USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 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 -127:sc= -0.111 USER MOD Set 1.2: A 18 THR OG1 : rot 141:sc= 0.94 USER MOD Set 2.1: A 2 THR OG1 : rot 91:sc= 1.18 USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= 0.878 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 165:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.551) USER MOD Single : A 13 CYS SG : rot -80:sc= -0.485! USER MOD Single : A 14 THR OG1 : rot 91:sc= -1.71 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -9.73! C(o=-9.7!,f=-9.2!) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.163 (180deg=-0.876) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -90:sc= -0.265 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 HE2:sc= -0.977 K(o=-0.98,f=-2.1) USER MOD Single : A 50 THR OG1 : rot 66:sc= 0.991 USER MOD Single : A 51 MET CE :methyl -150:sc= -0.152 (180deg=-1.55) USER MOD Single : A 52 ASN : amide:sc= -2.34! C(o=-2.3!,f=-10!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 1.31 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=-1.5!) USER MOD Single : A 65 HIS : no HE2:sc= 0.00537 X(o=0.0054,f=-0.059) USER MOD Single : A 67 LYS NZ :NH3+ 127:sc= -0.0816 (180deg=-0.811) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 69 HIS : no HE2:sc= 0.743 K(o=0.74,f=-6.2!) USER MOD Single : A 70 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-2.8!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 72 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-2.1!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.255 -9.757 1.701 1.00 1.00 N ATOM 2 CA GLY A 1 72.711 -8.829 0.669 1.00 1.00 C ATOM 3 C GLY A 1 72.891 -7.390 1.134 1.00 1.00 C ATOM 4 O GLY A 1 71.920 -6.704 1.451 1.00 1.00 O ATOM 0 H1 GLY A 1 73.132 -10.740 1.384 1.00 1.00 H new ATOM 0 H2 GLY A 1 74.267 -9.563 1.843 1.00 1.00 H new ATOM 0 H3 GLY A 1 72.746 -9.616 2.597 1.00 1.00 H new ATOM 0 HA2 GLY A 1 73.224 -8.983 -0.280 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.655 -9.038 0.498 1.00 1.00 H new ATOM 10 N THR A 2 74.141 -6.938 1.173 1.00 1.00 N ATOM 11 CA THR A 2 74.443 -5.577 1.604 1.00 1.00 C ATOM 12 C THR A 2 74.106 -4.582 0.502 1.00 1.00 C ATOM 13 O THR A 2 73.956 -4.950 -0.663 1.00 1.00 O ATOM 14 CB THR A 2 75.925 -5.462 1.966 1.00 1.00 C ATOM 15 OG1 THR A 2 76.716 -5.912 0.875 1.00 1.00 O ATOM 16 CG2 THR A 2 76.215 -6.321 3.198 1.00 1.00 C ATOM 0 H THR A 2 74.958 -7.491 0.913 1.00 1.00 H new ATOM 0 HA THR A 2 73.837 -5.348 2.481 1.00 1.00 H new ATOM 0 HB THR A 2 76.168 -4.422 2.183 1.00 1.00 H new ATOM 0 HG1 THR A 2 76.927 -5.155 0.289 1.00 1.00 H new ATOM 0 HG21 THR A 2 77.271 -6.240 3.457 1.00 1.00 H new ATOM 0 HG22 THR A 2 75.608 -5.974 4.034 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.973 -7.361 2.981 1.00 1.00 H new ATOM 24 N LYS A 3 73.973 -3.312 0.890 1.00 1.00 N ATOM 25 CA LYS A 3 73.634 -2.234 -0.047 1.00 1.00 C ATOM 26 C LYS A 3 74.748 -2.031 -1.091 1.00 1.00 C ATOM 27 O LYS A 3 74.509 -1.448 -2.145 1.00 1.00 O ATOM 28 CB LYS A 3 73.213 -0.957 0.685 1.00 1.00 C ATOM 29 CG LYS A 3 72.431 -0.028 -0.250 1.00 1.00 C ATOM 30 CD LYS A 3 72.188 1.359 0.414 1.00 1.00 C ATOM 31 CE LYS A 3 71.000 1.291 1.386 1.00 1.00 C ATOM 32 NZ LYS A 3 70.805 2.624 2.021 1.00 1.00 N ATOM 0 H LYS A 3 74.096 -3.001 1.854 1.00 1.00 H new ATOM 0 HA LYS A 3 72.754 -2.534 -0.615 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.599 -1.213 1.548 1.00 1.00 H new ATOM 0 HB3 LYS A 3 74.096 -0.441 1.063 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.981 0.103 -1.182 1.00 1.00 H new ATOM 0 HG3 LYS A 3 71.475 -0.485 -0.506 1.00 1.00 H new ATOM 0 HD2 LYS A 3 73.084 1.675 0.948 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.994 2.107 -0.354 1.00 1.00 H new ATOM 0 HE2 LYS A 3 70.097 0.994 0.854 1.00 1.00 H new ATOM 0 HE3 LYS A 3 71.183 0.535 2.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 70.001 2.581 2.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.665 2.890 2.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 70.612 3.334 1.286 1.00 1.00 H new ATOM 46 N THR A 4 75.936 -2.566 -0.855 1.00 1.00 N ATOM 47 CA THR A 4 76.996 -2.472 -1.871 1.00 1.00 C ATOM 48 C THR A 4 76.430 -2.936 -3.235 1.00 1.00 C ATOM 49 O THR A 4 76.461 -2.196 -4.217 1.00 1.00 O ATOM 50 CB THR A 4 78.105 -3.438 -1.460 1.00 1.00 C ATOM 51 OG1 THR A 4 77.544 -4.716 -1.197 1.00 1.00 O ATOM 52 CG2 THR A 4 78.798 -2.910 -0.203 1.00 1.00 C ATOM 0 H THR A 4 76.195 -3.057 0.001 1.00 1.00 H new ATOM 0 HA THR A 4 77.365 -1.450 -1.952 1.00 1.00 H new ATOM 0 HB THR A 4 78.834 -3.523 -2.266 1.00 1.00 H new ATOM 0 HG1 THR A 4 78.255 -5.337 -0.934 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.590 -3.598 0.092 1.00 1.00 H new ATOM 0 HG22 THR A 4 79.227 -1.929 -0.409 1.00 1.00 H new ATOM 0 HG23 THR A 4 78.071 -2.825 0.605 1.00 1.00 H new ATOM 60 N ASP A 5 75.895 -4.151 -3.258 1.00 1.00 N ATOM 61 CA ASP A 5 75.282 -4.741 -4.460 1.00 1.00 C ATOM 62 C ASP A 5 74.205 -3.846 -5.082 1.00 1.00 C ATOM 63 O ASP A 5 74.055 -3.796 -6.302 1.00 1.00 O ATOM 64 CB ASP A 5 74.587 -6.033 -4.040 1.00 1.00 C ATOM 65 CG ASP A 5 75.595 -6.993 -3.417 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.782 -6.773 -3.598 1.00 1.00 O ATOM 67 OD2 ASP A 5 75.166 -7.932 -2.768 1.00 1.00 O ATOM 0 H ASP A 5 75.870 -4.764 -2.443 1.00 1.00 H new ATOM 0 HA ASP A 5 76.075 -4.889 -5.193 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.794 -5.813 -3.326 1.00 1.00 H new ATOM 0 HB3 ASP A 5 74.116 -6.499 -4.905 1.00 1.00 H new ATOM 72 N TYR A 6 73.459 -3.152 -4.233 1.00 1.00 N ATOM 73 CA TYR A 6 72.387 -2.259 -4.678 1.00 1.00 C ATOM 74 C TYR A 6 72.946 -1.020 -5.366 1.00 1.00 C ATOM 75 O TYR A 6 72.621 -0.738 -6.513 1.00 1.00 O ATOM 76 CB TYR A 6 71.554 -1.796 -3.443 1.00 1.00 C ATOM 77 CG TYR A 6 70.591 -2.904 -2.980 1.00 1.00 C ATOM 78 CD1 TYR A 6 71.091 -4.148 -2.579 1.00 1.00 C ATOM 79 CD2 TYR A 6 69.202 -2.678 -2.947 1.00 1.00 C ATOM 80 CE1 TYR A 6 70.221 -5.159 -2.151 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.333 -3.691 -2.515 1.00 1.00 C ATOM 82 CZ TYR A 6 68.844 -4.929 -2.118 1.00 1.00 C ATOM 83 OH TYR A 6 67.988 -5.926 -1.695 1.00 1.00 O ATOM 0 H TYR A 6 73.576 -3.189 -3.220 1.00 1.00 H new ATOM 0 HA TYR A 6 71.766 -2.809 -5.386 1.00 1.00 H new ATOM 0 HB2 TYR A 6 72.225 -1.528 -2.627 1.00 1.00 H new ATOM 0 HB3 TYR A 6 70.988 -0.900 -3.697 1.00 1.00 H new ATOM 0 HD1 TYR A 6 72.155 -4.330 -2.600 1.00 1.00 H new ATOM 0 HD2 TYR A 6 68.804 -1.722 -3.255 1.00 1.00 H new ATOM 0 HE1 TYR A 6 70.615 -6.117 -1.846 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.268 -3.514 -2.489 1.00 1.00 H new ATOM 0 HH TYR A 6 67.107 -5.542 -1.504 1.00 1.00 H new ATOM 93 N LEU A 7 73.749 -0.257 -4.643 1.00 1.00 N ATOM 94 CA LEU A 7 74.286 0.978 -5.183 1.00 1.00 C ATOM 95 C LEU A 7 75.217 0.736 -6.353 1.00 1.00 C ATOM 96 O LEU A 7 75.216 1.506 -7.307 1.00 1.00 O ATOM 97 CB LEU A 7 75.063 1.729 -4.083 1.00 1.00 C ATOM 98 CG LEU A 7 74.091 2.281 -2.996 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.807 2.402 -1.643 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.571 3.668 -3.389 1.00 1.00 C ATOM 0 H LEU A 7 74.041 -0.469 -3.689 1.00 1.00 H new ATOM 0 HA LEU A 7 73.441 1.569 -5.536 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.788 1.059 -3.622 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.625 2.551 -4.526 1.00 1.00 H new ATOM 0 HG LEU A 7 73.258 1.582 -2.916 1.00 1.00 H new ATOM 0 HD11 LEU A 7 74.113 2.789 -0.897 1.00 1.00 H new ATOM 0 HD12 LEU A 7 75.164 1.421 -1.331 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.653 3.083 -1.739 1.00 1.00 H new ATOM 0 HD21 LEU A 7 72.894 4.035 -2.617 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.411 4.355 -3.493 1.00 1.00 H new ATOM 0 HD23 LEU A 7 73.038 3.601 -4.337 1.00 1.00 H new ATOM 112 N MET A 8 76.053 -0.308 -6.273 1.00 1.00 N ATOM 113 CA MET A 8 77.001 -0.515 -7.373 1.00 1.00 C ATOM 114 C MET A 8 76.177 -0.860 -8.607 1.00 1.00 C ATOM 115 O MET A 8 76.276 -0.199 -9.637 1.00 1.00 O ATOM 116 CB MET A 8 78.028 -1.607 -7.041 1.00 1.00 C ATOM 117 CG MET A 8 79.077 -1.079 -6.038 1.00 1.00 C ATOM 118 SD MET A 8 80.491 -2.215 -5.998 1.00 1.00 S ATOM 119 CE MET A 8 81.498 -1.415 -7.275 1.00 1.00 C ATOM 0 H MET A 8 76.095 -0.983 -5.510 1.00 1.00 H new ATOM 0 HA MET A 8 77.588 0.387 -7.550 1.00 1.00 H new ATOM 0 HB2 MET A 8 77.521 -2.476 -6.621 1.00 1.00 H new ATOM 0 HB3 MET A 8 78.524 -1.937 -7.954 1.00 1.00 H new ATOM 0 HG2 MET A 8 79.405 -0.081 -6.329 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.637 -0.993 -5.045 1.00 1.00 H new ATOM 0 HE1 MET A 8 82.428 -1.969 -7.405 1.00 1.00 H new ATOM 0 HE2 MET A 8 80.949 -1.402 -8.216 1.00 1.00 H new ATOM 0 HE3 MET A 8 81.724 -0.393 -6.972 1.00 1.00 H new ATOM 129 N ARG A 9 75.406 -1.934 -8.514 1.00 1.00 N ATOM 130 CA ARG A 9 74.623 -2.394 -9.650 1.00 1.00 C ATOM 131 