.017 17.843 0.093 1.00 1.00 H new ATOM 0 HB3 PRO A 59 70.272 17.744 1.824 1.00 1.00 H new ATOM 0 HG2 PRO A 59 72.393 17.949 0.285 1.00 1.00 H new ATOM 0 HG3 PRO A 59 72.432 16.763 1.575 1.00 1.00 H new ATOM 0 HD2 PRO A 59 71.938 16.297 -1.402 1.00 1.00 H new ATOM 0 HD3 PRO A 59 72.928 15.353 -0.306 1.00 1.00 H new ATOM 989 N PRO A 60 67.453 15.910 1.163 1.00 1.00 N ATOM 990 CA PRO A 60 66.013 15.911 0.723 1.00 1.00 C ATOM 991 C PRO A 60 65.687 17.115 -0.184 1.00 1.00 C ATOM 992 O PRO A 60 64.621 17.180 -0.798 1.00 1.00 O ATOM 993 CB PRO A 60 65.232 15.961 2.061 1.00 1.00 C ATOM 994 CG PRO A 60 66.187 16.611 3.018 1.00 1.00 C ATOM 995 CD PRO A 60 67.570 16.092 2.621 1.00 1.00 C ATOM 0 HA PRO A 60 65.755 15.043 0.117 1.00 1.00 H new ATOM 0 HB2 PRO A 60 64.311 16.537 1.964 1.00 1.00 H new ATOM 0 HB3 PRO A 60 64.950 14.963 2.396 1.00 1.00 H new ATOM 0 HG2 PRO A 60 66.139 17.697 2.945 1.00 1.00 H new ATOM 0 HG3 PRO A 60 65.950 16.350 4.049 1.00 1.00 H new ATOM 0 HD2 PRO A 60 68.356 16.803 2.877 1.00 1.00 H new ATOM 0 HD3 PRO A 60 67.810 15.156 3.126 1.00 1.00 H new ATOM 1003 N THR A 61 66.609 18.068 -0.219 1.00 1.00 N ATOM 1004 CA THR A 61 66.454 19.302 -0.997 1.00 1.00 C ATOM 1005 C THR A 61 66.432 19.078 -2.511 1.00 1.00 C ATOM 1006 O THR A 61 65.696 19.743 -3.240 1.00 1.00 O ATOM 1007 CB THR A 61 67.635 20.215 -0.672 1.00 1.00 C ATOM 1008 OG1 THR A 61 67.715 20.401 0.735 1.00 1.00 O ATOM 1009 CG2 THR A 61 67.458 21.573 -1.360 1.00 1.00 C ATOM 0 H THR A 61 67.490 18.012 0.291 1.00 1.00 H new ATOM 0 HA THR A 61 65.492 19.736 -0.723 1.00 1.00 H new ATOM 0 HB THR A 61 68.553 19.752 -1.034 1.00 1.00 H new ATOM 0 HG1 THR A 61 68.473 20.985 0.945 1.00 1.00 H new ATOM 0 HG21 THR A 61 68.306 22.215 -1.121 1.00 1.00 H new ATOM 0 HG22 THR A 61 67.404 21.430 -2.439 1.00 1.00 H new ATOM 0 HG23 THR A 61 66.538 22.041 -1.010 1.00 1.00 H new ATOM 1017 N VAL A 62 67.300 18.198 -2.972 1.00 1.00 N ATOM 1018 CA VAL A 62 67.465 17.932 -4.400 1.00 1.00 C ATOM 1019 C VAL A 62 66.250 17.311 -5.102 1.00 1.00 C ATOM 1020 O VAL A 62 65.869 17.757 -6.184 1.00 1.00 O ATOM 1021 CB VAL A 62 68.629 16.960 -4.545 1.00 1.00 C ATOM 1022 CG1 VAL A 62 68.958 16.738 -6.028 1.00 1.00 C ATOM 1023 CG2 VAL A 62 69.861 17.523 -3.826 1.00 1.00 C ATOM 0 H VAL A 62 67.913 17.645 -2.373 1.00 1.00 H new ATOM 0 HA VAL A 62 67.623 18.899 -4.877 1.00 1.00 H new