USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot -111:sc= 0.216 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc=-0.00744 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.5! C(o=-11!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-7.8!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.55) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -15.444 14.197 -4.485 1.00 9.58 N ATOM 2 CA GLU A 4 -14.780 12.937 -4.036 1.00 9.09 C ATOM 3 C GLU A 4 -13.265 13.157 -3.939 1.00 8.06 C ATOM 4 O GLU A 4 -12.685 13.894 -4.716 1.00 8.10 O ATOM 5 CB GLU A 4 -15.073 11.817 -5.043 1.00 9.77 C ATOM 6 CG GLU A 4 -14.746 10.456 -4.419 1.00 10.24 C ATOM 7 CD GLU A 4 -15.867 10.043 -3.460 1.00 11.04 C ATOM 8 OE1 GLU A 4 -16.871 9.538 -3.936 1.00 11.36 O ATOM 9 OE2 GLU A 4 -15.699 10.240 -2.266 1.00 11.49 O ATOM 0 HA GLU A 4 -15.166 12.655 -3.056 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -16.121 11.848 -5.340 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -14.481 11.964 -5.946 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -14.629 9.706 -5.201 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -13.798 10.509 -3.884 1.00 10.24 H new ATOM 16 N LEU A 5 -12.620 12.517 -2.992 1.00 7.36 N ATOM 17 CA LEU A 5 -11.142 12.678 -2.837 1.00 6.53 C ATOM 18 C LEU A 5 -10.416 11.664 -3.730 1.00 6.17 C ATOM 19 O LEU A 5 -11.026 10.785 -4.313 1.00 6.61 O ATOM 20 CB LEU A 5 -10.746 12.439 -1.375 1.00 6.34 C ATOM 21 CG LEU A 5 -11.437 13.471 -0.476 1.00 7.26 C ATOM 22 CD1 LEU A 5 -12.485 12.771 0.395 1.00 7.60 C ATOM 23 CD2 LEU A 5 -10.396 14.145 0.422 1.00 7.86 C ATOM 0 H LEU A 5 -13.057 11.888 -2.318 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.861 13.690 -3.130 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -11.029 11.431 -1.072 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -9.664 12.513 -1.265 1.00 6.34 H new ATOM 0 HG LEU A 5 -11.924 14.223 -1.096 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -12.976 13.505 1.034 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -13.227 12.291 -0.243 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -11.999 12.018 1.015 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -10.887 14.879 1.061 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -9.908 13.393 1.042 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -9.650 14.644 -0.197 1.00 7.86 H new ATOM 35 N ARG A 6 -9.113 11.778 -3.836 1.00 5.61 N ATOM 36 CA ARG A 6 -8.340 10.820 -4.687 1.00 5.48 C ATOM 37 C ARG A 6 -7.815 9.656 -3.842 1.00 4.69 C ATOM 38 O ARG A 6 -7.449 8.621 -4.369 1.00 4.64 O ATOM 39 CB ARG A 6 -7.158 11.531 -5.338 1.00 6.06 C ATOM 40 CG ARG A 6 -7.432 11.731 -6.832 1.00 6.84 C ATOM 41 CD ARG A 6 -8.324 12.959 -7.034 1.00 7.76 C ATOM 42 NE ARG A 6 -9.189 12.758 -8.232 1.00 8.57 N ATOM 43 CZ ARG A 6 -10.430 12.367 -8.087 1.00 9.27 C ATOM 44 NH1 ARG A 6 -11.322 13.190 -7.600 1.00 9.70 N ATOM 45 NH2 ARG A 6 -10.774 11.152 -8.432 1.00 9.77 N ATOM 0 H ARG A 6 -8.553 12.492 -3.370 1.00 5.61 H new ATOM 0 HA ARG A 6 -9.008 10.435 -5.458 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -6.992 12.495 -4.857 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -6.249 10.945 -5.201 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -6.493 11.860 -7.370 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -7.917 10.846 -7.244 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -8.941 13.122 -6.151 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -7.710 13.850 -7.162 1.00 7.76 H new ATOM 0 HE ARG A 6 -8.813 12.925 -9.165 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -11.051 14.136 -7.333 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -12.289 12.886 -7.487 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -10.076 10.513 -8.813 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -11.740 10.844 -8.320 1.00 9.77 H new ATOM 59 N CYS A 7 -7.774 9.818 -2.543 1.00 4.47 N ATOM 60 CA CYS A 7 -7.274 8.729 -1.652 1.00 4.05 C ATOM 61 C CYS A 7 -7.998 7.421 -1.952 1.00 4.38 C ATOM 62 O CYS A 7 -7.372 6.419 -2.244 1.00 4.93 O ATOM 63 CB CYS A 7 -7.502 9.096 -0.183 1.00 4.32 C ATOM 64 SG CYS A 7 -6.023 9.898 0.478 1.00 4.79 S ATOM 0 H CYS A 7 -8.068 10.666 -2.059 1.00 4.47 H new ATOM 0 HA CYS A 7 -6.207 8.605 -1.837 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -8.360 9.762 -0.093 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.731 8.201 0.395 1.00 4.32 H new ATOM 69 N GLN A 8 -9.310 7.427 -1.857 1.00 4.51 N ATOM 70 CA GLN A 8 -10.128 6.199 -2.105 1.00 5.30 C ATOM 71 C GLN A 8 -10.034 5.246 -0.894 1.00 5.47 C ATOM 72 O GLN A 8 -10.977 4.542 -0.589 1.00 6.21 O ATOM 73 CB GLN A 8 -9.642 5.499 -3.375 1.00 5.63 C ATOM 74 CG GLN A 8 -10.631 4.402 -3.783 1.00 6.22 C ATOM 75 CD GLN A 8 -11.683 4.987 -4.729 1.00 7.21 C ATOM 76 OE1 GLN A 8 -11.461 5.078 -5.920 1.00 7.78 O ATOM 77 NE2 GLN A 8 -12.828 5.391 -4.247 1.00 7.68 N ATOM 0 H GLN A 8 -9.857 8.252 -1.612 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.171 6.486 -2.240 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -9.538 6.224 -4.182 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -8.656 5.066 -3.206 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -10.102 3.584 -4.272 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -11.113 3.986 -2.899 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -13.016 5.315 -3.247 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -13.534 5.782 -4.870 1.00 7.68 H new ATOM 86 N CYS A 9 -8.914 5.226 -0.200 1.00 5.04 N ATOM 87 CA CYS A 9 -8.772 4.332 0.987 1.00 5.45 C ATOM 88 C CYS A 9 -8.503 5.171 2.239 1.00 5.99 C ATOM 89 O CYS A 9 -7.400 5.644 2.454 1.00 6.13 O ATOM 90 CB CYS A 9 -7.604 3.362 0.768 1.00 5.08 C ATOM 91 SG CYS A 9 -8.242 1.739 0.284 1.00 5.12 S ATOM 0 H CYS A 9 -8.094 5.794 -0.411 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.695 3.768 1.119 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.939 3.747 -0.005 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.015 3.275 1.681 1.00 5.08 H new ATOM 96 N ILE A 10 -9.498 5.337 3.078 1.00 6.61 N ATOM 97 CA ILE A 10 -9.299 6.121 4.340 1.00 7.44 C ATOM 98 C ILE A 10 -8.295 5.364 5.220 1.00 7.48 C ATOM 99 O ILE A 10 -7.481 5.955 5.904 1.00 8.16 O ATOM 100 CB ILE A 10 -10.637 6.269 5.080 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.644 7.001 4.182 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.430 7.075 6.366 1.00 9.31 C ATOM 103 CD1 ILE A 10 -12.781 6.049 3.801 1.00 9.47 C ATOM 0 H ILE A 10 -10.438 4.964 2.944 1.00 6.61 H new ATOM 0 HA ILE A 10 -8.921 7.117 4.109 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.019 5.279 5.328 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.044 7.871 4.702 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.146 7.367 3.284 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.381 7.178 6.888 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -9.717 6.558 7.009 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.044 8.064 6.118 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.495 6.571 3.164 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.374 5.192 3.264 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.285 5.705 4.704 1.00 9.47 H new ATOM 115 N LYS A 11 -8.339 4.053 5.172 1.00 6.93 N ATOM 116 CA LYS A 11 -7.385 3.220 5.962 1.00 7.15 C ATOM 117 C LYS A 11 -6.422 2.541 4.980 1.00 6.42 C ATOM 118 O LYS A 11 -6.479 2.786 3.788 1.00 6.35 O ATOM 119 CB LYS A 11 -8.161 2.157 6.750 1.00 8.05 C ATOM 120 CG LYS A 11 -9.099 2.841 7.750 1.00 8.65 C ATOM 121 CD LYS A 11 -9.773 1.784 8.630 1.00 9.04 C ATOM 122 CE LYS A 11 -11.109 2.323 9.147 1.00 9.50 C ATOM 123 NZ LYS A 11 -11.332 1.856 10.546 1.00 9.69 N ATOM 0 H LYS A 11 -9.005 3.521 4.611 1.00 6.93 H new ATOM 0 HA LYS A 11 -6.830 3.840 6.666 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -8.735 1.531 6.067 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -7.467 1.502 7.276 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -8.538 3.541 8.370 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.854 3.421 7.218 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -9.935 0.870 8.059 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -9.125 1.526 9.467 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -11.110 3.412 9.112 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -11.922 1.983 8.506 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -12.240 2.224 10.894 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -11.349 0.816 10.566 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -10.563 2.202 11.154 1.00 9.69 H new ATOM 137 N THR A 12 -5.537 1.696 5.450 1.00 6.02 N ATOM 138 CA THR A 12 -4.589 1.025 4.507 1.00 5.35 C ATOM 139 C THR A 12 -4.223 -0.377 4.984 1.00 5.31 C ATOM 140 O