USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 701 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 45 TYR OH : rot 180:sc= -0.0896 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -103:sc= 0.188 (180deg=-2.08!) USER MOD Set 2.1: A 38 THR OG1 : rot -50:sc= 0.974 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -155:sc= 1.3 (180deg=0) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 179:sc= -2.26! (180deg=-1.82!) USER MOD Set 3.2: A 29 HIS : no HD1:sc= -0.201 K(o=-2.5,f=-3.8) USER MOD Set 4.1: A 14 LYS NZ :NH3+ -112:sc= -1.16 (180deg=-4.28!) USER MOD Set 4.2: A 18 ASN : amide:sc= -1.51 K(o=-2.7,f=-3.8!) USER MOD Set 5.1: A 9 SER OG : rot 129:sc= -1.77! USER MOD Set 5.2: A 25 SER OG : rot 166:sc= 0.0428 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= -0.0245 (180deg=-0.542) USER MOD Single : A 11 THR OG1 : rot -84:sc= 1.21 USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -0.191 (180deg=-2.8!) USER MOD Single : A 21 MET CE :methyl 144:sc= -2.45 (180deg=-4.75!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 SER OG : rot -146:sc= -1.47 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0517 (180deg=-0.296) USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= -0.143 (180deg=-0.703) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 69:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 12:sc= -2.04! USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.567 -6.811 -5.979 1.00 0.27 N ATOM 68 CA ASN A 6 -3.893 -7.425 -5.963 1.00 0.24 C ATOM 69 C ASN A 6 -4.965 -6.392 -5.613 1.00 0.24 C ATOM 70 O ASN A 6 -5.071 -5.979 -4.464 1.00 0.25 O ATOM 71 CB ASN A 6 -3.929 -8.566 -4.944 1.00 0.28 C ATOM 72 CG ASN A 6 -2.834 -9.588 -5.179 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.747 -9.491 -4.610 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.114 -10.575 -6.022 1.00 0.87 N ATOM 0 HA ASN A 6 -4.099 -7.819 -6.958 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.829 -8.155 -3.939 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.899 -9.060 -4.991 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.415 -11.291 -6.219 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.028 -10.617 -6.472 1.00 0.87 H new ATOM 81 N PRO A 7 -5.789 -5.965 -6.591 1.00 0.25 N ATOM 82 CA PRO A 7 -6.836 -4.965 -6.346 1.00 0.26 C ATOM 83 C PRO A 7 -7.856 -5.432 -5.314 1.00 0.26 C ATOM 84 O PRO A 7 -8.605 -4.628 -4.766 1.00 0.26 O ATOM 85 CB PRO A 7 -7.503 -4.788 -7.717 1.00 0.28 C ATOM 86 CG PRO A 7 -6.519 -5.319 -8.701 1.00 0.43 C ATOM 87 CD PRO A 7 -5.785 -6.419 -7.991 1.00 0.29 C ATOM 0 HA PRO A 7 -6.422 -4.042 -5.940 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.446 -5.333 -7.770 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.729 -3.740 -7.913 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -7.021 -5.696 -9.592 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.832 -4.538 -9.028 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.287 -7.380 -8.106 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.772 -6.541 -8.373 1.00 0.29 H new ATOM 95 N LYS A 8 -7.894 -6.733 -5.064 1.00 0.30 N ATOM 96 CA LYS A 8 -8.824 -7.293 -4.091 1.00 0.33 C ATOM 97 C LYS A 8 -8.305 -7.110 -2.669 1.00 0.27 C ATOM 98 O LYS A 8 -9.014 -6.608 -1.798 1.00 0.26 O ATOM 99 CB LYS A 8 -9.066 -8.779 -4.372 1.00 0.43 C ATOM 100 CG LYS A 8 -9.539 -9.062 -5.788 1.00 0.77 C ATOM 101 CD LYS A 8 -8.370 -9.188 -6.754 1.00 0.59 C ATOM 102 CE LYS A 8 -8.637 -8.445 -8.053 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.967 -8.783 -8.629 1.00 1.39 N ATOM 0 H LYS A 8 -7.294 -7.420 -5.520 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.768 -6.757 -4.185 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -8.143 -9.330 -4.189 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.807 -9.157 -3.668 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -10.123 -9.982 -5.800 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -10.200 -8.261 -6.118 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.467 -8.794 -6.287 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.185 -10.241 -6.967 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -8.583 -7.371 -7.874 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.858 -8.687 -8.775 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.936 -8.671 -9.662 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -10.207 -9.767 -8.394 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -10.689 -8.147 -8.233 1.00 1.39 H new ATOM 117 N SER A 9 -7.063 -7.522 -2.445 1.00 0.26 N ATOM 118 CA SER A 9 -6.446 -7.420 -1.129 1.00 0.26 C ATOM 119 C SER A 9 -6.015 -5.993 -0.820 1.00 0.19 C ATOM 120 O SER A 9 -6.233 -5.495 0.285 1.00 0.23 O ATOM 121 CB SER A 9 -5.242 -8.359 -1.044 1.00 0.33 C ATOM 122 OG SER A 9 -4.788 -8.494 0.289 1.00 0.71 O ATOM 0 H SER A 9 -6.462 -7.931 -3.160 1.00 0.26 H new ATOM 0 HA SER A 9 -7.190 -7.711 -0.388 1.00 0.26 H new ATOM 0 HB2 SER A 9 -5.513 -9.338 -1.439 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.435 -7.976 -1.668 1.00 0.33 H new ATOM 0 HG SER A 9 -4.708 -9.445 0.512 1.00 0.71 H new ATOM 128 N LEU A 10 -5.400 -5.345 -1.798 1.00 0.15 N ATOM 129 CA LEU A 10 -4.938 -3.973 -1.631 1.00 0.20 C ATOM 130 C LEU A 10 -6.091 -3.037 -1.317 1.00 0.19 C ATOM 131 O LEU A 10 -5.877 -1.889 -0.940 1.00 0.27 O ATOM 132 CB LEU A 10 -4.237 -3.480 -2.896 1.00 0.24 C ATOM 133 CG LEU A 10 -2.998 -4.272 -3.316 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.385 -3.668 -4.567 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.980 -4.307 -2.191 1.00 0.50 C ATOM 0 H LEU A 10 -5.209 -5.746 -2.716 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.237 -3.971 -0.796 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.953 -3.498 -3.717 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.948 -2.439 -2.748 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.301 -5.296 -3.536 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.504 -4.242 -4.854 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.114 -3.692 -5.377 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.097 -2.636 -4.369 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.106 -4.875 -2.509 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.680 -3.290 -1.940 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.422 -4.782 -1.315 1.00 0.50 H new ATOM 147 N THR A 11 -7.314 -3.520 -1.471 1.00 0.14 N ATOM 148 CA THR A 11 -8.473 -2.681 -1.216 1.00 0.18 C ATOM 149 C THR A 11 -9.414 -3.320 -0.204 1.00 0.15 C ATOM 150 O THR A 11 -10.608 -3.023 -0.170 1.00 0.18 O ATOM 151 CB THR A 11 -9.215 -2.372 -2.526 1.00 0.25 C ATOM 152 OG1 THR A 11 -9.975 -3.513 -2.944 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.217 -1.988 -3.615 1.00 0.35 C ATOM 0 H THR A 11 -7.528 -4.473 -1.766 1.00 0.14 H new ATOM 0 HA THR A 11 -8.116 -1.744 -0.789 1.00 0.18 H new ATOM 0 HB THR A 11 -9.894 -1.537 -2.355 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.396 -4.128 -3.440 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.753 -1.771 -4.539 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.660 -1.105 -3.303 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.525 -2.814 -3.782 1.00 0.35 H new ATOM 161 N ASP A 12 -8.858 -4.203 0.619 1.00 0.11 N ATOM 162 CA ASP A 12 -9.618 -4.874 1.655 1.00 0.12 C ATOM 163 C ASP A 12 -9.158 -4.343 3.005 1.00 0.11 C ATOM 164 O ASP A 12 -8.007 -4.556 3.386 1.00 0.10 O ATOM 165 CB ASP A 12 -9.411 -6.386 1.581 1.00 0.14 C ATOM 166 CG ASP A 12 -10.447 -7.150 2.381 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.426 -7.055 3.626 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.278 -7.846 1.762 1.00 0.57 O ATOM 0 H ASP A 12 -7.874 -4.469 0.583 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.681 -4.678 1.518 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.452 -6.705 0.540 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.416 -6.632 1.951 1.00 0.14 H new ATOM 173 N PRO A 13 -10.035 -3.643 3.752 1.00 0.11 N ATOM 174 CA PRO A 13 -9.673 -3.065 5.044 1.00 0.11 C ATOM 175 C PRO A 13 -8.871 -4.007 5.935 1.00 0.12 C ATOM 176 O PRO A 13 -8.209 -3.563 6.870 1.00 0.13 O ATOM 177 CB PRO A 13 -11.026 -2.756 5.673 1.00 0.12 C ATOM 178 CG PRO A 13 -11.884 -2.419 4.510 1.00 0.12 C ATOM 179 CD PRO A 13 -11.439 -3.338 3.400 1.00 0.11 C ATOM 0 HA PRO A 13 -9.022 -2.199 4.923 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.416 -3.611 6.224 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.961 -1.926 6.377 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.938 -2.568 4.744 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.766 -1.374 4.225 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.048 -4.241 3.357 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.514 -2.856 2.425 1.00 0.11 H new ATOM 187 N LYS A 14 -8.934 -5.306 5.657 1.00 0.13 N ATOM 188 CA LYS A 14 -8.190 -6.275 6.452 1.00 0.15 C ATOM 189 C LYS A 14 -6.697 -5.978 6.351 1.00 0.13 C ATOM 190 O LYS A 14 -6.011 -5.828 7.362 1.00 0.16 O ATOM 191 CB LYS A 14 -8.485 -7.701 5.981 1.00 0.18 C ATOM 192 CG LYS A 14 -8.487 -8.730 7.104 1.00 0.34 C ATOM 193 CD LYS A 14 -7.156 -8.771 7.841 1.00 0.60 C ATOM 194 CE LYS A 14 -6.027 -9.218 6.929 1.00 0.54 C ATOM 195 NZ LYS A 14 -4.741 -9.352 7.661 1.00 1.37 N ATOM 0 H LYS A 14 -9.485 -5.707 4.898 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.502 -6.193 7.493 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.455 -7.717 5.485 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.742 -7.989 5.238 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.285 -8.496 7.809 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.704 -9.716 6.692 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.931 -7.783 8.243 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -7.230 -9.451 8.690 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -6.286 -10.174 6.473 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.910 -8.499 6.118 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -4.079 -8.618 7.337 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -4.909 -9.241 8.681 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -4.333 -10.291 7.477 1.00 1.37 H new ATOM 209 N LEU A 15 -6.208 -5.890 5.118 1.00 0.09 N ATOM 210 CA LEU A 15 -4.806 -5.589 4.860 1.00 0.08 C ATOM 211 C LEU A 15 -4.525 -4.120 5.107 1.00 0.08 C ATOM 212 O LEU A 15 -3.504 -3.753 5.676 1.00 0.09 O ATOM 213 CB LEU A 15 -4.449 -5.912 3.408 1.00 0.08 C ATOM 214 CG LEU A 15 -4.441 -7.392 3.036 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.496 -8.145 3.948 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.843 -7.977 3.103 1.00 0.12 C ATOM 0 H LEU A 15 -6.768 -6.024 4.276 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.205 -6.199 5.534 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.156 -5.398 2.757 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.463 -5.499 3.196 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.091 -7.493 2.009 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.494 -9.201 3.678 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.489 -7.742 3.842 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.823 -8.035 4.982 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.810 -9.033 2.833 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.233 -7.873 4.116 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.493 -7.445 2.408 1.00 0.12 H new ATOM 228 N LEU A 16 -5.444 -3.289 4.655 1.00 0.10 N ATOM 229 CA LEU A 16 -5.316 -1.850 4.789 1.00 0.12 C ATOM 230 C LEU A 16 -5.064 -1.446 6.240 1.00 0.16 C ATOM 231 O LEU A 16 -4.223 -0.589 6.515 1.00 0.27 O ATOM 232 CB LEU A 16 -6.574 -1.191 4.234 1.00 0.10 C ATOM 233 CG LEU A 16 -6.969 -1.684 2.845 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.351 -1.179 2.462 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.928 -1.246 1.826 1.00 0.18 C ATOM 0 H LEU A 16 -6.298 -3.591 4.186 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.452 -1.509 4.219 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.400 -1.372 4.921 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.421 -0.112 4.196 1.00 0.10 H new ATOM 0 HG LEU A 16 -7.009 -2.773 2.858 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.609 -1.544 1.468 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.084 -1.541 3.183 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.352 -0.089 2.460 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.216 -1.601 0.836 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.863 -0.158 1.817 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.958 -1.665 2.094 1.00 0.18 H new ATOM 247 N LYS A 17 -5.794 -2.061 7.164 1.00 0.14 N ATOM 248 CA LYS A 17 -5.616 -1.778 8.582 1.00 0.17 C ATOM 249 C LYS A 17 -4.383 -2.513 9.093 1.00 0.18 C ATOM 250 O LYS A 17 -3.794 -2.147 10.110 1.00 0.22 O ATOM 251 CB LYS A 17 -6.853 -2.202 9.372 1.00 0.19 C ATOM 252 CG LYS A 17 -8.114 -1.477 8.949 1.00 0.20 C ATOM 253 CD LYS A 17 -9.346 -2.105 9.573 1.00 0.24 C ATOM 254 CE LYS A 17 -10.602 -1.344 9.200 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.825 -1.970 9.772 1.00 0.88 N ATOM 0 H LYS A 17 -6.512 -2.756 6.957 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.478 -0.705 8.718 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.002 -3.275 9.252 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.677 -2.022 10.433 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.049 -0.429 9.242 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.202 -1.500 7.863 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.435 -3.140 9.244 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.238 -2.123 10.657 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.522 -0.316 9.554 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.691 -1.301 8.114 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.467 -2.244 9.002 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.560 -2.814 10.319 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -12.304 -1.290 10.396 1.00 0.88 H new ATOM 269 N ASN A 18 -4.006 -3.557 8.361 1.00 0.14 N ATOM 270 CA ASN A 18 -2.838 -4.361 8.686 1.00 0.15 C ATOM 271 C ASN A 18 -1.772 -4.129 7.622 1.00 0.13 C ATOM 272 O ASN A 18 -1.363 -5.061 6.938 1.00 0.11 O ATOM 273 CB ASN A 18 -3.214 -5.849 8.728 1.00 0.16 C ATOM 274 CG ASN A 18 -2.609 -6.579 9.910 1.00 0.24 C ATOM 275 OD1 ASN A 18 -2.310 -5.979 10.942 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.436 -7.889 9.764 1.00 0.53 N ATOM 0 H ASN A 18 -4.503 -3.867 7.526 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.457 -4.072 9.665 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.299 -5.943 8.767 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.885 -6.327 7.805 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -2.041 -8.439 10.526 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.699 -8.344 8.890 1.00 0.53 H new ATOM 283 N ILE A 19 -1.345 -2.871 7.482 1.00 0.13 N ATOM 284 CA ILE A 19 -0.340 -2.496 6.485 1.00 0.12 C ATOM 285 C ILE A 19 0.719 -3.585 6.298 1.00 0.10 C ATOM 286 O ILE A 19 0.997 -3.976 5.167 1.00 0.09 O ATOM 287 CB ILE A 19 0.337 -1.147 6.829 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.615 0.024 6.540 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.642 -0.967 6.055 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.029 0.143 5.081 1.00 0.49 C ATOM 0 H ILE A 19 -1.681 -2.093 8.049 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.875 -2.380 5.542 1.00 0.12 H new ATOM 0 HB ILE A 19 0.572 -1.157 7.893 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.510 -0.090 7.152 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.135 0.953 6.847 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.093 -0.010 6.319 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.330 -1.774 6.308 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.436 -0.988 4.985 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.700 0.993 4.961 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.144 0.290 4.462 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.540 -0.769 4.772 1.00 0.49 H new ATOM 302 N PRO A 20 1.353 -4.076 7.383 1.00 0.12 N ATOM 303 CA PRO A 20 2.350 -5.144 7.273 1.00 0.12 C ATOM 304 C PRO A 20 1.837 -6.272 6.390 1.00 0.11 C ATOM 305 O PRO A 20 2.520 -6.744 5.482 1.00 0.14 O ATOM 306 CB PRO A 20 2.488 -5.627 8.712 1.00 0.14 C ATOM 307 CG PRO A 20 2.230 -4.410 9.527 1.00 0.15 C ATOM 308 CD PRO A 20 1.177 -3.633 8.782 1.00 0.14 C ATOM 0 HA PRO A 20 3.288 -4.811 6.829 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.772 -6.418 8.938 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.482 -6.032 8.903 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.886 -4.675 10.527 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.139 -3.820 9.648 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.176 -3.856 9.152 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.323 -2.558 8.885 1.00 0.14 H new ATOM 316 N MET A 21 0.613 -6.685 6.684 1.00 0.10 N ATOM 317 CA MET A 21 -0.065 -7.733 5.939 1.00 0.10 C ATOM 318 C MET A 21 -0.354 -7.249 4.518 1.00 0.08 C ATOM 319 O MET A 21 -0.230 -8.000 3.554 1.00 0.10 O ATOM 320 CB MET A 21 -1.360 -8.084 6.666 1.00 0.13 C ATOM 321 CG MET A 21 -1.766 -9.541 6.557 1.00 0.25 C ATOM 322 SD MET A 21 -1.515 -10.451 8.095 1.00 0.94 S ATOM 323 CE MET A 21 0.262 -10.333 8.291 1.00 0.54 C ATOM 0 H MET A 21 0.060 -6.300 7.450 1.00 0.10 H new ATOM 0 HA MET A 21 0.563 -8.621 5.874 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.251 -7.828 7.720 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.164 -7.465 6.269 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.816 -9.601 6.272 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.192 -10.015 5.761 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.506 -10.236 9.349 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.733 -11.231 7.891 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.630 -9.460 7.753 1.00 0.54 H new ATOM 333 N TRP A 22 -0.771 -5.991 4.407 1.00 0.06 N ATOM 334 CA TRP A 22 -1.037 -5.377 3.118 1.00 0.06 C ATOM 335 C TRP A 22 0.186 -5.518 2.223 1.00 0.06 C ATOM 336 O TRP A 22 0.076 -5.710 1.013 1.00 0.08 O ATOM 337 CB TRP A 22 -1.389 -3.901 3.328 1.00 0.07 C ATOM 338 CG TRP A 22 -1.777 -3.182 2.077 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.992 -3.210 1.456 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.943 -2.319 1.299 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.965 -2.419 0.335 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.717 -1.865 0.213 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.384 -1.887 1.412 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.211 -1.006 -0.755 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.884 -1.030 0.446 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.090 -0.600 -0.624 1.00 0.11 C ATOM 0 H TRP A 22 -0.932 -5.376 5.204 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.877 -5.874 2.633 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.209 -3.832 4.043 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.533 -3.395 3.775 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.849 -3.772 1.797 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.746 -2.268 -0.303 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.003 -2.215 2.234 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.822 -0.671 -1.580 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.905 -0.687 0.519 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.513 0.066 -1.362 1.00 0.11 H new ATOM 357 N LEU A 23 1.353 -5.420 2.847 1.00 0.06 N ATOM 358 CA LEU A 23 2.619 -5.558 2.155 1.00 0.08 C ATOM 359 C LEU A 23 2.905 -7.026 1.855 1.00 0.10 C ATOM 360 O LEU A 23 3.646 -7.343 0.927 1.00 0.13 O ATOM 361 CB LEU A 23 3.735 -4.976 3.015 1.00 0.09 C ATOM 362 CG LEU A 23 3.744 -3.451 3.122 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.754 -2.993 4.162 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.048 -2.824 1.771 1.00 0.10 C ATOM 0 H LEU A 23 1.444 -5.243 3.847 1.00 0.06 H new ATOM 0 HA LEU A 23 2.567 -5.016 1.211 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.655 -5.395 4.018 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.693 -5.302 2.609 1.00 0.09 H new ATOM 0 HG LEU A 23 2.754 -3.124 3.439 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.745 -1.905 4.223 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.492 -3.413 5.133 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.750 -3.332 3.876 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.050 -1.738 1.866 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.026 -3.160 1.426 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.286 -3.124 1.051 1.00 0.10 H new ATOM 376 N LYS A 24 2.327 -7.917 2.664 1.00 0.10 N ATOM 377 CA LYS A 24 2.497 -9.344 2.476 1.00 0.13 C ATOM 378 C LYS A 24 2.098 -9.742 1.063 1.00 0.13 C ATOM 379 O LYS A 24 2.818 -10.469 0.377 1.00 0.16 O ATOM 380 CB LYS A 24 1.646 -10.103 3.473 1.00 0.17 C ATOM 381 CG LYS A 24 2.434 -11.141 4.225 1.00 0.51 C ATOM 382 CD LYS A 24 2.348 -10.903 5.710 1.00 1.24 C ATOM 383 CE LYS A 24 3.386 -9.903 6.181 1.00 2.30 C ATOM 384 NZ LYS A 24 4.731 -10.526 6.318 1.00 3.29 N ATOM 0 H LYS A 24 1.736 -7.665 3.456 1.00 0.10 H new ATOM 0 HA LYS A 24 3.547 -9.591 2.633 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.207 -9.400 4.181 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.821 -10.586 2.949 1.00 0.17 H new ATOM 0 HG2 LYS A 24 2.054 -12.135 3.988 1.00 0.51 H new ATOM 0 HG3 LYS A 24 3.476 -11.114 3.907 1.00 0.51 H new ATOM 0 HD2 LYS A 24 