C ARG A 9 73.803 -1.241 -10.246 1.00 1.00 C ATOM 132 O ARG A 9 73.773 -1.070 -11.465 1.00 1.00 O ATOM 133 CB ARG A 9 73.704 -3.519 -9.164 1.00 1.00 C ATOM 134 CG ARG A 9 72.942 -4.158 -10.331 1.00 1.00 C ATOM 135 CD ARG A 9 71.907 -5.153 -9.786 1.00 1.00 C ATOM 136 NE ARG A 9 71.388 -5.976 -10.871 1.00 1.00 N ATOM 137 CZ ARG A 9 72.141 -6.906 -11.449 1.00 1.00 C ATOM 138 NH1 ARG A 9 73.363 -7.107 -11.035 1.00 1.00 N ATOM 139 NH2 ARG A 9 71.659 -7.620 -12.429 1.00 1.00 N ATOM 0 H ARG A 9 75.307 -2.499 -7.670 1.00 1.00 H new ATOM 0 HA ARG A 9 75.282 -2.762 -10.436 1.00 1.00 H new ATOM 0 HB2 ARG A 9 74.295 -4.279 -8.653 1.00 1.00 H new ATOM 0 HB3 ARG A 9 72.995 -3.124 -8.437 1.00 1.00 H new ATOM 0 HG2 ARG A 9 72.445 -3.387 -10.920 1.00 1.00 H new ATOM 0 HG3 ARG A 9 73.638 -4.669 -10.997 1.00 1.00 H new ATOM 0 HD2 ARG A 9 72.364 -5.786 -9.025 1.00 1.00 H new ATOM 0 HD3 ARG A 9 71.091 -4.614 -9.305 1.00 1.00 H new ATOM 0 HE ARG A 9 70.430 -5.836 -11.192 1.00 1.00 H new ATOM 0 HH11 ARG A 9 73.740 -6.550 -10.268 1.00 1.00 H new ATOM 0 HH12 ARG A 9 73.941 -7.821 -11.479 1.00 1.00 H new ATOM 0 HH21 ARG A 9 70.704 -7.464 -12.752 1.00 1.00 H new ATOM 0 HH22 ARG A 9 72.237 -8.334 -12.872 1.00 1.00 H new ATOM 153 N LEU A 10 73.155 -0.449 -9.404 1.00 1.00 N ATOM 154 CA LEU A 10 72.368 0.684 -9.898 1.00 1.00 C ATOM 155 C LEU A 10 73.258 1.820 -10.412 1.00 1.00 C ATOM 156 O LEU A 10 73.040 2.354 -11.494 1.00 1.00 O ATOM 157 CB LEU A 10 71.542 1.252 -8.722 1.00 1.00 C ATOM 158 CG LEU A 10 70.440 0.261 -8.301 1.00 1.00 C ATOM 159 CD1 LEU A 10 69.794 0.785 -7.000 1.00 1.00 C ATOM 160 CD2 LEU A 10 69.363 0.110 -9.417 1.00 1.00 C ATOM 0 H LEU A 10 73.154 -0.562 -8.390 1.00 1.00 H new ATOM 0 HA LEU A 10 71.743 0.324 -10.715 1.00 1.00 H new ATOM 0 HB2 LEU A 10 72.198 1.455 -7.875 1.00 1.00 H new ATOM 0 HB3 LEU A 10 71.092 2.202 -9.012 1.00 1.00 H new ATOM 0 HG LEU A 10 70.878 -0.724 -8.138 1.00 1.00 H new ATOM 0 HD11 LEU A 10 69.009 0.099 -6.681 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.552 0.856 -6.220 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.364 1.770 -7.179 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.598 -0.595 -9.092 1.00 1.00 H new ATOM 0 HD22 LEU A 10 68.903 1.079 -9.613 1.00 1.00 H new ATOM 0 HD23 LEU A 10 69.833 -0.259 -10.329 1.00 1.00 H new ATOM 172 N ARG A 11 74.151 2.272 -9.540 1.00 1.00 N ATOM 173 CA ARG A 11 74.954 3.463 -9.846 1.00 1.00 C ATOM 174 C ARG A 11 75.684 3.332 -11.193 1.00 1.00 C ATOM 175 O ARG A 11 76.073 4.331 -11.793 1.00 1.00 O ATOM 176 CB ARG A 11 75.926 3.774 -8.678 1.00 1.00 C ATOM 177 CG ARG A 11 76.759 5.110 -8.898 1.00 1.00 C ATOM 178 CD ARG A 11 76.436 6.163 -7.784 1.00 1.00 C ATOM 179 NE ARG A 11 76.780 5.626 -6.469 1.00 1.00 N ATOM 180 CZ ARG A 11 78.046 5.442 -6.101 1.00 1.00 C ATOM 181 NH1 ARG A 11 79.016 5.717 -6.928 1.00 1.00 N ATOM 182 NH2 ARG A 11 78.320 4.984 -4.911 1.00 1.00 N ATOM 0 H ARG A 11 74.340 1.847 -8.632 1.00 1.00 H new ATOM 0 HA ARG A 11 74.278 4.311 -9.950 1.00 1.00 H new ATOM 0 HB2 ARG A 11 75.357 3.856 -7.752 1.00 1.00 H new ATOM 0 HB3 ARG A 11 76.616 2.939 -8.555 1.00 1.00 H new ATOM 0 HG2 ARG A 11 77.825 4.883 -8.891 1.00 1.00 H new ATOM 0 HG3 ARG A 11 76.529 5.529 -9.877 1.00 1.00 H new ATOM 0 HD2 ARG A 11 76.994 7.081 -7.968 1.00 1.00 H new ATOM 0 HD3 ARG A 11 75.378 6.422 -7.814 1.00 1.00 H new ATOM 0 HE ARG A 11 76.032 5.387 -5.818 1.00 1.00 H new ATOM 0 HH11 ARG A 11 78.806 6.074 -7.860 1.00 1.00 H new ATOM 0 HH12 ARG A 11 79.985 5.575 -6.643 1.00 1.00 H new ATOM 0 HH21 ARG A 11 77.564 4.767 -4.262 1.00 1.00 H new ATOM 0 HH22 ARG A 11 79.290 4.843 -4.630 1.00 1.00 H new ATOM 196 N LYS A 12 75.831 2.103 -11.707 1.00 1.00 N ATOM 197 CA LYS A 12 76.495 1.895 -13.021 1.00 1.00 C ATOM 198 C LYS A 12 75.445 1.788 -14.137 1.00 1.00 C ATOM 199 O LYS A 12 75.795 1.568 -15.297 1.00 1.00 O ATOM 200 CB LYS A 12 77.399 0.636 -12.966 1.00 1.00 C ATOM 201 CG LYS A 12 78.799 0.996 -12.396 1.00 1.00 C ATOM 202 CD LYS A 12 78.655 1.784 -11.069 1.00 1.00 C ATOM 203 CE LYS A 12 79.960 1.715 -10.239 1.00 1.00 C ATOM 204 NZ LYS A 12 81.145 1.774 -11.143 1.00 1.00 N ATOM 0 H LYS A 12 75.510 1.248 -11.252 1.00 1.00 H new ATOM 0 HA LYS A 12 77.129 2.753 -13.244 1.00 1.00 H new ATOM 0 HB2 LYS A 12 76.932 -0.127 -12.344 1.00 1.00 H new ATOM 0 HB3 LYS A 12 77.504 0.213 -13.965 1.00 1.00 H new ATOM 0 HG2 LYS A 12 79.374 0.086 -12.226 1.00 1.00 H new ATOM 0 HG3 LYS A 12 79.352 1.592 -13.122 1.00 1.00 H new ATOM 0 HD2 LYS A 12 78.411 2.824 -11.284 1.00 1.00 H new ATOM 0 HD3 LYS A 12 77.828 1.376 -10.488 1.00 1.00 H new ATOM 0 HE2 LYS A 12 79.993 2.541 -9.529 1.00 1.00 H new ATOM 0 HE3 LYS A 12 79.982 0.794 -9.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 81.982 2.065 -10.599 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 81.311 0.835 -11.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 80.969 2.463 -11.902 1.00 1.00 H new ATOM 218 N CYS A 13 74.163 1.971 -13.797 1.00 1.00 N ATOM 219 CA CYS A 13 73.094 1.917 -14.807 1.00 1.00 C ATOM 220 C CYS A 13 73.474 2.804 -15.992 1.00 1.00 C ATOM 221 O CYS A 13 73.426 2.381 -17.146 1.00 1.00 O ATOM 222 CB CYS A 13 71.771 2.398 -14.204 1.00 1.00 C ATOM 223 SG CYS A 13 71.983 4.068 -13.541 1.00 1.00 S ATOM 0 H CYS A 13 73.842 2.155 -12.846 1.00 1.00 H new ATOM 0 HA CYS A 13 72.971 0.888 -15.144 1.00 1.00 H new ATOM 0 HB2 CYS A 13 70.990 2.393 -14.964 1.00 1.00 H new ATOM 0 HB3 CYS A 13 71.451 1.719 -13.414 1.00 1.00 H new ATOM 0 HG CYS A 13 72.554 4.003 -12.375 1.00 1.00 H new ATOM 229 N THR A 14 73.912 4.021 -15.669 1.00 1.00 N ATOM 230 CA THR A 14 74.386 4.985 -16.668 1.00 1.00 C ATOM 231 C THR A 14 73.261 5.743 -17.389 1.00 1.00 C ATOM 232 O THR A 14 73.547 6.701 -18.107 1.00 1.00 O ATOM 233 CB THR A 14 75.294 4.263 -17.704 1.00 1.00 C ATOM 234 OG1 THR A 14 75.963 3.189 -17.059 1.00 1.00 O ATOM 235 CG2 THR A 14 76.341 5.227 -18.285 1.00 1.00 C ATOM 0 H THR A 14 73.949 4.368 -14.710 1.00 1.00 H new ATOM 0 HA THR A 14 74.953 5.739 -16.122 1.00 1.00 H new ATOM 0 HB THR A 14 74.670 3.895 -18.519 1.00 1.00 H new ATOM 0 HG1 THR A 14 75.425 2.374 -17.138 1.00 1.00 H new ATOM 0 HG21 THR A 14 76.963 4.697 -19.007 1.00 1.00 H new ATOM 0 HG22 THR A 14 75.837 6.056 -18.781 1.00 1.00 H new ATOM 0 HG23 THR A 14 76.967 5.612 -17.480 1.00 1.00 H new ATOM 243 N THR A 15 71.988 5.337 -17.226 1.00 1.00 N ATOM 244 CA THR A 15 70.874 6.035 -17.911 1.00 1.00 C ATOM 245 C THR A 15 69.633 6.136 -17.018 1.00 1.00 C ATOM 246 O THR A 15 69.263 5.188 -16.326 1.00 1.00 O ATOM 247 CB THR A 15 70.531 5.282 -19.221 1.00 1.00 C ATOM 248 OG1 THR A 15 70.567 3.886 -18.975 1.00 1.00 O ATOM 249 CG2 THR A 15 71.562 5.609 -20.318 1.00 1.00 C ATOM 0 H THR A 15 71.705 4.550 -16.642 1.00 1.00 H new ATOM 0 HA THR A 15 71.193 7.052 -18.139 1.00 1.00 H new ATOM 0 HB THR A 15 69.540 5.592 -19.553 1.00 1.00 H new ATOM 0 HG1 THR A 15 71.154 3.454 -19.630 1.00 1.00 H new ATOM 0 HG21 THR A 15 71.305 5.071 -21.231 1.00 1.00 H new ATOM 0 HG22 THR A 15 71.556 6.681 -20.515 1.00 1.00 H new ATOM 0 HG23 THR A 15 72.555 5.306 -19.986 1.00 1.00 H new ATOM 257 N ILE A 16 69.003 7.301 -17.064 1.00 1.00 N ATOM 258 CA ILE A 16 67.799 7.516 -16.265 1.00 1.00 C ATOM 259 C ILE A 16 66.654 6.660 -16.817 1.00 1.00 C ATOM 260 O ILE A 16 66.063 5.864 -16.088 1.00 1.00 O ATOM 261 CB ILE A 16 67.389 9.001 -16.304 1.00 1.00 C ATOM 262 CG1 ILE A 16 68.481 9.868 -15.648 1.00 1.00 C ATOM 263 CG2 ILE A 16 66.060 9.194 -15.552 1.00 1.00 C ATOM 264 CD1 ILE A 16 68.261 11.343 -16.012 1.00 1.00 C ATOM 0 H ILE A 16 69.294 8.097 -17.631 1.00 1.00 H new ATOM 0 HA ILE A 16 68.008 7.231 -15.234 1.00 1.00 H new ATOM 0 HB ILE A 16 67.266 9.306 -17.343 1.00 1.00 H new ATOM 0 HG12 ILE A 16 68.456 9.743 -14.565 1.00 1.00 H new ATOM 0 HG13 ILE A 16 69.466 9.544 -15.984 1.00 1.00 H new ATOM 0 HG21 ILE A 16 65.774 10.245 -15.582 1.00 1.00 H new ATOM 0 HG22 ILE A 16 65.284 8.593 -16.025 1.00 1.00 H new ATOM 0 HG23 ILE A 16 66.180 8.880 -14.515 1.00 1.00 H new ATOM 0 HD11 ILE A 16 69.035 11.952 -15.546 1.00 1.00 H new ATOM 0 HD12 ILE A 16 68.308 11.462 -17.094 1.00 1.00 H new ATOM 0 HD13 ILE A 16 67.283 11.664 -15.654 1.00 1.00 H new ATOM 276 N ASP A 17 66.289 6.886 -18.070 1.00 1.00 N ATOM 277 CA ASP A 17 65.144 6.191 -18.655 1.00 1.00 C ATOM 278 C ASP A 17 65.245 4.674 -18.467 1.00 1.00 C ATOM 279 O ASP A 17 64.246 3.955 -18.445 1.00 1.00 O ATOM 280 CB ASP A 17 65.044 6.518 -20.149 1.00 1.00 C ATOM 281 CG ASP A 17 66.298 6.037 -20.871 1.00 1.00 C ATOM 282 OD1 ASP A 17 67.227 5.623 -20.197 1.00 1.00 O ATOM 283 OD2 ASP A 17 66.311 6.089 -22.090 1.00 1.00 O ATOM 0 H ASP A 17 66.760 7.537 -18.698 1.00 1.00 H new ATOM 0 HA ASP A 17 64.248 6.535 -18.139 1.00 1.00 H new ATOM 0 HB2 ASP A 17 64.162 6.041 -20.576 1.00 1.00 H new ATOM 0 HB3 ASP A 17 64.924 7.592 -20.288 1.00 1.00 H new ATOM 288 N THR A 18 66.491 4.228 -18.282 1.00 1.00 N ATOM 289 CA THR A 18 66.771 