ATOM 0 HB VAL A 62 68.348 16.006 -4.099 1.00 1.00 H new ATOM 0 HG11 VAL A 62 69.792 16.041 -6.115 1.00 1.00 H new ATOM 0 HG12 VAL A 62 68.086 16.326 -6.536 1.00 1.00 H new ATOM 0 HG13 VAL A 62 69.230 17.689 -6.487 1.00 1.00 H new ATOM 0 HG21 VAL A 62 70.693 16.827 -3.930 1.00 1.00 H new ATOM 0 HG22 VAL A 62 70.133 18.482 -4.267 1.00 1.00 H new ATOM 0 HG23 VAL A 62 69.634 17.661 -2.769 1.00 1.00 H new ATOM 1033 N TRP A 63 65.698 16.231 -4.544 1.00 1.00 N ATOM 1034 CA TRP A 63 64.595 15.522 -5.217 1.00 1.00 C ATOM 1035 C TRP A 63 63.402 16.413 -5.540 1.00 1.00 C ATOM 1036 O TRP A 63 62.589 16.048 -6.391 1.00 1.00 O ATOM 1037 CB TRP A 63 64.141 14.244 -4.494 1.00 1.00 C ATOM 1038 CG TRP A 63 65.312 13.340 -4.210 1.00 1.00 C ATOM 1039 CD1 TRP A 63 65.595 12.832 -2.984 1.00 1.00 C ATOM 1040 CD2 TRP A 63 66.358 12.821 -5.115 1.00 1.00 C ATOM 1041 NE1 TRP A 63 66.737 12.065 -3.066 1.00 1.00 N ATOM 1042 CE2 TRP A 63 67.243 12.030 -4.345 1.00 1.00 C ATOM 1043 CE3 TRP A 63 66.651 12.957 -6.501 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 68.353 11.409 -4.909 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 67.774 12.341 -7.055 1.00 1.00 C ATOM 1046 CH2 TRP A 63 68.624 11.572 -6.264 1.00 1.00 C ATOM 0 H TRP A 63 65.984 15.832 -3.650 1.00 1.00 H new ATOM 0 HA TRP A 63 65.033 15.211 -6.166 1.00 1.00 H new ATOM 0 HB2 TRP A 63 63.645 14.507 -3.560 1.00 1.00 H new ATOM 0 HB3 TRP A 63 63.409 13.716 -5.106 1.00 1.00 H new ATOM 0 HD1 TRP A 63 65.018 13.002 -2.087 1.00 1.00 H new ATOM 0 HE1 TRP A 63 67.157 11.581 -2.273 1.00 1.00 H new ATOM 0 HE3 TRP A 63 65.998 13.543 -7.130 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 69.003 10.802 -4.296 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 67.986 12.462 -8.107 1.00 1.00 H new ATOM 0 HH2 TRP A 63 69.493 11.103 -6.702 1.00 1.00 H new ATOM 1057 N GLN A 64 63.357 17.629 -4.950 1.00 1.00 N ATOM 1058 CA GLN A 64 62.286 18.620 -5.312 1.00 1.00 C ATOM 1059 C GLN A 64 62.733 19.472 -6.515 1.00 1.00 C ATOM 1060 O GLN A 64 61.899 19.979 -7.264 1.00 1.00 O ATOM 1061 CB GLN A 64 61.803 19.461 -4.130 1.00 1.00 C ATOM 1062 CG GLN A 64 61.286 18.543 -3.020 1.00 1.00 C ATOM 1063 CD GLN A 64 60.918 19.371 -1.794 1.00 1.00 C ATOM 1064 OE1 GLN A 64 60.731 20.583 -1.898 1.00 1.00 O ATOM 1065 NE2 GLN A 64 60.803 18.788 -0.632 1.00 1.00 N ATOM 0 H GLN A 64 64.019 17.952 -4.244 