1.352 -10.539 5.963 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.486 -11.847 6.238 1.00 1.24 H new ATOM 0 HE2 LYS A 24 3.439 -9.074 5.475 1.00 2.30 H new ATOM 0 HE3 LYS A 24 3.079 -9.485 7.140 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 5.417 -9.807 6.626 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.690 -11.289 7.023 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 5.027 -10.917 5.401 1.00 3.29 H new ATOM 398 N SER A 25 0.935 -9.255 0.639 1.00 0.13 N ATOM 399 CA SER A 25 0.421 -9.536 -0.695 1.00 0.15 C ATOM 400 C SER A 25 1.274 -8.841 -1.754 1.00 0.14 C ATOM 401 O SER A 25 1.116 -9.081 -2.951 1.00 0.20 O ATOM 402 CB SER A 25 -1.044 -9.094 -0.811 1.00 0.20 C ATOM 403 OG SER A 25 -1.893 -9.960 -0.077 1.00 0.96 O ATOM 0 H SER A 25 0.329 -8.661 1.205 1.00 0.13 H new ATOM 0 HA SER A 25 0.471 -10.612 -0.863 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.151 -8.074 -0.441 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.344 -9.086 -1.859 1.00 0.20 H new ATOM 0 HG SER A 25 -2.773 -9.542 0.031 1.00 0.96 H new ATOM 409 N LEU A 26 2.179 -7.981 -1.296 1.00 0.12 N ATOM 410 CA LEU A 26 3.074 -7.251 -2.183 1.00 0.13 C ATOM 411 C LEU A 26 4.513 -7.647 -1.894 1.00 0.16 C ATOM 412 O LEU A 26 5.444 -7.011 -2.377 1.00 0.28 O ATOM 413 CB LEU A 26 2.915 -5.744 -1.984 1.00 0.14 C ATOM 414 CG LEU A 26 1.477 -5.235 -2.002 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.426 -3.765 -1.607 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.857 -5.447 -3.375 1.00 0.66 C ATOM 0 H LEU A 26 2.311 -7.773 -0.306 1.00 0.12 H new ATOM 0 HA LEU A 26 2.821 -7.500 -3.214 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.369 -5.469 -1.032 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.476 -5.229 -2.764 1.00 0.14 H new ATOM 0 HG LEU A 26 0.898 -5.803 -1.274 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.393 -3.419 -1.625 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.831 -3.644 -0.602 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.017 -3.179 -2.310 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.169 -5.079 -3.372 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.435 -4.904 -4.123 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.860 -6.510 -3.615 1.00 0.66 H new ATOM 428 N ARG A 27 4.659 -8.692 -1.074 1.00 0.15 N ATOM 429 CA ARG A 27 5.952 -9.227 -0.652 1.00 0.21 C ATOM 430 C ARG A 27 6.852 -8.145 -0.054 1.00 0.21 C ATOM 431 O ARG A 27 8.008 -8.407 0.278 1.00 0.35 O ATOM 432 CB ARG A 27 6.657 -9.910 -1.816 1.00 0.31 C ATOM 433 CG ARG A 27 7.467 -8.952 -2.647 1.00 1.11 C ATOM 434 CD ARG A 27 7.439 -9.329 -4.109 1.00 2.02 C ATOM 435 NE ARG A 27 8.166 -8.373 -4.939 1.00 2.71 N ATOM 436 CZ ARG A 27 8.464 -8.583 -6.218 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.101 -9.713 -6.809 1.00 3.89 N ATOM 438 NH2 ARG A 27 9.126 -7.663 -6.906 1.00 4.34 N ATOM 0 H ARG A 27 3.866 -9.197 -0.679 1.00 0.15 H new ATOM 0 HA ARG A 27 5.755 -9.963 0.128 1.00 0.21 H new ATOM 0 HB2 ARG A 27 7.310 -10.693 -1.431 1.00 0.31 H new ATOM 0 HB3 ARG A 27 5.915 -10.397 -2.449 1.00 0.31 H new ATOM 0 HG2 ARG A 27 7.077 -7.942 -2.523 1.00 1.11 H new ATOM 0 HG3 ARG A 27 8.498 -8.942 -2.292 1.00 1.11 H new ATOM 0 HD2 ARG A 27 7.873 -10.321 -4.235 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.405 -9.388 -4.447 1.00 2.02 H new ATOM 0 HE ARG A 27 8.462 -7.494 -4.514 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.592 -10.423 -6.283 1.00 3.89 H new ATOM 0 HH12 ARG A 27 8.331 -9.872 -7.790 1.00 3.89 H new ATOM 0 HH21 ARG A 27 9.407 -6.793 -6.454 1.00 4.34 H new ATOM 0 HH22 ARG A 27 9.354 -7.825 -7.887 1.00 4.34 H new ATOM 452 N LEU A 28 6.320 -6.936 0.090 1.00 0.14 N ATOM 453 CA LEU A 28 7.087 -5.830 0.644 1.00 0.14 C ATOM 454 C LEU A 28 6.949 -5.788 2.155 1.00 0.13 C ATOM 455 O LEU A 28 7.180 -4.750 2.775 1.00 0.13 O ATOM 456 CB LEU A 28 6.630 -4.502 0.038 1.00 0.16 C ATOM 457 CG LEU A 28 6.862 -4.376 -1.466 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.761 -3.552 -2.107 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.229 -3.769 -1.749 1.00 0.67 C ATOM 0 H LEU A 28 5.362 -6.699 -0.169 1.00 0.14 H new ATOM 0 HA LEU A 28 8.136 -5.986 0.394 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.567 -4.372 0.240 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.152 -3.689 0.542 1.00 0.16 H new ATOM 0 HG LEU A 28 6.838 -5.374 -1.903 1.00 0.21 H new ATOM 0 HD11 LEU A 28 5.943 -3.473 -3.179 1.00 0.67 H new ATOM 0 HD12 LEU A 28 4.799 -4.035 -1.937 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.749 -2.555 -1.666 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.375 -3.688 -2.826 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.287 -2.778 -1.299 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.005 -4.406 -1.325 1.00 0.67 H new ATOM 471 N HIS A 29 6.539 -6.910 2.749 1.00 0.13 N ATOM 472 CA HIS A 29 6.435 -6.985 4.198 1.00 0.13 C ATOM 473 C HIS A 29 7.821 -6.741 4.760 1.00 0.12 C ATOM 474 O HIS A 29 8.013 -6.507 5.951 1.00 0.13 O ATOM 475 CB HIS A 29 5.911 -8.344 4.647 1.00 0.14 C ATOM 476 CG HIS A 29 6.710 -9.499 4.126 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.546 -10.017 2.857 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.682 -10.240 4.710 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.382 -11.026 2.686 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.082 -11.181 3.794 1.00 0.24 N ATOM 0 H HIS A 29 6.279 -7.763 2.255 1.00 0.13 H new ATOM 0 HA HIS A 29 5.729 -6.238 4.562 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.905 -8.380 5.736 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.877 -8.451 4.319 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.070 -10.114 5.710 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.476 -11.623 1.791 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.804 -11.886 3.945 1.00 0.24 H new ATOM 489 N LYS A 30 8.781 -6.839 3.853 1.00 0.12 N ATOM 490 CA LYS A 30 10.177 -6.591 4.145 1.00 0.12 C ATOM 491 C LYS A 30 10.316 -5.192 4.718 1.00 0.11 C ATOM 492 O LYS A 30 11.178 -4.914 5.553 1.00 0.17 O ATOM 493 CB LYS A 30 10.984 -6.712 2.848 1.00 0.15 C ATOM 494 CG LYS A 30 10.256 -6.195 1.621 1.00 0.28 C ATOM 495 CD LYS A 30 11.154 -6.202 0.398 1.00 0.59 C ATOM 496 CE LYS A 30 10.373 -6.499 -0.868 1.00 0.65 C ATOM 497 NZ LYS A 30 11.250 -7.009 -1.958 1.00 0.72 N ATOM 0 H LYS A 30 8.606 -7.097 2.882 1.00 0.12 H new ATOM 0 HA LYS A 30 10.551 -7.315 4.869 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.920 -6.164 2.961 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.245 -7.759 2.690 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.377 -6.811 1.432 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.901 -5.181 1.807 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.647 -5.235 0.303 1.00 0.59 H new ATOM 0 HD3 LYS A 30 11.938 -6.949 0.526 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.598 -7.235 -0.652 1.00 0.65 H new ATOM 0 HE3 LYS A 30 9.868 -5.593 -1.203 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.677 -7.199 -2.805 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.974 -6.297 -2.183 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 11.713 -7.888 -1.649 1.00 0.72 H new ATOM 511 N TYR A 31 9.438 -4.324 4.241 1.00 0.10 N ATOM 512 CA TYR A 31 9.386 -2.935 4.657 1.00 0.10 C ATOM 513 C TYR A 31 8.143 -2.681 5.492 1.00 0.11 C ATOM 514 O TYR A 31 7.617 -1.569 5.526 1.00 0.16 O ATOM 515 CB TYR A 31 9.389 -2.044 3.424 1.00 0.12 C ATOM 516 CG TYR A 31 10.649 -2.180 2.609 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.900 -1.973 3.179 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.586 -2.540 1.275 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.054 -2.115 2.434 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.735 -2.687 0.522 1.00 0.20 C ATOM 521 CZ TYR A 31 12.967 -2.473 1.105 1.00 0.23 C ATOM 522 OH TYR A 31 14.113 -2.621 0.360 1.00 0.28 O ATOM 0 H TYR A 31 8.733 -4.569 3.545 1.00 0.10 H new ATOM 0 HA TYR A 31 10.259 -2.707 5.269 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.530 -2.291 2.800 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.271 -1.005 3.732 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.970 -1.697 4.221 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.624 -2.709 0.815 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.019 -1.947 2.889 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.669 -2.968 -0.519 1.00 0.20 H new ATOM 0 HH TYR A 31 13.905 -3.100 -0.469 1.00 0.28 H new ATOM 532 N SER A 32 7.677 -3.727 6.164 1.00 0.10 N ATOM 533 CA SER A 32 6.494 -3.630 7.000 1.00 0.12 C ATOM 534 C SER A 32 6.734 -2.679 8.154 1.00 0.13 C ATOM 535 O SER A 32 5.942 -1.782 8.395 1.00 0.16 O ATOM 536 CB SER A 32 6.103 -5.005 7.536 1.00 0.13 C ATOM 537 OG SER A 32 5.314 -4.887 8.705 1.00 1.30 O ATOM 0 H SER A 32 8.104 -4.653 6.144 1.00 0.10 H new ATOM 0 HA SER A 32 5.678 -3.244 6.389 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.550 -5.553 6.773 1.00 0.13 H new ATOM 0 HB3 SER A 32 7.001 -5.583 7.755 1.00 0.13 H new ATOM 0 HG SER A 32 5.512 -5.632 9.310 1.00 1.30 H new ATOM 543 N ASP A 33 7.831 -2.887 8.863 1.00 0.12 N ATOM 544 CA ASP A 33 8.177 -2.039 9.998 1.00 0.14 C ATOM 545 C ASP A 33 8.252 -0.572 9.585 1.00 0.14 C ATOM 546 O ASP A 33 7.806 0.316 10.312 1.00 0.20 O ATOM 547 CB ASP A 33 9.517 -2.473 10.586 1.00 0.17 C ATOM 548 CG ASP A 33 9.763 -1.885 11.963 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.349 -2.514 12.960 1.00 1.00 O ATOM 550 OD2 ASP A 33 10.370 -0.796 12.043 1.00 2.21 O ATOM 0 H ASP A 33 8.499 -3.635 8.675 1.00 0.12 H new ATOM 0 HA ASP A 33 7.395 -2.147 10.750 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.548 -3.561 10.648 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.320 -2.169 9.915 1.00 0.17 H new ATOM 555 N ALA A 34 8.825 -0.334 8.412 1.00 0.12 N ATOM 556 CA ALA A 34 8.984 1.020 7.885 1.00 0.13 C ATOM 557 C ALA A 34 7.673 1.608 7.372 1.00 0.12 C ATOM 558 O ALA A 34 7.457 2.817 7.444 1.00 0.15 O ATOM 559 CB ALA A 34 10.023 1.023 6.776 1.00 0.15 C ATOM 0 H ALA A 34 9.190 -1.065 7.802 1.00 0.12 H new ATOM 0 HA ALA A 34 9.317 1.650 8.710 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.137 2.035 6.387 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.978 0.676 7.171 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.700 0.360 5.973 1.00 0.15 H new ATOM 565 N LEU A 35 6.799 0.751 6.867 1.00 0.10 N ATOM 566 CA LEU A 35 5.527 1.199 6.312 1.00 0.09 C ATOM 567 C LEU A 35 4.357 0.983 7.274 1.00 0.09 C ATOM 568 O LEU A 35 3.252 1.464 7.026 1.00 0.12 O ATOM 569 CB LEU A 35 5.264 0.455 4.997 1.00 0.09 C ATOM 570 CG LEU A 35 5.880 1.068 3.727 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.997 2.067 4.042 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.386 -0.035 