USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= -4.49! C(o=-5.4!,f=-12!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.914 K(o=-5.4,f=-18!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -178:sc= 1.66 (180deg=1.12) USER MOD Set 2.2: A 67 GLN : amide:sc= -2.8! X(o=-1.1!,f=-1.5) USER MOD Single : A 1 MET CE :methyl -158:sc=-0.00556 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.32 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 3 THR OG1 : rot 165:sc= 1.55 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -161:sc= 1.17 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 2.42 (180deg=2.34) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.0516 X(o=0.052,f=0) USER MOD Single : A 33 TYR OH : rot 152:sc= 1.2 USER MOD Single : A 34 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.11) USER MOD Single : A 35 TYR OH : rot -166:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot -136:sc= 0.486 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0.93 (180deg=0.914) USER MOD Single : A 49 GLN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.763 K(o=0.76,f=-0.0052) USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.897) USER MOD Single : A 58 THR OG1 : rot -94:sc= 0.916 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 1.25 (180deg=1.14) USER MOD Single : A 82 ASN : amide:sc= 0.631 K(o=0.63,f=-4.7!) USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD Single : B 149 LYS NZ :NH3+ -136:sc= -0.13 (180deg=-0.801!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.217 -16.263 -1.476 1.00 1.00 N ATOM 2 CA MET A 1 13.590 -14.931 -1.297 1.00 1.00 C ATOM 3 C MET A 1 14.563 -13.901 -0.702 1.00 1.00 C ATOM 4 O MET A 1 15.013 -14.040 0.431 1.00 1.00 O ATOM 5 CB MET A 1 12.275 -15.005 -0.496 1.00 1.00 C ATOM 6 CG MET A 1 11.633 -13.618 -0.285 1.00 1.00 C ATOM 7 SD MET A 1 9.842 -13.552 -0.510 1.00 1.00 S ATOM 8 CE MET A 1 9.802 -13.841 -2.301 1.00 1.00 C ATOM 0 H1 MET A 1 13.478 -16.974 -1.650 1.00 1.00 H new ATOM 0 H2 MET A 1 14.868 -16.234 -2.287 1.00 1.00 H new ATOM 0 H3 MET A 1 14.745 -16.516 -0.617 1.00 1.00 H new ATOM 0 HA MET A 1 13.332 -14.580 -2.296 1.00 1.00 H new ATOM 0 HB2 MET A 1 11.571 -15.652 -1.019 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.469 -15.463 0.474 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.868 -13.277 0.723 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.095 -12.913 -0.976 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.865 -13.463 -2.710 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.638 -13.324 -2.772 1.00 1.00 H new ATOM 0 HE3 MET A 1 9.879 -14.910 -2.499 1.00 1.00 H new ATOM 20 N GLN A 2 14.817 -12.814 -1.435 1.00 1.00 N ATOM 21 CA GLN A 2 15.631 -11.635 -1.049 1.00 1.00 C ATOM 22 C GLN A 2 14.788 -10.340 -1.032 1.00 1.00 C ATOM 23 O GLN A 2 14.216 -9.974 -2.054 1.00 1.00 O ATOM 24 CB GLN A 2 16.866 -11.497 -1.980 1.00 1.00 C ATOM 25 CG GLN A 2 18.220 -11.717 -1.274 1.00 1.00 C ATOM 26 CD GLN A 2 18.747 -10.470 -0.557 1.00 1.00 C ATOM 27 OE1 GLN A 2 19.551 -9.707 -1.071 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.340 -10.185 0.656 1.00 1.00 N ATOM 0 H GLN A 2 14.439 -12.718 -2.378 1.00 1.00 H new ATOM 0 HA GLN A 2 15.989 -11.794 -0.032 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.774 -12.214 -2.795 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.860 -10.503 -2.428 1.00 1.00 H new ATOM 0 HG2 GLN A 2 18.116 -12.525 -0.550 1.00 1.00 H new ATOM 0 HG3 GLN A 2 18.956 -12.041 -2.010 1.00 1.00 H new ATOM 0 HE21 GLN A 2 17.669 -10.794 1.125 1.00 1.00 H new ATOM 0 HE22 GLN A 2 18.694 -9.355 1.131 1.00 1.00 H new ATOM 37 N THR A 3 14.696 -9.656 0.113 1.00 1.00 N ATOM 38 CA THR A 3 13.817 -8.483 0.361 1.00 1.00 C ATOM 39 C THR A 3 14.605 -7.238 0.787 1.00 1.00 C ATOM 40 O THR A 3 15.137 -7.202 1.895 1.00 1.00 O ATOM 41 CB THR A 3 12.720 -8.794 1.401 1.00 1.00 C ATOM 42 OG1 THR A 3 11.939 -9.888 0.974 1.00 1.00 O ATOM 43 CG2 THR A 3 11.753 -7.620 1.573 1.00 1.00 C ATOM 0 H THR A 3 15.250 -9.906 0.932 1.00 1.00 H new ATOM 0 HA THR A 3 13.338 -8.266 -0.593 1.00 1.00 H new ATOM 0 HB THR A 3 13.235 -9.003 2.339 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.409 -10.225 1.726 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.996 -7.878 2.313 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.304 -6.741 1.908 1.00 1.00 H new ATOM 0 HG23 THR A 3 11.270 -7.404 0.620 1.00 1.00 H new ATOM 51 N VAL A 4 14.643 -6.191 -0.045 1.00 1.00 N ATOM 52 CA VAL A 4 15.424 -4.942 0.155 1.00 1.00 C ATOM 53 C VAL A 4 14.484 -3.753 0.407 1.00 1.00 C ATOM 54 O VAL A 4 13.651 -3.397 -0.421 1.00 1.00 O ATOM 55 CB VAL A 4 16.436 -4.688 -0.988 1.00 1.00 C ATOM 56 CG1 VAL A 4 17.357 -3.508 -0.632 1.00 1.00 C ATOM 57 CG2 VAL A 4 17.314 -5.929 -1.250 1.00 1.00 C ATOM 0 H VAL A 4 14.112 -6.180 -0.916 1.00 1.00 H new ATOM 0 HA VAL A 4 16.034 -5.065 1.050 1.00 1.00 H new ATOM 0 HB VAL A 4 15.860 -4.462 -1.885 1.00 1.00 H new ATOM 0 HG11 VAL A 4 18.064 -3.340 -1.445 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.757 -2.611 -0.482 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.904 -3.736 0.283 1.00 1.00 H new ATOM 0 HG21 VAL A 4 18.013 -5.716 -2.059 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.870 -6.179 -0.346 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.680 -6.770 -1.531 1.00 1.00 H new ATOM 67 N ILE A 5 14.590 -3.148 1.588 1.00 1.00 N ATOM 68 CA ILE A 5 13.703 -2.114 2.156 1.00 1.00 C ATOM 69 C ILE A 5 14.290 -0.700 2.049 1.00 1.00 C ATOM 70 O ILE A 5 15.357 -0.442 2.597 1.00 1.00 O ATOM 71 CB ILE A 5 13.427 -2.457 3.645 1.00 1.00 C ATOM 72 CG1 ILE A 5 13.021 -3.942 3.900 1.00 1.00 C ATOM 73 CG2 ILE A 5 12.373 -1.500 4.245 1.00 1.00 C ATOM 74 CD1 ILE A 5 13.367 -4.374 5.323 1.00 1.00 C ATOM 0 H ILE A 5 15.351 -3.379 2.226 1.00 1.00 H new ATOM 0 HA ILE A 5 12.779 -2.114 1.578 1.00 1.00 H new ATOM 0 HB ILE A 5 14.381 -2.318 4.153 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.951 -4.063 3.731 1.00 1.00 H new ATOM 0 HG13 ILE A 5 13.532 -4.589 3.187 1.00 1.00 H new ATOM 0 HG21 ILE A 5 12.197 -1.761 5.289 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.736 -0.474 4.184 1.00 1.00 H new ATOM 0 HG23 ILE A 5 11.441 -1.589 3.687 1.00 1.00 H new ATOM 0 HD11 ILE A 5 13.072 -5.413 5.470 1.00 1.00 H new ATOM 0 HD12 ILE A 5 14.441 -4.276 5.482 1.00 1.00 H new ATOM 0 HD13 ILE A 5 12.835 -3.742 6.034 1.00 1.00 H new ATOM 86 N PHE A 6 13.559 0.231 1.427 1.00 1.00 N ATOM 87 CA PHE A 6 13.996 1.612 1.161 1.00 1.00 C ATOM 88 C PHE A 6 13.320 2.655 2.097 1.00 1.00 C ATOM 89 O PHE A 6 12.131 2.960 1.965 1.00 1.00 O ATOM 90 CB PHE A 6 13.860 1.901 -0.350 1.00 1.00 C ATOM 91 CG PHE A 6 14.912 1.226 -1.222 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.728 -0.104 -1.664 1.00 1.00 C ATOM 93 CD2 PHE A 6 16.085 1.925 -1.595 1.00 1.00 C ATOM 94 CE1 PHE A 6 15.689 -0.717 -2.498 1.00 1.00 C ATOM 95 CE2 PHE A 6 17.047 1.311 -2.424 1.00 1.00 C ATOM 96 CZ PHE A 6 16.846 -0.007 -2.884 1.00 1.00 C ATOM 0 H PHE A 6 12.618 0.042 1.083 1.00 1.00 H new ATOM 0 HA PHE A 6 15.051 1.715 1.414 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.872 1.580 -0.681 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.914 2.978 -0.507 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.849 -0.654 -1.363 1.00 1.00 H new ATOM 0 HD2 PHE A 6 16.244 2.934 -1.243 1.00 1.00 H new ATOM 0 HE1 PHE A 6 15.538 -1.730 -2.841 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.939 1.851 -2.707 1.00 1.00 H new ATOM 0 HZ PHE A 6 17.576 -0.472 -3.530 1.00 1.00 H new ATOM 106 N GLY A 7 14.092 3.188 3.061 1.00 1.00 N ATOM 107 CA GLY A 7 13.805 4.299 3.992 1.00 1.00 C ATOM 108 C GLY A 7 12.767 4.083 5.107 1.00 1.00 C ATOM 109 O GLY A 7 11.631 4.540 4.962 1.00 1.00 O ATOM 0 H GLY A 7 15.027 2.815 3.225 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.744 4.583 4.466 1.00 1.00 H new ATOM 0 HA3 GLY A 7 13.478 5.152 3.397 1.00 1.00 H new ATOM 113 N ARG A 8 13.137 3.446 6.234 1.00 1.00 N ATOM 114 CA ARG A 8 12.267 3.230 7.431 1.00 1.00 C ATOM 115 C ARG A 8 11.939 4.521 8.227 1.00 1.00 C ATOM 116 O ARG A 8 10.780 4.730 8.584 1.00 1.00 O ATOM 117 CB ARG A 8 12.868 2.145 8.358 1.00 1.00 C ATOM 118 CG ARG A 8 11.853 1.563 9.375 1.00 1.00 C ATOM 119 CD ARG A 8 12.561 1.074 10.646 1.00 1.00 C ATOM 120 NE ARG A 8 11.697 0.370 11.629 1.00 1.00 N ATOM 121 CZ ARG A 8 11.962 0.182 12.905 1.00 1.00 C ATOM 122 NH1 ARG A 8 12.987 0.678 13.504 1.00 1.00 N ATOM 123 NH2 ARG A 8 11.209 -0.549 13.647 1.00 1.00 N ATOM 0 H ARG A 8 14.071 3.053 6.351 1.00 1.00 H new ATOM 0 HA ARG A 8 11.311 2.883 7.039 1.00 1.00 H new ATOM 0 HB2 ARG A 8 13.261 1.334 7.746 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.711 2.571 8.902 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.117 2.324 9.635 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.309 0.737 8.918 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.371 0.405 10.355 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.018 1.932 11.139 1.00 1.00 H new ATOM 0 HE ARG A 8 10.814 -0.004 11.282 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.651 1.254 12.987 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.136 0.495 14.496 1.00 1.00 H new ATOM 0 HH21 ARG A 8 10.384 -0.999 13.250 1.00 1.00 H new ATOM 0 HH22 ARG A 8 11.436 -0.679 14.633 1.00 1.00 H new ATOM 137 N SER A 9 12.936 5.364 8.528 1.00 1.00 N ATOM 138 CA SER A 9 12.813 6.606 9.332 1.00 1.00 C ATOM 139 C SER A 9 11.946 7.705 8.683 1.00 1.00 C ATOM 140 O SER A 9 12.220 8.147 7.560 1.00 1.00 O ATOM 141 CB SER A 9 14.197 7.183 9.665 1.00 1.00 C ATOM 142 OG SER A 9 14.089 8.181 10.668 1.00 1.00 O ATOM 0 H SER A 9 13.891 5.201 8.210 1.00 1.00 H new ATOM 0 HA SER A 9 12.298 6.299 10.242 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.858 6.386 10.006 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.646 7.608 8.767 1.00 1.00 H new ATOM 0 HG SER A 9 14.979 8.538 10.871 1.00 1.00 H new ATOM 148 N GLY A 10 10.912 8.152 9.408 1.00 1.00 N ATOM 149 CA GLY A 10 10.025 9.294 9.110 1.00 1.00 C ATOM 150 C GLY A 10 8.559 8.988 8.767 1.00 1.00 C ATOM 151 O GLY A 10 7.758 9.923 8.722 1.00 1.00 O ATOM 0 H GLY A 10 10.651 7.695 10.282 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.036 9.961 9.972 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.457 9.845 8.275 1.00 1.00 H new ATOM 155 N CYS A 11 8.184 7.723 8.532 1.00 1.00 N ATOM 156 CA CYS A 11 6.817 7.290 8.209 1.00 1.00 C ATOM 157 C CYS A 11 6.383 5.893 8.747 1.00 1.00 C ATOM 158 O CYS A 11 7.015 4.884 8.400 1.00 1.00 O ATOM 159 CB CYS A 11 6.588 7.457 6.705 1.00 1.00 C ATOM 160 SG CYS A 11 7.843 6.665 5.652 1.00 1.00 S ATOM 0 H CYS A 11 8.846 6.947 