THR A 12 -4.717 -0.865 5.985 1.00 5.80 O ATOM 141 CB THR A 12 -3.307 1.850 4.349 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.175 2.776 5.424 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.345 2.586 3.012 1.00 5.32 C ATOM 0 H THR A 12 -5.430 1.444 6.433 1.00 6.02 H new ATOM 0 HA THR A 12 -5.096 0.947 3.545 1.00 5.35 H new ATOM 0 HB THR A 12 -2.444 1.184 4.370 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.558 3.492 5.165 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.435 3.175 2.895 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.416 1.862 2.200 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.211 3.248 2.985 1.00 5.32 H new ATOM 151 N TYR A 13 -3.362 -1.027 4.244 1.00 4.96 N ATOM 152 CA TYR A 13 -2.937 -2.405 4.592 1.00 5.03 C ATOM 153 C TYR A 13 -1.628 -2.360 5.384 1.00 5.08 C ATOM 154 O TYR A 13 -0.565 -2.127 4.836 1.00 4.67 O ATOM 155 CB TYR A 13 -2.730 -3.193 3.292 1.00 4.85 C ATOM 156 CG TYR A 13 -2.796 -4.670 3.559 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.672 -5.174 4.522 1.00 5.34 C ATOM 158 CD2 TYR A 13 -1.969 -5.529 2.836 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.719 -6.550 4.770 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.015 -6.908 3.078 1.00 6.30 C ATOM 161 CZ TYR A 13 -2.889 -7.418 4.047 1.00 6.23 C ATOM 162 OH TYR A 13 -2.930 -8.777 4.291 1.00 6.84 O ATOM 0 H TYR A 13 -2.931 -0.650 3.400 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.700 -2.887 5.204 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.492 -2.914 2.565 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.764 -2.939 2.855 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.312 -4.503 5.075 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.295 -5.132 2.091 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.393 -6.943 5.517 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.378 -7.577 2.519 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.293 -9.234 3.703 1.00 6.84 H new ATOM 172 N SER A 14 -1.700 -2.596 6.670 1.00 5.82 N ATOM 173 CA SER A 14 -0.466 -2.587 7.508 1.00 6.06 C ATOM 174 C SER A 14 0.210 -3.958 7.428 1.00 6.51 C ATOM 175 O SER A 14 1.419 -4.064 7.530 1.00 6.88 O ATOM 176 CB SER A 14 -0.827 -2.277 8.963 1.00 6.42 C ATOM 177 OG SER A 14 -1.069 -0.883 9.102 1.00 6.80 O ATOM 0 H SER A 14 -2.563 -2.795 7.175 1.00 5.82 H new ATOM 0 HA SER A 14 0.215 -1.820 7.139 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.711 -2.842 9.258 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.017 -2.584 9.624 1.00 6.42 H new ATOM 0 HG SER A 14 -1.302 -0.683 10.033 1.00 6.80 H new ATOM 183 N LYS A 15 -0.555 -5.009 7.230 1.00 6.59 N ATOM 184 CA LYS A 15 0.053 -6.367 7.127 1.00 7.06 C ATOM 185 C LYS A 15 0.724 -6.495 5.755 1.00 6.32 C ATOM 186 O LYS A 15 0.181 -6.055 4.762 1.00 6.13 O ATOM 187 CB LYS A 15 -1.004 -7.470 7.266 1.00 7.75 C ATOM 188 CG LYS A 15 -2.241 -6.964 8.021 1.00 8.64 C ATOM 189 CD LYS A 15 -2.911 -8.131 8.750 1.00 9.43 C ATOM 190 CE LYS A 15 -2.265 -8.317 10.125 1.00 10.20 C ATOM 191 NZ LYS A 15 -2.852 -9.511 10.797 1.00 10.59 N ATOM 0 H LYS A 15 -1.570 -4.980 7.136 1.00 6.59 H new ATOM 0 HA LYS A 15 0.776 -6.485 7.934 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.298 -7.822 6.277 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.576 -8.322 7.794 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -1.953 -6.193 8.736 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.943 -6.506 7.324 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -3.978 -7.939 8.861 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.811 -9.044 8.164 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -1.187 -8.441 10.018 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -2.424 -7.428 10.736 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -2.412 -9.635 11.731 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -3.877 -9.376 10.913 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -2.678 -10.356 10.217 1.00 10.59 H new ATOM 205 N PRO A 16 1.894 -7.080 5.747 1.00 6.02 N ATOM 206 CA PRO A 16 2.690 -7.266 4.521 1.00 5.35 C ATOM 207 C PRO A 16 2.229 -8.508 3.750 1.00 5.50 C ATOM 208 O PRO A 16 1.560 -9.373 4.286 1.00 6.37 O ATOM 209 CB PRO A 16 4.110 -7.443 5.057 1.00 5.39 C ATOM 210 CG PRO A 16 3.974 -7.926 6.524 1.00 6.26 C ATOM 211 CD PRO A 16 2.532 -7.611 6.962 1.00 6.51 C ATOM 0 HA PRO A 16 2.599 -6.438 3.818 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.662 -8.169 4.460 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.662 -6.505 5.008 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.177 -8.994 6.600 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.693 -7.418 7.167 1.00 6.26 H new ATOM 0 HD2 PRO A 16 2.021 -8.504 7.322 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.512 -6.883 7.773 1.00 6.51 H new ATOM 219 N PHE A 17 2.590 -8.599 2.492 1.00 4.76 N ATOM 220 CA PHE A 17 2.181 -9.783 1.670 1.00 4.96 C ATOM 221 C PHE A 17 3.032 -9.860 0.388 1.00 4.78 C ATOM 222 O PHE A 17 3.695 -8.910 0.010 1.00 4.77 O ATOM 223 CB PHE A 17 0.674 -9.697 1.341 1.00 4.69 C ATOM 224 CG PHE A 17 0.384 -8.722 0.210 1.00 3.72 C ATOM 225 CD1 PHE A 17 1.013 -7.468 0.159 1.00 3.74 C ATOM 226 CD2 PHE A 17 -0.537 -9.077 -0.784 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.721 -6.581 -0.884 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.826 -8.188 -1.823 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.197 -6.943 -1.875 1.00 2.38 C ATOM 0 H PHE A 17 3.151 -7.904 1.999 1.00 4.76 H new ATOM 0 HA PHE A 17 2.353 -10.696 2.240 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.307 -10.686 1.068 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.127 -9.389 2.232 1.00 4.69 H new ATOM 0 HD1 PHE A 17 1.722 -7.188 0.924 1.00 3.74 H new ATOM 0 HD2 PHE A 17 -1.025 -10.040 -0.747 1.00 3.29 H new ATOM 0 HE1 PHE A 17 1.205 -5.616 -0.923 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -1.537 -8.465 -2.587 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.419 -6.259 -2.681 1.00 2.38 H new ATOM 239 N HIS A 18 3.030 -11.000 -0.267 1.00 4.92 N ATOM 240 CA HIS A 18 3.844 -11.174 -1.510 1.00 5.06 C ATOM 241 C HIS A 18 3.208 -10.378 -2.682 1.00 4.32 C ATOM 242 O HIS A 18 1.999 -10.333 -2.814 1.00 4.10 O ATOM 243 CB HIS A 18 3.941 -12.674 -1.795 1.00 5.95 C ATOM 244 CG HIS A 18 4.481 -12.895 -3.160 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.833 -13.033 -3.432 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.847 -12.985 -4.346 1.00 6.72 C ATOM 247 CE1 HIS A 18 5.950 -13.195 -4.761 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.765 -13.181 -5.356 1.00 7.07 N ATOM 0 H HIS A 18 2.494 -11.822 0.011 1.00 4.92 H new ATOM 0 HA HIS A 18 4.851 -10.776 -1.385 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.586 -13.152 -1.058 1.00 5.95 H new ATOM 0 HB3 HIS A 18 2.957 -13.135 -1.705 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.594 -13.015 -2.753 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.778 -12.914 -4.485 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.890 -13.321 -5.279 1.00 6.81 H new ATOM 256 N PRO A 19 4.063 -9.720 -3.459 1.00 4.16 N ATOM 257 CA PRO A 19 3.646 -8.840 -4.589 1.00 3.77 C ATOM 258 C PRO A 19 3.222 -9.577 -5.871 1.00 4.27 C ATOM 259 O PRO A 19 2.263 -9.178 -6.502 1.00 4.32 O ATOM 260 CB PRO A 19 4.900 -8.013 -4.877 1.00 3.96 C ATOM 261 CG PRO A 19 6.096 -8.826 -4.334 1.00 4.62 C ATOM 262 CD PRO A 19 5.531 -9.791 -3.278 1.00 4.65 C ATOM 0 HA PRO A 19 2.760 -8.272 -4.305 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.008 -7.832 -5.946 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.842 -7.038 -4.393 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.587 -9.375 -5.137 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.845 -8.167 -3.895 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.901 -10.805 -3.429 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.822 -9.492 -2.271 1.00 4.65 H new ATOM 270 N LYS A 20 3.941 -10.591 -6.299 1.00 4.91 N ATOM 271 CA LYS A 20 3.572 -11.285 -7.588 1.00 5.52 C ATOM 272 C LYS A 20 2.075 -11.661 -7.618 1.00 5.00 C ATOM 273 O LYS A 20 1.491 -11.761 -8.681 1.00 5.39 O ATOM 274 CB LYS A 20 4.432 -12.524 -7.812 1.00 6.44 C ATOM 275 CG LYS A 20 4.598 -12.778 -9.314 1.00 7.16 C ATOM 276 CD LYS A 20 5.498 -14.001 -9.530 1.00 7.91 C ATOM 277 CE LYS A 20 6.308 -13.826 -10.819 1.00 8.41 C ATOM 278 NZ LYS A 20 5.459 -14.166 -11.998 1.00 8.95 N ATOM 0 H LYS A 20 4.759 -10.968 -5.821 1.00 4.91 H new ATOM 0 HA LYS A 20 3.762 -10.582 -8.399 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.408 -12.389 -7.347 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.970 -13.389 -7.337 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.624 -12.944 -9.775 1.00 7.16 H