1.00 1.00 H new ATOM 0 HA GLN A 64 61.406 18.051 -5.611 1.00 1.00 H new ATOM 0 HB2 GLN A 64 62.618 20.079 -3.754 1.00 1.00 H new ATOM 0 HB3 GLN A 64 61.012 20.138 -4.452 1.00 1.00 H new ATOM 0 HG2 GLN A 64 60.415 17.988 -3.370 1.00 1.00 H new ATOM 0 HG3 GLN A 64 62.048 17.809 -2.759 1.00 1.00 H new ATOM 0 HE21 GLN A 64 60.958 17.783 -0.548 1.00 1.00 H new ATOM 0 HE22 GLN A 64 60.558 19.337 0.192 1.00 1.00 H new ATOM 1074 N HIS A 65 64.055 19.645 -6.680 1.00 1.00 N ATOM 1075 CA HIS A 65 64.622 20.461 -7.776 1.00 1.00 C ATOM 1076 C HIS A 65 65.281 19.626 -8.871 1.00 1.00 C ATOM 1077 O HIS A 65 64.982 19.792 -10.052 1.00 1.00 O ATOM 1078 CB HIS A 65 65.685 21.388 -7.183 1.00 1.00 C ATOM 1079 CG HIS A 65 65.075 22.195 -6.071 1.00 1.00 C ATOM 1080 ND1 HIS A 65 65.522 22.105 -4.762 1.00 1.00 N ATOM 1081 CD2 HIS A 65 64.048 23.107 -6.055 1.00 1.00 C ATOM 1082 CE1 HIS A 65 64.772 22.938 -4.019 1.00 1.00 C ATOM 1083 NE2 HIS A 65 63.859 23.574 -4.758 1.00 1.00 N ATOM 0 H HIS A 65 64.757 19.230 -6.067 1.00 1.00 H new ATOM 0 HA HIS A 65 63.797 21.008 -8.232 1.00 1.00 H new ATOM 0 HB2 HIS A 65 66.524 20.804 -6.806 1.00 1.00 H new ATOM 0 HB3 HIS A 65 66.079 22.050 -7.955 1.00 1.00 H new ATOM 0 HD1 HIS A 65 66.282 21.514 -4.424 1.00 1.00 H new ATOM 0 HD2 HIS A 65 63.475 23.415 -6.917 1.00 1.00 H new ATOM 0 HE1 HIS A 65 64.893 23.076 -2.955 1.00 1.00 H new ATOM 1092 N VAL A 66 66.195 18.754 -8.476 1.00 1.00 N ATOM 1093 CA VAL A 66 66.922 17.920 -9.424 1.00 1.00 C ATOM 1094 C VAL A 66 67.557 18.794 -10.515 1.00 1.00 C ATOM 1095 O VAL A 66 67.421 18.514 -11.703 1.00 1.00 O ATOM 1096 CB VAL A 66 65.978 16.838 -10.052 1.00 1.00 C ATOM 1097 CG1 VAL A 66 66.762 15.537 -10.337 1.00 1.00 C ATOM 1098 CG2 VAL A 66 64.822 16.521 -9.083 1.00 1.00 C ATOM 0 H VAL A 66 66.453 18.604 -7.501 1.00 1.00 H new ATOM 0 HA VAL A 66 67.717 17.398 -8.891 1.00 1.00 H new ATOM 0 HB VAL A 66 65.580 17.233 -10.987 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.092 14.796 -10.773 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.574 15.746 -11.034 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.175 15.149 -9.406 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.171 15.768 -9.527 1.00 1.00 H new ATOM 0 HG22 VAL A 66 65.227 16.142 -8.145 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.249 17.428 -8.891 1.00 1.00 H new ATOM 1108 N LYS