8.562 1.00 1.00 H new ATOM 0 HA CYS A 11 6.148 7.946 8.766 1.00 1.00 H new ATOM 0 HB2 CYS A 11 5.610 7.047 6.452 1.00 1.00 H new ATOM 0 HB3 CYS A 11 6.557 8.521 6.472 1.00 1.00 H new ATOM 165 N PRO A 12 5.257 5.797 9.507 1.00 1.00 N ATOM 166 CA PRO A 12 4.674 4.545 10.033 1.00 1.00 C ATOM 167 C PRO A 12 4.519 3.421 8.997 1.00 1.00 C ATOM 168 O PRO A 12 4.904 2.284 9.250 1.00 1.00 O ATOM 169 CB PRO A 12 3.294 4.906 10.612 1.00 1.00 C ATOM 170 CG PRO A 12 3.366 6.403 10.868 1.00 1.00 C ATOM 171 CD PRO A 12 4.368 6.908 9.833 1.00 1.00 C ATOM 0 HA PRO A 12 5.361 4.146 10.779 1.00 1.00 H new ATOM 0 HB2 PRO A 12 2.494 4.661 9.913 1.00 1.00 H new ATOM 0 HB3 PRO A 12 3.093 4.356 11.531 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.392 6.876 10.744 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.698 6.619 11.883 1.00 1.00 H new ATOM 0 HD2 PRO A 12 3.852 7.261 8.940 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.936 7.751 10.228 1.00 1.00 H new ATOM 179 N TYR A 13 4.001 3.732 7.802 1.00 1.00 N ATOM 180 CA TYR A 13 3.780 2.760 6.710 1.00 1.00 C ATOM 181 C TYR A 13 5.081 2.069 6.255 1.00 1.00 C ATOM 182 O TYR A 13 5.087 0.863 6.006 1.00 1.00 O ATOM 183 CB TYR A 13 2.951 3.416 5.595 1.00 1.00 C ATOM 184 CG TYR A 13 1.569 3.788 6.125 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.626 2.760 6.369 1.00 1.00 C ATOM 186 CD2 TYR A 13 1.296 5.109 6.558 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.566 3.043 7.073 1.00 1.00 C ATOM 188 CE2 TYR A 13 0.103 5.393 7.263 1.00 1.00 C ATOM 189 CZ TYR A 13 -0.822 4.358 7.533 1.00 1.00 C ATOM 190 OH TYR A 13 -1.951 4.613 8.242 1.00 1.00 O ATOM 0 H TYR A 13 3.717 4.681 7.557 1.00 1.00 H new ATOM 0 HA TYR A 13 3.185 1.925 7.080 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.461 4.306 5.227 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.855 2.732 4.751 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.818 1.758 6.016 1.00 1.00 H new ATOM 0 HD2 TYR A 13 2.000 5.901 6.349 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -1.282 2.257 7.260 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -0.101 6.400 7.595 1.00 1.00 H new ATOM 0 HH TYR A 13 -1.978 5.562 8.485 1.00 1.00 H new ATOM 200 N SER A 14 6.194 2.816 6.205 1.00 1.00 N ATOM 201 CA SER A 14 7.554 2.289 5.972 1.00 1.00 C ATOM 202 C SER A 14 8.066 1.441 7.147 1.00 1.00 C ATOM 203 O SER A 14 8.608 0.357 6.922 1.00 1.00 O ATOM 204 CB SER A 14 8.556 3.421 5.756 1.00 1.00 C ATOM 205 OG SER A 14 9.634 2.916 5.003 1.00 1.00 O ATOM 0 H SER A 14 6.177 3.828 6.328 1.00 1.00 H new ATOM 0 HA SER A 14 7.476 1.666 5.081 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.083 4.252 5.233 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.908 3.805 6.713 1.00 1.00 H new ATOM 0 HG SER A 14 10.409 3.508 5.103 1.00 1.00 H new ATOM 211 N VAL A 15 7.853 1.894 8.401 1.00 1.00 N ATOM 212 CA VAL A 15 8.157 1.109 9.625 1.00 1.00 C ATOM 213 C VAL A 15 7.440 -0.232 9.617 1.00 1.00 C ATOM 214 O VAL A 15 8.127 -1.242 9.724 1.00 1.00 O ATOM 215 CB VAL A 15 7.776 1.828 10.947 1.00 1.00 C ATOM 216 CG1 VAL A 15 7.941 0.887 12.164 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.618 3.091 11.136 1.00 1.00 C ATOM 0 H VAL A 15 7.464 2.816 8.598 1.00 1.00 H new ATOM 0 HA VAL A 15 9.239 0.980 9.599 1.00 1.00 H new ATOM 0 HB VAL A 15 6.726 2.114 10.879 1.00 1.00 H new ATOM 0 HG11 VAL A 15 7.667 1.419 13.075 1.00 1.00 H new ATOM 0 HG12 VAL A 15 7.294 0.018 12.042 1.00 1.00 H new ATOM 0 HG13 VAL A 15 8.979 0.560 12.233 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.336 3.580 12.068 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.674 2.822 11.172 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.445 3.772 10.302 1.00 1.00 H new ATOM 227 N ARG A 16 6.113 -0.257 9.406 1.00 1.00 N ATOM 228 CA ARG A 16 5.309 -1.489 9.375 1.00 1.00 C ATOM 229 C ARG A 16 5.714 -2.380 8.203 1.00 1.00 C ATOM 230 O ARG A 16 5.951 -3.554 8.422 1.00 1.00 O ATOM 231 CB ARG A 16 3.797 -1.189 9.396 1.00 1.00 C ATOM 232 CG ARG A 16 3.345 -0.457 10.678 1.00 1.00 C ATOM 233 CD ARG A 16 1.816 -0.387 10.797 1.00 1.00 C ATOM 234 NE ARG A 16 1.235 -1.657 11.283 1.00 1.00 N ATOM 235 CZ ARG A 16 0.867 -2.010 12.488 1.00 1.00 C ATOM 236 NH1 ARG A 16 0.949 -1.268 13.536 1.00 1.00 N ATOM 237 NH2 ARG A 16 0.410 -3.191 12.684 1.00 1.00 N ATOM 0 H ARG A 16 5.563 0.588 9.250 1.00 1.00 H new ATOM 0 HA ARG A 16 5.520 -2.047 10.287 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.541 -0.582 8.528 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.245 -2.125 9.305 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.753 -0.969 11.550 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.755 0.553 10.681 1.00 1.00 H new ATOM 0 HD2 ARG A 16 1.543 0.419 11.477 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.388 -0.142 9.825 1.00 1.00 H new ATOM 0 HE ARG A 16 1.100 -2.370 10.566 1.00 1.00 H new ATOM 0 HH11 ARG A 16 1.325 -0.323 13.463 1.00 1.00 H new ATOM 0 HH12 ARG A 16 0.638 -1.625 14.439 1.00 1.00 H new ATOM 0 HH21 ARG A 16 0.336 -3.845 11.905 1.00 1.00 H new ATOM 0 HH22 ARG A 16 0.120 -3.477 13.619 1.00 1.00 H new ATOM 251 N ALA A 17 5.967 -1.839 7.010 1.00 1.00 N ATOM 252 CA ALA A 17 6.517 -2.576 5.861 1.00 1.00 C ATOM 253 C ALA A 17 7.884 -3.263 6.147 1.00 1.00 C ATOM 254 O ALA A 17 8.068 -4.430 5.792 1.00 1.00 O ATOM 255 CB ALA A 17 6.559 -1.606 4.680 1.00 1.00 C ATOM 0 H ALA A 17 5.793 -0.855 6.807 1.00 1.00 H new ATOM 0 HA ALA A 17 5.869 -3.421 5.627 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.962 -2.116 3.805 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.551 -1.254 4.462 1.00 1.00 H new ATOM 0 HB3 ALA A 17 7.194 -0.756 4.930 1.00 1.00 H new ATOM 261 N LYS A 18 8.821 -2.559 6.812 1.00 1.00 N ATOM 262 CA LYS A 18 10.109 -3.080 7.329 1.00 1.00 C ATOM 263 C LYS A 18 9.895 -4.156 8.402 1.00 1.00 C ATOM 264 O LYS A 18 10.303 -5.302 8.228 1.00 1.00 O ATOM 265 CB LYS A 18 10.976 -1.910 7.847 1.00 1.00 C ATOM 266 CG LYS A 18 12.391 -2.310 8.344 1.00 1.00 C ATOM 267 CD LYS A 18 12.555 -2.398 9.882 1.00 1.00 C ATOM 268 CE LYS A 18 12.521 -3.836 10.427 1.00 1.00 C ATOM 269 NZ LYS A 18 12.360 -3.871 11.898 1.00 1.00 N ATOM 0 H LYS A 18 8.698 -1.567 7.014 1.00 1.00 H new ATOM 0 HA LYS A 18 10.642 -3.565 6.512 1.00 1.00 H new ATOM 0 HB2 LYS A 18 11.082 -1.176 7.049 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.446 -1.419 8.663 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.649 -3.277 7.912 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.110 -1.587 7.960 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.500 -1.934 10.165 1.00 1.00 H new ATOM 0 HD3 LYS A 18 11.762 -1.820 10.357 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.700 -4.381 9.960 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.442 -4.349 10.151 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.494 -4.844 12.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.067 -3.249 12.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.405 -3.545 12.151 1.00 1.00 H new ATOM 283 N ASP A 19 9.258 -3.789 9.511 1.00 1.00 N ATOM 284 CA ASP A 19 8.821 -4.650 10.619 1.00 1.00 C ATOM 285 C ASP A 19 8.136 -5.955 10.138 1.00 1.00 C ATOM 286 O ASP A 19 8.477 -7.036 10.617 1.00 1.00 O ATOM 287 CB ASP A 19 7.942 -3.807 11.572 1.00 1.00 C ATOM 288 CG ASP A 19 8.736 -2.877 12.519 1.00 1.00 C ATOM 289 OD1 ASP A 19 9.936 -2.572 12.279 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.135 -2.364 13.491 1.00 1.00 O ATOM 0 H ASP A 19 9.014 -2.813 9.676 1.00 1.00 H new ATOM 0 HA ASP A 19 9.694 -5.004 11.167 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.259 -3.201 10.976 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.330 -4.480 12.173 1.00 1.00 H new ATOM 295 N LEU A 20 7.237 -5.880 9.150 1.00 1.00 N ATOM 296 CA LEU A 20 6.605 -7.007 8.443 1.00 1.00 C ATOM 297 C LEU A 20 7.628 -7.933 7.741 1.00 1.00 C ATOM 298 O LEU A 20 7.558 -9.147 7.914 1.00 1.00 O ATOM 299 CB LEU A 20 5.551 -6.500 7.429 1.00 1.00 C ATOM 300 CG LEU A 20 4.095 -6.407 7.939 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.868 -5.721 9.292 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.260 -5.696 6.866 1.00 1.00 C ATOM 0 H LEU A 20 6.910 -4.980 8.800 1.00 1.00 H new ATOM 0 HA LEU A 20 6.109 -7.607 9.206 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.856 -5.512 7.085 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.567 -7.159 6.561 1.00 1.00 H new ATOM 0 HG LEU A 20 3.792 -7.439 8.118 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.804 -5.725 9.528 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.414 -6.257 10.068 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.225 -4.692 9.243 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.226 -5.618 7.202 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.662 -4.698 6.694 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.297 -6.267 5.938 1.00 1.00 H new ATOM 314 N ALA A 21 8.579 -7.387 6.963 1.00 1.00 N ATOM 315 CA ALA A 21 9.710 -8.134 6.381 1.00 1.00 C ATOM 316 C ALA A 21 10.523 -8.899 7.467 1.00 1.00 C ATOM 317 O ALA A 21 10.893 -10.055 7.267 1.00 1.00 O ATOM 318 CB ALA A 21 10.551 -7.208 5.484 1.00 1.00 C ATOM 0 H ALA A 21 8.584 -6.397 6.716 1.00 1.00 H new ATOM 0 HA ALA A 21 9.325 -8.921 5.732 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.383 -7.770 5.060 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.929 -6.818 4.679 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.938 -6.380 6.077 1.00 1.00 H new ATOM 324 N GLU A 22 10.804 -8.273 8.622 1.00 1.00 N ATOM 325 CA GLU A 22 11.410 -8.929 9.806 1.00 1.00 C ATOM 326 C GLU A 22 10.516 -10.067 10.373 1.00 1.00 C ATOM 327 O GLU A 22 11.023 -11.164 10.627 1.00 1.00 O ATOM 328 CB GLU A 22 11.771 -7.873 10.866 1.00 1.00 C ATOM 329 CG GLU A 22 12.714 -8.395 11.964 1.00 1.00 C ATOM 330 CD GLU A 22 13.402 -7.227 12.684 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.693 -6.311 13.165 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.656 -7.153 12.681 1.00 1.00 O ATOM 0 H GLU A 22 10.616 -7.281 8.767 1.00 1.00 H new ATOM 0 HA GLU A 22 12.333 -9.417 9.492 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.239 -7.021 10.373 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.854 -7.509 11.330 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.151 -8.991 12.682 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.465 -9.052 11.524 1.00 1.00 H new ATOM 339 N LYS A 23 9.192 -9.842 10.500 1.00 1.00 N ATOM 340 CA LYS A 23 8.110 -10.798 10.848 1.00 1.00 C ATOM 341 C LYS A 23 8.096 -12.033 9.926 1.00 1.00 C ATOM 342 O LYS A 23 8.054 -13.155 10.432 1.00 1.00 O ATOM 343 CB LYS A 23 6.763 -10.009 10.938 1.00 1.00 C ATOM 344 CG LYS A 23 5.474 -10.421 10.173 1.00 1.00 C ATOM 345 CD LYS A 23 4.660 -11.608 10.736 1.00 1.00 C ATOM 346 CE LYS A 23 3.126 -11.381 10.776 1.00 1.00 C ATOM 347 NZ LYS A 23 2.476 -11.218 9.442 1.00 1.00 N ATOM 0 H LYS A 23 8.815 -8.906 10.349 1.00 1.00 H new ATOM 0 HA LYS A 23 8.290 -11.237 11.829 1.00 1.00 H new ATOM 0 HB2 LYS A 23 6.496 -9.977 11.994 1.00 1.00 H new ATOM 0 HB3 LYS A 23 6.986 -8.986 10.635 1.00 1.00 H new ATOM 0 HG2 LYS A 23 4.817 -9.553 10.129 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.754 -10.661 9.147 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.867 -12.492 10.133 1.00 1.00 H new ATOM 0 HD3 LYS A 23 5.008 -11.823 11.746 1.00 1.00 H new ATOM 0 HE2 LYS A 23 2.663 -12.224 11.288 1.00 1.00 H new ATOM 0 HE3 LYS A 23 2.921 -10.493 11.