new ATOM 0 HG3 LYS A 20 5.034 -11.903 -9.796 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.170 -14.124 -8.681 1.00 7.91 H new ATOM 0 HD3 LYS A 20 4.891 -14.905 -9.590 1.00 7.91 H new ATOM 0 HE2 LYS A 20 6.664 -12.799 -10.899 1.00 8.41 H new ATOM 0 HE3 LYS A 20 7.189 -14.468 -10.796 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 6.012 -14.046 -12.870 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 5.140 -15.153 -11.923 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 4.632 -13.536 -12.023 1.00 8.95 H new ATOM 292 N PHE A 21 1.436 -11.832 -6.474 1.00 4.37 N ATOM 293 CA PHE A 21 -0.026 -12.153 -6.469 1.00 4.15 C ATOM 294 C PHE A 21 -0.781 -10.984 -7.115 1.00 3.56 C ATOM 295 O PHE A 21 -1.714 -11.170 -7.871 1.00 3.88 O ATOM 296 CB PHE A 21 -0.534 -12.309 -5.040 1.00 4.02 C ATOM 297 CG PHE A 21 0.243 -13.354 -4.264 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.849 -14.438 -4.917 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.341 -13.235 -2.872 1.00 5.11 C ATOM 300 CE1 PHE A 21 1.552 -15.395 -4.173 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.043 -14.190 -2.132 1.00 5.85 C ATOM 302 CZ PHE A 21 1.650 -15.270 -2.783 1.00 6.13 C ATOM 0 H PHE A 21 1.867 -11.762 -5.552 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.187 -13.083 -7.015 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.464 -11.351 -4.525 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.589 -12.584 -5.060 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.774 -14.535 -5.990 1.00 5.12 H new ATOM 0 HD2 PHE A 21 -0.128 -12.402 -2.369 1.00 5.11 H new ATOM 0 HE1 PHE A 21 2.019 -16.230 -4.673 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.117 -14.095 -1.059 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.194 -16.007 -2.212 1.00 6.13 H new ATOM 312 N ILE A 22 -0.363 -9.779 -6.801 1.00 2.94 N ATOM 313 CA ILE A 22 -1.011 -8.554 -7.358 1.00 2.62 C ATOM 314 C ILE A 22 -0.913 -8.551 -8.885 1.00 3.41 C ATOM 315 O ILE A 22 0.165 -8.576 -9.450 1.00 4.13 O ATOM 316 CB ILE A 22 -0.292 -7.315 -6.794 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.522 -7.220 -5.278 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.816 -6.047 -7.471 1.00 2.53 C ATOM 319 CD1 ILE A 22 -2.020 -7.316 -4.963 1.00 2.47 C ATOM 0 H ILE A 22 0.416 -9.593 -6.169 1.00 2.94 H new ATOM 0 HA ILE A 22 -2.064 -8.539 -7.076 1.00 2.62 H new ATOM 0 HB ILE A 22 0.776 -7.411 -6.992 1.00 2.18 H new ATOM 0 HG12 ILE A 22 0.016 -8.021 -4.770 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.123 -6.278 -4.900 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.300 -5.177 -7.064 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.635 -6.106 -8.544 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.886 -5.952 -7.288 1.00 2.53 H new ATOM 0 HD11 ILE A 22 -2.170 -7.247 -3.886 1.00 2.47 H new ATOM 0 HD12 ILE A 22 -2.548 -6.500 -5.456 1.00 2.47 H new ATOM 0 HD13 ILE A 22 -2.407 -8.269 -5.323 1.00 2.47 H new ATOM 331 N LYS A 23 -2.038 -8.500 -9.550 1.00 3.62 N ATOM 332 CA LYS A 23 -2.036 -8.469 -11.040 1.00 4.61 C ATOM 333 C LYS A 23 -1.921 -7.011 -11.513 1.00 5.00 C ATOM 334 O LYS A 23 -1.461 -6.746 -12.607 1.00 5.88 O ATOM 335 CB LYS A 23 -3.337 -9.081 -11.571 1.00 5.10 C ATOM 336 CG LYS A 23 -3.047 -10.460 -12.172 1.00 5.85 C ATOM 337 CD LYS A 23 -3.998 -10.721 -13.343 1.00 6.35 C ATOM 338 CE LYS A 23 -3.419 -11.820 -14.239 1.00 6.93 C ATOM 339 NZ LYS A 23 -2.587 -11.205 -15.314 1.00 7.72 N ATOM 0 H LYS A 23 -2.963 -8.478 -9.121 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.191 -9.045 -11.417 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -4.065 -9.170 -10.764 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -3.776 -8.429 -12.326 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.013 -10.509 -12.513 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -3.169 -11.232 -11.412 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.977 -11.020 -12.970 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -4.142 -9.807 -13.919 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -2.815 -12.506 -13.645 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -4.226 -12.406 -14.680 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -2.195 -11.953 -15.921 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -3.176 -10.568 -15.887 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -1.809 -10.665 -14.885 1.00 7.72 H new ATOM 353 N GLU A 24 -2.331 -6.065 -10.691 1.00 4.51 N ATOM 354 CA GLU A 24 -2.245 -4.625 -11.086 1.00 5.13 C ATOM 355 C GLU A 24 -1.856 -3.777 -9.863 1.00 4.55 C ATOM 356 O GLU A 24 -2.660 -3.560 -8.976 1.00 4.65 O ATOM 357 CB GLU A 24 -3.605 -4.158 -11.617 1.00 5.78 C ATOM 358 CG GLU A 24 -3.731 -4.512 -13.102 1.00 6.35 C ATOM 359 CD GLU A 24 -5.148 -5.019 -13.389 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.999 -4.198 -13.693 1.00 7.92 O ATOM 361 OE2 GLU A 24 -5.356 -6.219 -13.300 1.00 7.77 O ATOM 0 H GLU A 24 -2.721 -6.234 -9.764 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.490 -4.508 -11.864 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.408 -4.630 -11.052 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.709 -3.082 -11.480 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -3.516 -3.637 -13.715 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.000 -5.275 -13.368 1.00 6.35 H new HETATM 368 N MLE A 25 -0.632 -3.298 -9.807 1.00 4.25 N HETATM 369 CN MLE A 25 -0.042 -2.755 -11.074 1.00 5.13 C HETATM 370 CA MLE A 25 -0.201 -2.467 -8.630 1.00 3.66 C HETATM 371 CB MLE A 25 1.180 -2.934 -8.143 1.00 3.52 C HETATM 372 CG MLE A 25 1.788 -1.881 -7.205 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.312 -2.556 -5.938 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.940 -1.163 -7.916 1.00 3.54 C HETATM 375 C MLE A 25 -0.132 -0.990 -9.041 1.00 4.19 C HETATM 376 O MLE A 25 0.812 -0.560 -9.684 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.706 -1.888 -8.191 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.564 -0.673 -8.815 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.370 -0.416 -7.249 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.491 -3.061 -5.429 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.077 -3.285 -6.204 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.742 -1.804 -5.276 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.379 -1.729 -11.222 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.046 -2.773 -11.006 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.363 -3.367 -11.917 1.00 5.13 H new HETATM 0 HG MLE A 25 1.020 -1.157 -6.935 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.088 -3.887 -7.623 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.839 -3.098 -8.995 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.924 -2.584 -7.823 1.00 3.66 H new ATOM 390 N ARG A 26 -1.115 -0.209 -8.687 1.00 4.14 N ATOM 391 CA ARG A 26 -1.074 1.223 -9.080 1.00 4.79 C ATOM 392 C ARG A 26 -1.172 2.120 -7.836 1.00 4.70 C ATOM 393 O ARG A 26 -2.077 1.990 -7.034 1.00 4.97 O ATOM 394 CB ARG A 26 -2.229 1.541 -10.045 1.00 5.59 C ATOM 395 CG ARG A 26 -3.539 0.937 -9.524 1.00 5.99 C ATOM 396 CD ARG A 26 -4.723 1.784 -9.998 1.00 6.35 C ATOM 397 NE ARG A 26 -5.828 1.701 -9.000 1.00 7.16 N ATOM 398 CZ ARG A 26 -6.912 2.413 -9.161 1.00 7.92 C ATOM 399 NH1 ARG A 26 -6.947 3.654 -8.742 1.00 8.52 N ATOM 400 NH2 ARG A 26 -7.961 1.886 -9.738 1.00 8.32 N ATOM 0 H ARG A 26 -1.933 -0.497 -8.150 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.127 1.418 -9.582 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.336 2.620 -10.152 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.005 1.143 -11.035 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.646 -0.087 -9.882 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.523 0.894 -8.435 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.413 2.821 -10.127 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -5.069 1.432 -10.970 1.00 6.35 H new ATOM 0 HE ARG A 26 -5.738 1.087 -8.190 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -6.129 4.063 -8.291 1.00 8.52 H new ATOM 0 HH12 ARG A 26 -7.792 4.211 -8.867 1.00 8.52 H new ATOM 0 HH21 ARG A 26 -7.933 0.919 -10.062 1.00 8.32 H new ATOM 0 HH22 ARG A 26 -8.807 2.442 -9.864 1.00 8.32 H new ATOM 414 N VAL A 27 -0.238 3.027 -7.671 1.00 4.69 N ATOM 415 CA VAL A 27 -0.255 3.936 -6.486 1.00 4.83 C ATOM 416 C VAL A 27 -0.792 5.318 -6.890 1.00 4.79 C ATOM 417 O VAL A 27 -0.634 5.747 -8.019 1.00 5.45 O ATOM 418 CB VAL A 27 1.173 4.085 -5.943 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.643 2.754 -5.356 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.130 4.504 -7.067 1.00 6.04 C ATOM 0 H VAL A 27 0.540 3.176 -8.313 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.902 