A 67 68.248 19.856 -10.099 1.00 1.00 N ATOM 1109 CA LYS A 67 68.903 20.768 -11.045 1.00 1.00 C ATOM 1110 C LYS A 67 70.052 21.500 -10.359 1.00 1.00 C ATOM 1111 O LYS A 67 71.073 21.795 -10.980 1.00 1.00 O ATOM 1112 CB LYS A 67 67.898 21.808 -11.583 1.00 1.00 C ATOM 1113 CG LYS A 67 66.884 21.149 -12.534 1.00 1.00 C ATOM 1114 CD LYS A 67 66.096 22.238 -13.277 1.00 1.00 C ATOM 1115 CE LYS A 67 64.944 21.606 -14.065 1.00 1.00 C ATOM 1116 NZ LYS A 67 63.946 21.041 -13.116 1.00 1.00 N ATOM 0 H LYS A 67 68.370 20.108 -9.118 1.00 1.00 H new ATOM 0 HA LYS A 67 69.286 20.175 -11.875 1.00 1.00 H new ATOM 0 HB2 LYS A 67 67.372 22.276 -10.751 1.00 1.00 H new ATOM 0 HB3 LYS A 67 68.433 22.600 -12.107 1.00 1.00 H new ATOM 0 HG2 LYS A 67 67.402 20.509 -13.248 1.00 1.00 H new ATOM 0 HG3 LYS A 67 66.202 20.512 -11.971 1.00 1.00 H new ATOM 0 HD2 LYS A 67 65.705 22.965 -12.565 1.00 1.00 H new ATOM 0 HD3 LYS A 67 66.757 22.779 -13.954 1.00 1.00 H new ATOM 0 HE2 LYS A 67 64.473 22.353 -14.703 1.00 1.00 H new ATOM 0 HE3 LYS A 67 65.324 20.822 -14.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 63.025 20.954 -13.591 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 64.261 20.102 -12.799 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 63.853 21.671 -12.294 1.00 1.00 H new ATOM 1130 N HIS A 68 69.869 21.806 -9.082 1.00 1.00 N ATOM 1131 CA HIS A 68 70.887 22.525 -8.326 1.00 1.00 C ATOM 1132 C HIS A 68 72.098 21.640 -8.047 1.00 1.00 C ATOM 1133 O HIS A 68 71.979 20.422 -7.913 1.00 1.00 O ATOM 1134 CB HIS A 68 70.300 23.024 -7.003 1.00 1.00 C ATOM 1135 CG HIS A 68 69.258 24.075 -7.277 1.00 1.00 C ATOM 1136 ND1 HIS A 68 67.907 23.776 -7.347 1.00 1.00 N ATOM 1137 CD2 HIS A 68 69.356 25.424 -7.513 1.00 1.00 C ATOM 1138 CE1 HIS A 68 67.252 24.920 -7.617 1.00 1.00 C ATOM 1139 NE2 HIS A 68 68.088 25.955 -7.728 1.00 1.00 N ATOM 0 H HIS A 68 69.031 21.570 -8.550 1.00 1.00 H new ATOM 0 HA HIS A 68 71.214 23.374 -8.926 1.00 1.00 H new ATOM 0 HB2 HIS A 68 69.857 22.193 -6.454 1.00 1.00 H new ATOM 0 HB3 HIS A 68 71.090 23.436 -6.375 1.00 1.00 H new ATOM 0 HD2 HIS A 68 70.277 25.987 -7.529 1.00 1.00 H new ATOM 0 HE1 HIS A 68 66.180 24.992 -7.730 1.00 1.00 H new ATOM 0 HE2 HIS A 68 67.849 26.926 -7.928 1.00 1.00 H new ATOM 1148 N HIS A 69 73.263 22.275 -7.955 1.00 1.00 N ATOM 1149 CA HIS A 69 74.507 21.566 -7.687 1.00 1.00 C ATOM 1150 