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.454 -11.072 9.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.885 -10.396 8.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.635 -12.073 8.872 1.00 1.00 H new ATOM 361 N LEU A 24 8.218 -11.832 8.611 1.00 1.00 N ATOM 362 CA LEU A 24 8.372 -12.838 7.541 1.00 1.00 C ATOM 363 C LEU A 24 9.711 -13.620 7.635 1.00 1.00 C ATOM 364 O LEU A 24 9.699 -14.849 7.635 1.00 1.00 O ATOM 365 CB LEU A 24 8.216 -12.107 6.185 1.00 1.00 C ATOM 366 CG LEU A 24 6.744 -11.902 5.750 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.675 -11.024 4.494 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.028 -13.232 5.486 1.00 1.00 C ATOM 0 H LEU A 24 8.212 -10.886 8.230 1.00 1.00 H new ATOM 0 HA LEU A 24 7.601 -13.601 7.647 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.705 -11.135 6.249 1.00 1.00 H new ATOM 0 HB3 LEU A 24 8.737 -12.676 5.415 1.00 1.00 H new ATOM 0 HG LEU A 24 6.234 -11.405 6.575 1.00 1.00 H new ATOM 0 HD11 LEU A 24 5.634 -10.889 4.201 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.121 -10.052 4.704 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.221 -11.506 3.683 1.00 1.00 H new ATOM 0 HD21 LEU A 24 4.999 -13.038 5.184 1.00 1.00 H new ATOM 0 HD22 LEU A 24 6.544 -13.771 4.692 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.032 -13.834 6.395 1.00 1.00 H new ATOM 380 N SER A 25 10.851 -12.921 7.765 1.00 1.00 N ATOM 381 CA SER A 25 12.208 -13.468 8.039 1.00 1.00 C ATOM 382 C SER A 25 12.261 -14.373 9.294 1.00 1.00 C ATOM 383 O SER A 25 12.916 -15.414 9.289 1.00 1.00 O ATOM 384 CB SER A 25 13.199 -12.293 8.150 1.00 1.00 C ATOM 385 OG SER A 25 14.409 -12.593 8.823 1.00 1.00 O ATOM 0 H SER A 25 10.861 -11.905 7.679 1.00 1.00 H new ATOM 0 HA SER A 25 12.487 -14.116 7.208 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.437 -11.941 7.146 1.00 1.00 H new ATOM 0 HB3 SER A 25 12.707 -11.470 8.668 1.00 1.00 H new ATOM 0 HG SER A 25 14.906 -11.765 8.987 1.00 1.00 H new ATOM 391 N ASN A 26 11.589 -13.977 10.383 1.00 1.00 N ATOM 392 CA ASN A 26 11.394 -14.790 11.590 1.00 1.00 C ATOM 393 C ASN A 26 10.493 -16.028 11.326 1.00 1.00 C ATOM 394 O ASN A 26 10.842 -17.135 11.730 1.00 1.00 O ATOM 395 CB ASN A 26 10.851 -13.876 12.710 1.00 1.00 C ATOM 396 CG ASN A 26 10.751 -14.607 14.034 1.00 1.00 C ATOM 397 OD1 ASN A 26 11.623 -14.524 14.883 1.00 1.00 O ATOM 398 ND2 ASN A 26 9.731 -15.394 14.256 1.00 1.00 N ATOM 0 H ASN A 26 11.154 -13.057 10.450 1.00 1.00 H new ATOM 0 HA ASN A 26 12.349 -15.207 11.909 1.00 1.00 H new ATOM 0 HB2 ASN A 26 11.504 -13.010 12.821 1.00 1.00 H new ATOM 0 HB3 ASN A 26 9.868 -13.500 12.427 1.00 1.00 H new ATOM 0 HD21 ASN A 26 9.675 -15.924 15.126 1.00 1.00 H new ATOM 0 HD22 ASN A 26 8.991 -15.478 13.559 1.00 1.00 H new ATOM 405 N GLU A 27 9.341 -15.843 10.671 1.00 1.00 N ATOM 406 CA GLU A 27 8.309 -16.863 10.383 1.00 1.00 C ATOM 407 C GLU A 27 8.824 -17.997 9.461 1.00 1.00 C ATOM 408 O GLU A 27 8.578 -19.174 9.750 1.00 1.00 O ATOM 409 CB GLU A 27 7.089 -16.144 9.747 1.00 1.00 C ATOM 410 CG GLU A 27 6.012 -17.022 9.079 1.00 1.00 C ATOM 411 CD GLU A 27 5.079 -16.174 8.201 1.00 1.00 C ATOM 412 OE1 GLU A 27 4.348 -15.310 8.738 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.062 -16.354 6.957 1.00 1.00 O ATOM 0 H GLU A 27 9.083 -14.927 10.304 1.00 1.00 H new ATOM 0 HA GLU A 27 8.027 -17.349 11.317 1.00 1.00 H new ATOM 0 HB2 GLU A 27 6.605 -15.552 10.524 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.463 -15.444 9.000 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.490 -17.791 8.472 1.00 1.00 H new ATOM 0 HG3 GLU A 27 5.430 -17.536 9.844 1.00 1.00 H new ATOM 420 N ARG A 28 9.533 -17.650 8.373 1.00 1.00 N ATOM 421 CA ARG A 28 9.976 -18.541 7.273 1.00 1.00 C ATOM 422 C ARG A 28 11.498 -18.779 7.207 1.00 1.00 C ATOM 423 O ARG A 28 12.278 -18.161 7.928 1.00 1.00 O ATOM 424 CB ARG A 28 9.465 -17.993 5.921 1.00 1.00 C ATOM 425 CG ARG A 28 7.981 -17.572 5.873 1.00 1.00 C ATOM 426 CD ARG A 28 7.550 -17.244 4.437 1.00 1.00 C ATOM 427 NE ARG A 28 6.145 -16.802 4.370 1.00 1.00 N ATOM 428 CZ ARG A 28 5.314 -16.927 3.363 1.00 1.00 C ATOM 429 NH1 ARG A 28 5.611 -17.447 2.223 1.00 1.00 N ATOM 430 NH2 ARG A 28 4.100 -16.531 3.445 1.00 1.00 N ATOM 0 H ARG A 28 9.832 -16.686 8.224 1.00 1.00 H new ATOM 0 HA ARG A 28 9.540 -19.517 7.487 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.074 -17.131 5.648 1.00 1.00 H new ATOM 0 HB3 ARG A 28 9.630 -18.754 5.159 1.00 1.00 H new ATOM 0 HG2 ARG A 28 7.358 -18.374 6.269 1.00 1.00 H new ATOM 0 HG3 ARG A 28 7.825 -16.702 6.511 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.195 -16.463 4.034 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.684 -18.124 3.808 1.00 1.00 H new ATOM 0 HE ARG A 28 5.776 -16.346 5.204 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.553 -17.799 2.053 1.00 1.00 H new ATOM 0 HH12 ARG A 28 4.904 -17.507 1.490 1.00 1.00 H new ATOM 0 HH21 ARG A 28 3.759 -16.107 4.308 1.00 1.00 H new ATOM 0 HH22 ARG A 28 3.473 -16.639 2.648 1.00 1.00 H new ATOM 444 N ASP A 29 11.926 -19.685 6.327 1.00 1.00 N ATOM 445 CA ASP A 29 13.336 -20.042 6.050 1.00 1.00 C ATOM 446 C ASP A 29 13.962 -19.320 4.827 1.00 1.00 C ATOM 447 O ASP A 29 15.113 -18.882 4.868 1.00 1.00 O ATOM 448 CB ASP A 29 13.432 -21.572 5.878 1.00 1.00 C ATOM 449 CG ASP A 29 12.875 -22.072 4.534 1.00 1.00 C ATOM 450 OD1 ASP A 29 11.654 -21.929 4.295 1.00 1.00 O ATOM 451 OD2 ASP A 29 13.668 -22.516 3.669 1.00 1.00 O ATOM 0 H ASP A 29 11.274 -20.222 5.755 1.00 1.00 H new ATOM 0 HA ASP A 29 13.920 -19.700 6.904 1.00 1.00 H new ATOM 0 HB2 ASP A 29 14.475 -21.875 5.966 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.890 -22.056 6.690 1.00 1.00 H new ATOM 456 N ASP A 30 13.201 -19.186 3.738 1.00 1.00 N ATOM 457 CA ASP A 30 13.596 -18.695 2.396 1.00 1.00 C ATOM 458 C ASP A 30 13.832 -17.185 2.264 1.00 1.00 C ATOM 459 O ASP A 30 14.437 -16.727 1.298 1.00 1.00 O ATOM 460 CB ASP A 30 12.443 -19.033 1.442 1.00 1.00 C ATOM 461 CG ASP A 30 12.842 -19.198 -0.029 1.00 1.00 C ATOM 462 OD1 ASP A 30 13.565 -20.163 -0.366 1.00 1.00 O ATOM 463 OD2 ASP A 30 12.375 -18.393 -0.871 1.00 1.00 O ATOM 0 H ASP A 30 12.212 -19.435 3.764 1.00 1.00 H new ATOM 0 HA ASP A 30 14.551 -19.173 2.178 1.00 1.00 H new ATOM 0 HB2 ASP A 30 11.971 -19.956 1.780 1.00 1.00 H new ATOM 0 HB3 ASP A 30 11.692 -18.247 1.512 1.00 1.00 H new ATOM 468 N PHE A 31 13.402 -16.442 3.272 1.00 1.00 N ATOM 469 CA PHE A 31 13.326 -14.977 3.332 1.00 1.00 C ATOM 470 C PHE A 31 14.523 -14.313 4.051 1.00 1.00 C ATOM 471 O PHE A 31 14.700 -14.417 5.264 1.00 1.00 O ATOM 472 CB PHE A 31 11.978 -14.635 3.998 1.00 1.00 C ATOM 473 CG PHE A 31 11.499 -13.204 3.820 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.144 -12.140 4.490 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.368 -12.933 3.015 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.640 -10.827 4.388 1.00 1.00 C ATOM 477 CE2 PHE A 31 9.870 -11.621 2.909 1.00 1.00 C ATOM 478 CZ PHE A 31 10.486 -10.572 3.621 1.00 1.00 C ATOM 0 H PHE A 31 13.071 -16.871 4.136 1.00 1.00 H new ATOM 0 HA PHE A 31 13.383 -14.569 2.323 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.217 -15.306 3.600 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.058 -14.842 5.065 1.00 1.00 H new ATOM 0 HD1 PHE A 31 13.026 -12.333 5.082 1.00 1.00 H new ATOM 0 HD2 PHE A 31 9.884 -13.736 2.479 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.139 -10.016 4.898 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.015 -11.418 2.281 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.074 -9.575 3.579 1.00 1.00 H new ATOM 488 N GLN A 32 15.349 -13.617 3.266 1.00 1.00 N ATOM 489 CA GLN A 32 16.541 -12.832 3.642 1.00 1.00 C ATOM 490 C GLN A 32 16.288 -11.329 3.396 1.00 1.00 C ATOM 491 O GLN A 32 16.072 -10.912 2.253 1.00 1.00 O ATOM 492 CB GLN A 32 17.769 -13.352 2.858 1.00 1.00 C ATOM 493 CG GLN A 32 18.067 -14.862 3.027 1.00 1.00 C ATOM 494 CD GLN A 32 18.439 -15.258 4.456 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.593 -15.494 4.792 1.00 1.00 O ATOM 496 NE2 GLN A 32 17.523 -15.346 5.385 1.00 1.00 N ATOM 0 H GLN A 32 15.192 -13.581 2.259 1.00 1.00 H new ATOM 0 HA GLN A 32 16.746 -12.954 4.706 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.619 -13.144 1.799 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.647 -12.787 3.172 1.00 1.00 H new ATOM 0 HG2 GLN A 32 17.192 -15.433 2.717 1.00 1.00 H new ATOM 0 HG3 GLN A 32 18.882 -15.140 2.358 1.00 1.00 H new ATOM 0 HE21 GLN A 32 16.546 -15.159 5.158 1.00 1.00 H new ATOM 0 HE22 GLN A 32 17.785 -15.601 6.337 1.00 1.00 H new ATOM 505 N TYR A 33 16.332 -10.507 4.448 1.00 1.00 N ATOM 506 CA TYR A 33 15.955 -9.078 4.502 1.00 1.00 C ATOM 507 C TYR A 33 17.135 -8.083 4.641 1.00 1.00 C ATOM 508 O TYR A 33 18.048 -8.286 5.442 1.00 1.00 O ATOM 509 CB TYR A 33 14.812 -8.833 5.524 1.00 1.00 C ATOM 510 CG TYR A 33 15.164 -8.190 6.866 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.489 -6.812 6.917 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.127 -8.936 8.069 1.00 1.00 C ATOM 513 CE1 TYR A 33 15.782 -6.190 8.151 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.407 -8.313 9.311 1.00 1.00 C ATOM 515 CZ TYR A 33 15.729 -6.934 9.353 1.00 1.00 C ATOM 516 OH TYR A 33 15.956 -6.304 10.537 1.00 1.00 O ATOM 0 H TYR A 33 16.655 -10.841 5.356 1.00 1.00 H new ATOM 0 HA TYR A 33 15.565 -8.846 3.511 1.00 1.00 H new ATOM 0 HB2 TYR A 33 14.063 -8.205 5.041 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.339 -9.793 5.730 1.00 1.00 H new ATOM 0 HD1 TYR A 33 15.513 -6.233 6.006 1.00 1.00 H new ATOM 0 HD2 TYR A 33 14.884 -9.988 8.040 1.00 1.00 H new ATOM 0 HE1 TYR A 33 16.047 -5.143 8.177 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.375 -8.889 10.224 1.00 1.00 H new ATOM 0 HH TYR A 33 15.475 -6.769 11.253 1.00 1.00 H new ATOM 526 N GLN A 34 17.105 -6.977 