3.512 -5.718 1.00 4.83 H new ATOM 0 HB VAL A 27 1.172 4.852 -5.168 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.657 2.864 -4.972 1.00 6.10 H new ATOM 0 HG12 VAL A 27 0.977 2.459 -4.545 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.630 1.989 -6.132 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.139 4.606 -6.667 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.125 3.746 -7.850 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.807 5.458 -7.483 1.00 6.04 H new ATOM 430 N ILE A 28 -1.414 6.023 -5.970 1.00 4.28 N ATOM 431 CA ILE A 28 -1.947 7.383 -6.295 1.00 4.40 C ATOM 432 C ILE A 28 -1.060 8.434 -5.614 1.00 4.70 C ATOM 433 O ILE A 28 -0.770 8.339 -4.437 1.00 5.01 O ATOM 434 CB ILE A 28 -3.395 7.510 -5.797 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.281 6.523 -6.571 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.900 8.940 -6.027 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.727 6.621 -6.076 1.00 5.05 C ATOM 0 H ILE A 28 -1.574 5.714 -5.011 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.938 7.538 -7.374 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.434 7.285 -4.731 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -4.237 6.741 -7.638 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.910 5.507 -6.438 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.927 9.025 -5.672 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.269 9.641 -5.481 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.864 9.172 -7.091 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.350 5.918 -6.630 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.765 6.381 -5.014 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -6.097 7.634 -6.232 1.00 5.05 H new ATOM 449 N GLU A 29 -0.620 9.428 -6.354 1.00 5.08 N ATOM 450 CA GLU A 29 0.262 10.485 -5.767 1.00 5.75 C ATOM 451 C GLU A 29 -0.528 11.364 -4.787 1.00 5.30 C ATOM 452 O GLU A 29 -1.718 11.194 -4.598 1.00 4.95 O ATOM 453 CB GLU A 29 0.817 11.360 -6.894 1.00 6.63 C ATOM 454 CG GLU A 29 1.977 10.637 -7.584 1.00 7.40 C ATOM 455 CD GLU A 29 2.346 11.377 -8.873 1.00 8.35 C ATOM 456 OE1 GLU A 29 1.780 11.050 -9.904 1.00 8.53 O ATOM 457 OE2 GLU A 29 3.190 12.257 -8.808 1.00 9.09 O ATOM 0 H GLU A 29 -0.836 9.551 -7.343 1.00 5.08 H new ATOM 0 HA GLU A 29 1.078 10.003 -5.228 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.032 11.580 -7.617 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.158 12.314 -6.493 1.00 6.63 H new ATOM 0 HG2 GLU A 29 2.839 10.592 -6.918 1.00 7.40 H new ATOM 0 HG3 GLU A 29 1.695 9.609 -7.810 1.00 7.40 H new ATOM 464 N SER A 30 0.138 12.308 -4.165 1.00 5.67 N ATOM 465 CA SER A 30 -0.547 13.211 -3.194 1.00 5.68 C ATOM 466 C SER A 30 -0.743 14.596 -3.822 1.00 6.20 C ATOM 467 O SER A 30 -0.118 14.938 -4.810 1.00 6.77 O ATOM 468 CB SER A 30 0.300 13.342 -1.923 1.00 6.35 C ATOM 469 OG SER A 30 1.682 13.240 -2.252 1.00 7.18 O ATOM 0 H SER A 30 1.134 12.490 -4.291 1.00 5.67 H new ATOM 0 HA SER A 30 -1.519 12.789 -2.940 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.101 14.299 -1.440 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.028 12.563 -1.211 1.00 6.35 H new ATOM 0 HG SER A 30 2.044 12.404 -1.889 1.00 7.18 H new ATOM 475 N GLY A 31 -1.612 15.390 -3.250 1.00 6.36 N ATOM 476 CA GLY A 31 -1.873 16.758 -3.793 1.00 7.19 C ATOM 477 C GLY A 31 -3.022 17.399 -3.003 1.00 7.66 C ATOM 478 O GLY A 31 -3.181 17.129 -1.827 1.00 7.75 O ATOM 0 H GLY A 31 -2.157 15.147 -2.423 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -0.975 17.371 -3.716 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.130 16.700 -4.851 1.00 7.19 H new ATOM 482 N PRO A 32 -3.812 18.206 -3.677 1.00 8.17 N ATOM 483 CA PRO A 32 -4.980 18.864 -3.058 1.00 8.85 C ATOM 484 C PRO A 32 -6.097 17.825 -2.868 1.00 8.11 C ATOM 485 O PRO A 32 -6.823 17.847 -1.892 1.00 8.52 O ATOM 486 CB PRO A 32 -5.370 19.944 -4.071 1.00 9.69 C ATOM 487 CG PRO A 32 -4.780 19.499 -5.430 1.00 9.20 C ATOM 488 CD PRO A 32 -3.623 18.533 -5.108 1.00 8.39 C ATOM 0 HA PRO A 32 -4.784 19.292 -2.075 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.453 20.046 -4.132 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.974 20.916 -3.775 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.538 19.007 -6.040 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.422 20.358 -5.998 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.666 17.639 -5.730 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.654 18.999 -5.286 1.00 8.39 H new ATOM 496 N HIS A 33 -6.204 16.903 -3.797 1.00 7.21 N ATOM 497 CA HIS A 33 -7.230 15.813 -3.712 1.00 6.64 C ATOM 498 C HIS A 33 -7.068 15.052 -2.385 1.00 5.94 C ATOM 499 O HIS A 33 -8.037 14.736 -1.720 1.00 6.05 O ATOM 500 CB HIS A 33 -7.046 14.833 -4.888 1.00 6.27 C ATOM 501 CG HIS A 33 -5.585 14.455 -5.035 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.682 15.237 -5.742 1.00 6.54 N ATOM 503 CD2 HIS A 33 -4.852 13.404 -4.535 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.472 14.659 -5.638 1.00 6.20 C ATOM 505 NE2 HIS A 33 -3.521 13.536 -4.917 1.00 5.23 N ATOM 0 H HIS A 33 -5.612 16.860 -4.626 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.225 16.255 -3.759 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -7.645 13.938 -4.721 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.405 15.290 -5.810 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.250 12.598 -3.936 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.571 15.055 -6.083 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -2.748 12.909 -4.694 1.00 5.23 H new ATOM 513 N CYS A 34 -5.845 14.780 -1.995 1.00 5.51 N ATOM 514 CA CYS A 34 -5.587 14.070 -0.715 1.00 5.12 C ATOM 515 C CYS A 34 -4.191 14.447 -0.208 1.00 5.54 C ATOM 516 O CYS A 34 -3.220 14.395 -0.942 1.00 5.84 O ATOM 517 CB CYS A 34 -5.674 12.550 -0.896 1.00 4.12 C ATOM 518 SG CYS A 34 -6.515 11.848 0.540 1.00 4.37 S ATOM 0 H CYS A 34 -5.007 15.026 -2.522 1.00 5.51 H new ATOM 0 HA CYS A 34 -6.346 14.368 0.008 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.218 12.308 -1.809 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.676 12.123 -0.997 1.00 4.12 H new ATOM 523 N ALA A 35 -4.090 14.839 1.038 1.00 5.90 N ATOM 524 CA ALA A 35 -2.765 15.243 1.606 1.00 6.66 C ATOM 525 C ALA A 35 -1.827 14.032 1.719 1.00 6.33 C ATOM 526 O ALA A 35 -0.654 14.122 1.410 1.00 6.77 O ATOM 527 CB ALA A 35 -2.974 15.852 2.996 1.00 7.59 C ATOM 0 H ALA A 35 -4.872 14.897 1.690 1.00 5.90 H new ATOM 0 HA ALA A 35 -2.310 15.975 0.939 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -2.011 16.147 3.412 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -3.619 16.727 2.917 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -3.441 15.115 3.649 1.00 7.59 H new ATOM 533 N ASN A 36 -2.330 12.909 2.171 1.00 5.85 N ATOM 534 CA ASN A 36 -1.464 11.700 2.321 1.00 5.88 C ATOM 535 C ASN A 36 -1.484 10.855 1.041 1.00 5.34 C ATOM 536 O ASN A 36 -2.489 10.752 0.363 1.00 5.26 O ATOM 537 CB ASN A 36 -1.968 10.856 3.496 1.00 6.50 C ATOM 538 CG ASN A 36 -1.261 11.290 4.782 1.00 7.27 C ATOM 539 OD1 ASN A 36 -1.670 12.238 5.424 1.00 7.78 O ATOM 540 ND2 ASN A 36 -0.208 10.632 5.189 1.00 7.61 N ATOM 0 H ASN A 36 -3.304 12.778 2.443 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.441 12.025 2.507 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -3.046 10.973 3.605 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.780 9.800 3.305 1.00 6.50 H new ATOM 0 HD21 ASN A 36 0.270 10.914 6.045 1.00 7.61 H new ATOM 0 HD22 ASN A 36 0.136 9.837 4.651 1.00 7.61 H new ATOM 547 N THR A 37 -0.369 10.238 0.725 1.00 5.30 N ATOM 548 CA THR A 37 -0.283 9.372 -0.494 1.00 5.18 C ATOM 549 C THR A 37 -0.750 7.955 -0.125 1.00 4.58 C ATOM 550 O THR A 37 -0.699 7.567 1.028 1.00 4.95 O ATOM 551 CB THR A 37 1.173 9.327 -0.987 1.00 5.98 C ATOM 552 OG1 THR A 37 1.796 10.585 -0.754 1.00 6.76 O ATOM 553 CG2 THR A 37 1.208 9.020 -2.484 1.00 6.31 C ATOM 0 H THR A 37 0.494 10.299 1.266 1.00 5.30 H new ATOM 0 HA THR A 37 -0.915 9.775 -1.286 1.00 5.18 H new ATOM 0 HB THR A 37 1.706 8.546 -0.444 1.00 5.98 H new ATOM 0 HG1 THR A 37 2.724 10.554 -1.067 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.243 8.990 -2.825 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.737 8.055 -2.669 1.00 6.31 H new ATOM 0 HG23 THR A 37 0.669 9.796 -3.027 1.00 6.31 H new ATOM 561 N GLU A 38 -1.213 7.179 -1.082 1.00 3.94 N ATOM 562 CA GLU A 38 -1.686 5.799 -0.753 1.00 3.67 C ATOM 563 C GLU A 38 -1.419 4.847 -1.924 1.00 2.99 C ATOM 564 O GLU A 38 -1.494 5.227 -3.078 1.00 3.33 O ATOM 565 CB GLU A 38 -3.191 5.835 -0.462 1.00 4.35 C ATOM 566 CG GLU A 38 -3.512 4.908 0.715 1.00 4.96 C ATOM 567 CD GLU A 38 -3.357 5.673 2.033 1.00 5.76 C ATOM 568 OE1 GLU A 38 -2.255 5.692 2.560 1.00 6.28 O ATOM 569 OE2 GLU