2.795 1.00 0.14 C ATOM 0 H LEU A 35 6.945 -0.258 6.829 1.00 0.10 H new ATOM 0 HA LEU A 35 5.601 2.272 6.137 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.638 -0.564 5.100 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.186 0.385 4.854 1.00 0.09 H new ATOM 0 HG LEU A 35 5.091 1.626 3.223 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.398 2.470 3.112 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.598 2.880 4.648 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.792 1.563 4.591 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.819 0.414 1.901 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.145 -0.625 3.308 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.555 -0.681 2.511 1.00 0.14 H new ATOM 584 N SER A 36 4.603 0.284 8.376 1.00 0.10 N ATOM 585 CA SER A 36 3.547 -0.003 9.346 1.00 0.10 C ATOM 586 C SER A 36 3.090 1.262 10.057 1.00 0.10 C ATOM 587 O SER A 36 1.891 1.495 10.216 1.00 0.11 O ATOM 588 CB SER A 36 4.022 -1.027 10.378 1.00 0.13 C ATOM 589 OG SER A 36 3.015 -1.285 11.342 1.00 0.95 O ATOM 0 H SER A 36 5.518 -0.094 8.621 1.00 0.10 H new ATOM 0 HA SER A 36 2.703 -0.416 8.794 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.295 -1.955 9.875 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.919 -0.658 10.875 1.00 0.13 H new ATOM 0 HG SER A 36 3.343 -1.944 11.989 1.00 0.95 H new ATOM 595 N GLY A 37 4.051 2.073 10.493 1.00 0.12 N ATOM 596 CA GLY A 37 3.722 3.309 11.179 1.00 0.13 C ATOM 597 C GLY A 37 2.822 4.198 10.347 1.00 0.12 C ATOM 598 O GLY A 37 2.271 5.180 10.845 1.00 0.15 O ATOM 0 H GLY A 37 5.049 1.896 10.383 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.231 3.079 12.124 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.640 3.846 11.419 1.00 0.13 H new ATOM 602 N THR A 38 2.672 3.846 9.075 1.00 0.08 N ATOM 603 CA THR A 38 1.838 4.607 8.161 1.00 0.08 C ATOM 604 C THR A 38 0.646 3.775 7.681 1.00 0.07 C ATOM 605 O THR A 38 0.827 2.675 7.168 1.00 0.08 O ATOM 606 CB THR A 38 2.648 5.069 6.936 1.00 0.09 C ATOM 607 OG1 THR A 38 3.848 5.719 7.366 1.00 0.11 O ATOM 608 CG2 THR A 38 1.832 6.023 6.081 1.00 0.11 C ATOM 0 H THR A 38 3.122 3.033 8.654 1.00 0.08 H new ATOM 0 HA THR A 38 1.473 5.478 8.706 1.00 0.08 H new ATOM 0 HB THR A 38 2.900 4.193 6.339 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.630 6.397 8.039 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.423 6.337 5.221 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.928 5.520 5.736 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.558 6.897 6.672 1.00 0.11 H new ATOM 616 N PRO A 39 -0.592 4.288 7.848 1.00 0.07 N ATOM 617 CA PRO A 39 -1.816 3.590 7.417 1.00 0.08 C ATOM 618 C PRO A 39 -1.879 3.455 5.909 1.00 0.07 C ATOM 619 O PRO A 39 -0.967 3.890 5.216 1.00 0.07 O ATOM 620 CB PRO A 39 -2.935 4.515 7.895 1.00 0.09 C ATOM 621 CG PRO A 39 -2.288 5.848 7.931 1.00 0.09 C ATOM 622 CD PRO A 39 -0.911 5.587 8.457 1.00 0.09 C ATOM 0 HA PRO A 39 -1.874 2.577 7.816 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.787 4.500 7.215 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.306 4.222 8.877 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.254 6.299 6.939 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.834 6.536 8.576 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.206 6.362 8.157 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.892 5.543 9.546 1.00 0.09 H new ATOM 630 N TRP A 40 -2.950 2.855 5.396 1.00 0.07 N ATOM 631 CA TRP A 40 -3.094 2.709 3.955 1.00 0.07 C ATOM 632 C TRP A 40 -3.413 4.051 3.322 1.00 0.07 C ATOM 633 O TRP A 40 -2.752 4.461 2.378 1.00 0.07 O ATOM 634 CB TRP A 40 -4.178 1.691 3.586 1.00 0.08 C ATOM 635 CG TRP A 40 -5.580 2.138 3.894 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.213 2.101 5.103 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.526 2.688 2.965 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.497 2.581 4.978 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.709 2.953 3.679 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.488 2.981 1.600 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.840 3.496 3.074 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.609 3.521 1.001 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.772 3.774 1.737 1.00 0.21 C ATOM 0 H TRP A 40 -3.717 2.469 5.947 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.144 2.338 3.570 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.105 1.471 2.521 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.981 0.760 4.118 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.771 1.747 6.023 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.180 2.648 5.732 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.596 2.788 1.022 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.739 3.690 3.641 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.588 3.752 -0.054 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.632 4.197 1.239 1.00 0.21 H new ATOM 654 N ILE A 41 -4.406 4.745 3.872 1.00 0.08 N ATOM 655 CA ILE A 41 -4.816 6.037 3.344 1.00 0.09 C ATOM 656 C ILE A 41 -3.617 6.958 3.168 1.00 0.07 C ATOM 657 O ILE A 41 -3.642 7.879 2.352 1.00 0.08 O ATOM 658 CB ILE A 41 -5.855 6.724 4.254 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.687 7.721 3.443 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.174 7.424 5.428 1.00 0.12 C ATOM 661 CD1 ILE A 41 -7.870 7.087 2.743 1.00 0.45 C ATOM 0 H ILE A 41 -4.940 4.432 4.683 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.275 5.849 2.373 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.518 5.959 4.658 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -7.046 8.508 4.106 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.047 8.197 2.700 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.928 7.901 6.054 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.622 6.692 6.018 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.485 8.180 5.051 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.415 7.850 2.187 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -7.517 6.319 2.055 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.531 6.635 3.483 1.00 0.45 H new ATOM 673 N GLU A 42 -2.567 6.702 3.941 1.00 0.07 N ATOM 674 CA GLU A 42 -1.355 7.500 3.860 1.00 0.06 C ATOM 675 C GLU A 42 -0.328 6.779 3.000 1.00 0.06 C ATOM 676 O GLU A 42 0.419 7.401 2.246 1.00 0.07 O ATOM 677 CB GLU A 42 -0.793 7.776 5.254 1.00 0.07 C ATOM 678 CG GLU A 42 -1.638 8.739 6.071 1.00 0.09 C ATOM 679 CD GLU A 42 -1.771 10.099 5.414 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.900 10.962 5.652 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.746 10.301 4.659 1.00 2.15 O ATOM 0 H GLU A 42 -2.533 5.949 4.628 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.593 8.460 3.401 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.706 6.834 5.795 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.214 8.182 5.157 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.630 8.312 6.218 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.193 8.859 7.059 1.00 0.09 H new ATOM 688 N LEU A 43 -0.305 5.455 3.127 1.00 0.06 N ATOM 689 CA LEU A 43 0.594 4.618 2.344 1.00 0.07 C ATOM 690 C LEU A 43 0.347 4.876 0.871 1.00 0.08 C ATOM 691 O LEU A 43 1.232 5.302 0.133 1.00 0.10 O ATOM 692 CB LEU A 43 0.329 3.143 2.645 1.00 0.08 C ATOM 693 CG LEU A 43 1.527 2.338 3.157 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.646 2.334 2.135 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.017 2.901 4.473 1.00 0.09 C ATOM 0 H LEU A 43 -0.904 4.937 3.770 1.00 0.06 H new ATOM 0 HA LEU A 43 1.626 4.856 2.601 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.469 3.081 3.385 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.042 2.668 1.737 1.00 0.08 H new ATOM 0 HG LEU A 43 1.205 1.309 3.317 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.487 1.757 2.519 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.290 1.885 1.208 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.966 3.358 1.942 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.869 2.318 4.824 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.320 3.939 4.334 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.216 2.852 5.210 1.00 0.09 H new ATOM 707 N ILE A 44 -0.887 4.610 0.469 1.00 0.09 N ATOM 708 CA ILE A 44 -1.331 4.813 -0.894 1.00 0.10 C ATOM 709 C ILE A 44 -1.146 6.265 -1.329 1.00 0.10 C ATOM 710 O ILE A 44 -1.348 6.607 -2.495 1.00 0.15 O ATOM 711 CB ILE A 44 -2.810 4.417 -1.029 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.702 5.384 -0.244 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.003 2.997 -0.522 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.166 5.270 -0.579 1.00 0.20 C ATOM 0 H ILE A 44 -1.611 4.244 1.088 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.722 4.183 -1.542 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.095 4.468 -2.080 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.568 5.203 0.822 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.373 6.405 -0.438 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.052 2.716 -0.618 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.389 2.314 -1.110 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.706 2.941 0.525 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.732 5.986 0.017 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.314 5.481 -1.638 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.512 4.260 -0.358 1.00 0.20 H new ATOM 726 N TYR A 45 -0.767 7.119 -0.380 1.00 0.08 N ATOM 727 CA TYR A 45 -0.551 8.534 -0.660 1.00 0.08 C ATOM 728 C TYR A 45 0.938 8.879 -0.669 1.00 0.08 C ATOM 729 O TYR A 45 1.332 9.928 -1.180 1.00 0.10 O ATOM 730 CB TYR A 45 -1.284 9.398 0.369 1.00 0.10 C ATOM 731 CG TYR A 45 -2.723 9.720 0.006 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.455 8.912 -0.863 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.353 10.834 0.546 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.766 9.211 -1.179 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.665 11.138 0.231 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.366 10.323 -0.630 1.00 0.16 C ATOM 737 OH TYR A 45 -6.672 10.621 -0.943 1.00 0.19 O ATOM 0 H TYR A 45 -0.603 6.853 0.591 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.952 8.742 -1.652 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.271 8.886 1.331 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.737 10.332 0.497 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.990 8.039 -1.296 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.808 11.474 1.224 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.319 8.575 -1.854 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.137 12.010 0.658 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.944 