3.884 1.00 1.00 N ATOM 527 CA GLN A 34 18.140 -5.930 3.787 1.00 1.00 C ATOM 528 C GLN A 34 17.500 -4.529 3.974 1.00 1.00 C ATOM 529 O GLN A 34 16.432 -4.236 3.439 1.00 1.00 O ATOM 530 CB GLN A 34 18.755 -5.963 2.366 1.00 1.00 C ATOM 531 CG GLN A 34 20.139 -5.293 2.258 1.00 1.00 C ATOM 532 CD GLN A 34 20.443 -4.837 0.829 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.420 -5.595 -0.128 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.719 -3.574 0.610 1.00 1.00 N ATOM 0 H GLN A 34 16.306 -6.774 3.283 1.00 1.00 H new ATOM 0 HA GLN A 34 18.893 -6.111 4.555 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.841 -7.001 2.044 1.00 1.00 H new ATOM 0 HB3 GLN A 34 18.071 -5.470 1.675 1.00 1.00 H new ATOM 0 HG2 GLN A 34 20.180 -4.435 2.929 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.908 -5.992 2.587 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.746 -2.915 1.388 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.907 -3.250 -0.339 1.00 1.00 H new ATOM 543 N TYR A 35 18.171 -3.648 4.720 1.00 1.00 N ATOM 544 CA TYR A 35 17.759 -2.268 5.033 1.00 1.00 C ATOM 545 C TYR A 35 18.619 -1.219 4.272 1.00 1.00 C ATOM 546 O TYR A 35 19.850 -1.235 4.365 1.00 1.00 O ATOM 547 CB TYR A 35 17.751 -2.037 6.560 1.00 1.00 C ATOM 548 CG TYR A 35 17.704 -0.561 6.930 1.00 1.00 C ATOM 549 CD1 TYR A 35 16.564 0.212 6.598 1.00 1.00 C ATOM 550 CD2 TYR A 35 18.870 0.075 7.418 1.00 1.00 C ATOM 551 CE1 TYR A 35 16.614 1.620 6.710 1.00 1.00 C ATOM 552 CE2 TYR A 35 18.920 1.483 7.524 1.00 1.00 C ATOM 553 CZ TYR A 35 17.800 2.258 7.144 1.00 1.00 C ATOM 554 OH TYR A 35 17.876 3.613 7.160 1.00 1.00 O ATOM 0 H TYR A 35 19.066 -3.887 5.148 1.00 1.00 H new ATOM 0 HA TYR A 35 16.738 -2.129 4.679 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.890 -2.544 6.996 1.00 1.00 H new ATOM 0 HB3 TYR A 35 18.642 -2.489 6.996 1.00 1.00 H new ATOM 0 HD1 TYR A 35 15.660 -0.273 6.261 1.00 1.00 H new ATOM 0 HD2 TYR A 35 19.724 -0.518 7.710 1.00 1.00 H new ATOM 0 HE1 TYR A 35 15.744 2.211 6.464 1.00 1.00 H new ATOM 0 HE2 TYR A 35 19.812 1.966 7.895 1.00 1.00 H new ATOM 0 HH TYR A 35 18.810 3.887 7.272 1.00 1.00 H new ATOM 564 N VAL A 36 17.986 -0.333 3.495 1.00 1.00 N ATOM 565 CA VAL A 36 18.587 0.783 2.716 1.00 1.00 C ATOM 566 C VAL A 36 17.926 2.129 3.047 1.00 1.00 C ATOM 567 O VAL A 36 16.705 2.270 3.038 1.00 1.00 O ATOM 568 CB VAL A 36 18.500 0.529 1.189 1.00 1.00 C ATOM 569 CG1 VAL A 36 19.213 1.634 0.385 1.00 1.00 C ATOM 570 CG2 VAL A 36 19.138 -0.817 0.806 1.00 1.00 C ATOM 0 H VAL A 36 16.973 -0.369 3.378 1.00 1.00 H new ATOM 0 HA VAL A 36 19.637 0.827 3.006 1.00 1.00 H new ATOM 0 HB VAL A 36 17.438 0.523 0.945 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.130 1.420 -0.681 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.749 2.597 0.599 1.00 1.00 H new ATOM 0 HG13 VAL A 36 20.265 1.668 0.667 1.00 1.00 H new ATOM 0 HG21 VAL A 36 19.060 -0.963 -0.271 1.00 1.00 H new ATOM 0 HG22 VAL A 36 20.188 -0.818 1.097 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.619 -1.625 1.321 1.00 1.00 H new ATOM 580 N ASP A 37 18.720 3.165 3.298 1.00 1.00 N ATOM 581 CA ASP A 37 18.297 4.545 3.589 1.00 1.00 C ATOM 582 C ASP A 37 18.095 5.457 2.353 1.00 1.00 C ATOM 583 O ASP A 37 19.051 5.941 1.757 1.00 1.00 O ATOM 584 CB ASP A 37 19.250 5.231 4.599 1.00 1.00 C ATOM 585 CG ASP A 37 20.338 4.368 5.255 1.00 1.00 C ATOM 586 OD1 ASP A 37 21.179 3.791 4.523 1.00 1.00 O ATOM 587 OD2 ASP A 37 20.342 4.281 6.506 1.00 1.00 O ATOM 0 H ASP A 37 19.735 3.066 3.306 1.00 1.00 H new ATOM 0 HA ASP A 37 17.307 4.424 4.029 1.00 1.00 H new ATOM 0 HB2 ASP A 37 19.742 6.058 4.087 1.00 1.00 H new ATOM 0 HB3 ASP A 37 18.642 5.664 5.393 1.00 1.00 H new ATOM 592 N ILE A 38 16.850 5.801 2.013 1.00 1.00 N ATOM 593 CA ILE A 38 16.515 6.811 0.964 1.00 1.00 C ATOM 594 C ILE A 38 16.853 8.238 1.454 1.00 1.00 C ATOM 595 O ILE A 38 17.345 9.081 0.709 1.00 1.00 O ATOM 596 CB ILE A 38 15.041 6.673 0.469 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.954 7.058 1.505 1.00 1.00 C ATOM 598 CG2 ILE A 38 14.819 5.243 -0.044 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.523 8.527 1.441 1.00 1.00 C ATOM 0 H ILE A 38 16.026 5.391 2.453 1.00 1.00 H new ATOM 0 HA ILE A 38 17.138 6.614 0.092 1.00 1.00 H new ATOM 0 HB ILE A 38 14.920 7.403 -0.331 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.079 6.427 1.350 1.00 1.00 H new ATOM 0 HG13 ILE A 38 14.329 6.843 2.506 1.00 1.00 H new ATOM 0 HG21 ILE A 38 13.792 5.137 -0.392 1.00 1.00 H new ATOM 0 HG22 ILE A 38 15.504 5.041 -0.868 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.004 4.534 0.763 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.761 8.716 2.197 1.00 1.00 H new ATOM 0 HD12 ILE A 38 14.385 9.168 1.627 1.00 1.00 H new ATOM 0 HD13 ILE A 38 13.116 8.744 0.453 1.00 1.00 H new ATOM 611 N ARG A 39 16.686 8.447 2.768 1.00 1.00 N ATOM 612 CA ARG A 39 16.981 9.618 3.614 1.00 1.00 C ATOM 613 C ARG A 39 18.483 9.821 3.924 1.00 1.00 C ATOM 614 O ARG A 39 18.855 10.821 4.538 1.00 1.00 O ATOM 615 CB ARG A 39 16.060 9.462 4.849 1.00 1.00 C ATOM 616 CG ARG A 39 16.181 10.483 5.997 1.00 1.00 C ATOM 617 CD ARG A 39 14.849 10.597 6.771 1.00 1.00 C ATOM 618 NE ARG A 39 13.948 11.533 6.074 1.00 1.00 N ATOM 619 CZ ARG A 39 12.658 11.540 5.876 1.00 1.00 C ATOM 620 NH1 ARG A 39 11.823 10.643 6.258 1.00 1.00 N ATOM 621 NH2 ARG A 39 12.128 12.506 5.231 1.00 1.00 N ATOM 0 H ARG A 39 16.288 7.701 3.339 1.00 1.00 H new ATOM 0 HA ARG A 39 16.766 10.552 3.095 1.00 1.00 H new ATOM 0 HB2 ARG A 39 15.029 9.482 4.497 1.00 1.00 H new ATOM 0 HB3 ARG A 39 16.235 8.471 5.268 1.00 1.00 H new ATOM 0 HG2 ARG A 39 16.977 10.180 6.677 1.00 1.00 H new ATOM 0 HG3 ARG A 39 16.458 11.458 5.595 1.00 1.00 H new ATOM 0 HD2 ARG A 39 14.379 9.617 6.852 1.00 1.00 H new ATOM 0 HD3 ARG A 39 15.036 10.945 7.787 1.00 1.00 H new ATOM 0 HE ARG A 39 14.428 12.335 5.665 1.00 1.00 H new ATOM 0 HH11 ARG A 39 12.152 9.825 6.771 1.00 1.00 H new ATOM 0 HH12 ARG A 39 10.830 10.748 6.049 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.712 13.263 4.876 1.00 1.00 H new ATOM 0 HH22 ARG A 39 11.121 12.521 5.071 1.00 1.00 H new ATOM 635 N ALA A 40 19.343 8.906 3.458 1.00 1.00 N ATOM 636 CA ALA A 40 20.815 9.012 3.504 1.00 1.00 C ATOM 637 C ALA A 40 21.478 8.839 2.112 1.00 1.00 C ATOM 638 O ALA A 40 22.177 9.739 1.648 1.00 1.00 O ATOM 639 CB ALA A 40 21.372 8.085 4.595 1.00 1.00 C ATOM 0 H ALA A 40 19.026 8.040 3.023 1.00 1.00 H new ATOM 0 HA ALA A 40 21.083 10.030 3.786 1.00 1.00 H new ATOM 0 HB1 ALA A 40 22.458 8.168 4.623 1.00 1.00 H new ATOM 0 HB2 ALA A 40 20.961 8.373 5.562 1.00 1.00 H new ATOM 0 HB3 ALA A 40 21.093 7.055 4.374 1.00 1.00 H new ATOM 645 N GLU A 41 21.138 7.776 1.368 1.00 1.00 N ATOM 646 CA GLU A 41 21.614 7.500 -0.018 1.00 1.00 C ATOM 647 C GLU A 41 21.180 8.551 -1.086 1.00 1.00 C ATOM 648 O GLU A 41 21.709 8.573 -2.202 1.00 1.00 O ATOM 649 CB GLU A 41 21.174 6.065 -0.415 1.00 1.00 C ATOM 650 CG GLU A 41 22.025 5.420 -1.529 1.00 1.00 C ATOM 651 CD GLU A 41 21.691 3.932 -1.768 1.00 1.00 C ATOM 652 OE1 GLU A 41 22.064 3.079 -0.925 1.00 1.00 O ATOM 653 OE2 GLU A 41 21.144 3.565 -2.836 1.00 1.00 O ATOM 0 H GLU A 41 20.505 7.055 1.715 1.00 1.00 H new ATOM 0 HA GLU A 41 22.701 7.581 -0.005 1.00 1.00 H new ATOM 0 HB2 GLU A 41 21.213 5.429 0.469 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.134 6.094 -0.741 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.876 5.972 -2.457 1.00 1.00 H new ATOM 0 HG3 GLU A 41 23.080 5.511 -1.270 1.00 1.00 H new ATOM 660 N GLY A 42 20.252 9.459 -0.741 1.00 1.00 N ATOM 661 CA GLY A 42 19.777 10.614 -1.528 1.00 1.00 C ATOM 662 C GLY A 42 18.670 10.235 -2.519 1.00 1.00 C ATOM 663 O GLY A 42 18.868 10.278 -3.735 1.00 1.00 O ATOM 0 H GLY A 42 19.778 9.403 0.161 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.406 11.383 -0.851 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.615 11.047 -2.073 1.00 1.00 H new ATOM 667 N ILE A 43 17.512 9.812 -2.002 1.00 1.00 N ATOM 668 CA ILE A 43 16.371 9.238 -2.751 1.00 1.00 C ATOM 669 C ILE A 43 15.008 9.659 -2.148 1.00 1.00 C ATOM 670 O ILE A 43 14.881 10.091 -1.001 1.00 1.00 O ATOM 671 CB ILE A 43 16.514 7.675 -2.824 1.00 1.00 C ATOM 672 CG1 ILE A 43 17.914 7.088 -3.151 1.00 1.00 C ATOM 673 CG2 ILE A 43 15.501 7.081 -3.821 1.00 1.00 C ATOM 674 CD1 ILE A 43 18.083 5.615 -2.733 1.00 1.00 C ATOM 0 H ILE A 43 17.328 9.860 -1.000 1.00 1.00 H new ATOM 0 HA ILE A 43 16.393 9.638 -3.765 1.00 1.00 H new ATOM 0 HB ILE A 43 16.320 7.381 -1.793 1.00 1.00 H new ATOM 0 HG12 ILE A 43 18.093 7.175 -4.223 1.00 1.00 H new ATOM 0 HG13 ILE A 43 18.675 7.687 -2.651 1.00 1.00 H new ATOM 0 HG21 ILE A 43 15.617 5.998 -3.856 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.488 7.327 -3.501 1.00 1.00 H new ATOM 0 HG23 ILE A 43 15.679 7.497 -4.812 1.00 1.00 H new ATOM 0 HD11 ILE A 43 19.085 5.276 -2.994 1.00 1.00 H new ATOM 0 HD12 ILE A 43 17.937 5.523 -1.657 1.00 1.00 H new ATOM 0 HD13 ILE A 43 17.346 5.003 -3.253 1.00 1.00 H new ATOM 686 N THR A 44 13.969 9.512 -2.966 1.00 1.00 N ATOM 687 CA THR A 44 12.558 9.892 -2.771 1.00 1.00 C ATOM 688 C THR A 44 11.584 8.929 -3.486 1.00 1.00 C ATOM 689 O THR A 44 11.982 8.213 -4.409 1.00 1.00 O ATOM 690 CB THR A 44 12.376 11.330 -3.289 1.00 1.00 C ATOM 691 OG1 THR A 44 11.049 11.709 -3.064 1.00 1.00 O ATOM 692 CG2 THR A 44 12.782 11.536 -4.751 1.00 1.00 C ATOM 0 H THR A 44 14.101 9.079 -3.880 1.00 1.00 H new ATOM 0 HA THR A 44 12.320 9.831 -1.709 1.00 1.00 H new ATOM 0 HB THR A 44 13.062 11.971 -2.735 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.698 12.161 -3.860 1.00 1.00 H new ATOM 0 HG21 THR A 44 12.620 12.577 -5.030 1.00 1.00 H new ATOM 0 HG22 THR A 44 13.836 11.287 -4.875 1.00 1.00 H new ATOM 0 HG23 THR A 44 12.179 10.891 -5.390 1.00 1.00 H new ATOM 700 N LYS A 45 10.288 8.936 -3.123 1.00 1.00 N ATOM 701 CA LYS A 45 9.214 8.170 -3.814 1.00 1.00 C ATOM 702 C LYS A 45 9.056 8.455 -5.324 1.00 1.00 C ATOM 703 O LYS A 45 8.668 7.550 -6.061 1.00 1.00 O ATOM 704 CB LYS A 45 7.887 8.225 -3.025 1.00 1.00 C ATOM 705 CG LYS A 45 7.225 9.600 -2.791 1.00 1.00 C ATOM 706 CD LYS A 45 6.493 10.220 -4.004 1.00 1.00 C ATOM 707 CE LYS A 45 5.445 11.230 -3.489 1.00 1.00 C ATOM 708 NZ LYS A 45 4.327 11.459 -4.432 1.00 1.00 N ATOM 0 H LYS A 45 9.944 9.479 -2.331 1.00 1.00 H new ATOM 0 HA LYS A 45 9.553 7.134 -3.810 1.00 1.00 H new ATOM 0 HB2 LYS A 45 7.166 7.594 -3.545 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.062 7.771 -2.050 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.511 9.502 -1.973 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.994 10.299 -2.461 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.206 10.718 -4.661 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.009 9.440 -4.592 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.042 10.871 -2.542 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.938 12.181 -3.