2.799 -18.030 1.00 1.00 C ATOM 290 C THR A 18 66.447 2.470 -16.575 1.00 1.00 C ATOM 291 O THR A 18 65.845 1.438 -16.279 1.00 1.00 O ATOM 292 CB THR A 18 68.213 2.431 -18.370 1.00 1.00 C ATOM 293 OG1 THR A 18 68.515 2.882 -19.683 1.00 1.00 O ATOM 294 CG2 THR A 18 68.392 0.915 -18.298 1.00 1.00 C ATOM 0 H THR A 18 67.319 4.824 -18.300 1.00 1.00 H new ATOM 0 HA THR A 18 66.136 2.202 -18.685 1.00 1.00 H new ATOM 0 HB THR A 18 68.885 2.905 -17.655 1.00 1.00 H new ATOM 0 HG1 THR A 18 69.429 3.235 -19.706 1.00 1.00 H new ATOM 0 HG21 THR A 18 69.423 0.658 -18.542 1.00 1.00 H new ATOM 0 HG22 THR A 18 68.160 0.569 -17.291 1.00 1.00 H new ATOM 0 HG23 THR A 18 67.721 0.435 -19.010 1.00 1.00 H new ATOM 302 N LEU A 19 66.904 3.332 -15.671 1.00 1.00 N ATOM 303 CA LEU A 19 66.721 3.110 -14.233 1.00 1.00 C ATOM 304 C LEU A 19 65.290 2.645 -13.934 1.00 1.00 C ATOM 305 O LEU A 19 65.057 1.806 -13.080 1.00 1.00 O ATOM 306 CB LEU A 19 66.976 4.431 -13.473 1.00 1.00 C ATOM 307 CG LEU A 19 67.097 4.161 -11.936 1.00 1.00 C ATOM 308 CD1 LEU A 19 68.534 3.750 -11.560 1.00 1.00 C ATOM 309 CD2 LEU A 19 66.733 5.428 -11.136 1.00 1.00 C ATOM 0 H LEU A 19 67.403 4.190 -15.904 1.00 1.00 H new ATOM 0 HA LEU A 19 67.424 2.341 -13.912 1.00 1.00 H new ATOM 0 HB2 LEU A 19 67.890 4.898 -13.840 1.00 1.00 H new ATOM 0 HB3 LEU A 19 66.162 5.130 -13.663 1.00 1.00 H new ATOM 0 HG LEU A 19 66.409 3.352 -11.692 1.00 1.00 H new ATOM 0 HD11 LEU A 19 68.591 3.568 -10.487 1.00 1.00 H new ATOM 0 HD12 LEU A 19 68.805 2.841 -12.097 1.00 1.00 H new ATOM 0 HD13 LEU A 19 69.224 4.550 -11.830 1.00 1.00 H new ATOM 0 HD21 LEU A 19 66.822 5.223 -10.069 1.00 1.00 H new ATOM 0 HD22 LEU A 19 67.411 6.237 -11.408 1.00 1.00 H new ATOM 0 HD23 LEU A 19 65.708 5.721 -11.365 1.00 1.00 H new ATOM 321 N GLU A 20 64.361 3.166 -14.717 1.00 1.00 N ATOM 322 CA GLU A 20 62.953 2.782 -14.607 1.00 1.00 C ATOM 323 C GLU A 20 62.792 1.321 -15.023 1.00 1.00 C ATOM 324 O GLU A 20 62.178 0.523 -14.316 1.00 1.00 O ATOM 325 CB GLU A 20 62.131 3.680 -15.533 1.00 1.00 C ATOM 326 CG GLU A 20 62.118 5.124 -14.990 1.00 1.00 C ATOM 327 CD GLU A 20 61.151 5.243 -13.815 1.00 1.00 C ATOM 328 OE1 GLU A 20 60.020 4.810 -13.957 1.00 1.00 O ATOM 329 OE2 GLU A 20 61.556 5.767 -12.790 1.00 1.00 O ATOM 0 H GLU A 20 64.552 3.859 -15.440 1.00 1.00 H new ATOM 0 HA GLU A 20 62.609 2.897 -13.579 1.00 1.00 H new ATOM 0 HB2 GLU A 20 62.553 3.664 -16.538 1.00 1.00 H new ATOM 0 HB3 GLU A 20 61.112 3.302 -15.609 1.00 1.00 H new ATOM 0 HG2 GLU A 20 63.121 5.409 -14.674 1.00 1.00 H new ATOM 0 HG3 GLU A 20 61.825 5.814 -15.781 1.00 1.00 H new ATOM 336 N ARG A 21 63.272 1.013 -16.211 1.00 1.00 N ATOM 337 CA ARG A 21 63.092 -0.334 -16.760 1.00 1.00 C ATOM 338 C ARG A 21 63.480 -1.398 -15.718 1.00 1.00 C ATOM 339 O ARG A 21 62.740 -2.360 -15.516 1.00 1.00 O ATOM 340 CB ARG A 21 63.952 -0.508 -18.015 1.00 1.00 C ATOM 341 CG ARG A 21 63.678 -1.887 -18.638 1.00 1.00 C ATOM 342 CD ARG A 21 64.368 -2.009 -20.007 1.00 1.00 C ATOM 343 NE ARG A 21 64.157 -3.343 -20.560 1.00 1.00 N ATOM 344 CZ ARG A 21 64.755 -3.723 -21.685 1.00 1.00 C ATOM 345 NH1 ARG A 21 65.552 -2.900 -22.309 1.00 1.00 N ATOM 346 NH2 ARG A 21 64.546 -4.920 -22.165 1.00 1.00 N ATOM 0 H ARG A 21 63.783 1.658 -16.813 1.00 1.00 H new ATOM 0 HA ARG A 21 62.041 -0.462 -17.020 1.00 1.00 H new ATOM 0 HB2 ARG A 21 63.727 0.279 -18.735 1.00 1.00 H new ATOM 0 HB3 ARG A 21 65.008 -0.415 -17.761 1.00 1.00 H new ATOM 0 HG2 ARG A 21 64.038 -2.671 -17.972 1.00 1.00 H new ATOM 0 HG3 ARG A 21 62.604 -2.034 -18.752 1.00 1.00 H new ATOM 0 HD2 ARG A 21 63.972 -1.257 -20.690 1.00 1.00 H new ATOM 0 HD3 ARG A 21 65.436 -1.815 -19.903 1.00 1.00 H new ATOM 0 HE ARG A 21 63.540 -3.995 -20.075 1.00 1.00 H new ATOM 0 HH11 ARG A 21 65.716 -1.966 -21.934 1.00 1.00 H new ATOM 0 HH12 ARG A 21 66.011 -3.191 -23.172 1.00 1.00 H new ATOM 0 HH21 ARG A 21 63.924 -5.564 -21.677 1.00 1.00 H new ATOM 0 HH22 ARG A 21 65.005 -5.211 -23.028 1.00 1.00 H new ATOM 360 N VAL A 22 64.625 -1.235 -15.065 1.00 1.00 N ATOM 361 CA VAL A 22 65.069 -2.207 -14.060 1.00 1.00 C ATOM 362 C VAL A 22 64.185 -2.185 -12.791 1.00 1.00 C ATOM 363 O VAL A 22 63.784 -3.231 -12.286 1.00 1.00 O ATOM 364 CB VAL A 22 66.528 -1.884 -13.701 1.00 1.00 C ATOM 365 CG1 VAL A 22 67.003 -2.748 -12.526 1.00 1.00 C ATOM 366 CG2 VAL A 22 67.415 -2.152 -14.925 1.00 1.00 C ATOM 0 H VAL A 22 65.260 -0.450 -15.208 1.00 1.00 H new ATOM 0 HA VAL A 22 64.984 -3.210 -14.477 1.00 1.00 H new ATOM 0 HB VAL A 22 66.596 -0.836 -13.408 1.00 1.00 H new ATOM 0 HG11 VAL A 22 68.038 -2.503 -12.289 1.00 1.00 H new ATOM 0 HG12 VAL A 22 66.376 -2.555 -11.656 1.00 1.00 H new ATOM 0 HG13 VAL A 22 66.933 -3.801 -12.797 1.00 1.00 H new ATOM 0 HG21 VAL A 22 68.452 -1.925 -14.679 1.00 1.00 H new ATOM 0 HG22 VAL A 22 67.331 -3.200 -15.213 1.00 1.00 H new ATOM 0 HG23 VAL A 22 67.092 -1.521 -15.753 1.00 1.00 H new ATOM 376 N ILE A 23 63.983 -0.996 -12.231 1.00 1.00 N ATOM 377 CA ILE A 23 63.258 -0.888 -10.947 1.00 1.00 C ATOM 378 C ILE A 23 61.994 -1.789 -10.946 1.00 1.00 C ATOM 379 O ILE A 23 61.770 -2.514 -9.980 1.00 1.00 O ATOM 380 CB ILE A 23 62.886 0.590 -10.633 1.00 1.00 C ATOM 381 CG1 ILE A 23 64.166 1.393 -10.250 1.00 1.00 C ATOM 382 CG2 ILE A 23 61.894 0.651 -9.449 1.00 1.00 C ATOM 383 CD1 ILE A 23 63.920 2.896 -10.442 1.00 1.00 C ATOM 0 H ILE A 23 64.297 -0.109 -12.625 1.00 1.00 H new ATOM 0 HA ILE A 23 63.924 -1.239 -10.159 1.00 1.00 H new ATOM 0 HB ILE A 23 62.427 1.024 -11.521 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.436 1.190 -9.214 1.00 1.00 H new ATOM 0 HG13 ILE A 23 65.005 1.072 -10.867 1.00 1.00 H new ATOM 0 HG21 ILE A 23 61.642 1.690 -9.239 1.00 1.00 H new ATOM 0 HG22 ILE A 23 60.988 0.102 -9.705 1.00 1.00 H new ATOM 0 HG23 ILE A 23 62.352 0.204 -8.567 1.00 1.00 H new ATOM 0 HD11 ILE A 23 64.819 3.449 -10.172 1.00 1.00 H new ATOM 0 HD12 ILE A 23 63.672 3.094 -11.485 1.00 1.00 H new ATOM 0 HD13 ILE A 23 63.094 3.214 -9.806 1.00 1.00 H new ATOM 395 N GLU A 24 61.186 -1.774 -12.001 1.00 1.00 N ATOM 396 CA GLU A 24 59.995 -2.639 -12.028 1.00 1.00 C ATOM 397 C GLU A 24 60.413 -4.114 -11.937 1.00 1.00 C ATOM 398 O GLU A 24 59.716 -4.951 -11.367 1.00 1.00 O ATOM 399 CB GLU A 24 59.197 -2.403 -13.318 1.00 1.00 C ATOM 400 CG GLU A 24 58.000 -3.362 -13.371 1.00 1.00 C ATOM 401 CD GLU A 24 57.039 -2.949 -14.484 1.00 1.00 C ATOM 402 OE1 GLU A 24 57.102 -1.806 -14.905 1.00 1.00 O ATOM 403 OE2 GLU A 24 56.252 -3.785 -14.898 1.00 1.00 O ATOM 0 H GLU A 24 61.320 -1.194 -12.829 1.00 1.00 H new ATOM 0 HA GLU A 24 59.366 -2.393 -11.173 1.00 1.00 H new ATOM 0 HB2 GLU A 24 58.850 -1.371 -13.358 1.00 1.00 H new ATOM 0 HB3 GLU A 24 59.838 -2.558 -14.186 1.00 1.00 H new ATOM 0 HG2 GLU A 24 58.349 -4.381 -13.542 1.00 1.00 H new ATOM 0 HG3 GLU A 24 57.480 -3.359 -12.413 1.00 1.00 H new ATOM 410 N LYS A 25 61.561 -4.394 -12.527 1.00 1.00 N ATOM 411 CA LYS A 25 62.069 -5.777 -12.517 1.00 1.00 C ATOM 412 C LYS A 25 62.191 -6.225 -11.046 1.00 1.00 C ATOM 413 O LYS A 25 61.624 -7.243 -10.654 1.00 1.00 O ATOM 414 CB LYS A 25 63.422 -5.909 -13.275 1.00 1.00 C ATOM 415 CG LYS A 25 63.687 -7.397 -13.616 1.00 1.00 C ATOM 416 CD LYS A 25 65.038 -7.582 -14.356 1.00 1.00 C ATOM 417 CE LYS A 25 65.114 -6.684 -15.607 1.00 1.00 C ATOM 418 NZ LYS A 25 66.117 -7.244 -16.555 1.00 1.00 N ATOM 0 H LYS A 25 62.152 -3.715 -13.008 1.00 1.00 H new ATOM 0 HA LYS A 25 61.373 -6.427 -13.047 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.397 -5.315 -14.189 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.233 -5.516 -12.662 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.690 -7.986 -12.699 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.876 -7.778 -14.237 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.861 -7.343 -13.682 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.157 -8.626 -14.646 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.137 -6.625 -16.086 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.392 -5.669 -15.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.171 -6.640 -17.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.049 -7.278 -16.