11.436 -0.471 1.00 0.19 H new ATOM 747 N LEU A 46 1.763 7.998 -0.100 1.00 0.08 N ATOM 748 CA LEU A 46 3.205 8.220 -0.063 1.00 0.09 C ATOM 749 C LEU A 46 3.775 8.283 -1.471 1.00 0.09 C ATOM 750 O LEU A 46 3.041 8.365 -2.456 1.00 0.11 O ATOM 751 CB LEU A 46 3.927 7.096 0.688 1.00 0.10 C ATOM 752 CG LEU A 46 3.438 6.794 2.105 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.344 5.760 2.757 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.392 8.060 2.944 1.00 0.12 C ATOM 0 H LEU A 46 1.457 7.129 0.339 1.00 0.08 H new ATOM 0 HA LEU A 46 3.364 9.166 0.454 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.844 6.184 0.097 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.987 7.347 0.740 1.00 0.10 H new ATOM 0 HG LEU A 46 2.426 6.393 2.043 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.989 5.550 3.766 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.330 4.842 2.169 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.362 6.146 2.803 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.041 7.819 3.947 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.390 8.494 3.003 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.712 8.777 2.484 1.00 0.12 H new ATOM 766 N ASP A 47 5.096 8.234 -1.547 1.00 0.09 N ATOM 767 CA ASP A 47 5.794 8.265 -2.819 1.00 0.10 C ATOM 768 C ASP A 47 7.128 7.544 -2.699 1.00 0.10 C ATOM 769 O ASP A 47 7.547 7.180 -1.602 1.00 0.16 O ATOM 770 CB ASP A 47 6.021 9.708 -3.278 1.00 0.11 C ATOM 771 CG ASP A 47 4.723 10.463 -3.489 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.186 10.417 -4.616 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.244 11.100 -2.527 1.00 0.96 O ATOM 0 H ASP A 47 5.709 8.172 -0.734 1.00 0.09 H new ATOM 0 HA ASP A 47 5.177 7.759 -3.562 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.625 10.231 -2.536 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.590 9.705 -4.207 1.00 0.11 H new ATOM 778 N ASP A 48 7.780 7.338 -3.832 1.00 0.12 N ATOM 779 CA ASP A 48 9.078 6.672 -3.861 1.00 0.14 C ATOM 780 C ASP A 48 10.001 7.271 -2.806 1.00 0.14 C ATOM 781 O ASP A 48 10.612 6.554 -2.015 1.00 0.21 O ATOM 782 CB ASP A 48 9.701 6.822 -5.255 1.00 0.17 C ATOM 783 CG ASP A 48 11.217 6.831 -5.227 1.00 1.06 C ATOM 784 OD1 ASP A 48 11.798 7.900 -4.951 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.823 5.767 -5.473 1.00 1.65 O ATOM 0 H ASP A 48 7.433 7.622 -4.748 1.00 0.12 H new ATOM 0 HA ASP A 48 8.942 5.613 -3.641 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.359 6.004 -5.890 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.346 7.747 -5.708 1.00 0.17 H new ATOM 790 N GLU A 49 10.071 8.593 -2.792 1.00 0.14 N ATOM 791 CA GLU A 49 10.918 9.316 -1.846 1.00 0.16 C ATOM 792 C GLU A 49 10.559 9.004 -0.390 1.00 0.13 C ATOM 793 O GLU A 49 11.437 8.678 0.409 1.00 0.19 O ATOM 794 CB GLU A 49 10.818 10.820 -2.092 1.00 0.23 C ATOM 795 CG GLU A 49 11.771 11.638 -1.235 1.00 0.37 C ATOM 796 CD GLU A 49 11.636 13.129 -1.478 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.743 13.751 -0.866 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.423 13.672 -2.283 1.00 0.51 O ATOM 0 H GLU A 49 9.548 9.194 -3.429 1.00 0.14 H new ATOM 0 HA GLU A 49 11.942 8.983 -2.011 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.022 11.023 -3.143 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.796 11.145 -1.897 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.581 11.426 -0.183 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.796 11.331 -1.442 1.00 0.37 H new ATOM 805 N THR A 50 9.275 9.109 -0.045 1.00 0.11 N ATOM 806 CA THR A 50 8.836 8.848 1.324 1.00 0.10 C ATOM 807 C THR A 50 9.188 7.431 1.754 1.00 0.09 C ATOM 808 O THR A 50 9.759 7.224 2.821 1.00 0.13 O ATOM 809 CB THR A 50 7.321 9.057 1.491 1.00 0.12 C ATOM 810 OG1 THR A 50 6.976 10.417 1.199 1.00 0.19 O ATOM 811 CG2 THR A 50 6.887 8.710 2.908 1.00 0.14 C ATOM 0 H THR A 50 8.528 9.370 -0.689 1.00 0.11 H new ATOM 0 HA THR A 50 9.361 9.563 1.957 1.00 0.10 H new ATOM 0 HB THR A 50 6.804 8.398 0.794 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.010 10.540 1.306 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.813 8.864 3.007 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.125 7.667 3.116 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.412 9.350 3.617 1.00 0.14 H new ATOM 819 N LEU A 51 8.844 6.465 0.912 1.00 0.09 N ATOM 820 CA LEU A 51 9.124 5.063 1.191 1.00 0.11 C ATOM 821 C LEU A 51 10.583 4.881 1.573 1.00 0.11 C ATOM 822 O LEU A 51 10.905 4.136 2.497 1.00 0.14 O ATOM 823 CB LEU A 51 8.796 4.229 -0.042 1.00 0.12 C ATOM 824 CG LEU A 51 7.303 4.027 -0.298 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.071 3.505 -1.704 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.715 3.071 0.729 1.00 0.74 C ATOM 0 H LEU A 51 8.368 6.629 0.025 1.00 0.09 H new ATOM 0 HA LEU A 51 8.507 4.733 2.027 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.239 4.707 -0.916 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.269 3.252 0.061 1.00 0.12 H new ATOM 0 HG LEU A 51 6.801 4.990 -0.202 1.00 0.16 H new ATOM 0 HD11 LEU A 51 6.002 3.367 -1.869 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.460 4.222 -2.427 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.583 2.551 -1.827 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.651 2.937 0.534 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.221 2.108 0.661 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.851 3.482 1.729 1.00 0.74 H new ATOM 838 N GLU A 52 11.461 5.568 0.854 1.00 0.10 N ATOM 839 CA GLU A 52 12.887 5.505 1.135 1.00 0.13 C ATOM 840 C GLU A 52 13.135 5.984 2.551 1.00 0.13 C ATOM 841 O GLU A 52 13.878 5.370 3.317 1.00 0.16 O ATOM 842 CB GLU A 52 13.654 6.389 0.156 1.00 0.16 C ATOM 843 CG GLU A 52 15.135 6.060 0.065 1.00 0.33 C ATOM 844 CD GLU A 52 15.893 7.017 -0.834 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.155 8.158 -0.401 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.223 6.625 -1.973 1.00 0.52 O ATOM 0 H GLU A 52 11.210 6.174 0.073 1.00 0.10 H new ATOM 0 HA GLU A 52 13.231 4.476 1.026 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.208 6.291 -0.834 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.540 7.431 0.456 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.570 6.084 1.064 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.255 5.044 -0.310 1.00 0.33 H new ATOM 853 N LYS A 53 12.496 7.094 2.880 1.00 0.13 N ATOM 854 CA LYS A 53 12.616 7.689 4.205 1.00 0.16 C ATOM 855 C LYS A 53 12.218 6.693 5.291 1.00 0.18 C ATOM 856 O LYS A 53 12.790 6.688 6.382 1.00 0.25 O ATOM 857 CB LYS A 53 11.758 8.948 4.298 1.00 0.17 C ATOM 858 CG LYS A 53 12.205 10.083 3.397 1.00 0.42 C ATOM 859 CD LYS A 53 13.664 10.439 3.598 1.00 0.60 C ATOM 860 CE LYS A 53 14.519 9.628 2.653 1.00 1.54 C ATOM 861 NZ LYS A 53 15.852 9.307 3.233 1.00 2.19 N ATOM 0 H LYS A 53 11.884 7.606 2.244 1.00 0.13 H new ATOM 0 HA LYS A 53 13.660 7.961 4.363 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.728 8.689 4.051 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.760 9.298 5.330 1.00 0.17 H new ATOM 0 HG2 LYS A 53 12.042 9.803 2.356 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.589 10.961 3.591 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.817 11.503 3.420 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.958 10.243 4.629 1.00 0.60 H new ATOM 0 HE2 LYS A 53 14.002 8.702 2.402 1.00 1.54 H new ATOM 0 HE3 LYS A 53 14.653 10.180 1.723 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 16.403 8.750 2.549 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 16.358 10.189 3.449 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 15.727 8.757 4.107 1.00 2.19 H new ATOM 875 N LYS A 54 11.236 5.847 4.985 1.00 0.13 N ATOM 876 CA LYS A 54 10.769 4.844 5.932 1.00 0.16 C ATOM 877 C LYS A 54 11.817 3.757 6.081 1.00 0.17 C ATOM 878 O LYS A 54 12.315 3.485 7.173 1.00 0.21 O ATOM 879 CB LYS A 54 9.459 4.218 5.448 1.00 0.16 C ATOM 880 CG LYS A 54 8.558 5.193 4.715 1.00 0.25 C ATOM 881 CD LYS A 54 8.096 6.301 5.638 1.00 0.39 C ATOM 882 CE LYS A 54 6.597 6.244 5.844 1.00 0.30 C ATOM 883 NZ LYS A 54 6.184 6.952 7.085 1.00 1.20 N ATOM 0 H LYS A 54 10.750 5.838 4.088 1.00 0.13 H new ATOM 0 HA LYS A 54 10.597 5.328 6.894 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.687 3.380 4.789 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.921 3.812 6.305 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.092 5.620 3.866 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.693 4.664 4.314 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.603 6.214 6.599 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.373 7.268 5.218 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.095 6.691 4.986 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.276 5.204 5.895 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.282 6.561 7.424 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.913 6.825 7.816 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.068 7.966 6.884 1.00 1.20 H new ATOM 897 N GLY A 55 12.139 3.144 4.952 1.00 0.19 N ATOM 898 CA GLY A 55 13.122 2.085 4.915 1.00 0.23 C ATOM 899 C GLY A 55 13.184 1.432 3.551 1.00 0.25 C ATOM 900 O GLY A 55 14.141 0.727 3.232 1.00 0.38 O ATOM 0 H GLY A 55 11.727 3.368 4.046 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.102 2.488 5.171 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.879 1.335 5.668 1.00 0.23 H new ATOM 904 N VAL A 56 12.148 1.666 2.749 1.00 0.17 N ATOM 905 CA VAL A 56 12.075 1.125 1.400 1.00 0.21 C ATOM 906 C VAL A 56 13.095 1.828 0.515 1.00 0.40 C ATOM 907 O VAL A 56 12.761 2.744 -0.232 1.00 0.89 O ATOM 908 CB VAL A 56 10.665 1.311 0.806 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.440 0.378 -0.373 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.599 1.096 1.873 1.00 0.17 C ATOM 0 H VAL A 56 11.343 2.232 3.016 1.00 0.17 H new ATOM 0 HA VAL A 56 12.293 0.058 1.444 1.00 0.21 H new ATOM 0 HB VAL A 56 10.586 2.336 0.443 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.437 0.531 -0.772 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.176 0.589 -1.149 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.546 -0.656 -0.044 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.611 1.232 1.433 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.682 0.085 2.272 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.740 1.817 2.678 1.00 0.17 H new ATOM 920 N LEU A 57 14.341 1.384 0.613 1.00 0.21 N ATOM 921 CA LEU A 57 15.439 1.978 -0.143 1.00 0.26 C ATOM 922 C LEU A 57 15.516 1.435 -1.566 1.00 0.36 C ATOM 923 O LEU A 57 16.046 2.095 -2.461 1.00 0.83 O ATOM 924 CB LEU A 57 16.756 1.716 0.594 1.00 0.34 C ATOM 925 CG LEU A 57 17.115 2.717 1.706 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.868 3.344 2.315 