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 3.699 12.196 -4.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 4.705 11.765 -5.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 3.791 10.577 -4.555 1.00 1.00 H new ATOM 722 N GLU A 46 9.430 9.652 -5.802 1.00 1.00 N ATOM 723 CA GLU A 46 9.485 9.988 -7.244 1.00 1.00 C ATOM 724 C GLU A 46 10.573 9.174 -7.992 1.00 1.00 C ATOM 725 O GLU A 46 10.332 8.693 -9.095 1.00 1.00 O ATOM 726 CB GLU A 46 9.815 11.480 -7.480 1.00 1.00 C ATOM 727 CG GLU A 46 8.681 12.469 -7.163 1.00 1.00 C ATOM 728 CD GLU A 46 8.546 12.784 -5.667 1.00 1.00 C ATOM 729 OE1 GLU A 46 9.384 12.348 -4.847 1.00 1.00 O ATOM 730 OE2 GLU A 46 7.602 13.497 -5.269 1.00 1.00 O ATOM 0 H GLU A 46 9.707 10.425 -5.197 1.00 1.00 H new ATOM 0 HA GLU A 46 8.493 9.747 -7.626 1.00 1.00 H new ATOM 0 HB2 GLU A 46 10.682 11.742 -6.874 1.00 1.00 H new ATOM 0 HB3 GLU A 46 10.105 11.609 -8.523 1.00 1.00 H new ATOM 0 HG2 GLU A 46 8.856 13.397 -7.708 1.00 1.00 H new ATOM 0 HG3 GLU A 46 7.739 12.059 -7.527 1.00 1.00 H new ATOM 737 N ASP A 47 11.769 9.022 -7.401 1.00 1.00 N ATOM 738 CA ASP A 47 12.887 8.184 -7.874 1.00 1.00 C ATOM 739 C ASP A 47 12.511 6.683 -7.898 1.00 1.00 C ATOM 740 O ASP A 47 12.653 6.008 -8.922 1.00 1.00 O ATOM 741 CB ASP A 47 14.109 8.392 -6.951 1.00 1.00 C ATOM 742 CG ASP A 47 15.376 7.768 -7.541 1.00 1.00 C ATOM 743 OD1 ASP A 47 15.625 6.575 -7.280 1.00 1.00 O ATOM 744 OD2 ASP A 47 16.123 8.461 -8.268 1.00 1.00 O ATOM 0 H ASP A 47 11.996 9.506 -6.533 1.00 1.00 H new ATOM 0 HA ASP A 47 13.125 8.486 -8.894 1.00 1.00 H new ATOM 0 HB2 ASP A 47 14.268 9.459 -6.793 1.00 1.00 H new ATOM 0 HB3 ASP A 47 13.907 7.952 -5.975 1.00 1.00 H new ATOM 749 N LEU A 48 12.015 6.176 -6.757 1.00 1.00 N ATOM 750 CA LEU A 48 11.733 4.757 -6.512 1.00 1.00 C ATOM 751 C LEU A 48 10.696 4.150 -7.481 1.00 1.00 C ATOM 752 O LEU A 48 10.817 2.961 -7.753 1.00 1.00 O ATOM 753 CB LEU A 48 11.394 4.520 -5.027 1.00 1.00 C ATOM 754 CG LEU A 48 12.565 4.823 -4.050 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.102 5.250 -2.648 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.536 3.644 -3.903 1.00 1.00 C ATOM 0 H LEU A 48 11.793 6.765 -5.954 1.00 1.00 H new ATOM 0 HA LEU A 48 12.648 4.207 -6.733 1.00 1.00 H new ATOM 0 HB2 LEU A 48 10.540 5.142 -4.757 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.086 3.482 -4.897 1.00 1.00 H new ATOM 0 HG LEU A 48 13.081 5.663 -4.515 1.00 1.00 H new ATOM 0 HD11 LEU A 48 12.972 5.445 -2.021 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.499 6.155 -2.724 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.506 4.453 -2.203 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.333 3.913 -3.209 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.999 2.776 -3.520 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.967 3.404 -4.875 1.00 1.00 H new ATOM 768 N GLN A 49 9.717 4.900 -8.030 1.00 1.00 N ATOM 769 CA GLN A 49 8.833 4.378 -9.109 1.00 1.00 C ATOM 770 C GLN A 49 9.624 4.166 -10.436 1.00 1.00 C ATOM 771 O GLN A 49 9.339 3.234 -11.192 1.00 1.00 O ATOM 772 CB GLN A 49 7.603 5.288 -9.393 1.00 1.00 C ATOM 773 CG GLN A 49 7.885 6.682 -9.982 1.00 1.00 C ATOM 774 CD GLN A 49 6.680 7.436 -10.540 1.00 1.00 C ATOM 775 OE1 GLN A 49 6.707 7.964 -11.644 1.00 1.00 O ATOM 776 NE2 GLN A 49 5.579 7.557 -9.844 1.00 1.00 N ATOM 0 H GLN A 49 9.515 5.860 -7.751 1.00 1.00 H new ATOM 0 HA GLN A 49 8.462 3.422 -8.739 1.00 1.00 H new ATOM 0 HB2 GLN A 49 6.941 4.758 -10.078 1.00 1.00 H new ATOM 0 HB3 GLN A 49 7.056 5.419 -8.459 1.00 1.00 H new ATOM 0 HG2 GLN A 49 8.343 7.295 -9.206 1.00 1.00 H new ATOM 0 HG3 GLN A 49 8.621 6.574 -10.779 1.00 1.00 H new ATOM 0 HE21 GLN A 49 5.511 7.133 -8.919 1.00 1.00 H new ATOM 0 HE22 GLN A 49 4.788 8.075 -10.227 1.00 1.00 H new ATOM 785 N GLN A 50 10.612 5.038 -10.725 1.00 1.00 N ATOM 786 CA GLN A 50 11.389 5.149 -11.976 1.00 1.00 C ATOM 787 C GLN A 50 12.449 4.051 -12.123 1.00 1.00 C ATOM 788 O GLN A 50 12.279 3.187 -12.984 1.00 1.00 O ATOM 789 CB GLN A 50 12.019 6.551 -12.142 1.00 1.00 C ATOM 790 CG GLN A 50 10.986 7.685 -12.261 1.00 1.00 C ATOM 791 CD GLN A 50 11.635 9.063 -12.292 1.00 1.00 C ATOM 792 OE1 GLN A 50 12.495 9.358 -13.101 1.00 1.00 O ATOM 793 NE2 GLN A 50 11.315 9.941 -11.375 1.00 1.00 N ATOM 0 H GLN A 50 10.909 5.733 -10.040 1.00 1.00 H new ATOM 0 HA GLN A 50 10.671 5.004 -12.783 1.00 1.00 H new ATOM 0 HB2 GLN A 50 12.668 6.751 -11.289 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.651 6.553 -13.030 1.00 1.00 H new ATOM 0 HG2 GLN A 50 10.398 7.543 -13.168 1.00 1.00 H new ATOM 0 HG3 GLN A 50 10.294 7.632 -11.421 1.00 1.00 H new ATOM 0 HE21 GLN A 50 10.597 9.719 -10.685 1.00 1.00 H new ATOM 0 HE22 GLN A 50 11.783 10.847 -11.351 1.00 1.00 H new ATOM 802 N LYS A 51 13.497 4.019 -11.276 1.00 1.00 N ATOM 803 CA LYS A 51 14.526 2.939 -11.271 1.00 1.00 C ATOM 804 C LYS A 51 13.952 1.507 -11.140 1.00 1.00 C ATOM 805 O LYS A 51 14.575 0.544 -11.589 1.00 1.00 O ATOM 806 CB LYS A 51 15.618 3.230 -10.218 1.00 1.00 C ATOM 807 CG LYS A 51 16.481 4.464 -10.576 1.00 1.00 C ATOM 808 CD LYS A 51 17.949 4.345 -10.123 1.00 1.00 C ATOM 809 CE LYS A 51 18.153 4.344 -8.604 1.00 1.00 C ATOM 810 NZ LYS A 51 18.039 5.703 -8.033 1.00 1.00 N ATOM 0 H LYS A 51 13.662 4.738 -10.572 1.00 1.00 H new ATOM 0 HA LYS A 51 14.984 2.955 -12.260 1.00 1.00 H new ATOM 0 HB2 LYS A 51 15.148 3.390 -9.248 1.00 1.00 H new ATOM 0 HB3 LYS A 51 16.263 2.357 -10.119 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.454 4.615 -11.655 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.040 5.350 -10.119 1.00 1.00 H new ATOM 0 HD2 LYS A 51 18.368 3.426 -10.533 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.515 5.172 -10.551 1.00 1.00 H new ATOM 0 HE2 LYS A 51 17.414 3.691 -8.139 1.00 1.00 H new ATOM 0 HE3 LYS A 51 19.135 3.933 -8.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 18.783 5.844 -7.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 18.147 6.408 -8.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 17.106 5.815 -7.586 1.00 1.00 H new ATOM 824 N ALA A 52 12.742 1.385 -10.594 1.00 1.00 N ATOM 825 CA ALA A 52 11.903 0.191 -10.492 1.00 1.00 C ATOM 826 C ALA A 52 11.050 -0.169 -11.738 1.00 1.00 C ATOM 827 O ALA A 52 10.886 -1.353 -12.032 1.00 1.00 O ATOM 828 CB ALA A 52 10.943 0.469 -9.335 1.00 1.00 C ATOM 0 H ALA A 52 12.283 2.193 -10.174 1.00 1.00 H new ATOM 0 HA ALA A 52 12.573 -0.659 -10.364 1.00 1.00 H new ATOM 0 HB1 ALA A 52 10.280 -0.386 -9.199 1.00 1.00 H new ATOM 0 HB2 ALA A 52 11.513 0.636 -8.421 1.00 1.00 H new ATOM 0 HB3 ALA A 52 10.350 1.356 -9.559 1.00 1.00 H new ATOM 834 N GLY A 53 10.463 0.817 -12.433 1.00 1.00 N ATOM 835 CA GLY A 53 9.480 0.626 -13.522 1.00 1.00 C ATOM 836 C GLY A 53 8.069 0.203 -13.039 1.00 1.00 C ATOM 837 O GLY A 53 7.261 -0.258 -13.845 1.00 1.00 O ATOM 0 H GLY A 53 10.662 1.801 -12.251 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.395 1.555 -14.086 1.00 1.00 H new ATOM 0 HA3 GLY A 53 9.858 -0.131 -14.209 1.00 1.00 H new ATOM 841 N LYS A 54 7.776 0.316 -11.729 1.00 1.00 N ATOM 842 CA LYS A 54 6.507 -0.002 -11.037 1.00 1.00 C ATOM 843 C LYS A 54 5.805 1.331 -10.663 1.00 1.00 C ATOM 844 O LYS A 54 6.405 2.111 -9.913 1.00 1.00 O ATOM 845 CB LYS A 54 6.799 -0.919 -9.818 1.00 1.00 C ATOM 846 CG LYS A 54 5.548 -1.555 -9.171 1.00 1.00 C ATOM 847 CD LYS A 54 4.889 -2.698 -9.978 1.00 1.00 C ATOM 848 CE LYS A 54 5.712 -3.994 -10.102 1.00 1.00 C ATOM 849 NZ LYS A 54 5.655 -4.829 -8.876 1.00 1.00 N ATOM 0 H LYS A 54 8.476 0.660 -11.072 1.00 1.00 H new ATOM 0 HA LYS A 54 5.824 -0.558 -11.679 1.00 1.00 H new ATOM 0 HB2 LYS A 54 7.472 -1.716 -10.134 1.00 1.00 H new ATOM 0 HB3 LYS A 54 7.326 -0.337 -9.062 1.00 1.00 H new ATOM 0 HG2 LYS A 54 5.824 -1.939 -8.189 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.806 -0.773 -9.010 1.00 1.00 H new ATOM 0 HD2 LYS A 54 3.933 -2.940 -9.514 1.00 1.00 H new ATOM 0 HD3 LYS A 54 4.672 -2.331 -10.981 1.00 1.00 H new ATOM 0 HE2 LYS A 54 5.344 -4.574 -10.949 1.00 1.00 H new ATOM 0 HE3 LYS A 54 6.750 -3.741 -10.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 6.253 -5.671 -9.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 5.999 -4.278 -8.064 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 4.673 -5.124 -8.702 1.00 1.00 H new ATOM 863 N PRO A 55 4.591 1.638 -11.177 1.00 1.00 N ATOM 864 CA PRO A 55 3.926 2.946 -11.024 1.00 1.00 C ATOM 865 C PRO A 55 3.402 3.221 -9.593 1.00 1.00 C ATOM 866 O PRO A 55 2.216 3.051 -9.298 1.00 1.00 O ATOM 867 CB PRO A 55 2.839 2.952 -12.112 1.00 1.00 C ATOM 868 CG PRO A 55 2.428 1.485 -12.207 1.00 1.00 C ATOM 869 CD PRO A 55 3.762 0.764 -12.010 1.00 1.00 C ATOM 0 HA PRO A 55 4.623 3.773 -11.157 1.00 1.00 H new ATOM 0 HB2 PRO A 55 1.998 3.588 -11.837 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.223 3.324 -13.062 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.702 1.215 -11.440 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.976 1.250 -13.171 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.613 -0.202 -11.529 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.244 0.572 -12.969 1.00 1.00 H new ATOM 877 N VAL A 56 4.295 3.656 -8.691 1.00 1.00 N ATOM 878 CA VAL A 56 3.975 4.045 -7.290 1.00 1.00 C ATOM 879 C VAL A 56 3.492 5.503 -7.131 1.00 1.00 C ATOM 880 O VAL A 56 3.816 6.391 -7.930 1.00 1.00 O ATOM 881 CB VAL A 56 5.115 3.747 -6.277 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.737 2.350 -6.466 1.00 1.00 C ATOM 883 CG2 VAL A 56 6.255 4.789 -6.185 1.00 1.00 C ATOM 0 H VAL A 56 5.286 3.753 -8.911 1.00 1.00 H new ATOM 0 HA VAL A 56 3.135 3.396 -7.044 1.00 1.00 H new ATOM 0 HB VAL A 56 4.577 3.802 -5.331 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.527 2.201 -5.730 1.00 1.00 H new ATOM 0 HG12 VAL A 56 4.968 1.589 -6.333 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.156 2.271 -7.469 1.00 1.00 H new ATOM 0 HG21 VAL A 56 6.986 4.465 -5.444 1.00 1.00 H new ATOM 0 HG22 VAL A 56 6.741 4.884 -7.156 1.00 1.00 H new ATOM 0 HG23 VAL A 56 5.843 5.754 -5.890 1.00 1.00 H new ATOM 893 N GLU A 57 2.814 5.776 -6.017 1.00 1.00 N ATOM 894 CA GLU A 57 2.277 7.090 -5.607 1.00 1.00 C ATOM 895 C GLU A 57 2.956 7.624 -4.323 1.00 1.00 C ATOM 896 O GLU A 57 3.413 8.768 -4.270 1.00 1.00 O ATOM 897 CB GLU A 57 0.736 6.944 -5.480 1.00 1.00 C ATOM 898 CG GLU A 57 -0.084 8.243 -5.392 1.00 1.00 C ATOM 899 CD GLU A 57 0.055 8.964 -4.044 1.00 1.00 C ATOM 900 OE1 GLU A 57 -0.307 8.380 -2.989 1.00 1.00 O ATOM 