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 65.833 -8.205 -16.833 1.00 1.00 H new ATOM 432 N ASN A 26 62.945 -5.463 -10.253 1.00 1.00 N ATOM 433 CA ASN A 26 63.173 -5.767 -8.842 1.00 1.00 C ATOM 434 C ASN A 26 61.873 -6.065 -8.102 1.00 1.00 C ATOM 435 O ASN A 26 61.818 -6.863 -7.186 1.00 1.00 O ATOM 436 CB ASN A 26 63.795 -4.513 -8.212 1.00 1.00 C ATOM 437 CG ASN A 26 65.202 -4.315 -8.766 1.00 1.00 C ATOM 438 OD1 ASN A 26 66.179 -4.726 -8.137 1.00 1.00 O ATOM 439 ND2 ASN A 26 65.366 -3.730 -9.918 1.00 1.00 N ATOM 0 H ASN A 26 63.415 -4.616 -10.573 1.00 1.00 H new ATOM 0 HA ASN A 26 63.812 -6.647 -8.768 1.00 1.00 H new ATOM 0 HB2 ASN A 26 63.180 -3.640 -8.429 1.00 1.00 H new ATOM 0 HB3 ASN A 26 63.830 -4.616 -7.127 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.304 -3.611 -10.301 1.00 1.00 H new ATOM 0 HD22 ASN A 26 64.556 -3.390 -10.437 1.00 1.00 H new ATOM 446 N LYS A 27 60.836 -5.395 -8.535 1.00 1.00 N ATOM 447 CA LYS A 27 59.545 -5.566 -7.875 1.00 1.00 C ATOM 448 C LYS A 27 59.169 -7.064 -7.880 1.00 1.00 C ATOM 449 O LYS A 27 59.007 -7.687 -6.831 1.00 1.00 O ATOM 450 CB LYS A 27 58.504 -4.740 -8.639 1.00 1.00 C ATOM 451 CG LYS A 27 57.251 -4.499 -7.780 1.00 1.00 C ATOM 452 CD LYS A 27 56.258 -3.682 -8.605 1.00 1.00 C ATOM 453 CE LYS A 27 54.951 -3.544 -7.824 1.00 1.00 C ATOM 454 NZ LYS A 27 55.254 -3.113 -6.431 1.00 1.00 N ATOM 0 H LYS A 27 60.845 -4.741 -9.318 1.00 1.00 H new ATOM 0 HA LYS A 27 59.587 -5.225 -6.840 1.00 1.00 H new ATOM 0 HB2 LYS A 27 58.937 -3.784 -8.932 1.00 1.00 H new ATOM 0 HB3 LYS A 27 58.226 -5.258 -9.557 1.00 1.00 H new ATOM 0 HG2 LYS A 27 56.807 -5.448 -7.481 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.513 -3.968 -6.865 1.00 1.00 H new ATOM 0 HD2 LYS A 27 56.671 -2.697 -8.823 1.00 1.00 H new ATOM 0 HD3 LYS A 27 56.074 -4.170 -9.562 1.00 1.00 H new ATOM 0 HE2 LYS A 27 54.299 -2.817 -8.308 1.00 1.00 H new ATOM 0 HE3 LYS A 27 54.417 -4.494 -7.815 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.423 -2.636 -6.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.490 -3.945 -5.854 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 56.061 -2.457 -6.438 1.00 1.00 H new ATOM 468 N TYR A 28 58.987 -7.594 -9.074 1.00 1.00 N ATOM 469 CA TYR A 28 58.574 -8.982 -9.252 1.00 1.00 C ATOM 470 C TYR A 28 59.623 -9.987 -8.730 1.00 1.00 C ATOM 471 O TYR A 28 59.494 -11.187 -8.974 1.00 1.00 O ATOM 472 CB TYR A 28 58.259 -9.237 -10.747 1.00 1.00 C ATOM 473 CG TYR A 28 56.897 -8.649 -11.102 1.00 1.00 C ATOM 474 CD1 TYR A 28 55.732 -9.293 -10.662 1.00 1.00 C ATOM 475 CD2 TYR A 28 56.798 -7.466 -11.852 1.00 1.00 C ATOM 476 CE1 TYR A 28 54.475 -8.758 -10.968 1.00 1.00 C ATOM 477 CE2 TYR A 28 55.538 -6.934 -12.159 1.00 1.00 C ATOM 478 CZ TYR A 28 54.378 -7.581 -11.716 1.00 1.00 C ATOM 479 OH TYR A 28 53.138 -7.055 -12.015 1.00 1.00 O ATOM 0 H TYR A 28 59.119 -7.082 -9.946 1.00 1.00 H new ATOM 0 HA TYR A 28 57.676 -9.142 -8.655 1.00 1.00 H new ATOM 0 HB2 TYR A 28 59.032 -8.788 -11.371 1.00 1.00 H new ATOM 0 HB3 TYR A 28 58.266 -10.308 -10.951 1.00 1.00 H new ATOM 0 HD1 TYR A 28 55.804 -10.204 -10.086 1.00 1.00 H new ATOM 0 HD2 TYR A 28 57.693 -6.966 -12.192 1.00 1.00 H new ATOM 0 HE1 TYR A 28 53.579 -9.255 -10.626 1.00 1.00 H new ATOM 0 HE2 TYR A 28 55.462 -6.025 -12.737 1.00 1.00 H new ATOM 0 HH TYR A 28 53.248 -6.235 -12.540 1.00 1.00 H new ATOM 489 N GLU A 29 60.663 -9.515 -8.017 1.00 1.00 N ATOM 490 CA GLU A 29 61.708 -10.430 -7.492 1.00 1.00 C ATOM 491 C GLU A 29 62.335 -9.917 -6.177 1.00 1.00 C ATOM 492 O GLU A 29 63.233 -10.547 -5.617 1.00 1.00 O ATOM 493 CB GLU A 29 62.779 -10.624 -8.569 1.00 1.00 C ATOM 494 CG GLU A 29 63.500 -9.313 -8.825 1.00 1.00 C ATOM 495 CD GLU A 29 64.443 -9.452 -10.017 1.00 1.00 C ATOM 496 OE1 GLU A 29 64.627 -10.569 -10.476 1.00 1.00 O ATOM 497 OE2 GLU A 29 64.969 -8.440 -10.452 1.00 1.00 O ATOM 0 H GLU A 29 60.806 -8.530 -7.792 1.00 1.00 H new ATOM 0 HA GLU A 29 61.241 -11.385 -7.253 1.00 1.00 H new ATOM 0 HB2 GLU A 29 63.492 -11.385 -8.252 1.00 1.00 H new ATOM 0 HB3 GLU A 29 62.320 -10.982 -9.490 1.00 1.00 H new ATOM 0 HG2 GLU A 29 62.775 -8.522 -9.017 1.00 1.00 H new ATOM 0 HG3 GLU A 29 64.063 -9.021 -7.939 1.00 1.00 H new ATOM 504 N LEU A 30 61.812 -8.795 -5.682 1.00 1.00 N ATOM 505 CA LEU A 30 62.234 -8.165 -4.417 1.00 1.00 C ATOM 506 C LEU A 30 60.937 -8.026 -3.601 1.00 1.00 C ATOM 507 O LEU A 30 60.153 -8.974 -3.608 1.00 1.00 O ATOM 508 CB LEU A 30 62.866 -6.789 -4.747 1.00 1.00 C ATOM 509 CG LEU A 30 63.690 -6.199 -3.584 1.00 1.00 C ATOM 510 CD1 LEU A 30 64.881 -7.123 -3.187 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.237 -4.819 -4.022 1.00 1.00 C ATOM 0 H LEU A 30 61.067 -8.283 -6.154 1.00 1.00 H new ATOM 0 HA LEU A 30 62.978 -8.734 -3.859 1.00 1.00 H new ATOM 0 HB2 LEU A 30 63.508 -6.893 -5.622 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.075 -6.089 -5.014 1.00 1.00 H new ATOM 0 HG LEU A 30 63.041 -6.106 -2.713 1.00 1.00 H new ATOM 0 HD11 LEU A 30 65.435 -6.670 -2.365 1.00 1.00 H new ATOM 0 HD12 LEU A 30 64.499 -8.095 -2.875 1.00 1.00 H new ATOM 0 HD13 LEU A 30 65.543 -7.251 -4.043 1.00 1.00 H new ATOM 0 HD21 LEU A 30 64.823 -4.386 -3.211 1.00 1.00 H new ATOM 0 HD22 LEU A 30 64.869 -4.941 -4.902 1.00 1.00 H new ATOM 0 HD23 LEU A 30 63.405 -4.157 -4.262 1.00 1.00 H new ATOM 523 N SER A 31 60.644 -6.848 -3.000 1.00 1.00 N ATOM 524 CA SER A 31 59.359 -6.639 -2.323 1.00 1.00 C ATOM 525 C SER A 31 59.390 -5.405 -1.415 1.00 1.00 C ATOM 526 O SER A 31 60.441 -4.898 -1.034 1.00 1.00 O ATOM 527 CB SER A 31 58.854 -7.896 -1.572 1.00 1.00 C ATOM 528 OG SER A 31 59.964 -8.609 -1.047 1.00 1.00 O ATOM 0 H SER A 31 61.273 -6.046 -2.974 1.00 1.00 H new ATOM 0 HA SER A 31 58.630 -6.449 -3.111 1.00 1.00 H new ATOM 0 HB2 SER A 31 58.180 -7.605 -0.766 1.00 1.00 H new ATOM 0 HB3 SER A 31 58.285 -8.534 -2.249 1.00 1.00 H new ATOM 0 HG SER A 31 60.272 -9.266 -1.706 1.00 1.00 H new ATOM 534 N ASP A 32 58.187 -4.893 -1.194 1.00 1.00 N ATOM 535 CA ASP A 32 57.996 -3.640 -0.456 1.00 1.00 C ATOM 536 C ASP A 32 58.988 -3.535 0.734 1.00 1.00 C ATOM 537 O ASP A 32 59.696 -2.538 0.878 1.00 1.00 O ATOM 538 CB ASP A 32 56.557 -3.602 0.052 1.00 1.00 C ATOM 539 CG ASP A 32 56.332 -2.408 0.979 1.00 1.00 C ATOM 540 OD1 ASP A 32 56.909 -1.365 0.721 1.00 1.00 O ATOM 541 OD2 ASP A 32 55.585 -2.558 1.932 1.00 1.00 O ATOM 0 H ASP A 32 57.321 -5.325 -1.515 1.00 1.00 H new ATOM 0 HA ASP A 32 58.189 -2.795 -1.117 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.871 -3.544 -0.793 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.331 -4.527 0.583 1.00 1.00 H new ATOM 546 N ASP A 33 58.967 -4.532 1.603 1.00 1.00 N ATOM 547 CA ASP A 33 59.785 -4.550 2.825 1.00 1.00 C ATOM 548 C ASP A 33 61.259 -4.159 2.583 1.00 1.00 C ATOM 549 O ASP A 33 61.936 -3.478 3.356 1.00 1.00 O ATOM 550 CB ASP A 33 59.836 -6.032 3.237 1.00 1.00 C ATOM 551 CG ASP A 33 60.537 -6.178 4.583 1.00 1.00 C ATOM 552 OD1 ASP A 33 61.754 -6.266 4.590 1.00 1.00 O ATOM 553 OD2 ASP A 33 59.846 -6.203 5.588 1.00 1.00 O ATOM 0 H ASP A 33 58.382 -5.360 1.489 1.00 1.00 H new ATOM 0 HA ASP A 33 59.354 -3.853 3.544 1.00 1.00 H new ATOM 0 HB2 ASP A 33 58.825 -6.435 3.299 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.364 -6.610 2.479 1.00 1.00 H new ATOM 558 N GLU A 34 61.665 -4.691 1.435 1.00 1.00 N ATOM 559 CA GLU A 34 63.015 -4.560 0.872 1.00 1.00 C ATOM 560 C GLU A 34 63.194 -3.252 0.067 1.00 1.00 C ATOM 561 O GLU A 34 64.217 -2.577 0.178 1.00 1.00 O ATOM 562 CB GLU A 34 63.319 -5.820 0.026 1.00 1.00 C ATOM 563 CG GLU A 34 63.763 -6.991 0.923 1.00 1.00 C ATOM 564 CD GLU A 34 63.805 -8.285 0.115 1.00 1.00 C ATOM 565 OE1 GLU A 34 62.747 -8.841 -0.132 1.00 1.00 O ATOM 566 OE2 GLU A 34 64.894 -8.699 -0.245 1.00 1.00 O ATOM 0 H GLU A 34 61.045 -5.246 0.846 1.00 1.00 H new ATOM 0 HA GLU A 34 63.737 -4.492 1.686 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.432 -6.106 -0.539 1.00 1.00 H new ATOM 0 HB3 GLU A 34 64.101 -5.596 -0.700 1.00 1.00 H new ATOM 0 HG2 GLU A 34 64.747 -6.784 1.344 1.00 1.00 H new ATOM 0 HG3 GLU A 34 63.074 -7.099 1.761 1.00 1.00 H new ATOM 573 N LEU A 35 62.249 -2.989 -0.828 1.00 1.00 N ATOM 574 CA LEU A 35 62.338 -1.862 -1.769 1.00 1.00 C ATOM 575 C LEU A 35 62.887 -0.584 -1.102 1.00 1.00 C ATOM 576 O LEU A 35 63.324 0.324 -1.811 1.00 1.00 O ATOM 577 CB LEU A 35 60.901 -1.572 -2.342 1.00 1.00 C ATOM 578 CG LEU A 35 60.655 -2.121 -3.780 1.00 1.00 C ATOM 579 CD1 LEU A 35 61.560 -1.420 -4.814 1.00 1.00 C ATOM 580 CD2 LEU A 35 60.824 -3.659 -3.848 1.00 1.00 C ATOM 0 H LEU A 35 61.399 -3.545 -0.928 1.00 1.00 H new ATOM 0 HA LEU A 35 63.031 -2.139 -2.564 1.00 1.00 H new ATOM 0 HB2 LEU A 35 60.161 -2.006 -1.670 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.736 -0.495 -2.345 1.00 1.00 H new ATOM 0 HG LEU A 35 59.619 -1.895 -4.033 1.00 1.00 H new ATOM 0 HD11 LEU A 35 61.362 -1.827 -5.806 1.00 1.00 H new ATOM 0 HD12 LEU A 35 61.353 -0.350 -4.813 1.00 1.00 H new ATOM 0 HD13 LEU A 35 62.606 -1.587 -4.555 1.00 1.00 H new ATOM 0 HD21 LEU A 35 60.644 -4.000 -4.867 1.00 1.00 H new ATOM 0 HD22 LEU A 35 61.837 -3.927 -3.549 1.00 1.00 H new ATOM 0 HD23 LEU A 35 60.110 -4.134 -3.175 1.00 1.00 H new ATOM 592 N GLU A 36 62.832 -0.462 0.234 1.00 1.00 N ATOM 593 CA GLU A 36 63.302 0.788 0.852 1.00 1.00 C ATOM 594 C GLU A 36 64.741 1.047 0.374 1.00 1.00 C ATOM 595 O GLU A 36 65.176 2.152 0.080 1.00 1.00 O ATOM 596 CB GLU A 36 63.269 0.687 2.384 1.00 1.00 C ATOM 597 CG GLU A 36 61.822 0.616 2.891 1.00 1.00 C ATOM 598 CD GLU A 36 61.810 0.683 4.412 1.00 1.00 C ATOM 599 OE1 GLU A 36 62.809 1.104 4.974 1.00 1.00 O ATOM 600 OE2 GLU A 36 60.805 0.311 4.994 1.00 1.00 O ATOM 0 H GLU A 36 62.486 -1.173 0.879 1.00 