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.929 2.030 2.789 1.00 0.55 C ATOM 0 H LEU A 57 14.619 0.608 1.214 1.00 0.21 H new ATOM 0 HA LEU A 57 15.258 3.050 -0.219 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.713 0.718 1.030 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.564 1.710 -0.137 1.00 0.34 H new ATOM 0 HG LEU A 57 17.709 3.513 1.257 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.158 4.046 3.097 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.312 3.873 1.541 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.240 2.563 2.744 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.176 2.749 3.570 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.348 1.214 3.218 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.848 1.633 2.357 1.00 0.55 H new ATOM 939 N ALA A 58 14.990 0.236 -1.771 1.00 0.21 N ATOM 940 CA ALA A 58 15.008 -0.390 -3.086 1.00 0.17 C ATOM 941 C ALA A 58 14.237 0.425 -4.101 1.00 0.13 C ATOM 942 O ALA A 58 13.012 0.514 -4.035 1.00 0.12 O ATOM 943 CB ALA A 58 14.423 -1.786 -3.013 1.00 0.18 C ATOM 0 H ALA A 58 14.545 -0.323 -1.043 1.00 0.21 H new ATOM 0 HA ALA A 58 16.048 -0.444 -3.407 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.443 -2.241 -4.003 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.011 -2.391 -2.323 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.393 -1.731 -2.660 1.00 0.18 H new ATOM 949 N LEU A 59 14.959 1.026 -5.039 1.00 0.14 N ATOM 950 CA LEU A 59 14.326 1.799 -6.090 1.00 0.13 C ATOM 951 C LEU A 59 13.270 0.937 -6.755 1.00 0.12 C ATOM 952 O LEU A 59 12.282 1.433 -7.291 1.00 0.14 O ATOM 953 CB LEU A 59 15.363 2.255 -7.121 1.00 0.15 C ATOM 954 CG LEU A 59 15.973 3.634 -6.867 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.902 4.704 -6.975 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.645 3.685 -5.504 1.00 0.27 C ATOM 0 H LEU A 59 15.977 0.991 -5.090 1.00 0.14 H new ATOM 0 HA LEU A 59 13.864 2.689 -5.662 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.167 1.520 -7.153 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.895 2.258 -8.106 1.00 0.15 H new ATOM 0 HG LEU A 59 16.734 3.822 -7.624 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.346 5.683 -6.793 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.467 4.683 -7.974 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.123 4.515 -6.236 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.072 4.675 -5.346 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.909 3.479 -4.727 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.437 2.938 -5.461 1.00 0.27 H new ATOM 968 N GLY A 60 13.506 -0.369 -6.713 1.00 0.12 N ATOM 969 CA GLY A 60 12.581 -1.314 -7.285 1.00 0.12 C ATOM 970 C GLY A 60 11.347 -1.519 -6.427 1.00 0.11 C ATOM 971 O GLY A 60 10.241 -1.624 -6.943 1.00 0.14 O ATOM 0 H GLY A 60 14.332 -0.788 -6.287 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.278 -0.967 -8.273 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.085 -2.271 -7.424 1.00 0.12 H new ATOM 975 N ALA A 61 11.545 -1.585 -5.111 1.00 0.10 N ATOM 976 CA ALA A 61 10.456 -1.802 -4.168 1.00 0.10 C ATOM 977 C ALA A 61 9.571 -0.571 -3.974 1.00 0.11 C ATOM 978 O ALA A 61 8.352 -0.654 -4.115 1.00 0.16 O ATOM 979 CB ALA A 61 11.020 -2.253 -2.832 1.00 0.13 C ATOM 0 H ALA A 61 12.461 -1.490 -4.673 1.00 0.10 H new ATOM 0 HA ALA A 61 9.819 -2.578 -4.592 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.203 -2.415 -2.128 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.573 -3.183 -2.966 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.689 -1.486 -2.442 1.00 0.13 H new ATOM 985 N ARG A 62 10.181 0.567 -3.645 1.00 0.14 N ATOM 986 CA ARG A 62 9.419 1.785 -3.396 1.00 0.16 C ATOM 987 C ARG A 62 8.703 2.283 -4.638 1.00 0.11 C ATOM 988 O ARG A 62 7.478 2.398 -4.644 1.00 0.11 O ATOM 989 CB ARG A 62 10.313 2.880 -2.809 1.00 0.23 C ATOM 990 CG ARG A 62 11.480 3.308 -3.681 1.00 0.32 C ATOM 991 CD ARG A 62 12.434 4.202 -2.899 1.00 0.23 C ATOM 992 NE ARG A 62 13.525 4.718 -3.722 1.00 0.21 N ATOM 993 CZ ARG A 62 13.954 5.980 -3.672 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.347 6.859 -2.887 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.985 6.365 -4.410 1.00 0.48 N ATOM 0 H ARG A 62 11.191 0.669 -3.546 1.00 0.14 H new ATOM 0 HA ARG A 62 8.652 1.533 -2.664 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.697 3.755 -2.601 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.705 2.532 -1.853 1.00 0.23 H new ATOM 0 HG2 ARG A 62 12.012 2.428 -4.043 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.110 3.840 -4.557 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.877 5.038 -2.475 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.850 3.639 -2.063 1.00 0.23 H new ATOM 0 HE ARG A 62 13.984 4.078 -4.370 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.550 6.571 -2.319 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.677 7.823 -2.851 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.454 5.695 -5.020 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.309 7.331 -4.368 1.00 0.48 H new ATOM 1009 N ARG A 63 9.461 2.594 -5.676 1.00 0.12 N ATOM 1010 CA ARG A 63 8.867 3.066 -6.920 1.00 0.13 C ATOM 1011 C ARG A 63 7.746 2.123 -7.347 1.00 0.12 C ATOM 1012 O ARG A 63 6.815 2.519 -8.047 1.00 0.14 O ATOM 1013 CB ARG A 63 9.915 3.159 -8.028 1.00 0.16 C ATOM 1014 CG ARG A 63 10.903 4.296 -7.835 1.00 0.79 C ATOM 1015 CD ARG A 63 11.779 4.491 -9.062 1.00 0.75 C ATOM 1016 NE ARG A 63 12.667 5.642 -8.921 1.00 1.33 N ATOM 1017 CZ ARG A 63 13.185 6.307 -9.949 1.00 1.56 C ATOM 1018 NH1 ARG A 63 12.900 5.940 -11.191 1.00 1.33 N ATOM 1019 NH2 ARG A 63 13.985 7.343 -9.735 1.00 2.47 N ATOM 0 H ARG A 63 10.479 2.530 -5.685 1.00 0.12 H new ATOM 0 HA ARG A 63 8.461 4.063 -6.749 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.462 2.218 -8.079 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.410 3.286 -8.985 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.361 5.218 -7.624 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.531 4.090 -6.968 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.373 3.593 -9.230 1.00 0.75 H new ATOM 0 HD3 ARG A 63 11.148 4.625 -9.941 1.00 0.75 H new ATOM 0 HE ARG A 63 12.903 5.954 -7.979 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.282 5.146 -11.359 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.299 6.452 -11.978 1.00 1.33 H new ATOM 0 HH21 ARG A 63 14.203 7.630 -8.781 1.00 2.47 H new ATOM 0 HH22 ARG A 63 14.382 7.852 -10.524 1.00 2.47 H new ATOM 1033 N LYS A 64 7.852 0.866 -6.914 1.00 0.10 N ATOM 1034 CA LYS A 64 6.850 -0.146 -7.228 1.00 0.13 C ATOM 1035 C LYS A 64 5.611 0.028 -6.359 1.00 0.11 C ATOM 1036 O LYS A 64 4.489 -0.139 -6.830 1.00 0.12 O ATOM 1037 CB LYS A 64 7.430 -1.543 -7.026 1.00 0.18 C ATOM 1038 CG LYS A 64 6.430 -2.664 -7.254 1.00 0.76 C ATOM 1039 CD LYS A 64 7.098 -4.028 -7.184 1.00 1.33 C ATOM 1040 CE LYS A 64 6.099 -5.150 -7.418 1.00 1.80 C ATOM 1041 NZ LYS A 64 5.453 -5.049 -8.756 1.00 2.52 N ATOM 0 H LYS A 64 8.626 0.526 -6.343 1.00 0.10 H new ATOM 0 HA LYS A 64 6.561 -0.024 -8.272 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.272 -1.677 -7.704 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.822 -1.620 -6.012 1.00 0.18 H new ATOM 0 HG2 LYS A 64 5.639 -2.606 -6.506 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.957 -2.539 -8.228 1.00 0.76 H new ATOM 0 HD2 LYS A 64 7.891 -4.084 -7.929 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.567 -4.155 -6.208 1.00 1.33 H new ATOM 0 HE2 LYS A 64 6.606 -6.111 -7.331 1.00 1.80 H new ATOM 0 HE3 LYS A 64 5.334 -5.122 -6.642 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 4.967 -5.942 -8.975 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 4.763 -4.271 -8.750 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 6.178 -4.863 -9.478 1.00 2.52 H new ATOM 1055 N LEU A 65 5.822 0.347 -5.085 1.00 0.11 N ATOM 1056 CA LEU A 65 4.716 0.555 -4.161 1.00 0.11 C ATOM 1057 C LEU A 65 3.787 1.638 -4.684 1.00 0.08 C ATOM 1058 O LEU A 65 2.590 1.637 -4.401 1.00 0.09 O ATOM 1059 CB LEU A 65 5.237 0.941 -2.781 1.00 0.13 C ATOM 1060 CG LEU A 65 5.391 -0.225 -1.813 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.698 -0.116 -1.050 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.210 -0.287 -0.857 1.00 0.23 C ATOM 0 H LEU A 65 6.747 0.466 -4.672 1.00 0.11 H new ATOM 0 HA LEU A 65 4.160 -0.379 -4.077 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.204 1.431 -2.896 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.559 1.673 -2.343 1.00 0.13 H new ATOM 0 HG LEU A 65 5.410 -1.150 -2.389 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.790 -0.958 -0.364 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.531 -0.128 -1.752 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.713 0.816 -0.485 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.339 -1.126 -0.174 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.155 0.640 -0.286 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.289 -0.419 -1.425 1.00 0.23 H new ATOM 1074 N LEU A 66 4.353 2.557 -5.458 1.00 0.08 N ATOM 1075 CA LEU A 66 3.588 3.652 -6.036 1.00 0.09 C ATOM 1076 C LEU A 66 2.492 3.118 -6.945 1.00 0.11 C ATOM 1077 O LEU A 66 1.506 3.804 -7.216 1.00 0.14 O ATOM 1078 CB LEU A 66 4.515 4.591 -6.805 1.00 0.11 C ATOM 1079 CG LEU A 66 5.192 5.660 -5.945 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.595 5.954 -6.455 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.353 6.928 -5.923 1.00 0.14 C ATOM 0 H LEU A 66 5.344 2.564 -5.700 1.00 0.08 H new ATOM 0 HA LEU A 66 3.116 4.212 -5.229 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.285 3.997 -7.297 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.942 5.084 -7.590 1.00 0.11 H new ATOM 0 HG LEU A 66 5.275 5.281 -4.926 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.057 6.717 -5.829 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.193 5.044 -6.419 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.541 6.313 -7.483 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.846 7.680 -5.307 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.240 7.307 -6.939 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.370 6.707 -5.507 1.00 0.14 H new ATOM 1093 N LYS A 67 2.673 1.890 -7.416 1.00 0.12 N ATOM 1094 CA LYS A 67 1.698 1.255 -8.277 1.00 0.16 C ATOM 1095 C LYS A 67 0.554 0.739 -7.418 1.00 0.14 C ATOM 1096 O LYS A 67 -0.614 0.803 -7.801 1.00 0.16 O ATOM 1097 CB LYS A 67 2.358 0.116 -9.056 1.00 0.22 C ATOM 1098 CG LYS A 67 1.752 -0.125 -10.430 1.00 0.84 C ATOM 1099 CD LYS A 67 0.463 -0.926 -10.352 1.00 1.26 C ATOM 1100 CE LYS A 67 0.741 -2.408 -10.176 1.00 1.56 C ATOM 1101 NZ LYS A 67 1.481 -2.978 -11.337 1.00 2.20 N ATOM 0 H LYS A 67 3.492 1.317 -7.212 1.00 0.12 H new ATOM 0 HA LYS A 67 1.306 1.971 -8.999 