C HIS A 69 75.631 22.574 -7.461 1.00 1.00 C ATOM 1151 O HIS A 69 75.388 23.781 -7.433 1.00 1.00 O ATOM 1152 CB HIS A 69 74.852 20.644 -8.861 1.00 1.00 C ATOM 1153 CG HIS A 69 75.013 21.464 -10.112 1.00 1.00 C ATOM 1154 ND1 HIS A 69 73.929 21.864 -10.878 1.00 1.00 N ATOM 1155 CD2 HIS A 69 76.124 21.963 -10.747 1.00 1.00 C ATOM 1156 CE1 HIS A 69 74.406 22.569 -11.920 1.00 1.00 C ATOM 1157 NE2 HIS A 69 75.738 22.660 -11.889 1.00 1.00 N ATOM 0 H HIS A 69 73.370 23.284 -8.063 1.00 1.00 H new ATOM 0 HA HIS A 69 74.387 20.957 -6.791 1.00 1.00 H new ATOM 0 HB2 HIS A 69 75.772 20.098 -8.650 1.00 1.00 H new ATOM 0 HB3 HIS A 69 74.065 19.902 -8.998 1.00 1.00 H new ATOM 0 HD1 HIS A 69 72.948 21.661 -10.686 1.00 1.00 H new ATOM 0 HD2 HIS A 69 77.142 21.834 -10.411 1.00 1.00 H new ATOM 0 HE1 HIS A 69 73.787 23.008 -12.688 1.00 1.00 H new ATOM 1166 N HIS A 70 76.860 22.085 -7.297 1.00 1.00 N ATOM 1167 CA HIS A 70 78.007 22.972 -7.068 1.00 1.00 C ATOM 1168 C HIS A 70 79.312 22.286 -7.456 1.00 1.00 C ATOM 1169 O HIS A 70 79.547 21.129 -7.108 1.00 1.00 O ATOM 1170 CB HIS A 70 78.067 23.377 -5.593 1.00 1.00 C ATOM 1171 CG HIS A 70 76.849 24.185 -5.242 1.00 1.00 C ATOM 1172 ND1 HIS A 70 76.823 25.567 -5.349 1.00 1.00 N ATOM 1173 CD2 HIS A 70 75.606 23.821 -4.784 1.00 1.00 C ATOM 1174 CE1 HIS A 70 75.602 25.981 -4.964 1.00 1.00 C ATOM 1175 NE2 HIS A 70 74.821 24.957 -4.610 1.00 1.00 N ATOM 0 H HIS A 70 77.089 21.091 -7.318 1.00 1.00 H new ATOM 0 HA HIS A 70 77.879 23.859 -7.689 1.00 1.00 H new ATOM 0 HB2 HIS A 70 78.120 22.489 -4.963 1.00 1.00 H new ATOM 0 HB3 HIS A 70 78.969 23.958 -5.401 1.00 1.00 H new ATOM 0 HD2 HIS A 70 75.287 22.808 -4.589 1.00 1.00 H new ATOM 0 HE1 HIS A 70 75.291 27.015 -4.944 1.00 1.00 H new ATOM 0 HE2 HIS A 70 73.856 24.999 -4.282 1.00 1.00 H new ATOM 1184 N HIS A 71 80.160 23.015 -8.175 1.00 1.00 N ATOM 1185 CA HIS A 71 81.445 22.478 -8.605 1.00 1.00 C ATOM 1186 C HIS A 71 82.399 22.379 -7.420 1.00 1.00 C ATOM 1187 O HIS A 71 82.252 23.098 -6.431 1.00 1.00 O ATOM 1188 CB HIS A 71 82.056 23.382 -9.678 1.00 1.00 C ATOM 1189 CG HIS A 71 81.189 23.367 -10.907 1.00 1.00 C ATOM 1190 ND1 HIS A 71 80.328 24.409 -11.218 1.00 1.00 N ATOM 1191 CD2 HIS A 71 81.043 22.448 -11.917 1.00 1.00 C ATOM 1192 CE1 HIS A 71 79.709 24.094 -12.370 1.00 1.00 C ATOM 1193 NE2 HIS A 71 80.109 22.909 -12.839 1.00 1.00 N ATOM 0 H HIS