1.00 H new ATOM 0 HA GLU A 36 62.648 1.609 0.559 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.817 -0.198 2.707 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.771 1.550 2.821 1.00 1.00 H new ATOM 0 HG2 GLU A 36 61.240 1.439 2.476 1.00 1.00 H new ATOM 0 HG3 GLU A 36 61.353 -0.308 2.554 1.00 1.00 H new ATOM 607 N LEU A 37 65.424 -0.091 0.351 1.00 1.00 N ATOM 608 CA LEU A 37 66.830 -0.159 -0.055 1.00 1.00 C ATOM 609 C LEU A 37 66.929 0.456 -1.449 1.00 1.00 C ATOM 610 O LEU A 37 67.734 1.348 -1.697 1.00 1.00 O ATOM 611 CB LEU A 37 67.313 -1.632 -0.123 1.00 1.00 C ATOM 612 CG LEU A 37 67.556 -2.207 1.303 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.475 -3.742 1.266 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.954 -1.811 1.826 1.00 1.00 C ATOM 0 H LEU A 37 65.024 -0.992 0.612 1.00 1.00 H new ATOM 0 HA LEU A 37 67.450 0.372 0.667 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.570 -2.238 -0.641 1.00 1.00 H new ATOM 0 HB3 LEU A 37 68.234 -1.690 -0.704 1.00 1.00 H new ATOM 0 HG LEU A 37 66.791 -1.798 1.963 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.646 -4.140 2.266 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.488 -4.046 0.918 1.00 1.00 H new ATOM 0 HD13 LEU A 37 68.234 -4.130 0.587 1.00 1.00 H new ATOM 0 HD21 LEU A 37 69.100 -2.225 2.824 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.718 -2.204 1.155 1.00 1.00 H new ATOM 0 HD23 LEU A 37 69.032 -0.725 1.869 1.00 1.00 H new ATOM 626 N PHE A 38 66.120 -0.062 -2.350 1.00 1.00 N ATOM 627 CA PHE A 38 66.103 0.370 -3.743 1.00 1.00 C ATOM 628 C PHE A 38 65.685 1.844 -3.897 1.00 1.00 C ATOM 629 O PHE A 38 66.229 2.569 -4.718 1.00 1.00 O ATOM 630 CB PHE A 38 65.115 -0.580 -4.520 1.00 1.00 C ATOM 631 CG PHE A 38 65.768 -1.157 -5.752 1.00 1.00 C ATOM 632 CD1 PHE A 38 66.640 -2.231 -5.610 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.522 -0.607 -7.007 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.277 -2.764 -6.721 1.00 1.00 C ATOM 635 CE2 PHE A 38 66.152 -1.139 -8.128 1.00 1.00 C ATOM 636 CZ PHE A 38 67.035 -2.218 -7.989 1.00 1.00 C ATOM 0 H PHE A 38 65.449 -0.801 -2.140 1.00 1.00 H new ATOM 0 HA PHE A 38 67.110 0.304 -4.154 1.00 1.00 H new ATOM 0 HB2 PHE A 38 64.792 -1.388 -3.864 1.00 1.00 H new ATOM 0 HB3 PHE A 38 64.221 -0.025 -4.805 1.00 1.00 H new ATOM 0 HD1 PHE A 38 66.822 -2.651 -4.632 1.00 1.00 H new ATOM 0 HD2 PHE A 38 64.845 0.229 -7.110 1.00 1.00 H new ATOM 0 HE1 PHE A 38 67.956 -3.596 -6.609 1.00 1.00 H new ATOM 0 HE2 PHE A 38 65.960 -0.720 -9.105 1.00 1.00 H new ATOM 0 HZ PHE A 38 67.528 -2.628 -8.858 1.00 1.00 H new ATOM 646 N TYR A 39 64.743 2.267 -3.067 1.00 1.00 N ATOM 647 CA TYR A 39 64.298 3.679 -3.108 1.00 1.00 C ATOM 648 C TYR A 39 65.331 4.566 -2.426 1.00 1.00 C ATOM 649 O TYR A 39 65.859 5.498 -3.032 1.00 1.00 O ATOM 650 CB TYR A 39 62.890 3.867 -2.523 1.00 1.00 C ATOM 651 CG TYR A 39 61.851 3.414 -3.543 1.00 1.00 C ATOM 652 CD1 TYR A 39 61.733 4.087 -4.772 1.00 1.00 C ATOM 653 CD2 TYR A 39 61.022 2.316 -3.271 1.00 1.00 C ATOM 654 CE1 TYR A 39 60.789 3.659 -5.717 1.00 1.00 C ATOM 655 CE2 TYR A 39 60.083 1.890 -4.217 1.00 1.00 C ATOM 656 CZ TYR A 39 59.968 2.560 -5.440 1.00 1.00 C ATOM 657 OH TYR A 39 59.041 2.139 -6.373 1.00 1.00 O ATOM 0 H TYR A 39 64.276 1.685 -2.372 1.00 1.00 H new ATOM 0 HA TYR A 39 64.222 3.982 -4.152 1.00 1.00 H new ATOM 0 HB2 TYR A 39 62.787 3.292 -1.603 1.00 1.00 H new ATOM 0 HB3 TYR A 39 62.729 4.913 -2.264 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.369 4.933 -4.988 1.00 1.00 H new ATOM 0 HD2 TYR A 39 61.109 1.797 -2.328 1.00 1.00 H new ATOM 0 HE1 TYR A 39 60.696 4.178 -6.659 1.00 1.00 H new ATOM 0 HE2 TYR A 39 59.447 1.044 -4.003 1.00 1.00 H new ATOM 0 HH TYR A 39 58.554 1.364 -6.024 1.00 1.00 H new ATOM 667 N SER A 40 65.609 4.276 -1.184 1.00 1.00 N ATOM 668 CA SER A 40 66.575 5.044 -0.421 1.00 1.00 C ATOM 669 C SER A 40 67.928 5.105 -1.135 1.00 1.00 C ATOM 670 O SER A 40 68.629 6.112 -1.083 1.00 1.00 O ATOM 671 CB SER A 40 66.747 4.371 0.938 1.00 1.00 C ATOM 672 OG SER A 40 67.487 5.223 1.804 1.00 1.00 O ATOM 0 H SER A 40 65.180 3.508 -0.669 1.00 1.00 H new ATOM 0 HA SER A 40 66.212 6.066 -0.309 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.772 4.153 1.373 1.00 1.00 H new ATOM 0 HB3 SER A 40 67.264 3.418 0.820 1.00 1.00 H new ATOM 0 HG SER A 40 67.595 4.789 2.676 1.00 1.00 H new ATOM 678 N ALA A 41 68.286 3.993 -1.787 1.00 1.00 N ATOM 679 CA ALA A 41 69.591 3.913 -2.498 1.00 1.00 C ATOM 680 C ALA A 41 69.541 4.593 -3.880 1.00 1.00 C ATOM 681 O ALA A 41 70.366 5.449 -4.183 1.00 1.00 O ATOM 682 CB ALA A 41 70.046 2.459 -2.639 1.00 1.00 C ATOM 0 H ALA A 41 67.715 3.150 -1.844 1.00 1.00 H new ATOM 0 HA ALA A 41 70.317 4.453 -1.891 1.00 1.00 H new ATOM 0 HB1 ALA A 41 71.002 2.426 -3.162 1.00 1.00 H new ATOM 0 HB2 ALA A 41 70.158 2.015 -1.650 1.00 1.00 H new ATOM 0 HB3 ALA A 41 69.303 1.899 -3.206 1.00 1.00 H new ATOM 688 N ALA A 42 68.639 4.130 -4.743 1.00 1.00 N ATOM 689 CA ALA A 42 68.565 4.616 -6.131 1.00 1.00 C ATOM 690 C ALA A 42 68.518 6.145 -6.278 1.00 1.00 C ATOM 691 O ALA A 42 69.054 6.699 -7.235 1.00 1.00 O ATOM 692 CB ALA A 42 67.283 4.069 -6.771 1.00 1.00 C ATOM 0 H ALA A 42 67.946 3.418 -4.511 1.00 1.00 H new ATOM 0 HA ALA A 42 69.480 4.271 -6.613 1.00 1.00 H new ATOM 0 HB1 ALA A 42 67.212 4.420 -7.801 1.00 1.00 H new ATOM 0 HB2 ALA A 42 67.307 2.979 -6.760 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.418 4.419 -6.208 1.00 1.00 H new ATOM 698 N ASP A 43 67.838 6.819 -5.361 1.00 1.00 N ATOM 699 CA ASP A 43 67.696 8.274 -5.445 1.00 1.00 C ATOM 700 C ASP A 43 69.088 8.920 -5.591 1.00 1.00 C ATOM 701 O ASP A 43 69.296 9.804 -6.417 1.00 1.00 O ATOM 702 CB ASP A 43 66.931 8.759 -4.182 1.00 1.00 C ATOM 703 CG ASP A 43 66.006 9.951 -4.469 1.00 1.00 C ATOM 704 OD1 ASP A 43 65.998 10.431 -5.590 1.00 1.00 O ATOM 705 OD2 ASP A 43 65.315 10.362 -3.553 1.00 1.00 O ATOM 0 H ASP A 43 67.379 6.391 -4.557 1.00 1.00 H new ATOM 0 HA ASP A 43 67.121 8.571 -6.322 1.00 1.00 H new ATOM 0 HB2 ASP A 43 66.341 7.935 -3.781 1.00 1.00 H new ATOM 0 HB3 ASP A 43 67.650 9.040 -3.412 1.00 1.00 H new ATOM 710 N HIS A 44 69.995 8.500 -4.725 1.00 1.00 N ATOM 711 CA HIS A 44 71.358 9.049 -4.691 1.00 1.00 C ATOM 712 C HIS A 44 71.927 9.196 -6.121 1.00 1.00 C ATOM 713 O HIS A 44 72.596 10.176 -6.450 1.00 1.00 O ATOM 714 CB HIS A 44 72.256 8.075 -3.916 1.00 1.00 C ATOM 715 CG HIS A 44 71.952 8.124 -2.450 1.00 1.00 C ATOM 716 ND1 HIS A 44 70.952 7.369 -1.858 1.00 1.00 N ATOM 717 CD2 HIS A 44 72.545 8.816 -1.442 1.00 1.00 C ATOM 718 CE1 HIS A 44 70.983 7.631 -0.536 1.00 1.00 C ATOM 719 NE2 HIS A 44 71.939 8.508 -0.231 1.00 1.00 N ATOM 0 H HIS A 44 69.819 7.776 -4.028 1.00 1.00 H new ATOM 0 HA HIS A 44 71.330 10.029 -4.215 1.00 1.00 H new ATOM 0 HB2 HIS A 44 72.108 7.062 -4.289 1.00 1.00 H new ATOM 0 HB3 HIS A 44 73.303 8.327 -4.084 1.00 1.00 H new ATOM 0 HD1 HIS A 44 70.312 6.733 -2.334 1.00 1.00 H new ATOM 0 HD2 HIS A 44 73.368 9.505 -1.565 1.00 1.00 H new ATOM 0 HE1 HIS A 44 70.316 7.185 0.187 1.00 1.00 H new ATOM 728 N ARG A 45 71.656 8.197 -6.930 1.00 1.00 N ATOM 729 CA ARG A 45 72.110 8.116 -8.324 1.00 1.00 C ATOM 730 C ARG A 45 71.356 9.099 -9.256 1.00 1.00 C ATOM 731 O ARG A 45 71.726 9.279 -10.406 1.00 1.00 O ATOM 732 CB ARG A 45 71.944 6.650 -8.799 1.00 1.00 C ATOM 733 CG ARG A 45 72.272 6.462 -10.303 1.00 1.00 C ATOM 734 CD ARG A 45 73.679 6.996 -10.703 1.00 1.00 C ATOM 735 NE ARG A 45 73.961 6.652 -12.093 1.00 1.00 N ATOM 736 CZ ARG A 45 75.196 6.708 -12.584 1.00 1.00 C ATOM 737 NH1 ARG A 45 76.199 7.010 -11.804 1.00 1.00 N ATOM 738 NH2 ARG A 45 75.402 6.457 -13.845 1.00 1.00 N ATOM 0 H ARG A 45 71.100 7.392 -6.642 1.00 1.00 H new ATOM 0 HA ARG A 45 73.157 8.414 -8.372 1.00 1.00 H new ATOM 0 HB2 ARG A 45 72.594 6.006 -8.207 1.00 1.00 H new ATOM 0 HB3 ARG A 45 70.920 6.327 -8.613 1.00 1.00 H new ATOM 0 HG2 ARG A 45 72.210 5.402 -10.551 1.00 1.00 H new ATOM 0 HG3 ARG A 45 71.515 6.973 -10.898 1.00 1.00 H new ATOM 0 HD2 ARG A 45 73.719 8.077 -10.571 1.00 1.00 H new ATOM 0 HD3 ARG A 45 74.440 6.567 -10.051 1.00 1.00 H new ATOM 0 HE ARG A 45 73.195 6.362 -12.701 1.00 1.00 H new ATOM 0 HH11 ARG A 45 76.036 7.204 -10.816 1.00 1.00 H new ATOM 0 HH12 ARG A 45 77.145 7.052 -12.183 1.00 1.00 H new ATOM 0 HH21 ARG A 45 74.618 6.219 -14.452 1.00 1.00 H new ATOM 0 HH22 ARG A 45 76.347 6.499 -14.226 1.00 1.00 H new ATOM 752 N LEU A 46 70.286 9.730 -8.772 1.00 1.00 N ATOM 753 CA LEU A 46 69.512 10.671 -9.621 1.00 1.00 C ATOM 754 C LEU A 46 70.168 12.072 -9.801 1.00 1.00 C ATOM 755 O LEU A 46 70.280 12.556 -10.927 1.00 1.00 O ATOM 756 CB LEU A 46 68.088 10.813 -9.041 1.00 1.00 C ATOM 757 CG LEU A 46 67.084 11.442 -10.091 1.00 1.00 C ATOM 758 CD1 LEU A 46 65.684 10.809 -9.971 1.00 1.00 C ATOM 759 CD2 LEU A 46 66.950 12.956 -9.867 1.00 1.00 C ATOM 0 H LEU A 46 69.932 9.619 -7.822 1.00 1.00 H new ATOM 0 HA LEU A 46 69.488 