901 OE2 GLU A 57 0.566 10.108 -4.032 1.00 1.00 O ATOM 0 H GLU A 57 2.608 5.050 -5.331 1.00 1.00 H new ATOM 0 HA GLU A 57 2.502 7.847 -6.359 1.00 1.00 H new ATOM 0 HB2 GLU A 57 0.378 6.375 -6.338 1.00 1.00 H new ATOM 0 HB3 GLU A 57 0.524 6.349 -4.592 1.00 1.00 H new ATOM 0 HG2 GLU A 57 0.230 8.916 -6.189 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -1.135 8.012 -5.565 1.00 1.00 H new ATOM 908 N THR A 58 3.056 6.763 -3.308 1.00 1.00 N ATOM 909 CA THR A 58 3.482 6.949 -1.898 1.00 1.00 C ATOM 910 C THR A 58 4.131 5.680 -1.299 1.00 1.00 C ATOM 911 O THR A 58 4.488 4.742 -2.009 1.00 1.00 O ATOM 912 CB THR A 58 2.372 7.530 -0.996 1.00 1.00 C ATOM 913 OG1 THR A 58 1.123 6.977 -1.270 1.00 1.00 O ATOM 914 CG2 THR A 58 2.247 9.049 -1.114 1.00 1.00 C ATOM 0 H THR A 58 2.810 5.786 -3.466 1.00 1.00 H new ATOM 0 HA THR A 58 4.263 7.708 -1.927 1.00 1.00 H new ATOM 0 HB THR A 58 2.678 7.270 0.017 1.00 1.00 H new ATOM 0 HG1 THR A 58 0.647 7.546 -1.911 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.451 9.401 -0.457 1.00 1.00 H new ATOM 0 HG22 THR A 58 3.189 9.515 -0.824 1.00 1.00 H new ATOM 0 HG23 THR A 58 2.012 9.316 -2.144 1.00 1.00 H new ATOM 922 N VAL A 59 4.499 5.727 -0.009 1.00 1.00 N ATOM 923 CA VAL A 59 5.157 4.598 0.711 1.00 1.00 C ATOM 924 C VAL A 59 4.113 3.569 1.209 1.00 1.00 C ATOM 925 O VAL A 59 2.963 3.939 1.449 1.00 1.00 O ATOM 926 CB VAL A 59 5.974 5.040 1.966 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.482 4.986 1.687 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.546 6.400 2.533 1.00 1.00 C ATOM 0 H VAL A 59 4.353 6.549 0.577 1.00 1.00 H new ATOM 0 HA VAL A 59 5.836 4.168 -0.026 1.00 1.00 H new ATOM 0 HB VAL A 59 5.744 4.318 2.749 1.00 1.00 H new ATOM 0 HG11 VAL A 59 8.028 5.299 2.577 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.767 3.967 1.425 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.723 5.654 0.860 1.00 1.00 H new ATOM 0 HG21 VAL A 59 6.157 6.640 3.403 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.679 7.169 1.772 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.497 6.358 2.827 1.00 1.00 H new ATOM 938 N PRO A 60 4.504 2.292 1.420 1.00 1.00 N ATOM 939 CA PRO A 60 5.881 1.747 1.390 1.00 1.00 C ATOM 940 C PRO A 60 6.574 1.651 0.011 1.00 1.00 C ATOM 941 O PRO A 60 5.968 1.864 -1.039 1.00 1.00 O ATOM 942 CB PRO A 60 5.767 0.381 2.056 1.00 1.00 C ATOM 943 CG PRO A 60 4.345 -0.062 1.704 1.00 1.00 C ATOM 944 CD PRO A 60 3.539 1.222 1.635 1.00 1.00 C ATOM 0 HA PRO A 60 6.540 2.446 1.905 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.512 -0.317 1.674 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.914 0.445 3.134 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.322 -0.594 0.753 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.945 -0.739 2.458 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.812 1.183 0.823 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.979 1.381 2.557 1.00 1.00 H new ATOM 952 N GLN A 61 7.885 1.376 0.040 1.00 1.00 N ATOM 953 CA GLN A 61 8.833 1.248 -1.069 1.00 1.00 C ATOM 954 C GLN A 61 9.866 0.127 -0.761 1.00 1.00 C ATOM 955 O GLN A 61 10.972 0.352 -0.275 1.00 1.00 O ATOM 956 CB GLN A 61 9.500 2.613 -1.374 1.00 1.00 C ATOM 957 CG GLN A 61 8.549 3.738 -1.850 1.00 1.00 C ATOM 958 CD GLN A 61 7.961 3.495 -3.239 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.639 3.517 -4.246 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.705 3.212 -3.432 1.00 1.00 N ATOM 0 H GLN A 61 8.353 1.223 0.933 1.00 1.00 H new ATOM 0 HA GLN A 61 8.300 0.953 -1.973 1.00 1.00 H new ATOM 0 HB2 GLN A 61 10.013 2.954 -0.475 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.262 2.461 -2.138 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.735 3.841 -1.133 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.092 4.683 -1.855 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.064 3.172 -2.640 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.362 3.030 -4.375 1.00 1.00 H new ATOM 969 N ILE A 62 9.460 -1.118 -1.003 1.00 1.00 N ATOM 970 CA ILE A 62 10.247 -2.387 -0.911 1.00 1.00 C ATOM 971 C ILE A 62 10.608 -3.035 -2.280 1.00 1.00 C ATOM 972 O ILE A 62 9.968 -2.811 -3.307 1.00 1.00 O ATOM 973 CB ILE A 62 9.579 -3.347 0.117 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.880 -2.840 1.557 1.00 1.00 C ATOM 975 CG2 ILE A 62 10.027 -4.820 0.001 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.909 -3.351 2.621 1.00 1.00 C ATOM 0 H ILE A 62 8.499 -1.301 -1.293 1.00 1.00 H new ATOM 0 HA ILE A 62 11.236 -2.135 -0.527 1.00 1.00 H new ATOM 0 HB ILE A 62 8.512 -3.333 -0.105 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.891 -3.140 1.831 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.860 -1.750 1.557 1.00 1.00 H new ATOM 0 HG21 ILE A 62 9.513 -5.417 0.754 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.782 -5.198 -0.992 1.00 1.00 H new ATOM 0 HG23 ILE A 62 11.104 -4.886 0.158 1.00 1.00 H new ATOM 0 HD11 ILE A 62 9.192 -2.950 3.594 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.897 -3.028 2.375 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.945 -4.440 2.653 1.00 1.00 H new ATOM 988 N PHE A 63 11.716 -3.785 -2.330 1.00 1.00 N ATOM 989 CA PHE A 63 12.198 -4.571 -3.476 1.00 1.00 C ATOM 990 C PHE A 63 12.434 -6.047 -3.084 1.00 1.00 C ATOM 991 O PHE A 63 13.503 -6.422 -2.600 1.00 1.00 O ATOM 992 CB PHE A 63 13.456 -3.905 -4.080 1.00 1.00 C ATOM 993 CG PHE A 63 13.246 -2.619 -4.879 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.858 -1.427 -4.222 1.00 1.00 C ATOM 995 CD2 PHE A 63 13.546 -2.571 -6.261 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.789 -0.204 -4.923 1.00 1.00 C ATOM 997 CE2 PHE A 63 13.490 -1.345 -6.963 1.00 1.00 C ATOM 998 CZ PHE A 63 13.125 -0.160 -6.290 1.00 1.00 C ATOM 0 H PHE A 63 12.337 -3.865 -1.525 1.00 1.00 H new ATOM 0 HA PHE A 63 11.429 -4.583 -4.249 1.00 1.00 H new ATOM 0 HB2 PHE A 63 14.148 -3.689 -3.266 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.945 -4.631 -4.730 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.612 -1.454 -3.171 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.819 -3.476 -6.783 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.479 0.696 -4.412 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.727 -1.316 -8.016 1.00 1.00 H new ATOM 0 HZ PHE A 63 13.103 0.779 -6.822 1.00 1.00 H new ATOM 1008 N VAL A 64 11.402 -6.881 -3.245 1.00 1.00 N ATOM 1009 CA VAL A 64 11.439 -8.360 -3.094 1.00 1.00 C ATOM 1010 C VAL A 64 11.977 -8.977 -4.399 1.00 1.00 C ATOM 1011 O VAL A 64 11.776 -8.423 -5.475 1.00 1.00 O ATOM 1012 CB VAL A 64 10.047 -8.960 -2.784 1.00 1.00 C ATOM 1013 CG1 VAL A 64 10.147 -10.432 -2.357 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.330 -8.209 -1.650 1.00 1.00 C ATOM 0 H VAL A 64 10.473 -6.541 -3.495 1.00 1.00 H new ATOM 0 HA VAL A 64 12.088 -8.593 -2.250 1.00 1.00 H new ATOM 0 HB VAL A 64 9.480 -8.867 -3.711 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.150 -10.819 -2.148 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.601 -11.014 -3.160 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.762 -10.510 -1.460 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.357 -8.666 -1.469 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.931 -8.262 -0.742 1.00 1.00 H new ATOM 0 HG23 VAL A 64 9.193 -7.166 -1.934 1.00 1.00 H new ATOM 1024 N ASP A 65 12.705 -10.094 -4.348 1.00 1.00 N ATOM 1025 CA ASP A 65 13.411 -10.691 -5.494 1.00 1.00 C ATOM 1026 C ASP A 65 14.285 -9.700 -6.335 1.00 1.00 C ATOM 1027 O ASP A 65 14.650 -9.992 -7.476 1.00 1.00 O ATOM 1028 CB ASP A 65 12.455 -11.635 -6.276 1.00 1.00 C ATOM 1029 CG ASP A 65 11.016 -11.152 -6.563 1.00 1.00 C ATOM 1030 OD1 ASP A 65 10.762 -10.544 -7.628 1.00 1.00 O ATOM 1031 OD2 ASP A 65 10.106 -11.510 -5.776 1.00 1.00 O ATOM 0 H ASP A 65 12.826 -10.627 -3.487 1.00 1.00 H new ATOM 0 HA ASP A 65 14.205 -11.329 -5.107 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.925 -11.865 -7.232 1.00 1.00 H new ATOM 0 HB3 ASP A 65 12.386 -12.571 -5.722 1.00 1.00 H new ATOM 1036 N GLN A 66 14.732 -8.573 -5.741 1.00 1.00 N ATOM 1037 CA GLN A 66 15.434 -7.419 -6.370 1.00 1.00 C ATOM 1038 C GLN A 66 14.587 -6.662 -7.444 1.00 1.00 C ATOM 1039 O GLN A 66 15.106 -6.033 -8.373 1.00 1.00 O ATOM 1040 CB GLN A 66 16.859 -7.850 -6.804 1.00 1.00 C ATOM 1041 CG GLN A 66 17.885 -6.710 -6.928 1.00 1.00 C ATOM 1042 CD GLN A 66 19.283 -7.242 -7.240 1.00 1.00 C ATOM 1043 OE1 GLN A 66 19.733 -7.309 -8.374 1.00 1.00 O ATOM 1044 NE2 GLN A 66 20.048 -7.681 -6.274 1.00 1.00 N ATOM 0 H GLN A 66 14.606 -8.429 -4.739 1.00 1.00 H new ATOM 0 HA GLN A 66 15.563 -6.638 -5.621 1.00 1.00 H new ATOM 0 HB2 GLN A 66 17.235 -8.577 -6.085 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.789 -8.359 -7.765 1.00 1.00 H new ATOM 0 HG2 GLN A 66 17.573 -6.023 -7.714 1.00 1.00 H new ATOM 0 HG3 GLN A 66 17.911 -6.141 -5.999 1.00 1.00 H new ATOM 0 HE21 GLN A 66 19.720 -7.648 -5.309 1.00 1.00 H new ATOM 0 HE22 GLN A 66 20.972 -8.056 -6.486 1.00 1.00 H new ATOM 1053 N GLN A 67 13.259 -6.710 -7.288 1.00 1.00 N ATOM 1054 CA GLN A 67 12.163 -6.152 -8.098 1.00 1.00 C ATOM 1055 C GLN A 67 11.151 -5.425 -7.171 1.00 1.00 C ATOM 1056 O GLN A 67 10.809 -5.898 -6.084 1.00 1.00 O ATOM 1057 CB GLN A 67 11.575 -7.327 -8.914 1.00 1.00 C ATOM 1058 CG GLN A 67 10.225 -7.093 -9.618 1.00 1.00 C ATOM 1059 CD GLN A 67 8.977 -7.275 -8.751 1.00 1.00 C ATOM 1060 OE1 GLN A 67 8.024 -6.512 -8.828 1.00 1.00 O ATOM 1061 NE2 GLN A 67 8.878 -8.298 -7.939 1.00 1.00 N ATOM 0 H GLN A 67 12.875 -7.207 -6.484 1.00 1.00 H new ATOM 0 HA GLN A 67 12.491 -5.388 -8.803 1.00 1.00 H new ATOM 0 HB2 GLN A 67 12.306 -7.610 -9.672 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.463 -8.180 -8.244 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.219 -6.080 -10.021 1.00 1.00 H new ATOM 0 HG3 GLN A 67 10.157 -7.774 -10.466 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.653 -8.955 -7.849 1.00 1.00 H new ATOM 0 HE22 GLN A 67 8.026 -8.438 -7.396 1.00 1.00 H new ATOM 1070 N HIS A 68 10.685 -4.225 -7.544 1.00 1.00 N ATOM 1071 CA HIS A 68 9.863 -3.379 -6.655 1.00 1.00 C ATOM 1072 C HIS A 68 8.435 -3.903 -6.402 1.00 1.00 C ATOM 1073 O HIS A 68 7.536 -3.741 -7.220 1.00 1.00 O ATOM 1074 CB HIS A 68 9.840 -1.923 -7.132 1.00 1.00 C ATOM 1075 CG HIS A 68 9.232 -0.925 -6.158 1.00 1.00 C ATOM 1076 ND1 HIS A 68 8.525 -1.188 -4.992 1.00 1.00 N ATOM 1077 CD2 HIS A 68 9.266 0.429 -6.312 1.00 1.00 C ATOM 1078 CE1 HIS A 68 8.075 -0.021 -4.501 1.00 1.00 C ATOM 1079 NE2 HIS A 68 8.574 0.976 -5.257 1.00 1.00 N ATOM 0 H HIS A 68 10.862 -3.813 -8.460 1.00 1.00 H new ATOM 0 HA HIS A 68 10.360 -3.428 -5.686 