A 71 79.981 23.975 -8.471 1.00 1.00 H new ATOM 0 HA HIS A 71 81.285 21.482 -9.018 1.00 1.00 H new ATOM 0 HB2 HIS A 71 82.150 24.400 -9.300 1.00 1.00 H new ATOM 0 HB3 HIS A 71 83.061 23.040 -9.926 1.00 1.00 H new ATOM 0 HD2 HIS A 71 81.573 21.509 -11.985 1.00 1.00 H new ATOM 0 HE1 HIS A 71 78.978 24.723 -12.856 1.00 1.00 H new ATOM 0 HE2 HIS A 71 79.797 22.442 -13.690 1.00 1.00 H new ATOM 1202 N HIS A 72 83.378 21.488 -7.525 1.00 1.00 N ATOM 1203 CA HIS A 72 84.350 21.309 -6.453 1.00 1.00 C ATOM 1204 C HIS A 72 85.496 20.414 -6.912 1.00 1.00 C ATOM 1205 O HIS A 72 85.330 19.586 -7.807 1.00 1.00 O ATOM 1206 CB HIS A 72 83.671 20.686 -5.232 1.00 1.00 C ATOM 1207 CG HIS A 72 83.066 19.364 -5.615 1.00 1.00 C ATOM 1208 ND1 HIS A 72 82.008 19.267 -6.506 1.00 1.00 N ATOM 1209 CD2 HIS A 72 83.358 18.077 -5.238 1.00 1.00 C ATOM 1210 CE1 HIS A 72 81.704 17.962 -6.634 1.00 1.00 C ATOM 1211 NE2 HIS A 72 82.497 17.193 -5.882 1.00 1.00 N ATOM 0 H HIS A 72 83.519 20.883 -8.334 1.00 1.00 H new ATOM 0 HA HIS A 72 84.752 22.286 -6.186 1.00 1.00 H new ATOM 0 HB2 HIS A 72 84.396 20.547 -4.430 1.00 1.00 H new ATOM 0 HB3 HIS A 72 82.899 21.355 -4.851 1.00 1.00 H new ATOM 0 HD2 HIS A 72 84.138 17.793 -4.547 1.00 1.00 H new ATOM 0 HE1 HIS A 72 80.916 17.583 -7.267 1.00 1.00 H new ATOM 0 HE2 HIS A 72 82.476 16.177 -5.798 1.00 1.00 H new ATOM 1220 N HIS A 73 86.658 20.587 -6.291 1.00 1.00 N ATOM 1221 CA HIS A 73 87.827 19.790 -6.643 1.00 1.00 C ATOM 1222 C HIS A 73 87.502 18.301 -6.574 1.00 1.00 C ATOM 1223 O HIS A 73 87.360 17.696 -7.624 1.00 1.00 O ATOM 1224 CB HIS A 73 88.980 20.106 -5.689 1.00 1.00 C ATOM 1225 CG HIS A 73 90.199 19.326 -6.100 1.00 1.00 C ATOM 1226 ND1 HIS A 73 90.929 19.640 -7.236 1.00 1.00 N ATOM 1227 CD2 HIS A 73 90.830 18.244 -5.537 1.00 1.00 C ATOM 1228 CE1 HIS A 73 91.946 18.763 -7.320 1.00 1.00 C ATOM 1229 NE2 HIS A 73 91.933 17.891 -6.309 1.00 1.00 N ATOM 1230 OXT HIS A 73 87.399 17.788 -5.472 1.00 1.00 O ATOM 0 H HIS A 73 86.815 21.267 -5.547 1.00 1.00 H new ATOM 0 HA HIS A 73 88.119 20.040 -7.663 1.00 1.00 H new ATOM 0 HB2 HIS A 73 89.196 21.174 -5.704 1.00 1.00 H new ATOM 0 HB3 HIS A 73 88.700 19.852 -4.667 1.00 1.00 H new ATOM 0 HD2 HIS A 73 90.518 17.743 -4.633 1.00 1.00 H new ATOM 0 HE1 HIS A 73 92.683 18.764 -8.109 1.00 1.00 H new ATOM 0 HE2 HIS A 73 92.590 17.130 -6.139 1.00 1.00 H new TER 1239 HIS A 73