10.240 -10.622 1.00 1.00 H new ATOM 0 HB2 LEU A 46 67.723 9.834 -8.731 1.00 1.00 H new ATOM 0 HB3 LEU A 46 68.120 11.439 -8.149 1.00 1.00 H new ATOM 0 HG LEU A 46 67.488 11.243 -11.084 1.00 1.00 H new ATOM 0 HD11 LEU A 46 65.016 11.261 -10.705 1.00 1.00 H new ATOM 0 HD12 LEU A 46 65.753 9.737 -10.155 1.00 1.00 H new ATOM 0 HD13 LEU A 46 65.292 10.981 -8.969 1.00 1.00 H new ATOM 0 HD21 LEU A 46 66.256 13.372 -10.598 1.00 1.00 H new ATOM 0 HD22 LEU A 46 66.573 13.143 -8.861 1.00 1.00 H new ATOM 0 HD23 LEU A 46 67.925 13.429 -9.983 1.00 1.00 H new ATOM 771 N ALA A 47 70.560 12.732 -8.701 1.00 1.00 N ATOM 772 CA ALA A 47 71.153 14.095 -8.779 1.00 1.00 C ATOM 773 C ALA A 47 72.453 14.115 -9.605 1.00 1.00 C ATOM 774 O ALA A 47 72.716 15.030 -10.380 1.00 1.00 O ATOM 775 CB ALA A 47 71.436 14.610 -7.372 1.00 1.00 C ATOM 0 H ALA A 47 70.483 12.359 -7.755 1.00 1.00 H new ATOM 0 HA ALA A 47 70.432 14.740 -9.280 1.00 1.00 H new ATOM 0 HB1 ALA A 47 71.870 15.608 -7.430 1.00 1.00 H new ATOM 0 HB2 ALA A 47 70.506 14.652 -6.806 1.00 1.00 H new ATOM 0 HB3 ALA A 47 72.135 13.939 -6.873 1.00 1.00 H new ATOM 781 N GLU A 48 73.218 13.062 -9.449 1.00 1.00 N ATOM 782 CA GLU A 48 74.452 12.939 -10.233 1.00 1.00 C ATOM 783 C GLU A 48 74.030 12.909 -11.719 1.00 1.00 C ATOM 784 O GLU A 48 74.510 13.708 -12.524 1.00 1.00 O ATOM 785 CB GLU A 48 75.343 11.755 -9.763 1.00 1.00 C ATOM 786 CG GLU A 48 74.860 10.390 -10.276 1.00 1.00 C ATOM 787 CD GLU A 48 75.470 10.052 -11.644 1.00 1.00 C ATOM 788 OE1 GLU A 48 74.883 10.412 -12.646 1.00 1.00 O ATOM 789 OE2 GLU A 48 76.522 9.436 -11.659 1.00 1.00 O ATOM 0 H GLU A 48 73.028 12.291 -8.809 1.00 1.00 H new ATOM 0 HA GLU A 48 75.114 13.792 -10.080 1.00 1.00 H new ATOM 0 HB2 GLU A 48 76.365 11.922 -10.102 1.00 1.00 H new ATOM 0 HB3 GLU A 48 75.367 11.738 -8.673 1.00 1.00 H new ATOM 0 HG2 GLU A 48 75.126 9.615 -9.557 1.00 1.00 H new ATOM 0 HG3 GLU A 48 73.773 10.393 -10.353 1.00 1.00 H new ATOM 796 N LEU A 49 73.126 12.001 -12.064 1.00 1.00 N ATOM 797 CA LEU A 49 72.619 11.873 -13.432 1.00 1.00 C ATOM 798 C LEU A 49 72.021 13.189 -13.935 1.00 1.00 C ATOM 799 O LEU A 49 72.120 13.510 -15.119 1.00 1.00 O ATOM 800 CB LEU A 49 71.507 10.789 -13.443 1.00 1.00 C ATOM 801 CG LEU A 49 72.116 9.358 -13.388 1.00 1.00 C ATOM 802 CD1 LEU A 49 70.980 8.349 -13.196 1.00 1.00 C ATOM 803 CD2 LEU A 49 72.905 9.022 -14.700 1.00 1.00 C ATOM 0 H LEU A 49 72.722 11.332 -11.408 1.00 1.00 H new ATOM 0 HA LEU A 49 73.449 11.601 -14.085 1.00 1.00 H new ATOM 0 HB2 LEU A 49 70.842 10.937 -12.592 1.00 1.00 H new ATOM 0 HB3 LEU A 49 70.901 10.895 -14.343 1.00 1.00 H new ATOM 0 HG LEU A 49 72.818 9.306 -12.556 1.00 1.00 H new ATOM 0 HD11 LEU A 49 71.392 7.341 -13.156 1.00 1.00 H new ATOM 0 HD12 LEU A 49 70.456 8.564 -12.265 1.00 1.00 H new ATOM 0 HD13 LEU A 49 70.283 8.423 -14.031 1.00 1.00 H new ATOM 0 HD21 LEU A 49 73.318 8.016 -14.629 1.00 1.00 H new ATOM 0 HD22 LEU A 49 72.231 9.078 -15.555 1.00 1.00 H new ATOM 0 HD23 LEU A 49 73.716 9.738 -14.830 1.00 1.00 H new ATOM 815 N THR A 50 71.384 13.934 -13.037 1.00 1.00 N ATOM 816 CA THR A 50 70.758 15.197 -13.425 1.00 1.00 C ATOM 817 C THR A 50 71.802 16.081 -14.104 1.00 1.00 C ATOM 818 O THR A 50 71.503 16.765 -15.083 1.00 1.00 O ATOM 819 CB THR A 50 70.128 15.865 -12.187 1.00 1.00 C ATOM 820 OG1 THR A 50 69.211 14.953 -11.601 1.00 1.00 O ATOM 821 CG2 THR A 50 69.375 17.177 -12.536 1.00 1.00 C ATOM 0 H THR A 50 71.287 13.692 -12.051 1.00 1.00 H new ATOM 0 HA THR A 50 69.953 15.027 -14.140 1.00 1.00 H new ATOM 0 HB THR A 50 70.934 16.122 -11.500 1.00 1.00 H new ATOM 0 HG1 THR A 50 69.699 14.181 -11.245 1.00 1.00 H new ATOM 0 HG21 THR A 50 68.951 17.606 -11.628 1.00 1.00 H new ATOM 0 HG22 THR A 50 70.070 17.888 -12.982 1.00 1.00 H new ATOM 0 HG23 THR A 50 68.574 16.960 -13.243 1.00 1.00 H new ATOM 829 N MET A 51 73.048 15.997 -13.633 1.00 1.00 N ATOM 830 CA MET A 51 74.177 16.721 -14.250 1.00 1.00 C ATOM 831 C MET A 51 74.955 15.654 -15.029 1.00 1.00 C ATOM 832 O MET A 51 74.507 15.254 -16.100 1.00 1.00 O ATOM 833 CB MET A 51 75.057 17.459 -13.180 1.00 1.00 C ATOM 834 CG MET A 51 74.720 16.981 -11.761 1.00 1.00 C ATOM 835 SD MET A 51 75.619 18.005 -10.566 1.00 1.00 S ATOM 836 CE MET A 51 77.306 17.516 -11.023 1.00 1.00 C ATOM 0 H MET A 51 73.308 15.434 -12.823 1.00 1.00 H new ATOM 0 HA MET A 51 73.839 17.520 -14.910 1.00 1.00 H new ATOM 0 HB2 MET A 51 76.112 17.280 -13.386 1.00 1.00 H new ATOM 0 HB3 MET A 51 74.897 18.535 -13.252 1.00 1.00 H new ATOM 0 HG2 MET A 51 73.647 17.051 -11.585 1.00 1.00 H new ATOM 0 HG3 MET A 51 74.995 15.933 -11.641 1.00 1.00 H new ATOM 0 HE1 MET A 51 77.952 17.577 -10.148 1.00 1.00 H new ATOM 0 HE2 MET A 51 77.299 16.493 -11.398 1.00 1.00 H new ATOM 0 HE3 MET A 51 77.681 18.184 -11.798 1.00 1.00 H new ATOM 846 N ASN A 52 76.050 15.134 -14.469 1.00 1.00 N ATOM 847 CA ASN A 52 76.775 14.051 -15.139 1.00 1.00 C ATOM 848 C ASN A 52 77.995 13.585 -14.329 1.00 1.00 C ATOM 849 O ASN A 52 78.850 12.884 -14.870 1.00 1.00 O ATOM 850 CB ASN A 52 77.220 14.456 -16.567 1.00 1.00 C ATOM 851 CG ASN A 52 77.811 15.864 -16.558 1.00 1.00 C ATOM 852 OD1 ASN A 52 77.413 16.704 -15.752 1.00 1.00 O ATOM 853 ND2 ASN A 52 78.746 16.172 -17.415 1.00 1.00 N ATOM 0 H ASN A 52 76.446 15.434 -13.578 1.00 1.00 H new ATOM 0 HA ASN A 52 76.075 13.219 -15.214 1.00 1.00 H new ATOM 0 HB2 ASN A 52 77.959 13.747 -16.940 1.00 1.00 H new ATOM 0 HB3 ASN A 52 76.368 14.416 -17.246 1.00 1.00 H new ATOM 0 HD21 ASN A 52 79.147 17.110 -17.417 1.00 1.00 H new ATOM 0 HD22 ASN A 52 79.075 15.475 -18.083 1.00 1.00 H new ATOM 860 N LYS A 53 78.089 13.964 -13.040 1.00 1.00 N ATOM 861 CA LYS A 53 79.234 13.557 -12.194 1.00 1.00 C ATOM 862 C LYS A 53 78.810 12.454 -11.220 1.00 1.00 C ATOM 863 O LYS A 53 78.136 11.502 -11.611 1.00 1.00 O ATOM 864 CB LYS A 53 79.796 14.758 -11.414 1.00 1.00 C ATOM 865 CG LYS A 53 80.191 15.894 -12.373 1.00 1.00 C ATOM 866 CD LYS A 53 81.025 16.956 -11.619 1.00 1.00 C ATOM 867 CE LYS A 53 81.449 18.057 -12.591 1.00 1.00 C ATOM 868 NZ LYS A 53 82.026 19.200 -11.825 1.00 1.00 N ATOM 0 H LYS A 53 77.398 14.543 -12.564 1.00 1.00 H new ATOM 0 HA LYS A 53 80.017 13.174 -12.848 1.00 1.00 H new ATOM 0 HB2 LYS A 53 79.051 15.117 -10.704 1.00 1.00 H new ATOM 0 HB3 LYS A 53 80.665 14.447 -10.834 1.00 1.00 H new ATOM 0 HG2 LYS A 53 80.766 15.493 -13.208 1.00 1.00 H new ATOM 0 HG3 LYS A 53 79.297 16.353 -12.794 1.00 1.00 H new ATOM 0 HD2 LYS A 53 80.440 17.382 -10.804 1.00 1.00 H new ATOM 0 HD3 LYS A 53 81.904 16.493 -11.172 1.00 1.00 H new ATOM 0 HE2 LYS A 53 82.184 17.670 -13.297 1.00 1.00 H new ATOM 0 HE3 LYS A 53 80.592 18.392 -13.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 82.315 19.950 -12.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 81.312 19.574 -11.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 82.854 18.874 -11.287 1.00 1.00 H new ATOM 882 N LEU A 54 79.271 12.551 -9.966 1.00 1.00 N ATOM 883 CA LEU A 54 79.008 11.532 -8.940 1.00 1.00 C ATOM 884 C LEU A 54 78.600 12.171 -7.609 1.00 1.00 C ATOM 885 O LEU A 54 79.423 12.856 -7.002 1.00 1.00 O ATOM 886 CB LEU A 54 80.339 10.785 -8.731 1.00 1.00 C ATOM 887 CG LEU A 54 80.290 9.837 -7.511 1.00 1.00 C ATOM 888 CD1 LEU A 54 79.018 8.975 -7.551 1.00 1.00 C ATOM 889 CD2 LEU A 54 81.531 8.935 -7.524 1.00 1.00 C ATOM 0 H LEU A 54 79.834 13.334 -9.635 1.00 1.00 H new ATOM 0 HA LEU A 54 78.197 10.878 -9.260 1.00 1.00 H new ATOM 0 HB2 LEU A 54 80.576 10.210 -9.626 1.00 1.00 H new ATOM 0 HB3 LEU A 54 81.143 11.509 -8.595 1.00 1.00 H new ATOM 0 HG LEU A 54 80.276 10.431 -6.597 1.00 1.00 H new ATOM 0 HD11 LEU A 54 78.999 8.313 -6.685 1.00 1.00 H new ATOM 0 HD12 LEU A 54 78.140 9.621 -7.533 1.00 1.00 H new ATOM 0 HD13 LEU A 54 79.011 8.379 -8.463 1.00 1.00 H new ATOM 0 HD21 LEU A 54 81.502 8.264 -6.666 1.00 1.00 H new ATOM 0 HD22 LEU A 54 81.545 8.349 -8.443 1.00 1.00 H new ATOM 0 HD23 LEU A 54 82.429 9.551 -7.473 1.00 1.00 H new ATOM 901 N TYR A 55 77.366 11.925 -7.108 1.00 1.00 N ATOM 902 CA TYR A 55 76.958 12.483 -5.783 1.00 1.00 C ATOM 903 C TYR A 55 77.341 11.424 -4.736 1.00 1.00 C ATOM 904 O TYR A 55 78.349 10.771 -4.967 1.00 1.00 O ATOM 905 CB TYR A 55 75.450 12.850 -5.778 1.00 1.00 C ATOM 906 CG TYR A 55 75.233 14.274 -6.276 1.00 1.00 C ATOM 907 CD1 TYR A 55 76.054 14.815 -7.276 1.00 1.00 C ATOM 908 CD2 TYR A 55 74.211 15.060 -5.714 1.00 1.00 C ATOM 909 CE1 TYR A 55 75.856 16.126 -7.708 1.00 1.00 C ATOM 910 CE2 TYR A 55 74.018 16.375 -6.149 1.00 1.00 C ATOM 911 CZ TYR A 55 74.843 16.909 -7.145 1.00 1.00 C ATOM 912 OH TYR A 55 74.654 18.206 -7.575 1.00 1.00 O ATOM 0 H TYR A 55 76.653 11.365 -7.576 1.00 1.00 H new ATOM 0 HA TYR A 55 77.468 13.419 -5.554 1.00 1.00 H new ATOM 0 HB2 TYR A 55 74.900 12.152 -6.410 1.00 1.00 H new ATOM 0 HB3 TYR A 55 75.051 12.749 -4.769 1.00 1.00 H new ATOM 0 HD1 TYR A 55 76.840 14.216 -7.712 1.00 1.00 H new ATOM 0 HD2 TYR A 55 73.574 14.647 -4.945 