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.862 -1.614 -7.351 1.00 1.00 H new ATOM 0 HB3 HIS A 68 9.285 -1.874 -8.069 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.747 0.971 -7.113 1.00 1.00 H new ATOM 0 HE1 HIS A 68 7.425 0.097 -3.647 1.00 1.00 H new ATOM 0 HE2 HIS A 68 8.458 1.973 -5.077 1.00 1.00 H new ATOM 1088 N ILE A 69 8.230 -4.376 -5.176 1.00 1.00 N ATOM 1089 CA ILE A 69 6.971 -4.793 -4.524 1.00 1.00 C ATOM 1090 C ILE A 69 6.617 -3.724 -3.482 1.00 1.00 C ATOM 1091 O ILE A 69 7.463 -3.405 -2.652 1.00 1.00 O ATOM 1092 CB ILE A 69 7.167 -6.172 -3.843 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.451 -7.312 -4.852 1.00 1.00 C ATOM 1094 CG2 ILE A 69 6.002 -6.570 -2.915 1.00 1.00 C ATOM 1095 CD1 ILE A 69 6.473 -7.404 -6.032 1.00 1.00 C ATOM 0 H ILE A 69 9.019 -4.493 -4.540 1.00 1.00 H new ATOM 0 HA ILE A 69 6.166 -4.889 -5.253 1.00 1.00 H new ATOM 0 HB ILE A 69 8.053 -6.039 -3.223 1.00 1.00 H new ATOM 0 HG12 ILE A 69 8.459 -7.183 -5.246 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.438 -8.261 -4.316 1.00 1.00 H new ATOM 0 HG21 ILE A 69 6.206 -7.545 -2.473 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.897 -5.827 -2.124 1.00 1.00 H new ATOM 0 HG23 ILE A 69 5.078 -6.619 -3.491 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.760 -8.234 -6.678 1.00 1.00 H new ATOM 0 HD12 ILE A 69 5.463 -7.569 -5.656 1.00 1.00 H new ATOM 0 HD13 ILE A 69 6.501 -6.475 -6.601 1.00 1.00 H new ATOM 1107 N GLY A 70 5.415 -3.141 -3.511 1.00 1.00 N ATOM 1108 CA GLY A 70 4.985 -2.031 -2.632 1.00 1.00 C ATOM 1109 C GLY A 70 5.609 -2.036 -1.220 1.00 1.00 C ATOM 1110 O GLY A 70 6.425 -1.179 -0.872 1.00 1.00 O ATOM 0 H GLY A 70 4.687 -3.432 -4.164 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.231 -1.087 -3.118 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.900 -2.065 -2.533 1.00 1.00 H new ATOM 1114 N GLY A 71 5.287 -3.071 -0.438 1.00 1.00 N ATOM 1115 CA GLY A 71 5.603 -3.274 0.979 1.00 1.00 C ATOM 1116 C GLY A 71 4.329 -3.628 1.738 1.00 1.00 C ATOM 1117 O GLY A 71 3.499 -4.316 1.173 1.00 1.00 O ATOM 0 H GLY A 71 4.753 -3.855 -0.812 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.338 -4.072 1.088 1.00 1.00 H new ATOM 0 HA3 GLY A 71 6.049 -2.371 1.396 1.00 1.00 H new ATOM 1121 N TYR A 72 4.116 -3.133 2.959 1.00 1.00 N ATOM 1122 CA TYR A 72 2.967 -3.417 3.861 1.00 1.00 C ATOM 1123 C TYR A 72 1.604 -3.688 3.157 1.00 1.00 C ATOM 1124 O TYR A 72 0.982 -4.695 3.474 1.00 1.00 O ATOM 1125 CB TYR A 72 2.924 -2.243 4.872 1.00 1.00 C ATOM 1126 CG TYR A 72 1.652 -1.939 5.639 1.00 1.00 C ATOM 1127 CD1 TYR A 72 0.640 -1.140 5.048 1.00 1.00 C ATOM 1128 CD2 TYR A 72 1.546 -2.307 6.998 1.00 1.00 C ATOM 1129 CE1 TYR A 72 -0.475 -0.730 5.811 1.00 1.00 C ATOM 1130 CE2 TYR A 72 0.456 -1.852 7.767 1.00 1.00 C ATOM 1131 CZ TYR A 72 -0.566 -1.082 7.175 1.00 1.00 C ATOM 1132 OH TYR A 72 -1.645 -0.725 7.916 1.00 1.00 O ATOM 0 H TYR A 72 4.775 -2.481 3.383 1.00 1.00 H new ATOM 0 HA TYR A 72 3.128 -4.372 4.361 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.709 -2.421 5.607 1.00 1.00 H new ATOM 0 HB3 TYR A 72 3.196 -1.339 4.328 1.00 1.00 H new ATOM 0 HD1 TYR A 72 0.722 -0.845 4.012 1.00 1.00 H new ATOM 0 HD2 TYR A 72 2.299 -2.937 7.448 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -1.259 -0.147 5.351 1.00 1.00 H new ATOM 0 HE2 TYR A 72 0.403 -2.095 8.818 1.00 1.00 H new ATOM 0 HH TYR A 72 -1.536 -1.054 8.833 1.00 1.00 H new ATOM 1142 N THR A 73 1.207 -2.892 2.153 1.00 1.00 N ATOM 1143 CA THR A 73 0.029 -3.097 1.257 1.00 1.00 C ATOM 1144 C THR A 73 0.102 -4.364 0.369 1.00 1.00 C ATOM 1145 O THR A 73 -0.647 -5.318 0.581 1.00 1.00 O ATOM 1146 CB THR A 73 -0.219 -1.821 0.403 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.017 -2.052 -0.733 1.00 1.00 O ATOM 1148 CG2 THR A 73 1.033 -1.079 -0.096 1.00 1.00 C ATOM 0 H THR A 73 1.717 -2.040 1.921 1.00 1.00 H new ATOM 0 HA THR A 73 -0.822 -3.273 1.915 1.00 1.00 H new ATOM 0 HB THR A 73 -0.728 -1.192 1.133 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.137 -1.213 -1.225 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.732 -0.208 -0.679 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.629 -0.756 0.758 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.626 -1.746 -0.721 1.00 1.00 H new ATOM 1156 N ASP A 74 1.099 -4.430 -0.519 1.00 1.00 N ATOM 1157 CA ASP A 74 1.504 -5.557 -1.383 1.00 1.00 C ATOM 1158 C ASP A 74 1.801 -6.857 -0.580 1.00 1.00 C ATOM 1159 O ASP A 74 1.243 -7.921 -0.849 1.00 1.00 O ATOM 1160 CB ASP A 74 2.770 -5.108 -2.159 1.00 1.00 C ATOM 1161 CG ASP A 74 2.565 -4.597 -3.593 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.789 -3.644 -3.821 1.00 1.00 O ATOM 1163 OD2 ASP A 74 3.307 -5.041 -4.498 1.00 1.00 O ATOM 0 H ASP A 74 1.703 -3.622 -0.670 1.00 1.00 H new ATOM 0 HA ASP A 74 0.682 -5.801 -2.057 1.00 1.00 H new ATOM 0 HB2 ASP A 74 3.257 -4.320 -1.585 1.00 1.00 H new ATOM 0 HB3 ASP A 74 3.461 -5.950 -2.195 1.00 1.00 H new ATOM 1168 N PHE A 75 2.706 -6.768 0.403 1.00 1.00 N ATOM 1169 CA PHE A 75 3.062 -7.797 1.395 1.00 1.00 C ATOM 1170 C PHE A 75 1.872 -8.376 2.177 1.00 1.00 C ATOM 1171 O PHE A 75 1.790 -9.597 2.295 1.00 1.00 O ATOM 1172 CB PHE A 75 4.176 -7.320 2.369 1.00 1.00 C ATOM 1173 CG PHE A 75 5.577 -7.875 2.137 1.00 1.00 C ATOM 1174 CD1 PHE A 75 5.786 -9.177 1.612 1.00 1.00 C ATOM 1175 CD2 PHE A 75 6.699 -7.078 2.470 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.089 -9.646 1.364 1.00 1.00 C ATOM 1177 CE2 PHE A 75 8.005 -7.561 2.251 1.00 1.00 C ATOM 1178 CZ PHE A 75 8.196 -8.839 1.688 1.00 1.00 C ATOM 0 H PHE A 75 3.249 -5.915 0.538 1.00 1.00 H new ATOM 0 HA PHE A 75 3.452 -8.617 0.793 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.229 -6.232 2.318 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.873 -7.577 3.384 1.00 1.00 H new ATOM 0 HD1 PHE A 75 4.938 -9.812 1.401 1.00 1.00 H new ATOM 0 HD2 PHE A 75 6.553 -6.095 2.894 1.00 1.00 H new ATOM 0 HE1 PHE A 75 7.239 -10.622 0.927 1.00 1.00 H new ATOM 0 HE2 PHE A 75 8.858 -6.953 2.514 1.00 1.00 H new ATOM 0 HZ PHE A 75 9.197 -9.201 1.504 1.00 1.00 H new ATOM 1188 N ALA A 76 0.958 -7.553 2.713 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.290 -8.039 3.324 1.00 1.00 C ATOM 1190 C ALA A 76 -1.128 -8.870 2.325 1.00 1.00 C ATOM 1191 O ALA A 76 -1.499 -9.995 2.657 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.085 -6.874 3.924 1.00 1.00 C ATOM 0 H ALA A 76 1.061 -6.538 2.736 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.030 -8.713 4.140 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -2.004 -7.253 4.371 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.486 -6.381 4.689 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.331 -6.159 3.139 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.361 -8.371 1.100 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.008 -9.116 0.007 1.00 1.00 C ATOM 1200 C ALA A 77 -1.300 -10.459 -0.351 1.00 1.00 C ATOM 1201 O ALA A 77 -1.963 -11.489 -0.467 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.135 -8.159 -1.187 1.00 1.00 C ATOM 0 H ALA A 77 -1.100 -7.421 0.837 1.00 1.00 H new ATOM 0 HA ALA A 77 -2.996 -9.443 0.330 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.612 -8.677 -2.019 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -2.740 -7.299 -0.901 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.144 -7.821 -1.490 1.00 1.00 H new ATOM 1208 N TRP A 78 0.043 -10.489 -0.395 1.00 1.00 N ATOM 1209 CA TRP A 78 0.898 -11.691 -0.548 1.00 1.00 C ATOM 1210 C TRP A 78 0.695 -12.697 0.608 1.00 1.00 C ATOM 1211 O TRP A 78 0.387 -13.866 0.377 1.00 1.00 O ATOM 1212 CB TRP A 78 2.376 -11.278 -0.695 1.00 1.00 C ATOM 1213 CG TRP A 78 3.351 -12.386 -0.985 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.479 -13.012 -2.177 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.356 -12.994 -0.109 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.509 -13.929 -2.117 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.089 -13.961 -0.873 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.738 -12.826 1.246 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.154 -14.707 -0.338 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.812 -13.566 1.791 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.523 -14.498 1.006 1.00 1.00 C ATOM 0 H TRP A 78 0.595 -9.635 -0.321 1.00 1.00 H new ATOM 0 HA TRP A 78 0.595 -12.207 -1.459 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.448 -10.541 -1.495 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.686 -10.781 0.225 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.867 -12.823 -3.046 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.803 -14.512 -2.901 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.202 -12.125 1.869 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.680 -15.428 -0.946 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 6.092 -13.416 2.823 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.347 -15.049 1.434 1.00 1.00 H new ATOM 1232 N VAL A 79 0.833 -12.240 1.865 1.00 1.00 N ATOM 1233 CA VAL A 79 0.521 -12.987 3.110 1.00 1.00 C ATOM 1234 C VAL A 79 -0.906 -13.559 3.095 1.00 1.00 C ATOM 1235 O VAL A 79 -1.069 -14.727 3.441 1.00 1.00 O ATOM 1236 CB VAL A 79 0.771 -12.132 4.381 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.161 -12.730 5.665 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.284 -11.960 4.610 1.00 1.00 C ATOM 0 H VAL A 79 1.180 -11.300 2.056 1.00 1.00 H new ATOM 0 HA VAL A 79 1.210 -13.831 3.146 1.00 1.00 H new ATOM 0 HB VAL A 79 0.279 -11.177 4.194 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.378 -12.076 6.510 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.918 -12.823 5.546 1.00 1.00 H new ATOM 0 HG13 VAL A 79 0.592 -13.714 5.848 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.451 -11.359 5.504 1.00 1.00 H new ATOM 0 HG22 VAL A 79 2.746 -12.939 4.740 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.728 -11.461 3.749 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.922 -12.786 2.670 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.312 -13.249 2.452 1.00 1.00 C ATOM 1250 C LYS A 80 -3.352 -14.405 1.434 1.00 1.00 C ATOM 1251 O LYS A 80 -3.785 -15.496 1.790 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.267 -12.097 2.043 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.076 -11.420 3.169 1.00 1.00 C ATOM 1254 CD LYS A 80 -4.356 -10.330 3.981 1.00 1.00 C ATOM 1255 CE LYS A 80 -3.260 -10.819 4.940 1.00 1.00 C ATOM 1256 NZ LYS A 80 -3.826 -11.595 6.064 1.00 1.00 N ATOM 0 H LYS A 80 -1.799 -11.795 2.462 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.677 -13.624 3.408 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.676 -11.330 1.543 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -4.971 -12.487 1.308 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -5.970 -10.980 2.728 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.410 -12.194 3.860 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -3.911 -9.620 3.284 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -5.101 -9.784 4.560 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -2.547 -11.436 4.394 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -2.708 -9.963 5.