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.419 0.336 -9.172 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.284 -0.801 -8.471 1.00 0.22 H new ATOM 0 HG2 LYS A 67 1.555 0.832 -10.912 1.00 0.84 H new ATOM 0 HG3 LYS A 67 2.471 -0.655 -11.055 1.00 0.84 H new ATOM 0 HD2 LYS A 67 -0.141 -0.566 -9.519 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.120 -0.769 -11.259 1.00 1.26 H new ATOM 0 HE2 LYS A 67 1.320 -2.563 -9.266 1.00 1.56 H new ATOM 0 HE3 LYS A 67 -0.201 -2.941 -10.049 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 1.291 -3.998 -11.403 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 1.168 -2.511 -12.212 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.501 -2.823 -11.208 1.00 2.20 H new ATOM 1115 N ALA A 68 0.916 0.226 -6.242 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.061 -0.288 -5.291 1.00 0.14 C ATOM 1117 C ALA A 68 -0.811 0.861 -4.631 1.00 0.13 C ATOM 1118 O ALA A 68 -1.925 0.693 -4.143 1.00 0.23 O ATOM 1119 CB ALA A 68 0.622 -1.152 -4.237 1.00 0.17 C ATOM 0 H ALA A 68 1.884 0.157 -5.927 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.777 -0.907 -5.831 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.123 -1.527 -3.535 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.119 -1.992 -4.722 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.359 -0.555 -3.699 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.186 2.033 -4.628 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.766 3.223 -4.023 1.00 0.11 C ATOM 1127 C PHE A 69 -1.980 3.727 -4.802 1.00 0.10 C ATOM 1128 O PHE A 69 -2.977 4.145 -4.213 1.00 0.12 O ATOM 1129 CB PHE A 69 0.288 4.334 -3.961 1.00 0.11 C ATOM 1130 CG PHE A 69 1.395 4.119 -2.954 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.374 3.054 -2.061 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.464 5.002 -2.902 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.392 2.882 -1.142 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.484 4.830 -1.985 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.446 3.770 -1.103 1.00 0.12 C ATOM 0 H PHE A 69 0.733 2.183 -5.044 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.097 2.954 -3.020 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.735 4.444 -4.949 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.212 5.275 -3.731 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.553 2.353 -2.086 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.500 5.836 -3.588 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.362 2.051 -0.453 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.310 5.525 -1.959 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.240 3.636 -0.383 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.892 3.686 -6.128 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.978 4.182 -6.961 1.00 0.13 C ATOM 1147 C GLY A 70 -4.198 3.284 -7.009 1.00 0.13 C ATOM 1148 O GLY A 70 -5.318 3.747 -6.786 1.00 0.13 O ATOM 0 H GLY A 70 -1.091 3.319 -6.642 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.280 5.163 -6.595 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.605 4.321 -7.976 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.994 2.007 -7.301 1.00 0.14 N ATOM 1153 CA ILE A 71 -5.102 1.061 -7.399 1.00 0.15 C ATOM 1154 C ILE A 71 -5.957 1.075 -6.137 1.00 0.13 C ATOM 1155 O ILE A 71 -7.172 0.888 -6.200 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.590 -0.370 -7.644 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.636 -0.394 -8.838 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.757 -1.318 -7.878 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.603 -1.494 -8.758 1.00 0.25 C ATOM 0 H ILE A 71 -3.075 1.601 -7.474 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.713 1.375 -8.246 1.00 0.15 H new ATOM 0 HB ILE A 71 -4.048 -0.702 -6.759 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -4.215 -0.515 -9.754 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -3.128 0.568 -8.907 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.378 -2.326 -8.050 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.406 -1.319 -7.003 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.323 -0.990 -8.750 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.959 -1.453 -9.637 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -2.000 -1.362 -7.860 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -3.104 -2.461 -8.720 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.319 1.299 -4.996 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.034 1.337 -3.724 1.00 0.11 C ATOM 1173 C VAL A 72 -6.892 2.588 -3.635 1.00 0.12 C ATOM 1174 O VAL A 72 -8.035 2.545 -3.179 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.072 1.313 -2.524 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.845 1.396 -1.214 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.201 0.070 -2.557 1.00 0.12 C ATOM 0 H VAL A 72 -4.314 1.456 -4.923 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.661 0.446 -3.687 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.421 2.185 -2.592 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.146 1.378 -0.378 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.418 2.323 -1.188 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.524 0.547 -1.138 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.529 0.074 -1.699 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.832 -0.818 -2.519 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.616 0.060 -3.477 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.322 3.700 -4.076 1.00 0.13 N ATOM 1188 CA ILE A 73 -7.005 4.983 -4.048 1.00 0.16 C ATOM 1189 C ILE A 73 -8.306 4.947 -4.841 1.00 0.19 C ATOM 1190 O ILE A 73 -9.372 5.210 -4.300 1.00 0.28 O ATOM 1191 CB ILE A 73 -6.091 6.097 -4.613 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -5.028 6.486 -3.587 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.908 7.312 -5.025 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.910 7.332 -4.155 1.00 0.16 C ATOM 0 H ILE A 73 -5.378 3.738 -4.461 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.243 5.198 -3.006 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.590 5.710 -5.501 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.505 7.031 -2.772 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.602 5.579 -3.157 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -6.243 8.081 -5.419 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.626 7.024 -5.793 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.441 7.703 -4.158 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.195 7.567 -3.366 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.406 6.782 -4.950 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.322 8.257 -4.559 1.00 0.16 H new ATOM 1206 N ASP A 74 -8.210 4.637 -6.122 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.389 4.581 -6.981 1.00 0.21 C ATOM 1208 C ASP A 74 -10.462 3.669 -6.390 1.00 0.19 C ATOM 1209 O ASP A 74 -11.615 4.076 -6.274 1.00 0.22 O ATOM 1210 CB ASP A 74 -9.001 4.100 -8.380 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.941 4.616 -9.452 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.000 5.848 -9.646 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.618 3.789 -10.097 1.00 0.55 O ATOM 0 H ASP A 74 -7.332 4.420 -6.593 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.802 5.587 -7.051 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.985 4.426 -8.604 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.997 3.010 -8.398 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.096 2.437 -6.023 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.069 1.515 -5.441 1.00 0.25 C ATOM 1220 C TYR A 75 -11.651 2.117 -4.172 1.00 0.27 C ATOM 1221 O TYR A 75 -12.814 1.891 -3.841 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.449 0.135 -5.183 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.628 -0.841 -6.339 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.066 -0.401 -7.582 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.368 -2.200 -6.188 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.234 -1.275 -8.636 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -10.533 -3.082 -7.239 1.00 1.41 C ATOM 1228 CZ TYR A 75 -10.967 -2.615 -8.461 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.134 -3.490 -9.509 1.00 1.24 O ATOM 0 H TYR A 75 -9.152 2.063 -6.117 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.879 1.364 -6.154 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.384 0.256 -4.983 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -10.896 -0.292 -4.285 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.280 0.648 -7.726 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.031 -2.572 -5.232 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.573 -0.910 -9.594 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -10.323 -4.133 -7.103 1.00 1.41 H new ATOM 0 HH TYR A 75 -10.902 -4.397 -9.218 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.832 2.886 -3.463 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.286 3.571 -2.266 1.00 0.30 C ATOM 1241 C LYS A 76 -12.371 4.554 -2.669 1.00 0.37 C ATOM 1242 O LYS A 76 -13.449 4.628 -2.079 1.00 0.51 O ATOM 1243 CB LYS A 76 -10.128 4.364 -1.632 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.569 5.732 -1.122 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.468 6.495 -0.407 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.201 6.583 -1.235 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.512 7.890 -1.057 1.00 1.66 N ATOM 0 H LYS A 76 -9.853 3.048 -3.699 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.657 2.840 -1.548 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.708 3.790 -0.806 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.334 4.492 -2.368 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -10.926 6.327 -1.963 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -11.412 5.603 -0.443 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -9.818 7.501 -0.173 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.247 6.006 0.542 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.526 5.775 -0.953 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -8.445 6.441 -2.288 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -7.695 8.494 -1.884 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.871 8.358 -0.200 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -6.488 7.733 -0.963 1.00 1.66 H new ATOM 1261 N GLU A 77 -12.027 5.297 -3.703 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.851 6.338 -4.268 1.00 0.36 C ATOM 1263 C GLU A 77 -14.013 5.783 -5.090 1.00 0.34 C ATOM 1264 O GLU A 77 -14.938 6.515 -5.442 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.931 7.211 -5.111 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.826 