1.00 1.00 H new ATOM 0 HE1 TYR A 55 76.488 16.539 -8.481 1.00 1.00 H new ATOM 0 HE2 TYR A 55 73.233 16.978 -5.717 1.00 1.00 H new ATOM 0 HH TYR A 55 74.921 18.281 -8.515 1.00 1.00 H new ATOM 922 N ASP A 56 76.558 11.242 -3.637 1.00 1.00 N ATOM 923 CA ASP A 56 76.832 10.224 -2.588 1.00 1.00 C ATOM 924 C ASP A 56 76.415 10.738 -1.190 1.00 1.00 C ATOM 925 O ASP A 56 77.237 10.788 -0.282 1.00 1.00 O ATOM 926 CB ASP A 56 78.320 9.745 -2.562 1.00 1.00 C ATOM 927 CG ASP A 56 78.634 8.889 -1.330 1.00 1.00 C ATOM 928 OD1 ASP A 56 78.086 7.803 -1.231 1.00 1.00 O ATOM 929 OD2 ASP A 56 79.417 9.335 -0.507 1.00 1.00 O ATOM 0 H ASP A 56 75.721 11.796 -3.455 1.00 1.00 H new ATOM 0 HA ASP A 56 76.225 9.358 -2.850 1.00 1.00 H new ATOM 0 HB2 ASP A 56 78.530 9.170 -3.464 1.00 1.00 H new ATOM 0 HB3 ASP A 56 78.979 10.613 -2.576 1.00 1.00 H new ATOM 934 N LYS A 57 75.118 11.047 -1.018 1.00 1.00 N ATOM 935 CA LYS A 57 74.461 11.466 0.239 1.00 1.00 C ATOM 936 C LYS A 57 73.573 12.622 -0.231 1.00 1.00 C ATOM 937 O LYS A 57 74.156 13.638 -0.613 1.00 1.00 O ATOM 938 CB LYS A 57 75.421 11.908 1.381 1.00 1.00 C ATOM 939 CG LYS A 57 75.918 10.674 2.192 1.00 1.00 C ATOM 940 CD LYS A 57 77.220 11.008 2.929 1.00 1.00 C ATOM 941 CE LYS A 57 77.680 9.782 3.710 1.00 1.00 C ATOM 942 NZ LYS A 57 78.823 10.152 4.592 1.00 1.00 N ATOM 0 H LYS A 57 74.459 11.010 -1.796 1.00 1.00 H new ATOM 0 HA LYS A 57 73.931 10.635 0.704 1.00 1.00 H new ATOM 0 HB2 LYS A 57 76.274 12.440 0.960 1.00 1.00 H new ATOM 0 HB3 LYS A 57 74.908 12.603 2.045 1.00 1.00 H new ATOM 0 HG2 LYS A 57 75.155 10.370 2.908 1.00 1.00 H new ATOM 0 HG3 LYS A 57 76.079 9.830 1.521 1.00 1.00 H new ATOM 0 HD2 LYS A 57 77.988 11.310 2.217 1.00 1.00 H new ATOM 0 HD3 LYS A 57 77.064 11.848 3.606 1.00 1.00 H new ATOM 0 HE2 LYS A 57 76.858 9.390 4.308 1.00 1.00 H new ATOM 0 HE3 LYS A 57 77.979 8.991 3.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 79.136 9.315 5.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 79.609 10.507 4.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 78.523 10.893 5.257 1.00 1.00 H new ATOM 956 N ILE A 58 72.224 12.542 -0.290 1.00 1.00 N ATOM 957 CA ILE A 58 71.417 13.685 -0.828 1.00 1.00 C ATOM 958 C ILE A 58 70.483 14.310 0.249 1.00 1.00 C ATOM 959 O ILE A 58 69.495 13.678 0.623 1.00 1.00 O ATOM 960 CB ILE A 58 70.547 13.187 -2.042 1.00 1.00 C ATOM 961 CG1 ILE A 58 71.386 13.128 -3.353 1.00 1.00 C ATOM 962 CG2 ILE A 58 69.351 14.155 -2.284 1.00 1.00 C ATOM 963 CD1 ILE A 58 72.695 12.358 -3.157 1.00 1.00 C ATOM 0 H ILE A 58 71.679 11.735 0.013 1.00 1.00 H new ATOM 0 HA ILE A 58 72.117 14.457 -1.147 1.00 1.00 H new ATOM 0 HB ILE A 58 70.188 12.189 -1.791 1.00 1.00 H new ATOM 0 HG12 ILE A 58 70.799 12.653 -4.139 1.00 1.00 H new ATOM 0 HG13 ILE A 58 71.607 14.141 -3.689 1.00 1.00 H new ATOM 0 HG21 ILE A 58 68.759 13.798 -3.126 1.00 1.00 H new ATOM 0 HG22 ILE A 58 68.727 14.192 -1.391 1.00 1.00 H new ATOM 0 HG23 ILE A 58 69.730 15.153 -2.504 1.00 1.00 H new ATOM 0 HD11 ILE A 58 73.250 12.340 -4.095 1.00 1.00 H new ATOM 0 HD12 ILE A 58 73.294 12.848 -2.390 1.00 1.00 H new ATOM 0 HD13 ILE A 58 72.473 11.337 -2.847 1.00 1.00 H new ATOM 975 N PRO A 59 70.676 15.549 0.662 1.00 1.00 N ATOM 976 CA PRO A 59 69.705 16.215 1.585 1.00 1.00 C ATOM 977 C PRO A 59 68.280 16.149 0.983 1.00 1.00 C ATOM 978 O PRO A 59 68.133 16.044 -0.235 1.00 1.00 O ATOM 979 CB PRO A 59 70.219 17.677 1.642 1.00 1.00 C ATOM 980 CG PRO A 59 71.684 17.548 1.410 1.00 1.00 C ATOM 981 CD PRO A 59 71.816 16.443 0.354 1.00 1.00 C ATOM 0 HA PRO A 59 69.644 15.752 2.570 1.00 1.00 H new ATOM 0 HB2 PRO A 59 69.746 18.297 0.880 1.00 1.00 H new ATOM 0 HB3 PRO A 59 70.006 18.139 2.606 1.00 1.00 H new ATOM 0 HG2 PRO A 59 72.113 18.486 1.057 1.00 1.00 H new ATOM 0 HG3 PRO A 59 72.208 17.283 2.328 1.00 1.00 H new ATOM 0 HD2 PRO A 59 71.753 16.843 -0.658 1.00 1.00 H new ATOM 0 HD3 PRO A 59 72.770 15.922 0.432 1.00 1.00 H new ATOM 989 N PRO A 60 67.246 16.214 1.783 1.00 1.00 N ATOM 990 CA PRO A 60 65.829 16.166 1.277 1.00 1.00 C ATOM 991 C PRO A 60 65.505 17.383 0.393 1.00 1.00 C ATOM 992 O PRO A 60 64.484 17.422 -0.292 1.00 1.00 O ATOM 993 CB PRO A 60 64.987 16.146 2.577 1.00 1.00 C ATOM 994 CG PRO A 60 65.869 16.809 3.593 1.00 1.00 C ATOM 995 CD PRO A 60 67.291 16.355 3.249 1.00 1.00 C ATOM 0 HA PRO A 60 65.630 15.305 0.638 1.00 1.00 H new ATOM 0 HB2 PRO A 60 64.048 16.685 2.452 1.00 1.00 H new ATOM 0 HB3 PRO A 60 64.734 15.128 2.872 1.00 1.00 H new ATOM 0 HG2 PRO A 60 65.780 17.894 3.544 1.00 1.00 H new ATOM 0 HG3 PRO A 60 65.595 16.512 4.605 1.00 1.00 H new ATOM 0 HD2 PRO A 60 68.036 17.087 3.562 1.00 1.00 H new ATOM 0 HD3 PRO A 60 67.544 15.414 3.738 1.00 1.00 H new ATOM 1003 N THR A 61 66.388 18.369 0.448 1.00 1.00 N ATOM 1004 CA THR A 61 66.244 19.616 -0.306 1.00 1.00 C ATOM 1005 C THR A 61 66.244 19.405 -1.820 1.00 1.00 C ATOM 1006 O THR A 61 65.482 20.035 -2.552 1.00 1.00 O ATOM 1007 CB THR A 61 67.420 20.522 0.046 1.00 1.00 C ATOM 1008 OG1 THR A 61 67.465 20.712 1.453 1.00 1.00 O ATOM 1009 CG2 THR A 61 67.269 21.877 -0.649 1.00 1.00 C ATOM 0 H THR A 61 67.232 18.331 1.019 1.00 1.00 H new ATOM 0 HA THR A 61 65.283 20.054 -0.035 1.00 1.00 H new ATOM 0 HB THR A 61 68.344 20.053 -0.291 1.00 1.00 H new ATOM 0 HG1 THR A 61 68.221 21.292 1.681 1.00 1.00 H new ATOM 0 HG21 THR A 61 68.114 22.515 -0.390 1.00 1.00 H new ATOM 0 HG22 THR A 61 67.242 21.731 -1.729 1.00 1.00 H new ATOM 0 HG23 THR A 61 66.343 22.352 -0.324 1.00 1.00 H new ATOM 1017 N VAL A 62 67.154 18.564 -2.276 1.00 1.00 N ATOM 1018 CA VAL A 62 67.332 18.308 -3.700 1.00 1.00 C ATOM 1019 C VAL A 62 66.123 17.675 -4.400 1.00 1.00 C ATOM 1020 O VAL A 62 65.732 18.130 -5.473 1.00 1.00 O ATOM 1021 CB VAL A 62 68.510 17.355 -3.849 1.00 1.00 C ATOM 1022 CG1 VAL A 62 68.879 17.190 -5.329 1.00 1.00 C ATOM 1023 CG2 VAL A 62 69.718 17.906 -3.080 1.00 1.00 C ATOM 0 H VAL A 62 67.790 18.039 -1.675 1.00 1.00 H new ATOM 0 HA VAL A 62 67.485 19.277 -4.175 1.00 1.00 H new ATOM 0 HB VAL A 62 68.229 16.383 -3.444 1.00 1.00 H new ATOM 0 HG11 VAL A 62 69.723 16.506 -5.420 1.00 1.00 H new ATOM 0 HG12 VAL A 62 68.025 16.787 -5.874 1.00 1.00 H new ATOM 0 HG13 VAL A 62 69.151 18.159 -5.746 1.00 1.00 H new ATOM 0 HG21 VAL A 62 70.560 17.223 -3.188 1.00 1.00 H new ATOM 0 HG22 VAL A 62 69.990 18.883 -3.480 1.00 1.00 H new ATOM 0 HG23 VAL A 62 69.463 18.005 -2.025 1.00 1.00 H new ATOM 1033 N TRP A 63 65.573 16.588 -3.843 1.00 1.00 N ATOM 1034 CA TRP A 63 64.470 15.894 -4.533 1.00 1.00 C ATOM 1035 C TRP A 63 63.343 16.862 -4.918 1.00 1.00 C ATOM 1036 O TRP A 63 62.528 16.533 -5.782 1.00 1.00 O ATOM 1037 CB TRP A 63 63.838 14.706 -3.754 1.00 1.00 C ATOM 1038 CG TRP A 63 64.824 13.870 -2.986 1.00 1.00 C ATOM 1039 CD1 TRP A 63 64.718 13.584 -1.661 1.00 1.00 C ATOM 1040 CD2 TRP A 63 66.000 13.151 -3.461 1.00 1.00 C ATOM 1041 NE1 TRP A 63 65.746 12.743 -1.298 1.00 1.00 N ATOM 1042 CE2 TRP A 63 66.562 12.445 -2.367 1.00 1.00 C ATOM 1043 CE3 TRP A 63 66.631 13.040 -4.713 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 67.696 11.656 -2.510 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 67.783 12.244 -4.859 1.00 1.00 C ATOM 1046 CH2 TRP A 63 68.312 11.550 -3.759 1.00 1.00 C ATOM 0 H TRP A 63 65.857 16.180 -2.952 1.00 1.00 H new ATOM 0 HA TRP A 63 64.954 15.479 -5.417 1.00 1.00 H new ATOM 0 HB2 TRP A 63 63.094 15.098 -3.060 1.00 1.00 H new ATOM 0 HB3 TRP A 63 63.309 14.065 -4.460 1.00 1.00 H new ATOM 0 HD1 TRP A 63 63.950 13.957 -0.999 1.00 1.00 H new ATOM 0 HE1 TRP A 63 65.886 12.385 -0.353 1.00 1.00 H new ATOM 0 HE3 TRP A 63 66.230 13.568 -5.566 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 68.100 11.127 -1.659 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 68.263 12.167 -5.823 1.00 1.00 H new ATOM 0 HH2 TRP A 63 69.193 10.936 -3.878 1.00 1.00 H new ATOM 1057 N GLN A 64 63.358 18.090 -4.342 1.00 1.00 N ATOM 1058 CA GLN A 64 62.361 19.142 -4.735 1.00 1.00 C ATOM 1059 C GLN A 64 62.877 19.992 -5.896 1.00 1.00 C ATOM 1060 O GLN A 64 62.093 20.416 -6.745 1.00 1.00 O ATOM 1061 CB GLN A 64 61.863 19.993 -3.569 1.00 1.00 C ATOM 1062 CG GLN A 64 61.266 19.094 -2.487 1.00 1.00 C ATOM 1063 CD GLN A 64 60.852 19.944 -1.291 1.00 1.00 C ATOM 1064 OE1 GLN A 64 60.996 21.166 -1.320 1.00 1.00 O ATOM 1065 NE2 GLN A 64 60.344 19.370 -0.235 1.00 1.00 N ATOM 0 H GLN A 64 64.023 18.380 -3.625 1.00 1.00 H new ATOM 0 HA GLN A 64 61.479 18.603 -5.082 1.00 1.00 H new ATOM 0 HB2 GLN A 64 62.686 20.577 -3.156 1.00 1.00 H new ATOM 0 HB3 GLN A 64 61.113 20.702 -3.919 1.00 1.00 H new ATOM 0 HG2 GLN A 64 60.403 18.557 -2.881 1.00 1.00 H new ATOM 0 HG3 GLN A 64 61.995 18.344 -2.179 1.00 1.00 H new ATOM 0 HE21 GLN A 64 60.225 18.357 -0.212 1.00 1.00 H new ATOM 0 HE22 GLN A 64 60.066 19.934 0.568 1.00 1.00 H new ATOM 1074 N HIS A 65 64.188 20.268 -5.931 1.00 1.00 N ATOM 1075 CA HIS A 65 64.785 21.098 -6.988 1.00 1.00 C ATOM 1076 C HIS A 65 65.496 20.263 -8.033 1.00 1.00 C ATOM 1077 O HIS A 65 65.206 20.371 -9.223 1.00 1.00 O ATOM 1078 CB HIS A 65 65.808 22.033 -6.343 1.00 1.00 C ATOM 1079 CG HIS A 65 65.123 22.884 -5.311 1.00 1.00 C ATOM 1080 ND1 HIS A 65 65.386 22.757 -3.956 1.00 1.00 N ATOM 1081 CD2 HIS A 65 64.179 23.874 -5.419 1.00 1.00 C ATOM 1082 CE1 HIS A 65 64.614 23.648 -3.308 1.00 1.00 C ATOM 1083 NE2 HIS A 65 63.858 24.355 -4.153 1.00 1.00 N ATOM 0 H HIS A 65 64.856 19.929 -5.239 1.00 1.00 H new ATOM 0 HA HIS A 65 63.984 21.649 -7.481 1.00 1.00 H new ATOM 0 HB2 HIS A 65 66.607 21.453 -5.881 1.00 1.00 H new ATOM 0 HB3 HIS A 65 66.270 22.664 -7.102 1.00 1.00 H new ATOM 0 HD1 HIS A 65 66.045 22.106 -3.528 1.00 1.00 H new ATOM 0 HD2 HIS A 65 63.750 24.226 -6.346 1.00 1.00 H new ATOM 0 HE1 HIS A 65 64.606 23.776 -2.236 1.00 1.00 H new ATOM 1092 N VAL A 66 66.434 19.434 -7.593 1.00 1.00 N ATOM 1093 CA VAL A 66 67.179 18.599 -8.514 1.00 1.00 C ATOM 1094 C VAL A 66 67.784 19.465 -9.621 1.00 1.00 C ATOM 1095 O VAL A 66 67.650 19.162 -10.805 1.00 1.00 O ATOM 1096 CB VAL A 66 66.246 17.530 -9.109 1.00 1.00 C ATOM 1097 CG1 VAL A 66 67.060 16.375 -9.689 1.00 1.00 C ATOM 1098 CG2 VAL A 66 65.361 16.962 -8.010 1.00 1.00 C ATOM 0 H VAL A 66 66.692 19.325 -6.612 1.00 1.00 H new ATOM 0 HA VAL A 66 67.989 18.099 -7.983 1.00 1.00 H new ATOM 0 HB VAL A 66 65.648 17.997 -9.892 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.385 15.627 -10.106 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.716 16.750 -10.475 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.661 15.922 -8.901 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.700 16.205 -8.431 1.00 1.00 H new ATOM 0 HG22 VAL A 66 65.984 16.511 -7.238 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.764 17.763 -7.573 1.00 1.00 H new ATOM 1108 N LYS A 67 68.434 20.563 -9.214 1.00 1.00 N ATOM 1109 CA LYS A 67 69.058 21.503 -10.157 1.00 1.00 C ATOM 1110 C LYS A 67 70.267 22.176 -9.503 1.00 1.00 C ATOM 1111 O LYS A 67 71.311 22.349 -10.133 1.00 1.00 O ATOM 1112 CB LYS A 67 68.044 22.586 -10.584 1.00 1.00 C ATOM 1113 CG LYS A 67 67.007 22.002 -11.553 1.00 1.00 C ATOM 1114 CD LYS A 67 66.040 23.111 -11.990 1.00 1.00 C ATOM 1115 CE LYS A 67 64.846 22.500 -12.728 1.00 1.00 C ATOM 1116 NZ LYS A 67 64.074 21.633 -11.792 1.00 1.00 N ATOM 0 H LYS A 67 68.542 20.824 -8.234 1.00 1.00 H new ATOM 0 HA LYS A 67 69.381 20.946 -11.036 1.00 1.00 H new ATOM 0 HB2 LYS A 67 67.542 22.989 -9.704 1.00 1.00 H new ATOM 0 HB3 LYS A 67 68.568 23.415 -11.060 1.00 1.00 H new ATOM 0 HG2 LYS A 67 67.506 21.575 -12.423 1.00 1.00 H new ATOM 0 HG3 LYS A 67 66.457 21.193 -11.071 1.00 1.00 H new ATOM 0 HD2 LYS A 67 65.694 23.668 -11.119 1.00 1.00 H new ATOM 0 HD3 LYS A 67 66.555 23.820 -12.638 1.00 1.00 H new ATOM 0 HE2 LYS A 67 64.205 23.289 -13.122 1.00 1.00 H new ATOM 0 HE3 LYS A 67 65.192 21.915 -13.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 63.073 21.916 -11.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 64.156 20.640 -12.091 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 64.454 21.737 -10.829 1.00 1.00 H new ATOM 1130 N HIS A 68 70.109 22.565 -8.243 1.00 1.00 N ATOM 1131 CA HIS A 68 71.185 23.234 -7.515 1.00 1.00 C ATOM 1132 C HIS A 68 72.387 22.307 -7.333 1.00 1.00 C ATOM 1133 O HIS A 68 72.246 21.084 -7.311 1.00 1.00 O ATOM 1134 CB HIS A 68 70.681 23.699 -6.144 1.00 1.00 C ATOM 1135 CG HIS A 68 69.647 24.779 -6.324 1.00 1.00 C ATOM 1136 ND1 HIS A 68 68.289 24.505 -6.350 1.00 1.00 N ATOM 1137 CD2 HIS A 68 69.758 26.139 -6.488 1.00 1.00 C ATOM 1138 CE1 HIS A 68 67.643 25.673 -6.524 1.00 1.00 C ATOM 1139 NE2 HIS A 68 68.491 26.700 -6.614 1.00 1.00 N ATOM 0 H HIS A 68 69.253 22.431 -7.706 1.00 1.00 H new ATOM 0 HA HIS A 68 71.502 24.098 -8.100 1.00 1.00 H new ATOM 0 HB2 HIS A 68 70.252 22.858 -5.599 1.00 1.00 H new ATOM 0 HB3 HIS A 68 71.513 24.074 -5.548 1.00 1.00 H new ATOM 0 HD2 HIS A 68 70.687 26.689 -6.515 1.00 1.00 H new ATOM 0 HE1 HIS A 68 66.569 25.768 -6.584 1.00 1.00 H new ATOM 0 HE2 HIS A 68 68.260 27.685 -6.747 1.00 1.00 H new ATOM 1148 N HIS A 69 73.568 22.906 -7.201 1.00 1.00 N ATOM 1149 CA HIS A 69 74.800 22.145 -7.020 1.00 1.00 C ATOM 1150 C HIS A 69 75.960 23.102 -6.767 1.00 1.00 C ATOM 1151 O HIS A 69 75.753 24.307 -6.624 1.00 1.00 O ATOM 1152 CB HIS A 69 75.086 21.301 -8.266 1.00 1.00 C ATOM 1153 CG HIS A 69 75.085 22.190 -9.480 1.00 1.00 C ATOM 1154 ND1 HIS A 69 73.913 22.588 -10.104 1.00 1.00 N ATOM 1155 CD2 HIS A 69 76.105 22.771 -10.195 1.00 1.00 C ATOM 1156 CE1 HIS A 69 74.251 23.372 -11.144 1.00 1.00 C ATOM 1157 NE2 HIS A 69 75.575 23.517 -11.244 1.00 1.00 N ATOM 0 H HIS A 69 73.697 23.918 -7.216 1.00 1.00 H new ATOM 0 HA HIS A 69 74.685 21.481 -6.163 1.00 1.00 H new ATOM 0 HB2 HIS A 69 76.050 20.802 -8.168 1.00 1.00 H new ATOM 0 HB3 HIS A 69 74.332 20.521 -8.372 1.00 1.00 H new ATOM 0 HD1 HIS A 69 72.966 22.333 -9.825 1.00 1.00 H new ATOM 0 HD2 HIS A 69 77.157 22.665 -9.976 1.00 1.00 H new ATOM 0 HE1 HIS A 69 73.539 23.828 -11.816 1.00 1.00 H new ATOM 1166 N HIS A 70 77.179 22.567 -6.714 1.00 1.00 N ATOM 1167 CA HIS A 70 78.364 23.397 -6.475 1.00 1.00 C ATOM 1168 C HIS A 70 79.622 22.689 -6.966 1.00 1.00 C ATOM 1169 O HIS A 70 79.875 21.536 -6.617 1.00 1.00 O ATOM 1170 CB HIS A 70 78.502 23.696 -4.980 1.00 1.00 C ATOM 1171 CG HIS A 70 77.357 24.561 -4.529 1.00 1.00 C ATOM 1172 ND1 HIS A 70 77.368 25.940 -4.674 1.00 1.00 N ATOM 1173 CD2 HIS A 70 76.155 24.257 -3.939 1.00 1.00 C ATOM 1174 CE1 HIS A 70 76.207 26.409 -4.181 1.00 1.00 C ATOM 1175 NE2 HIS A 70 75.431 25.425 -3.720 1.00 1.00 N ATOM 0 H HIS A 70 77.374 21.573 -6.832 1.00 1.00 H new ATOM 0 HA HIS A 70 78.244 24.331 -7.025 1.00 1.00 H new ATOM 0 HB2 HIS A 70 78.513 22.765 -4.413 1.00 1.00 H new ATOM 0 HB3 HIS A 70 79.449 24.199 -4.786 1.00 1.00 H new ATOM 0 HD2 HIS A 70 75.822 23.262 -3.684 1.00 1.00 H new ATOM 0 HE1 HIS A 70 75.936 27.454 -4.161 1.00 1.00 H new ATOM 0 HE2 HIS A 70 74.506 25.511 -3.298 1.00 1.00 H new ATOM 1184 N HIS A 71 80.409 23.390 -7.775 1.00 1.00 N ATOM 1185 CA HIS A 71 81.642 22.824 -8.308 1.00 1.00 C ATOM 1186 C HIS A 71 82.659 22.618 -7.190 1.00 1.00 C ATOM 1187 O HIS A 71 82.601 23.286 -6.157 1.00 1.00 O ATOM 1188 CB HIS A 71 82.230 23.760 -9.365 1.00 1.00 C ATOM 1189 CG HIS A 71 81.300 23.834 -10.544 1.00 1.00 C ATOM 1190 ND1 HIS A 71 80.312 24.801 -10.647 1.00 1.00 N ATOM 1191 CD2 HIS A 71 81.196 23.071 -11.680 1.00 1.00 C ATOM 1192 CE1 HIS A 71 79.664 24.597 -11.808 1.00 1.00 C ATOM 1193 NE2 HIS A 71 80.163 23.555 -12.477 1.00 1.00 N ATOM 0 H HIS A 71 80.216 24.346 -8.075 1.00 1.00 H new ATOM 0 HA HIS A 71 81.413 21.860 -8.762 1.00 1.00 H new ATOM 0 HB2 HIS A 71 82.379 24.754 -8.943 1.00 1.00 H new ATOM 0 HB3 HIS A 71 83.208 23.398 -9.682 1.00 1.00 H new ATOM 0 HD2 HIS A 71 81.821 22.223 -11.919 1.00 1.00 H new ATOM 0 HE1 HIS A 71 78.840 25.202 -12.157 1.00 1.00 H new ATOM 0 HE2 HIS A 71 79.854 23.192 -13.379 1.00 1.00 H new ATOM 1202 N HIS A 72 83.588 21.692 -7.401 1.00 1.00 N ATOM 1203 CA HIS A 72 84.610 21.412 -6.399 1.00 1.00 C ATOM 1204 C HIS A 72 85.702 20.518 -6.977 1.00 1.00 C ATOM 1205 O HIS A 72 85.501 19.852 -7.993 1.00 1.00 O ATOM 1206 CB HIS A 72 83.977 20.729 -5.186 1.00 1.00 C ATOM 1207 CG HIS A 72 83.330 19.442 -5.617 1.00 1.00 C ATOM 1208 ND1 HIS A 72 82.277 19.411 -6.518 1.00 1.00 N ATOM 1209 CD2 HIS A 72 83.575 18.134 -5.280 1.00 1.00 C ATOM 1210 CE1 HIS A 72 81.930 18.122 -6.692 1.00 1.00 C ATOM 1211 NE2 HIS A 72 82.690 17.302 -5.960 1.00 1.00 N ATOM 0 H HIS A 72 83.655 21.128 -8.248 1.00 1.00 H new ATOM 0 HA HIS A 72 85.058 22.357 -6.092 1.00 1.00 H new ATOM 0 HB2 HIS A 72 84.736 20.531 -4.429 1.00 1.00 H new ATOM 0 HB3 HIS A 72 83.236 21.386 -4.730 1.00 1.00 H new ATOM 0 HD2 HIS A 72 84.338 17.801 -4.592 1.00 1.00 H new ATOM 0 HE1 HIS A 72 81.135 17.791 -7.343 1.00 1.00 H new ATOM 0 HE2 HIS A 72 82.634 16.285 -5.910 1.00 1.00 H new ATOM 1220 N HIS A 73 86.858 20.508 -6.321 1.00 1.00 N ATOM 1221 CA HIS A 73 87.978 19.692 -6.777 1.00 1.00 C ATOM 1222 C HIS A 73 87.579 18.222 -6.837 1.00 1.00 C ATOM 1223 O HIS A 73 87.385 17.725 -7.934 1.00 1.00 O ATOM 1224 CB HIS A 73 89.167 19.864 -5.829 1.00 1.00 C ATOM 1225 CG HIS A 73 90.342 19.083 -6.350 1.00 1.00 C ATOM 1226 ND1 HIS A 73 91.042 19.467 -7.484 1.00 1.00 N ATOM 1227 CD2 HIS A 73 90.954 17.938 -5.902 1.00 1.00 C ATOM 1228 CE1 HIS A 73 92.025 18.568 -7.677 1.00 1.00 C ATOM 1229 NE2 HIS A 73 92.016 17.615 -6.741 1.00 1.00 N ATOM 1230 OXT HIS A 73 87.472 17.613 -5.785 1.00 1.00 O ATOM 0 H HIS A 73 87.043 21.051 -5.478 1.00 1.00 H new ATOM 0 HA HIS A 73 88.261 20.020 -7.777 1.00 1.00 H new ATOM 0 HB2 HIS A 73 89.427 20.919 -5.743 1.00 1.00 H new ATOM 0 HB3 HIS A 73 88.902 19.519 -4.830 1.00 1.00 H new ATOM 0 HD2 HIS A 73 90.656 17.374 -5.031 1.00 1.00 H new ATOM 0 HE1 HIS A 73 92.735 18.612 -8.490 1.00 1.00 H new ATOM 0 HE2 HIS A 73 92.651 16.821 -6.659 1.00 1.00 H new TER 1239 HIS A 73