A 38 -4.343 6.223 2.496 1.00 6.10 O ATOM 0 H GLU A 38 -1.282 7.441 -2.065 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.145 5.441 0.123 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.502 6.854 -0.230 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.749 5.524 -1.345 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.529 4.526 0.623 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -2.845 4.046 0.703 1.00 4.96 H new ATOM 576 N ILE A 39 -1.126 3.601 -1.626 1.00 2.48 N ATOM 577 CA ILE A 39 -0.868 2.601 -2.709 1.00 2.38 C ATOM 578 C ILE A 39 -2.176 1.845 -2.996 1.00 2.16 C ATOM 579 O ILE A 39 -3.071 1.823 -2.175 1.00 2.22 O ATOM 580 CB ILE A 39 0.223 1.622 -2.232 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.567 2.361 -2.132 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.364 0.455 -3.216 1.00 3.44 C ATOM 583 CD1 ILE A 39 1.905 2.634 -0.663 1.00 2.94 C ATOM 0 H ILE A 39 -1.055 3.235 -0.677 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.529 3.094 -3.620 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.062 1.231 -1.255 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.355 1.764 -2.590 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.517 3.300 -2.683 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.138 -0.226 -2.864 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.584 -0.078 -3.286 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.638 0.839 -4.199 1.00 3.44 H new ATOM 0 HD11 ILE A 39 2.859 3.158 -0.600 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.123 3.249 -0.218 1.00 2.94 H new ATOM 0 HD13 ILE A 39 1.974 1.689 -0.124 1.00 2.94 H new ATOM 595 N ILE A 40 -2.302 1.229 -4.151 1.00 2.34 N ATOM 596 CA ILE A 40 -3.559 0.475 -4.464 1.00 2.36 C ATOM 597 C ILE A 40 -3.234 -0.721 -5.360 1.00 2.37 C ATOM 598 O ILE A 40 -3.068 -0.587 -6.560 1.00 3.02 O ATOM 599 CB ILE A 40 -4.576 1.371 -5.180 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.872 2.608 -4.324 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.869 0.575 -5.397 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.685 3.617 -5.136 1.00 4.01 C ATOM 0 H ILE A 40 -1.594 1.216 -4.885 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.991 0.134 -3.523 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.172 1.693 -6.140 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.423 2.319 -3.429 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.939 3.063 -3.991 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.601 1.202 -5.906 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.657 -0.304 -6.006 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.269 0.260 -4.433 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.893 4.494 -4.523 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.118 3.916 -6.017 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.625 3.161 -5.447 1.00 4.01 H new ATOM 614 N VAL A 41 -3.151 -1.891 -4.787 1.00 2.04 N ATOM 615 CA VAL A 41 -2.848 -3.102 -5.590 1.00 2.10 C ATOM 616 C VAL A 41 -4.146 -3.871 -5.882 1.00 2.33 C ATOM 617 O VAL A 41 -5.188 -3.593 -5.316 1.00 2.79 O ATOM 618 CB VAL A 41 -1.880 -4.001 -4.815 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.562 -3.262 -4.583 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.491 -4.397 -3.464 1.00 3.20 C ATOM 0 H VAL A 41 -3.282 -2.057 -3.789 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.390 -2.803 -6.533 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.694 -4.902 -5.399 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.124 -3.905 -4.031 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.119 -2.998 -5.543 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.750 -2.355 -4.009 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.793 -5.036 -2.923 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.691 -3.500 -2.878 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.423 -4.937 -3.630 1.00 3.20 H new ATOM 630 N LYS A 42 -4.077 -4.838 -6.760 1.00 2.44 N ATOM 631 CA LYS A 42 -5.282 -5.646 -7.104 1.00 2.97 C ATOM 632 C LYS A 42 -4.896 -7.129 -7.099 1.00 2.77 C ATOM 633 O LYS A 42 -4.358 -7.642 -8.064 1.00 2.98 O ATOM 634 CB LYS A 42 -5.793 -5.241 -8.492 1.00 3.77 C ATOM 635 CG LYS A 42 -7.228 -4.715 -8.381 1.00 4.68 C ATOM 636 CD LYS A 42 -7.994 -5.041 -9.665 1.00 5.42 C ATOM 637 CE LYS A 42 -9.395 -4.424 -9.598 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.010 -4.430 -10.956 1.00 6.76 N ATOM 0 H LYS A 42 -3.227 -5.104 -7.258 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.072 -5.470 -6.374 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.146 -4.474 -8.919 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.760 -6.097 -9.166 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.726 -5.167 -7.523 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.220 -3.638 -8.214 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.456 -4.653 -10.530 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -8.067 -6.121 -9.793 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -10.018 -4.987 -8.903 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.336 -3.404 -9.219 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -10.961 -4.011 -10.908 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -9.419 -3.875 -11.607 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.080 -5.409 -11.301 1.00 6.76 H new ATOM 652 N LEU A 43 -5.150 -7.812 -6.008 1.00 3.01 N ATOM 653 CA LEU A 43 -4.792 -9.258 -5.902 1.00 3.31 C ATOM 654 C LEU A 43 -5.364 -10.053 -7.078 1.00 3.92 C ATOM 655 O LEU A 43 -6.421 -9.744 -7.605 1.00 4.54 O ATOM 656 CB LEU A 43 -5.354 -9.826 -4.604 1.00 4.01 C ATOM 657 CG LEU A 43 -4.391 -9.523 -3.450 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.079 -9.812 -2.113 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.140 -10.399 -3.578 1.00 3.91 C ATOM 0 H LEU A 43 -5.596 -7.422 -5.178 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.705 -9.342 -5.915 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.332 -9.391 -4.398 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.497 -10.902 -4.698 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.105 -8.472 -3.491 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.391 -9.595 -1.296 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -5.966 -9.185 -2.017 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.371 -10.861 -2.073 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.458 -10.181 -2.756 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.427 -11.450 -3.543 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.645 -10.190 -4.526 1.00 3.91 H new ATOM 671 N SER A 44 -4.655 -11.082 -7.476 1.00 3.99 N ATOM 672 CA SER A 44 -5.092 -11.944 -8.615 1.00 4.72 C ATOM 673 C SER A 44 -6.472 -12.566 -8.347 1.00 5.55 C ATOM 674 O SER A 44 -7.160 -12.956 -9.272 1.00 6.08 O ATOM 675 CB SER A 44 -4.068 -13.065 -8.829 1.00 4.98 C ATOM 676 OG SER A 44 -3.747 -13.663 -7.579 1.00 5.08 O ATOM 0 H SER A 44 -3.773 -11.365 -7.049 1.00 3.99 H new ATOM 0 HA SER A 44 -5.162 -11.320 -9.506 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.472 -13.815 -9.509 1.00 4.98 H new ATOM 0 HB3 SER A 44 -3.167 -12.665 -9.294 1.00 4.98 H new ATOM 0 HG SER A 44 -3.094 -14.380 -7.718 1.00 5.08 H new ATOM 682 N ASP A 45 -6.890 -12.664 -7.101 1.00 5.91 N ATOM 683 CA ASP A 45 -8.225 -13.259 -6.810 1.00 7.02 C ATOM 684 C ASP A 45 -9.331 -12.188 -6.917 1.00 7.25 C ATOM 685 O ASP A 45 -10.369 -12.295 -6.288 1.00 8.19 O ATOM 686 CB ASP A 45 -8.231 -13.898 -5.407 1.00 7.64 C ATOM 687 CG ASP A 45 -7.713 -12.908 -4.359 1.00 8.01 C ATOM 688 OD1 ASP A 45 -6.512 -12.868 -4.150 1.00 8.63 O ATOM 689 OD2 ASP A 45 -8.528 -12.216 -3.775 1.00 7.89 O ATOM 0 H ASP A 45 -6.363 -12.358 -6.283 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.425 -14.035 -7.548 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -9.242 -14.212 -5.149 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -7.610 -14.793 -5.407 1.00 7.64 H new ATOM 694 N GLY A 46 -9.125 -11.169 -7.727 1.00 6.57 N ATOM 695 CA GLY A 46 -10.157 -10.103 -7.901 1.00 7.07 C ATOM 696 C GLY A 46 -10.335 -9.300 -6.611 1.00 6.74 C ATOM 697 O GLY A 46 -11.440 -8.924 -6.265 1.00 7.17 O ATOM 0 H GLY A 46 -8.277 -11.035 -8.277 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.864 -9.436 -8.712 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.107 -10.554 -8.187 1.00 7.07 H new ATOM 701 N ARG A 47 -9.269 -9.029 -5.896 1.00 6.21 N ATOM 702 CA ARG A 47 -9.406 -8.245 -4.633 1.00 6.07 C ATOM 703 C ARG A 47 -8.683 -6.899 -4.773 1.00 5.32 C ATOM 704 O ARG A 47 -7.811 -6.737 -5.601 1.00 5.06 O ATOM 705 CB ARG A 47 -8.791 -9.047 -3.484 1.00 6.43 C ATOM 706 CG ARG A 47 -9.319 -8.539 -2.138 1.00 7.27 C ATOM 707 CD ARG A 47 -10.818 -8.835 -2.025 1.00 7.96 C ATOM 708 NE ARG A 47 -11.179 -9.064 -0.595 1.00 8.82 N ATOM 709 CZ ARG A 47 -12.394 -9.427 -0.278 1.00 9.62 C ATOM 710 NH1 ARG A 47 -12.769 -10.671 -0.436 1.00 10.15 N ATOM 711 NH2 ARG A 47 -13.236 -8.545 0.199 1.00 10.10 N ATOM 0 H ARG A 47 -8.319 -9.315 -6.132 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.460 -8.057 -4.429 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -9.030 -10.104 -3.601 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.705 -8.961 -3.512 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.781 -9.020 -1.321 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.143 -7.467 -2.049 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.394 -8.002 -2.427 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -11.071 -9.713 -2.619 1.00 7.96 H new ATOM 0 HE ARG A 47 -10.478 -8.937 0.135 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -12.113 -11.358 -0.807 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -13.717 -10.953 -0.188 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -12.944 -7.576 0.323 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -14.184 -8.827 0.447 1.00 10.10 H new ATOM 725 N GLU A 48 -9.043 -5.938 -3.960 1.00 5.24 N ATOM 726 CA GLU A 48 -8.380 -4.601 -4.015 1.00 4.73 C ATOM 727 C GLU A 48 -7.949 -4.222 -2.598 1.00 4.69 C ATOM 728 O GLU A 48 -8.763 -4.126 -1.698 1.00 5.44 O ATOM 729 CB GLU A 48 -9.359 -3.555 -4.560 1.00 5.60 C ATOM 730 CG GLU A 48 -8.604 -2.254 -4.856 1.00 5.76 C ATOM 731 CD GLU A 48 -9.449 -1.362 -5.770 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.323 -1.496 -6.977 1.00 7.44 O ATOM 733 OE2 GLU A 48 -10.204 -0.558 -5.248 1.00 7.12 O ATOM 0 H GLU A 48 -9.775 -6.024 -3.254 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.512 -4.639 -4.674 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -9.836 -3.926 -5.467 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.152 -3.371 -3.835 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.383 -1.731 -3.926 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -7.649 -2.477 -5.332 1.00 5.76 H new ATOM 740 N LEU A 49 -6.674 -4.017 -2.394 1.00 4.08 N ATOM 741 CA LEU A 49 -6.177 -3.656 -1.034 1.00 4.35 C ATOM 742 C LEU A 49 -5.225 -2.476 -1.147 1.00 3.99 C ATOM 743 O LEU A 49 -4.210 -2.566 -1.797 1.00 3.87 O ATOM 744 CB LEU A 49 -5.399 -4.832 -0.440 1.00 4.67 C ATOM 745 CG LEU A 49 -6.158 -5.444 0.737 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.151 -6.488 0.225 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.155 -6.120 1.676 1.00 4.69 C ATOM 0 H LEU A 49 -5.954 -4.084 -3.113 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.028 -3.407 -0.400 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.235 -5.590 -1.206 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.417 -4.495 -0.109 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.701 -4.662 1.268 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.690 -6.922 1.067 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.860 -6.014 -0.454 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.612 -7.274 -0.304 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.686 -6.560 2.520 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.621 -6.902 1.136 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.443 -5.380 2.042 1.00 4.69 H new ATOM 759 N CYS A 50 -5.513 -1.389 -0.493 1.00 3.99 N ATOM 760 CA CYS A 50 -4.586 -0.231 -0.549 1.00 3.63 C ATOM 761 C CYS A 50 -3.493 -0.471 0.482 1.00 3.49 C ATOM 762 O CYS A 50 -3.741 -1.027 1.533 1.00 4.14 O ATOM 763 CB CYS A 50 -5.321 1.054 -0.237 1.00 3.72 C ATOM 764 SG CYS A 50 -6.923 1.068 -1.089 1.00 4.64 S ATOM 0 H CYS A 50 -6.348 -1.253 0.076 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.161 -0.135 -1.548 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.470 1.146 0.839 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.724 1.910 -0.551 1.00 3.72 H new ATOM 769 N LEU A 51 -2.285 -0.097 0.182 1.00 2.91 N ATOM 770 CA LEU A 51 -1.178 -0.348 1.131 1.00 2.96 C ATOM 771 C LEU A 51 -0.785 0.919 1.872 1.00 3.35 C ATOM 772 O LEU A 51 -1.016 2.034 1.428 1.00 3.56 O ATOM 773 CB LEU A 51 0.030 -0.896 0.387 1.00 2.71 C ATOM 774 CG LEU A 51 -0.281 -2.298 -0.152 1.00 2.56 C ATOM 775 CD1 LEU A 51 -1.117 -2.197 -1.423 1.00 2.98 C ATOM 776 CD2 LEU A 51 1.028 -3.029 -0.461 1.00 2.61 C ATOM 0 H LEU A 51 -2.018 0.373 -0.683 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.524 -1.079 1.862 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.294 -0.231 -0.435 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.891 -0.936 1.054 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.842 -2.851 0.601 1.00 2.56 H new ATOM 0 HD11 LEU A 51 -1.332 -3.198 -1.797 1.00 2.98 H new ATOM 0 HD12 LEU A 51 -2.053 -1.683 -1.203 1.00 2.98 H new ATOM 0 HD13 LEU A 51 -0.565 -1.638 -2.178 1.00 2.98 H new ATOM 0 HD21 LEU A 51 0.807 -4.025 -0.844 1.00 2.61 H new ATOM 0 HD22 LEU A 51 1.590 -2.469 -1.209 1.00 2.61 H new ATOM 0 HD23 LEU A 51 1.621 -3.114 0.450 1.00 2.61 H new ATOM 788 N ASP A 52 -0.185 0.715 3.010 1.00 3.84 N ATOM 789 CA ASP A 52 0.258 1.836 3.876 1.00 4.35 C ATOM 790 C ASP A 52 1.764 2.070 3.688 1.00 4.47 C ATOM 791 O ASP A 52 2.568 1.206 3.999 1.00 4.73 O ATOM 792 CB ASP A 52 -0.025 1.459 5.340 1.00 4.93 C ATOM 793 CG ASP A 52 -0.201 2.718 6.206 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.392 3.739 5.889 1.00 5.96 O ATOM 795 OD2 ASP A 52 -0.924 2.634 7.185 1.00 5.40 O ATOM 0 H ASP A 52 0.022 -0.211 3.384 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.278 2.748 3.612 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.925 0.846 5.395 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.795 0.856 5.730 1.00 4.93 H new ATOM 800 N PRO A 53 2.107 3.246 3.208 1.00 4.54 N ATOM 801 CA PRO A 53 3.517 3.624 2.988 1.00 4.96 C ATOM 802 C PRO A 53 4.250 3.825 4.329 1.00 5.21 C ATOM 803 O PRO A 53 5.452 4.017 4.355 1.00 5.67 O ATOM 804 CB PRO A 53 3.424 4.923 2.179 1.00 5.26 C ATOM 805 CG PRO A 53 2.013 5.497 2.439 1.00 5.04 C ATOM 806 CD PRO A 53 1.135 4.307 2.859 1.00 4.55 C ATOM 0 HA PRO A 53 4.091 2.858 2.466 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.194 5.630 2.489 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.576 4.731 1.117 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.040 6.256 3.221 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.617 5.976 1.544 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.500 4.560 3.708 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.476 3.993 2.050 1.00 4.55 H new ATOM 814 N LYS A 54 3.540 3.762 5.441 1.00 5.18 N ATOM 815 CA LYS A 54 4.193 3.925 6.767 1.00 5.61 C ATOM 816 C LYS A 54 5.186 2.777 7.003 1.00 5.02 C ATOM 817 O LYS A 54 6.175 2.946 7.692 1.00 5.42 O ATOM 818 CB LYS A 54 3.132 3.917 7.876 1.00 6.23 C ATOM 819 CG LYS A 54 3.050 5.302 8.523 1.00 7.12 C ATOM 820 CD LYS A 54 1.997 6.147 7.801 1.00 7.85 C ATOM 821 CE LYS A 54 1.728 7.425 8.601 1.00 8.63 C ATOM 822 NZ LYS A 54 0.910 8.366 7.783 1.00 9.56 N ATOM 0 H LYS A 54 2.533 3.604 5.475 1.00 5.18 H new ATOM 0 HA LYS A 54 4.726 4.875 6.784 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.162 3.640 7.462 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.383 3.168 8.627 1.00 6.23 H new ATOM 0 HG2 LYS A 54 2.793 5.207 9.578 1.00 7.12 H new ATOM 0 HG3 LYS A 54 4.021 5.795 8.475 1.00 7.12 H new ATOM 0 HD2 LYS A 54 2.343 6.399 6.799 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.075 5.577 7.686 1.00 7.85 H new ATOM 0 HE2 LYS A 54 1.205 7.183 9.526 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.670 7.896 8.881 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 0.729 9.233 8.328 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 1.425 8.606 6.912 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 0.005 7.916 7.537 1.00 9.56 H new ATOM 836 N GLU A 55 4.941 1.612 6.433 1.00 4.37 N ATOM 837 CA GLU A 55 5.882 0.477 6.627 1.00 4.14 C ATOM 838 C GLU A 55 6.978 0.544 5.567 1.00 3.84 C ATOM 839 O GLU A 55 6.901 1.301 4.615 1.00 3.83 O ATOM 840 CB GLU A 55 5.142 -0.854 6.467 1.00 4.19 C ATOM 841 CG GLU A 55 4.416 -1.230 7.759 1.00 4.76 C ATOM 842 CD GLU A 55 5.436 -1.503 8.869 1.00 5.39 C ATOM 843 OE1 GLU A 55 6.026 -2.572 8.855 1.00 5.43 O ATOM 844 OE2 GLU A 55 5.610 -0.639 9.712 1.00 6.13 O ATOM 0 H GLU A 55 4.131 1.410 5.847 1.00 4.37 H new ATOM 0 HA GLU A 55 6.310 0.544 7.627 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.425 -0.781 5.650 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.850 -1.639 6.200 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.747 -0.423 8.058 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.798 -2.113 7.596 1.00 4.76 H new ATOM 851 N ASN A 56 7.976 -0.277 5.713 1.00 3.90 N ATOM 852 CA ASN A 56 9.077 -0.319 4.712 1.00 3.93 C ATOM 853 C ASN A 56 8.807 -1.460 3.726 1.00 3.74 C ATOM 854 O ASN A 56 9.380 -1.508 2.656 1.00 3.89 O ATOM 855 CB ASN A 56 10.405 -0.554 5.418 1.00 4.29 C ATOM 856 CG ASN A 56 11.318 0.659 5.218 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.822 0.883 4.136 1.00 4.90 O ATOM 858 ND2 ASN A 56 11.555 1.457 6.225 1.00 5.15 N ATOM 0 H ASN A 56 8.078 -0.928 6.491 1.00 3.90 H new ATOM 0 HA ASN A 56 9.124 0.629 4.176 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.237 -0.724 6.482 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.884 -1.450 5.024 1.00 4.29 H new ATOM 0 HD21 ASN A 56 12.163 2.267 6.102 1.00 5.15 H new ATOM 0 HD22 ASN A 56 11.132 1.270 7.134 1.00 5.15 H new ATOM 865 N TRP A 57 7.935 -2.379 4.083 1.00 3.55 N ATOM 866 CA TRP A 57 7.617 -3.514 3.188 1.00 3.47 C ATOM 867 C TRP A 57 6.702 -3.044 2.058 1.00 3.28 C ATOM 868 O TRP A 57 6.832 -3.481 0.942 1.00 3.48 O ATOM 869 CB TRP A 57 6.956 -4.640 3.998 1.00 3.64 C ATOM 870 CG TRP A 57 5.531 -4.342 4.329 1.00 3.70 C ATOM 871 CD1 TRP A 57 5.103 -3.907 5.523 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.342 -4.469 3.493 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.731 -3.787 5.492 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.215 -4.106 4.259 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.136 -4.860 2.162 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.924 -4.130 3.729 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.845 -4.882 1.621 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.738 -4.519 2.400 1.00 3.38 C ATOM 0 H TRP A 57 7.431 -2.380 4.970 1.00 3.55 H new ATOM 0 HA TRP A 57 8.535 -3.899 2.745 1.00 3.47 H new ATOM 0 HB2 TRP A 57 7.008 -5.570 3.432 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.515 -4.797 4.920 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.733 -3.686 6.372 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.165 -3.496 6.289 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.979 -5.146 1.550 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.078 -3.851 4.340 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.701 -5.182 0.593 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.745 -4.540 1.975 1.00 3.38 H new ATOM 889 N VAL A 58 5.784 -2.157 2.339 1.00 3.02 N ATOM 890 CA VAL A 58 4.871 -1.661 1.261 1.00 2.84 C ATOM 891 C VAL A 58 5.697 -0.910 0.208 1.00 2.99 C ATOM 892 O VAL A 58 5.495 -1.078 -0.980 1.00 3.21 O ATOM 893 CB VAL A 58 3.821 -0.718 1.868 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.200 0.164 0.782 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.718 -1.530 2.534 1.00 2.85 C ATOM 0 H VAL A 58 5.625 -1.755 3.263 1.00 3.02 H new ATOM 0 HA VAL A 58 4.364 -2.504 0.792 1.00 2.84 H new ATOM 0 HB VAL A 58 4.315 -0.086 2.606 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.459 0.825 1.230 1.00 2.80 H new ATOM 0 HG12 VAL A 58 3.979 0.761 0.308 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.719 -0.465 0.033 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.977 -0.855 2.962 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.240 -2.171 1.793 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.147 -2.147 3.324 1.00 2.85 H new ATOM 905 N GLN A 59 6.624 -0.088 0.639 1.00 3.12 N ATOM 906 CA GLN A 59 7.464 0.673 -0.327 1.00 3.61 C ATOM 907 C GLN A 59 8.531 -0.244 -0.946 1.00 3.90 C ATOM 908 O GLN A 59 8.996 -0.005 -2.044 1.00 4.47 O ATOM 909 CB GLN A 59 8.118 1.850 0.392 1.00 3.82 C ATOM 910 CG GLN A 59 9.111 1.321 1.414 1.00 4.33 C ATOM 911 CD GLN A 59 9.724 2.484 2.195 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.212 2.874 3.226 1.00 4.84 O ATOM 913 NE2 GLN A 59 10.808 3.058 1.748 1.00 5.29 N ATOM 0 H GLN A 59 6.832 0.086 1.622 1.00 3.12 H new ATOM 0 HA GLN A 59 6.836 1.051 -1.133 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.625 2.494 -0.326 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.359 2.458 0.885 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.611 0.635 2.098 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.896 0.755 0.912 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.238 2.731 0.883 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.225 3.833 2.264 1.00 5.29 H new ATOM 922 N ARG A 60 8.903 -1.306 -0.266 1.00 3.65 N ATOM 923 CA ARG A 60 9.912 -2.248 -0.834 1.00 3.97 C ATOM 924 C ARG A 60 9.182 -3.222 -1.758 1.00 3.96 C ATOM 925 O ARG A 60 9.669 -3.576 -2.814 1.00 4.42 O ATOM 926 CB ARG A 60 10.593 -3.026 0.293 1.00 4.07 C ATOM 927 CG ARG A 60 12.028 -3.371 -0.112 1.00 4.60 C ATOM 928 CD ARG A 60 12.856 -3.674 1.139 1.00 4.81 C ATOM 929 NE ARG A 60 12.406 -4.964 1.740 1.00 5.26 N ATOM 930 CZ ARG A 60 13.030 -5.454 2.778 1.00 5.84 C ATOM 931 NH1 ARG A 60 12.798 -4.967 3.970 1.00 6.25 N ATOM 932 NH2 ARG A 60 13.888 -6.429 2.624 1.00 6.35 N ATOM 0 H ARG A 60 8.549 -1.557 0.657 1.00 3.65 H new ATOM 0 HA ARG A 60 10.673 -1.695 -1.385 1.00 3.97 H new ATOM 0 HB2 ARG A 60 10.596 -2.433 1.207 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.036 -3.938 0.506 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.031 -4.233 -0.780 1.00 4.60 H new ATOM 0 HG3 ARG A 60 12.471 -2.540 -0.661 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.914 -3.731 0.882 1.00 4.81 H new ATOM 0 HD3 ARG A 60 12.747 -2.867 1.863 1.00 4.81 H new ATOM 0 HE ARG A 60 11.611 -5.463 1.340 1.00 5.26 H new ATOM 0 HH11 ARG A 60 12.130 -4.205 4.089 1.00 6.25 H new ATOM 0 HH12 ARG A 60 13.285 -5.349 4.781 1.00 6.25 H new ATOM 0 HH21 ARG A 60 14.070 -6.806 1.694 1.00 6.35 H new ATOM 0 HH22 ARG A 60 14.376 -6.812 3.434 1.00 6.35 H new ATOM 946 N VAL A 61 8.004 -3.645 -1.360 1.00 3.58 N ATOM 947 CA VAL A 61 7.207 -4.585 -2.200 1.00 3.55 C ATOM 948 C VAL A 61 6.781 -3.868 -3.487 1.00 3.25 C ATOM 949 O VAL A 61 6.839 -4.433 -4.563 1.00 3.52 O ATOM 950 CB VAL A 61 5.973 -5.043 -1.405 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.958 -5.701 -2.336 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.402 -6.053 -0.339 1.00 4.31 C ATOM 0 H VAL A 61 7.561 -3.375 -0.482 1.00 3.58 H new ATOM 0 HA VAL A 61 7.803 -5.459 -2.463 1.00 3.55 H new ATOM 0 HB VAL A 61 5.515 -4.173 -0.934 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.090 -6.020 -1.760 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.646 -4.986 -3.097 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.413 -6.567 -2.817 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.529 -6.379 0.226 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.866 -6.914 -0.820 1.00 4.31 H new ATOM 0 HG23 VAL A 61 7.118 -5.586 0.337 1.00 4.31 H new ATOM 962 N VAL A 62 6.371 -2.624 -3.385 1.00 2.99 N ATOM 963 CA VAL A 62 5.958 -1.865 -4.606 1.00 3.22 C ATOM 964 C VAL A 62 7.198 -1.609 -5.481 1.00 3.80 C ATOM 965 O VAL A 62 7.132 -1.689 -6.694 1.00 4.15 O ATOM 966 CB VAL A 62 5.293 -0.536 -4.199 1.00 3.53 C ATOM 967 CG1 VAL A 62 6.332 0.431 -3.625 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.629 0.102 -5.423 1.00 3.34 C ATOM 0 H VAL A 62 6.305 -2.104 -2.510 1.00 2.99 H new ATOM 0 HA VAL A 62 5.233 -2.446 -5.176 1.00 3.22 H new ATOM 0 HB VAL A 62 4.543 -0.742 -3.436 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.844 1.364 -3.343 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.798 -0.015 -2.746 1.00 4.40 H new ATOM 0 HG13 VAL A 62 7.095 0.633 -4.377 1.00 4.40 H new ATOM 0 HG21 VAL A 62 4.159 1.042 -5.133 1.00 3.34 H new ATOM 0 HG22 VAL A 62 5.382 0.293 -6.187 1.00 3.34 H new ATOM 0 HG23 VAL A 62 3.872 -0.575 -5.821 1.00 3.34 H new ATOM 978 N GLU A 63 8.330 -1.315 -4.873 1.00 4.04 N ATOM 979 CA GLU A 63 9.570 -1.070 -5.661 1.00 4.68 C ATOM 980 C GLU A 63 10.021 -2.378 -6.320 1.00 4.70 C ATOM 981 O GLU A 63 10.379 -2.400 -7.479 1.00 5.23 O ATOM 982 CB GLU A 63 10.678 -0.550 -4.739 1.00 5.11 C ATOM 983 CG GLU A 63 11.550 0.455 -5.497 1.00 5.73 C ATOM 984 CD GLU A 63 12.002 1.564 -4.543 1.00 6.00 C ATOM 985 OE1 GLU A 63 11.206 2.452 -4.277 1.00 6.46 O ATOM 986 OE2 GLU A 63 13.137 1.506 -4.096 1.00 6.04 O ATOM 0 H GLU A 63 8.440 -1.236 -3.862 1.00 4.04 H new ATOM 0 HA GLU A 63 9.367 -0.325 -6.430 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.241 -0.077 -3.860 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.288 -1.380 -4.383 1.00 5.11 H new ATOM 0 HG2 GLU A 63 12.418 -0.049 -5.922 1.00 5.73 H new ATOM 0 HG3 GLU A 63 10.990 0.883 -6.329 1.00 5.73 H new ATOM 993 N LYS A 64 9.997 -3.471 -5.592 1.00 4.35 N ATOM 994 CA LYS A 64 10.410 -4.776 -6.178 1.00 4.71 C ATOM 995 C LYS A 64 9.423 -5.177 -7.286 1.00 4.54 C ATOM 996 O LYS A 64 9.779 -5.864 -8.224 1.00 5.00 O ATOM 997 CB LYS A 64 10.420 -5.850 -5.085 1.00 4.74 C ATOM 998 CG LYS A 64 11.363 -6.986 -5.491 1.00 5.62 C ATOM 999 CD LYS A 64 10.684 -8.335 -5.236 1.00 6.24 C ATOM 1000 CE LYS A 64 11.722 -9.346 -4.736 