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -3.243 -11.452 6.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -4.797 -11.274 6.253 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -3.837 -12.605 5.818 1.00 1.00 H new ATOM 1270 N GLU A 81 -2.806 -14.211 0.233 1.00 1.00 N ATOM 1271 CA GLU A 81 -2.593 -15.241 -0.815 1.00 1.00 C ATOM 1272 C GLU A 81 -1.827 -16.515 -0.361 1.00 1.00 C ATOM 1273 O GLU A 81 -1.766 -17.484 -1.125 1.00 1.00 O ATOM 1274 CB GLU A 81 -1.953 -14.620 -2.072 1.00 1.00 C ATOM 1275 CG GLU A 81 -2.937 -13.766 -2.891 1.00 1.00 C ATOM 1276 CD GLU A 81 -2.306 -13.191 -4.171 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -1.091 -12.871 -4.192 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -3.020 -13.012 -5.186 1.00 1.00 O ATOM 0 H GLU A 81 -2.480 -13.290 -0.061 1.00 1.00 H new ATOM 0 HA GLU A 81 -3.593 -15.603 -1.053 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -1.106 -14.002 -1.774 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -1.560 -15.417 -2.704 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.802 -14.373 -3.159 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -3.302 -12.947 -2.272 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.174 -16.513 0.813 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.558 -17.678 1.471 1.00 1.00 C ATOM 1287 C ASN A 82 -1.453 -18.270 2.605 1.00 1.00 C ATOM 1288 O ASN A 82 -1.853 -19.437 2.535 1.00 1.00 O ATOM 1289 CB ASN A 82 0.839 -17.260 2.006 1.00 1.00 C ATOM 1290 CG ASN A 82 1.947 -17.119 0.972 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.975 -17.774 1.059 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.888 -16.190 0.060 1.00 1.00 N ATOM 0 H ASN A 82 -1.055 -15.657 1.356 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.450 -18.478 0.738 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.734 -16.308 2.526 1.00 1.00 H new ATOM 0 HB3 ASN A 82 1.155 -17.995 2.747 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.685 -16.028 -0.555 1.00 1.00 H new ATOM 0 HD22 ASN A 82 1.044 -15.625 -0.039 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.770 -17.463 3.630 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.457 -17.815 4.890 1.00 1.00 C ATOM 1301 C LEU A 83 -4.000 -17.783 4.855 1.00 1.00 C ATOM 1302 O LEU A 83 -4.643 -18.654 5.435 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.956 -16.871 6.017 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.425 -16.767 6.228 1.00 1.00 C ATOM 1305 CD1 LEU A 83 -0.113 -16.083 7.565 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.278 -18.124 6.194 1.00 1.00 C ATOM 0 H LEU A 83 -1.536 -16.471 3.600 1.00 1.00 H new ATOM 0 HA LEU A 83 -2.202 -18.859 5.070 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.337 -15.870 5.813 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -2.404 -17.198 6.955 1.00 1.00 H new ATOM 0 HG LEU A 83 -0.046 -16.173 5.396 1.00 1.00 H new ATOM 0 HD11 LEU A 83 0.967 -16.018 7.697 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -0.540 -15.080 7.569 1.00 1.00 H new ATOM 0 HD13 LEU A 83 -0.544 -16.664 8.380 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.348 -17.983 6.348 1.00 1.00 H new ATOM 0 HD22 LEU A 83 -0.122 -18.761 6.983 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.110 -18.597 5.226 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.590 -16.774 4.215 1.00 1.00 N ATOM 1319 CA ASP A 84 -6.032 -16.533 3.988 1.00 1.00 C ATOM 1320 C ASP A 84 -6.565 -17.096 2.629 1.00 1.00 C ATOM 1321 O ASP A 84 -7.729 -16.891 2.261 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.256 -15.011 4.084 1.00 1.00 C ATOM 1323 CG ASP A 84 -5.800 -14.370 5.404 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -4.581 -14.159 5.602 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -6.666 -13.968 6.217 1.00 1.00 O ATOM 0 H ASP A 84 -4.027 -16.031 3.801 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.599 -17.073 4.746 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.728 -14.529 3.262 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.317 -14.806 3.945 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.685 -17.778 1.884 1.00 1.00 N ATOM 1331 CA ALA A 85 -5.761 -18.354 0.535 1.00 1.00 C ATOM 1332 C ALA A 85 -6.898 -19.374 0.313 1.00 1.00 C ATOM 1333 O ALA A 85 -7.041 -20.329 1.109 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.366 -18.944 0.260 1.00 1.00 C ATOM 1335 OXT ALA A 85 -7.600 -19.250 -0.714 1.00 1.00 O ATOM 0 H ALA A 85 -4.763 -17.966 2.277 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.026 -17.574 -0.178 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.350 -19.392 -0.733 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -3.619 -18.152 0.313 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.140 -19.706 1.006 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.370 2.249 0.675 1.00 1.00 N ATOM 1578 CA GLU B 144 -0.164 2.997 0.244 1.00 1.00 C ATOM 1579 C GLU B 144 -0.348 4.498 0.573 1.00 1.00 C ATOM 1580 O GLU B 144 -1.166 5.193 -0.048 1.00 1.00 O ATOM 1581 CB GLU B 144 0.174 2.784 -1.254 1.00 1.00 C ATOM 1582 CG GLU B 144 1.556 3.371 -1.616 1.00 1.00 C ATOM 1583 CD GLU B 144 1.956 3.135 -3.082 1.00 1.00 C ATOM 1584 OE1 GLU B 144 2.302 1.979 -3.422 1.00 1.00 O ATOM 1585 OE2 GLU B 144 1.918 4.083 -3.906 1.00 1.00 O ATOM 0 HA GLU B 144 0.689 2.605 0.797 1.00 1.00 H new ATOM 0 HB2 GLU B 144 0.160 1.718 -1.482 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -0.593 3.252 -1.871 1.00 1.00 H new ATOM 0 HG2 GLU B 144 1.551 4.443 -1.417 1.00 1.00 H new ATOM 0 HG3 GLU B 144 2.311 2.930 -0.966 1.00 1.00 H new ATOM 1592 N SER B 145 0.358 5.000 1.592 1.00 1.00 N ATOM 1593 CA SER B 145 0.410 6.418 1.987 1.00 1.00 C ATOM 1594 C SER B 145 1.588 6.777 2.910 1.00 1.00 C ATOM 1595 O SER B 145 2.076 5.963 3.691 1.00 1.00 O ATOM 1596 CB SER B 145 -0.909 6.840 2.666 1.00 1.00 C ATOM 1597 OG SER B 145 -1.224 8.163 2.272 1.00 1.00 O ATOM 0 H SER B 145 0.934 4.408 2.191 1.00 1.00 H new ATOM 0 HA SER B 145 0.561 6.967 1.057 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.713 6.161 2.383 1.00 1.00 H new ATOM 0 HB3 SER B 145 -0.810 6.783 3.750 1.00 1.00 H new ATOM 0 HG SER B 145 -2.062 8.440 2.697 1.00 1.00 H new ATOM 1603 N GLY B 146 2.062 8.022 2.803 1.00 1.00 N ATOM 1604 CA GLY B 146 3.055 8.658 3.688 1.00 1.00 C ATOM 1605 C GLY B 146 3.966 9.736 3.087 1.00 1.00 C ATOM 1606 O GLY B 146 4.598 10.464 3.854 1.00 1.00 O ATOM 0 H GLY B 146 1.751 8.649 2.061 1.00 1.00 H new ATOM 0 HA2 GLY B 146 2.519 9.103 4.527 1.00 1.00 H new ATOM 0 HA3 GLY B 146 3.691 7.872 4.096 1.00 1.00 H new ATOM 1610 N ALA B 147 4.083 9.858 1.751 1.00 1.00 N ATOM 1611 CA ALA B 147 4.824 10.942 1.047 1.00 1.00 C ATOM 1612 C ALA B 147 6.293 11.118 1.524 1.00 1.00 C ATOM 1613 O ALA B 147 6.882 12.194 1.445 1.00 1.00 O ATOM 1614 CB ALA B 147 3.980 12.225 1.097 1.00 1.00 C ATOM 0 H ALA B 147 3.656 9.192 1.107 1.00 1.00 H new ATOM 0 HA ALA B 147 4.955 10.658 0.003 1.00 1.00 H new ATOM 0 HB1 ALA B 147 4.509 13.029 0.585 1.00 1.00 H new ATOM 0 HB2 ALA B 147 3.023 12.050 0.606 1.00 1.00 H new ATOM 0 HB3 ALA B 147 3.808 12.507 2.136 1.00 1.00 H new ATOM 1620 N CYS B 148 6.885 10.025 2.007 1.00 1.00 N ATOM 1621 CA CYS B 148 8.176 9.896 2.690 1.00 1.00 C ATOM 1622 C CYS B 148 9.347 10.068 1.692 1.00 1.00 C ATOM 1623 O CYS B 148 9.379 9.410 0.645 1.00 1.00 O ATOM 1624 CB CYS B 148 8.106 8.520 3.378 1.00 1.00 C ATOM 1625 SG CYS B 148 8.970 8.219 4.933 1.00 1.00 S ATOM 0 H CYS B 148 6.428 9.117 1.922 1.00 1.00 H new ATOM 0 HA CYS B 148 8.365 10.672 3.432 1.00 1.00 H new ATOM 0 HB2 CYS B 148 7.052 8.301 3.550 1.00 1.00 H new ATOM 0 HB3 CYS B 148 8.471 7.785 2.661 1.00 1.00 H new ATOM 1630 N LYS B 149 10.323 10.929 2.048 1.00 1.00 N ATOM 1631 CA LYS B 149 11.443 11.408 1.192 1.00 1.00 C ATOM 1632 C LYS B 149 12.382 12.435 1.847 1.00 1.00 C ATOM 1633 O LYS B 149 11.913 13.431 2.398 1.00 1.00 O ATOM 1634 CB LYS B 149 10.863 12.077 -0.086 1.00 1.00 C ATOM 1635 CG LYS B 149 9.888 13.263 0.117 1.00 1.00 C ATOM 1636 CD LYS B 149 9.120 13.679 -1.150 1.00 1.00 C ATOM 1637 CE LYS B 149 10.013 14.467 -2.115 1.00 1.00 C ATOM 1638 NZ LYS B 149 9.320 14.762 -3.390 1.00 1.00 N ATOM 0 H LYS B 149 10.359 11.332 2.984 1.00 1.00 H new ATOM 0 HA LYS B 149 12.035 10.516 0.986 1.00 1.00 H new ATOM 0 HB2 LYS B 149 11.698 12.426 -0.693 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.347 11.310 -0.664 1.00 1.00 H new ATOM 0 HG2 LYS B 149 9.169 12.998 0.892 1.00 1.00 H new ATOM 0 HG3 LYS B 149 10.451 14.121 0.484 1.00 1.00 H new ATOM 0 HD2 LYS B 149 8.735 12.791 -1.652 1.00 1.00 H new ATOM 0 HD3 LYS B 149 8.259 14.286 -0.872 1.00 1.00 H new ATOM 0 HE2 LYS B 149 10.321 15.401 -1.645 1.00 1.00 H new ATOM 0 HE3 LYS B 149 10.920 13.898 -2.318 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 9.965 14.581 -4.186 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 8.482 14.153 -3.479 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 9.026 15.759 -3.403 1.00 1.00 H new ATOM 1652 N ILE B 150 13.684 12.114 1.852 1.00 1.00 N ATOM 1653 CA ILE B 150 14.886 12.913 2.228 1.00 1.00 C ATOM 1654 C ILE B 150 14.716 13.950 3.356 1.00 1.00 C ATOM 1655 O ILE B 150 14.927 13.566 4.521 1.00 1.00 O ATOM 1656 CB ILE B 150 15.691 13.334 0.969 1.00 1.00 C ATOM 1657 CG1 ILE B 150 17.083 13.934 1.291 1.00 1.00 C ATOM 1658 CG2 ILE B 150 14.903 14.283 0.051 1.00 1.00 C ATOM 1659 CD1 ILE B 150 18.024 12.966 2.029 1.00 1.00 C ATOM 1660 OXT ILE B 150 14.297 15.101 3.105 1.00 1.00 O ATOM 0 H ILE B 150 13.966 11.178 1.559 1.00 1.00 H new ATOM 0 HA ILE B 150 15.544 12.238 2.776 1.00 1.00 H new ATOM 0 HB ILE B 150 15.860 12.401 0.432 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.557 14.247 0.361 1.00 1.00 H new ATOM 0 HG13 ILE B 150 16.950 14.829 1.898 1.00 1.00 H new ATOM 0 HG21 ILE B 150 15.514 14.544 -0.813 1.00 1.00 H new ATOM 0 HG22 ILE B 150 13.991 13.790 -0.286 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.644 15.189 0.600 1.00 1.00 H new ATOM 0 HD11 ILE B 150 18.977 13.459 2.218 1.00 1.00 H new ATOM 0 HD12 ILE B 150 17.573 12.672 2.977 1.00 1.00 H new ATOM 0 HD13 ILE B 150 18.189 12.080 1.415 1.00 1.00 H new