7.859 -4.281 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.470 9.253 -4.760 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -9.617 9.369 -5.666 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -11.046 10.227 -4.233 1.00 1.09 O ATOM 0 H GLU A 77 -11.136 5.186 -4.186 1.00 0.31 H new ATOM 0 HA GLU A 77 -13.321 6.918 -3.474 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.483 6.607 -5.900 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.519 7.988 -5.600 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -11.142 7.908 -3.239 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.936 7.230 -4.315 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.961 4.491 -5.393 1.00 0.31 N ATOM 1277 CA ARG A 78 -15.016 3.844 -6.162 1.00 0.33 C ATOM 1278 C ARG A 78 -15.944 3.068 -5.240 1.00 0.36 C ATOM 1279 O ARG A 78 -16.540 2.070 -5.641 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.421 2.892 -7.193 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.833 3.586 -8.408 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.325 2.577 -9.424 1.00 0.42 C ATOM 1283 NE ARG A 78 -14.411 1.790 -10.004 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.233 0.874 -10.950 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.018 0.627 -11.421 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -15.272 0.201 -11.428 1.00 2.37 N ATOM 0 H ARG A 78 -13.199 3.871 -5.118 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.583 4.620 -6.676 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.643 2.296 -6.716 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.196 2.199 -7.522 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.589 4.221 -8.869 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.016 4.237 -8.098 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.792 3.099 -10.218 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -12.609 1.909 -8.945 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.359 1.953 -9.664 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.216 1.141 -11.057 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -12.886 -0.077 -12.147 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -16.209 0.387 -11.069 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -15.134 -0.502 -12.154 1.00 2.37 H new ATOM 1300 N ASP A 79 -16.052 3.540 -4.005 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.883 2.903 -2.997 1.00 0.43 C ATOM 1302 C ASP A 79 -16.630 1.398 -2.949 1.00 0.40 C ATOM 1303 O ASP A 79 -17.472 0.629 -2.486 1.00 0.47 O ATOM 1304 CB ASP A 79 -18.359 3.207 -3.249 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.975 2.349 -4.340 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -19.445 1.235 -4.028 1.00 2.00 O ATOM 1307 OD2 ASP A 79 -18.996 2.796 -5.506 1.00 2.13 O ATOM 0 H ASP A 79 -15.566 4.374 -3.676 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.614 3.313 -2.024 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.916 3.059 -2.324 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.465 4.257 -3.520 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.453 0.987 -3.420 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.080 -0.421 -3.429 1.00 0.32 C ATOM 1314 C LEU A 80 -14.417 -0.799 -2.109 1.00 0.31 C ATOM 1315 O LEU A 80 -14.416 -1.965 -1.713 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.149 -0.731 -4.607 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.798 -1.513 -5.748 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.405 -0.564 -6.763 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.780 -2.409 -6.419 1.00 0.39 C ATOM 0 H LEU A 80 -14.743 1.613 -3.800 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.985 -1.016 -3.548 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.762 0.208 -5.003 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.294 -1.297 -4.237 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.591 -2.134 -5.331 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.863 -1.138 -7.569 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.164 0.050 -6.278 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.625 0.078 -7.172 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.258 -2.959 -7.230 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -12.970 -1.801 -6.821 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.378 -3.113 -5.690 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.851 0.200 -1.433 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.203 -0.016 -0.145 1.00 0.14 C ATOM 1333 C ILE A 81 -14.118 0.419 0.988 1.00 0.13 C ATOM 1334 O ILE A 81 -14.704 1.502 0.949 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.871 0.752 -0.031 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.895 0.278 -1.108 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.266 0.569 1.360 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.520 0.904 -1.009 1.00 0.17 C ATOM 0 H ILE A 81 -13.829 1.167 -1.758 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.994 -1.083 -0.072 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.066 1.814 -0.182 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.796 -0.805 -1.043 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.315 0.501 -2.089 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.326 1.118 1.423 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.959 0.949 2.111 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.081 -0.490 1.540 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.886 0.517 -1.807 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.605 1.986 -1.105 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.078 0.659 -0.043 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.236 -0.432 1.996 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.076 -0.139 3.145 1.00 0.13 C ATOM 1352 C ASP A 82 -14.584 1.107 3.864 1.00 0.13 C ATOM 1353 O ASP A 82 -13.381 1.292 4.052 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.066 -1.317 4.113 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.326 -1.386 4.952 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.475 -0.551 5.869 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.160 -2.278 4.698 1.00 0.47 O ATOM 0 H ASP A 82 -13.759 -1.333 2.041 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.092 0.034 2.790 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.956 -2.244 3.551 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.200 -1.237 4.769 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.519 1.960 4.265 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.174 3.180 4.978 1.00 0.16 C ATOM 1364 C ARG A 83 -14.529 2.838 6.314 1.00 0.18 C ATOM 1365 O ARG A 83 -13.948 3.698 6.975 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.416 4.046 5.192 1.00 0.19 C ATOM 1367 CG ARG A 83 -17.000 4.596 3.901 1.00 0.33 C ATOM 1368 CD ARG A 83 -16.103 5.664 3.294 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.474 5.977 1.917 1.00 0.52 N ATOM 1370 CZ ARG A 83 -17.158 7.062 1.564 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.554 7.931 2.485 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.448 7.279 0.288 1.00 1.48 N ATOM 0 H ARG A 83 -16.518 1.829 4.108 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.462 3.746 4.378 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.177 3.456 5.704 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.161 4.877 5.850 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.135 3.784 3.187 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.987 5.016 4.097 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -16.158 6.569 3.898 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -15.067 5.325 3.322 1.00 0.63 H new ATOM 0 HE ARG A 83 -16.193 5.326 1.184 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.334 7.768 3.468 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.078 8.762 2.210 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -17.147 6.614 -0.424 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.973 8.111 0.019 1.00 1.48 H new ATOM 1386 N SER A 84 -14.648 1.574 6.709 1.00 0.17 N ATOM 1387 CA SER A 84 -14.064 1.107 7.956 1.00 0.20 C ATOM 1388 C SER A 84 -12.546 1.193 7.888 1.00 0.19 C ATOM 1389 O SER A 84 -11.880 1.412 8.900 1.00 0.23 O ATOM 1390 CB SER A 84 -14.496 -0.332 8.249 1.00 0.22 C ATOM 1391 OG SER A 84 -15.897 -0.415 8.446 1.00 1.09 O ATOM 0 H SER A 84 -15.145 0.856 6.181 1.00 0.17 H new ATOM 0 HA SER A 84 -14.420 1.746 8.764 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.203 -0.978 7.422 1.00 0.22 H new ATOM 0 HB3 SER A 84 -13.979 -0.697 9.137 1.00 0.22 H new ATOM 0 HG SER A 84 -16.357 -0.251 7.596 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.001 1.024 6.682 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.561 1.099 6.485 1.00 0.16 C ATOM 1399 C ALA A 85 -10.087 2.524 6.699 1.00 0.19 C ATOM 1400 O ALA A 85 -9.065 2.764 7.340 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.185 0.625 5.088 1.00 0.14 C ATOM 0 H ALA A 85 -12.536 0.835 5.834 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.075 0.447 7.210 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.104 0.689 4.961 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.506 -0.408 4.956 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.676 1.255 4.346 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.858 3.460 6.152 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.552 4.889 6.262 1.00 0.25 C ATOM 1409 C TYR A 86 -10.042 5.243 7.657 1.00 0.31 C ATOM 1410 O TYR A 86 -10.878 5.390 8.572 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.795 5.729 5.949 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.172 5.771 4.482 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.096 4.636 3.689 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.611 6.952 3.897 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.447 4.672 2.355 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.962 6.998 2.561 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.880 5.855 1.795 1.00 0.34 C ATOM 1418 OH TYR A 86 -13.236 5.896 0.466 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.810 5.375 7.820 1.00 1.02 O ATOM 0 H TYR A 86 -11.706 3.255 5.624 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.769 5.112 5.538 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.637 5.334 6.516 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.626 6.748 6.297 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -11.756 3.707 4.123 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.679 7.848 4.496 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.383 3.778 1.753 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -13.299 7.924 2.120 1.00 0.44 H new ATOM 0 HH TYR A 86 -13.308 4.983 0.118 1.00 0.40 H new