1.00 7.07 C ATOM 1001 NZ LYS A 64 11.076 -10.298 -3.787 1.00 7.79 N ATOM 0 H LYS A 64 9.707 -3.510 -4.615 1.00 4.35 H new ATOM 0 HA LYS A 64 11.410 -4.683 -6.601 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.742 -5.417 -4.138 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.413 -6.237 -4.932 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.627 -6.894 -6.545 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.291 -6.922 -4.923 1.00 5.62 H new ATOM 0 HD2 LYS A 64 9.889 -8.220 -4.499 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.219 -8.699 -6.152 1.00 6.24 H new ATOM 0 HE2 LYS A 64 12.150 -9.890 -5.578 1.00 7.07 H new ATOM 0 HE3 LYS A 64 12.543 -8.826 -4.243 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 11.781 -10.983 -3.449 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 10.688 -9.772 -2.978 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 10.307 -10.803 -4.272 1.00 7.79 H new ATOM 1015 N PHE A 65 8.187 -4.747 -7.178 1.00 4.02 N ATOM 1016 CA PHE A 65 7.163 -5.084 -8.209 1.00 3.99 C ATOM 1017 C PHE A 65 7.426 -4.279 -9.490 1.00 4.72 C ATOM 1018 O PHE A 65 7.474 -4.828 -10.574 1.00 5.31 O ATOM 1019 CB PHE A 65 5.778 -4.731 -7.658 1.00 3.16 C ATOM 1020 CG PHE A 65 4.707 -5.475 -8.424 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.617 -6.870 -8.340 1.00 3.45 C ATOM 1022 CD2 PHE A 65 3.799 -4.763 -9.215 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.619 -7.551 -9.047 1.00 3.48 C ATOM 1024 CE2 PHE A 65 2.801 -5.442 -9.921 1.00 3.10 C ATOM 1025 CZ PHE A 65 2.711 -6.837 -9.838 1.00 3.19 C ATOM 0 H PHE A 65 7.844 -4.171 -6.409 1.00 4.02 H new ATOM 0 HA PHE A 65 7.213 -6.147 -8.444 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.723 -4.987 -6.600 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.611 -3.657 -7.735 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.318 -7.420 -7.730 1.00 3.45 H new ATOM 0 HD2 PHE A 65 3.869 -3.687 -9.280 1.00 2.97 H new ATOM 0 HE1 PHE A 65 3.550 -8.627 -8.982 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.100 -4.891 -10.530 1.00 3.10 H new ATOM 0 HZ PHE A 65 1.941 -7.362 -10.384 1.00 3.19 H new ATOM 1035 N LEU A 66 7.590 -2.981 -9.370 1.00 4.92 N ATOM 1036 CA LEU A 66 7.841 -2.136 -10.579 1.00 5.86 C ATOM 1037 C LEU A 66 9.342 -1.835 -10.712 1.00 6.61 C ATOM 1038 O LEU A 66 9.977 -2.262 -11.658 1.00 7.33 O ATOM 1039 CB LEU A 66 7.058 -0.821 -10.455 1.00 6.18 C ATOM 1040 CG LEU A 66 7.149 -0.037 -11.770 1.00 7.14 C ATOM 1041 CD1 LEU A 66 5.991 -0.437 -12.689 1.00 7.61 C ATOM 1042 CD2 LEU A 66 7.070 1.464 -11.477 1.00 7.67 C ATOM 0 H LEU A 66 7.561 -2.472 -8.486 1.00 4.92 H new ATOM 0 HA LEU A 66 7.510 -2.675 -11.467 1.00 5.86 H new ATOM 0 HB2 LEU A 66 6.015 -1.029 -10.216 1.00 6.18 H new ATOM 0 HB3 LEU A 66 7.459 -0.224 -9.636 1.00 6.18 H new ATOM 0 HG LEU A 66 8.096 -0.264 -12.260 1.00 7.14 H new ATOM 0 HD11 LEU A 66 6.058 0.121 -13.623 1.00 7.61 H new ATOM 0 HD12 LEU A 66 6.046 -1.505 -12.900 1.00 7.61 H new ATOM 0 HD13 LEU A 66 5.044 -0.213 -12.199 1.00 7.61 H new ATOM 0 HD21 LEU A 66 7.135 2.021 -12.412 1.00 7.67 H new ATOM 0 HD22 LEU A 66 6.124 1.689 -10.985 1.00 7.67 H new ATOM 0 HD23 LEU A 66 7.895 1.751 -10.825 1.00 7.67 H new ATOM 1054 N LYS A 67 9.904 -1.101 -9.771 1.00 6.57 N ATOM 1055 CA LYS A 67 11.365 -0.753 -9.816 1.00 7.47 C ATOM 1056 C LYS A 67 11.637 0.261 -10.939 1.00 7.85 C ATOM 1057 O LYS A 67 10.968 0.273 -11.957 1.00 8.14 O ATOM 1058 CB LYS A 67 12.207 -2.017 -10.046 1.00 7.84 C ATOM 1059 CG LYS A 67 13.407 -2.018 -9.093 1.00 8.78 C ATOM 1060 CD LYS A 67 14.667 -1.581 -9.846 1.00 9.42 C ATOM 1061 CE LYS A 67 15.598 -2.784 -10.035 1.00 10.12 C ATOM 1062 NZ LYS A 67 15.209 -3.533 -11.266 1.00 10.40 N ATOM 0 H LYS A 67 9.404 -0.725 -8.965 1.00 6.57 H new ATOM 0 HA LYS A 67 11.643 -0.309 -8.860 1.00 7.47 H new ATOM 0 HB2 LYS A 67 11.598 -2.906 -9.881 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.551 -2.054 -11.080 1.00 7.84 H new ATOM 0 HG2 LYS A 67 13.220 -1.344 -8.257 1.00 8.78 H new ATOM 0 HG3 LYS A 67 13.550 -3.014 -8.674 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.396 -1.162 -10.815 1.00 9.42 H new ATOM 0 HD3 LYS A 67 15.180 -0.795 -9.291 1.00 9.42 H new ATOM 0 HE2 LYS A 67 16.632 -2.447 -10.114 1.00 10.12 H new ATOM 0 HE3 LYS A 67 15.542 -3.439 -9.166 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 15.843 -4.348 -11.391 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 14.229 -3.867 -11.174 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 15.284 -2.906 -12.092 1.00 10.40 H new ATOM 1076 N ARG A 68 12.624 1.113 -10.750 1.00 8.12 N ATOM 1077 CA ARG A 68 12.972 2.143 -11.785 1.00 8.78 C ATOM 1078 C ARG A 68 11.781 3.087 -12.024 1.00 8.99 C ATOM 1079 O ARG A 68 10.793 3.053 -11.310 1.00 8.81 O ATOM 1080 CB ARG A 68 13.360 1.450 -13.101 1.00 9.33 C ATOM 1081 CG ARG A 68 14.884 1.427 -13.244 1.00 9.61 C ATOM 1082 CD ARG A 68 15.370 2.781 -13.773 1.00 10.05 C ATOM 1083 NE ARG A 68 16.801 2.986 -13.395 1.00 10.53 N ATOM 1084 CZ ARG A 68 17.135 3.147 -12.139 1.00 10.90 C ATOM 1085 NH1 ARG A 68 16.648 4.150 -11.454 1.00 11.02 N ATOM 1086 NH2 ARG A 68 17.958 2.303 -11.571 1.00 11.35 N ATOM 0 H ARG A 68 13.208 1.137 -9.914 1.00 8.12 H new ATOM 0 HA ARG A 68 13.817 2.730 -11.424 1.00 8.78 H new ATOM 0 HB2 ARG A 68 12.969 0.433 -13.116 1.00 9.33 H new ATOM 0 HB3 ARG A 68 12.914 1.976 -13.945 1.00 9.33 H new ATOM 0 HG2 ARG A 68 15.347 1.214 -12.280 1.00 9.61 H new ATOM 0 HG3 ARG A 68 15.184 0.630 -13.925 1.00 9.61 H new ATOM 0 HD2 ARG A 68 15.261 2.819 -14.857 1.00 10.05 H new ATOM 0 HD3 ARG A 68 14.757 3.584 -13.363 1.00 10.05 H new ATOM 0 HE ARG A 68 17.520 3.001 -14.118 1.00 10.53 H new ATOM 0 HH11 ARG A 68 16.007 4.808 -11.898 1.00 11.02 H new ATOM 0 HH12 ARG A 68 16.909 4.274 -10.476 1.00 11.02 H new ATOM 0 HH21 ARG A 68 18.338 1.522 -12.106 1.00 11.35 H new ATOM 0 HH22 ARG A 68 18.220 2.426 -10.593 1.00 11.35 H new ATOM 1100 N ALA A 69 11.874 3.929 -13.025 1.00 9.61 N ATOM 1101 CA ALA A 69 10.763 4.881 -13.327 1.00 10.14 C ATOM 1102 C ALA A 69 10.430 4.822 -14.823 1.00 10.89 C ATOM 1103 O ALA A 69 11.226 4.370 -15.627 1.00 11.20 O ATOM 1104 CB ALA A 69 11.194 6.303 -12.955 1.00 10.08 C ATOM 0 H ALA A 69 12.678 3.997 -13.649 1.00 9.61 H new ATOM 0 HA ALA A 69 9.881 4.605 -12.748 1.00 10.14 H new ATOM 0 HB1 ALA A 69 10.384 6.998 -13.175 1.00 10.08 H new ATOM 0 HB2 ALA A 69 11.430 6.345 -11.892 1.00 10.08 H new ATOM 0 HB3 ALA A 69 12.076 6.579 -13.533 1.00 10.08 H new ATOM 1110 N GLU A 70 9.258 5.273 -15.199 1.00 11.37 N ATOM 1111 CA GLU A 70 8.865 5.243 -16.643 1.00 12.24 C ATOM 1112 C GLU A 70 8.103 6.526 -17.008 1.00 12.45 C ATOM 1113 O GLU A 70 7.613 7.234 -16.147 1.00 12.32 O ATOM 1114 CB GLU A 70 7.979 4.019 -16.912 1.00 12.79 C ATOM 1115 CG GLU A 70 6.801 3.996 -15.930 1.00 12.48 C ATOM 1116 CD GLU A 70 5.646 3.194 -16.536 1.00 13.18 C ATOM 1117 OE1 GLU A 70 5.612 1.990 -16.326 1.00 13.63 O ATOM 1118 OE2 GLU A 70 4.815 3.796 -17.199 1.00 13.39 O ATOM 0 H GLU A 70 8.556 5.661 -14.568 1.00 11.37 H new ATOM 0 HA GLU A 70 9.765 5.179 -17.255 1.00 12.24 H new ATOM 0 HB2 GLU A 70 7.608 4.047 -17.937 1.00 12.79 H new ATOM 0 HB3 GLU A 70 8.566 3.106 -16.810 1.00 12.79 H new ATOM 0 HG2 GLU A 70 7.111 3.550 -14.985 1.00 12.48 H new ATOM 0 HG3 GLU A 70 6.476 5.013 -15.712 1.00 12.48 H new ATOM 1125 N ASN A 71 8.007 6.825 -18.282 1.00 12.96 N ATOM 1126 CA ASN A 71 7.285 8.060 -18.719 1.00 13.39 C ATOM 1127 C ASN A 71 6.154 7.689 -19.687 1.00 13.77 C ATOM 1128 O ASN A 71 6.165 6.633 -20.295 1.00 13.98 O ATOM 1129 CB ASN A 71 8.269 8.999 -19.423 1.00 13.14 C ATOM 1130 CG ASN A 71 9.018 9.832 -18.381 1.00 12.70 C ATOM 1131 OD1 ASN A 71 9.906 9.336 -17.715 1.00 12.77 O ATOM 1132 ND2 ASN A 71 8.696 11.085 -18.207 1.00 12.41 N ATOM 0 H ASN A 71 8.399 6.265 -19.039 1.00 12.96 H new ATOM 0 HA ASN A 71 6.861 8.557 -17.846 1.00 13.39 H new ATOM 0 HB2 ASN A 71 8.976 8.421 -20.018 1.00 13.14 H new ATOM 0 HB3 ASN A 71 7.734 9.654 -20.111 1.00 13.14 H new ATOM 0 HD21 ASN A 71 9.189 11.647 -17.513 1.00 12.41 H new ATOM 0 HD22 ASN A 71 7.951 11.502 -18.765 1.00 12.41 H new ATOM 1139 N SER A 72 5.181 8.557 -19.835 1.00 14.02 N ATOM 1140 CA SER A 72 4.043 8.273 -20.763 1.00 14.59 C ATOM 1141 C SER A 72 4.088 9.243 -21.950 1.00 15.09 C ATOM 1142 O SER A 72 4.230 10.436 -21.719 1.00 15.38 O ATOM 1143 CB SER A 72 2.718 8.437 -20.011 1.00 14.66 C ATOM 1144 OG SER A 72 1.753 7.552 -20.563 1.00 14.60 O ATOM 1145 OXT SER A 72 3.979 8.776 -23.073 1.00 15.30 O ATOM 0 H SER A 72 5.127 9.453 -19.350 1.00 14.02 H new ATOM 0 HA SER A 72 4.125 7.251 -21.134 1.00 14.59 H new ATOM 0 HB2 SER A 72 2.859 8.225 -18.951 1.00 14.66 H new ATOM 0 HB3 SER A 72 2.369 9.467 -20.086 1.00 14.66 H new ATOM 0 HG SER A 72 0.904 7.653 -20.083 1.00 14.60 H new TER 1151 SER A 72