USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 765 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 82 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 170:sc= -0.184 (180deg=-0.259) USER MOD Set 2.1: A 72 THR OG1 : rot 84:sc= 1.14 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -109:sc= 0.247 (180deg=-0.117) USER MOD Set 3.1: A 32 TYR OH : rot -17:sc= 0.555 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -175:sc= -0.411 (180deg=-0.871) USER MOD Set 4.1: A 23 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.7!) USER MOD Set 4.2: A 29 ASN : amide:sc= -0.0688 K(o=-1.6,f=-2.2) USER MOD Set 5.1: A 24 HIS :FLIP no HE2:sc= -2.25 F(o=-4.1!,f=-2.2) USER MOD Set 5.2: A 34 THR OG1 : rot 93:sc= 0 USER MOD Set 6.1: A 22 ASN :FLIP amide:sc= -4.23! C(o=-15!,f=-10!) USER MOD Set 6.2: A 67 HIS : no HE2:sc= -6.25! C(o=-10!,f=-12!) USER MOD Set 7.1: A 1 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 7.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.18 (180deg=0.153) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0697) USER MOD Single : A 15 SER OG : rot -51:sc= -1.88! USER MOD Single : A 30 SER OG : rot 138:sc= 0.0167 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.141 K(o=0.14,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.065 (180deg=-0.932) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.179 F(o=-0.97,f=-0.18) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 61 CYS SG : rot 23:sc= 0.131 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.0338 USER MOD Single : A 76 ASN : amide:sc=-0.00151 X(o=-0.0015,f=-0.0015) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 54:sc= 0.00897 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 305 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.635 3.268 -9.752 1.00 1.83 N ATOM 2 CA MET A 1 -9.107 3.527 -8.384 1.00 1.38 C ATOM 3 C MET A 1 -7.580 3.471 -8.364 1.00 1.20 C ATOM 4 O MET A 1 -6.989 2.404 -8.179 1.00 1.07 O ATOM 5 CB MET A 1 -9.694 2.485 -7.423 1.00 1.81 C ATOM 6 CG MET A 1 -10.706 3.059 -6.445 1.00 2.04 C ATOM 7 SD MET A 1 -11.023 1.959 -5.051 1.00 2.69 S ATOM 8 CE MET A 1 -12.292 2.875 -4.179 1.00 3.17 C ATOM 0 H1 MET A 1 -10.653 3.477 -9.776 1.00 1.83 H new ATOM 0 H2 MET A 1 -9.140 3.876 -10.436 1.00 1.83 H new ATOM 0 H3 MET A 1 -9.480 2.270 -10.001 1.00 1.83 H new ATOM 0 HA MET A 1 -9.402 4.528 -8.070 1.00 1.38 H new ATOM 0 HB2 MET A 1 -10.171 1.695 -8.004 1.00 1.81 H new ATOM 0 HB3 MET A 1 -8.882 2.022 -6.862 1.00 1.81 H new ATOM 0 HG2 MET A 1 -10.343 4.017 -6.072 1.00 2.04 H new ATOM 0 HG3 MET A 1 -11.642 3.255 -6.969 1.00 2.04 H new ATOM 0 HE1 MET A 1 -12.505 2.386 -3.228 1.00 3.17 H new ATOM 0 HE2 MET A 1 -11.945 3.892 -3.995 1.00 3.17 H new ATOM 0 HE3 MET A 1 -13.199 2.905 -4.783 1.00 3.17 H new ATOM 20 N GLU A 2 -6.946 4.628 -8.560 1.00 1.25 N ATOM 21 CA GLU A 2 -5.489 4.712 -8.568 1.00 1.15 C ATOM 22 C GLU A 2 -4.992 5.856 -7.685 1.00 1.12 C ATOM 23 O GLU A 2 -5.431 7.001 -7.818 1.00 1.17 O ATOM 24 CB GLU A 2 -4.962 4.881 -9.997 1.00 1.22 C ATOM 25 CG GLU A 2 -5.688 5.948 -10.801 1.00 1.74 C ATOM 26 CD GLU A 2 -6.667 5.361 -11.800 1.00 1.63 C ATOM 27 OE1 GLU A 2 -6.230 4.977 -12.905 1.00 1.97 O ATOM 28 OE2 GLU A 2 -7.872 5.287 -11.478 1.00 1.88 O ATOM 0 H GLU A 2 -7.420 5.518 -8.715 1.00 1.25 H new ATOM 0 HA GLU A 2 -5.105 3.777 -8.160 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.902 5.130 -9.955 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -5.045 3.928 -10.519 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -6.223 6.610 -10.120 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -4.957 6.559 -11.330 1.00 1.74 H new ATOM 35 N ILE A 3 -4.081 5.521 -6.776 1.00 1.09 N ATOM 36 CA ILE A 3 -3.518 6.498 -5.850 1.00 1.10 C ATOM 37 C ILE A 3 -2.184 7.027 -6.366 1.00 1.02 C ATOM 38 O ILE A 3 -1.154 6.358 -6.256 1.00 1.07 O ATOM 39 CB ILE A 3 -3.314 5.891 -4.443 1.00 1.18 C ATOM 40 CG1 ILE A 3 -4.602 5.229 -3.946 1.00 1.34 C ATOM 41 CG2 ILE A 3 -2.851 6.960 -3.465 1.00 1.22 C ATOM 42 CD1 ILE A 3 -4.417 3.788 -3.523 1.00 1.10 C ATOM 0 H ILE A 3 -3.716 4.576 -6.661 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.231 7.319 -5.778 1.00 1.10 H new ATOM 0 HB ILE A 3 -2.541 5.125 -4.509 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -4.992 5.799 -3.103 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -5.352 5.274 -4.736 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -2.712 6.516 -2.479 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -1.907 7.383 -3.809 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -3.602 7.748 -3.405 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -5.370 3.383 -3.183 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -4.056 3.204 -4.370 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -3.691 3.737 -2.712 1.00 1.10 H new ATOM 54 N LYS A 4 -2.210 8.238 -6.933 1.00 0.98 N ATOM 55 CA LYS A 4 -1.001 8.856 -7.464 1.00 0.96 C ATOM 56 C LYS A 4 -0.459 9.903 -6.491 1.00 0.96 C ATOM 57 O LYS A 4 -0.858 11.070 -6.516 1.00 1.08 O ATOM 58 CB LYS A 4 -1.283 9.488 -8.832 1.00 1.07 C ATOM 59 CG LYS A 4 -0.384 8.964 -9.941 1.00 1.35 C ATOM 60 CD LYS A 4 -0.345 9.917 -11.126 1.00 1.59 C ATOM 61 CE LYS A 4 -1.501 9.668 -12.084 1.00 2.29 C ATOM 62 NZ LYS A 4 -2.273 10.912 -12.363 1.00 2.93 N ATOM 0 H LYS A 4 -3.053 8.803 -7.033 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.244 8.082 -7.589 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -2.323 9.303 -9.101 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -1.160 10.568 -8.756 1.00 1.07 H new ATOM 0 HG2 LYS A 4 0.625 8.821 -9.555 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -0.741 7.988 -10.270 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -0.384 10.946 -10.768 1.00 1.59 H new ATOM 0 HD3 LYS A 4 0.600 9.800 -11.657 1.00 1.59 H new ATOM 0 HE2 LYS A 4 -1.116 9.263 -13.020 1.00 2.29 H new ATOM 0 HE3 LYS A 4 -2.167 8.915 -11.661 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 -3.051 10.698 -13.019 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 -2.663 11.285 -11.474 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 -1.645 11.622 -12.790 1.00 2.93 H new ATOM 76 N LEU A 5 0.430 9.450 -5.615 1.00 0.89 N ATOM 77 CA LEU A 5 1.022 10.313 -4.595 1.00 0.97 C ATOM 78 C LEU A 5 2.294 10.992 -5.102 1.00 0.88 C ATOM 79 O LEU A 5 3.172 10.347 -5.676 1.00 0.82 O ATOM 80 CB LEU A 5 1.317 9.505 -3.326 1.00 1.11 C ATOM 81 CG LEU A 5 0.235 9.569 -2.239 1.00 1.42 C ATOM 82 CD1 LEU A 5 -1.155 9.683 -2.854 1.00 1.50 C ATOM 83 CD2 LEU A 5 0.317 8.347 -1.336 1.00 2.09 C ATOM 0 H LEU A 5 0.759 8.485 -5.589 1.00 0.89 H new ATOM 0 HA LEU A 5 0.301 11.096 -4.360 1.00 0.97 H new ATOM 0 HB2 LEU A 5 1.466 8.462 -3.606 1.00 1.11 H new ATOM 0 HB3 LEU A 5 2.257 9.858 -2.901 1.00 1.11 H new ATOM 0 HG LEU A 5 0.412 10.461 -1.639 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -1.901 9.726 -2.061 1.00 1.50 H new ATOM 0 HD12 LEU A 5 -1.213 10.589 -3.457 1.00 1.50 H new ATOM 0 HD13 LEU A 5 -1.346 8.815 -3.485 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -0.457 8.408 -0.571 1.00 2.09 H new ATOM 0 HD22 LEU A 5 0.170 7.445 -1.930 1.00 2.09 H new ATOM 0 HD23 LEU A 5 1.297 8.312 -0.859 1.00 2.09 H new ATOM 95 N ILE A 6 2.374 12.309 -4.887 1.00 0.95 N ATOM 96 CA ILE A 6 3.526 13.095 -5.322 1.00 0.90 C ATOM 97 C ILE A 6 4.605 13.127 -4.237 1.00 0.93 C ATOM 98 O ILE A 6 4.341 13.503 -3.094 1.00 1.06 O ATOM 99 CB ILE A 6 3.126 14.545 -5.688 1.00 1.04 C ATOM 100 CG1 ILE A 6 4.317 15.284 -6.309 1.00 1.29 C ATOM 101 CG2 ILE A 6 2.610 15.293 -4.464 1.00 1.21 C ATOM 102 CD1 ILE A 6 3.988 16.686 -6.778 1.00 1.94 C ATOM 0 H ILE A 6 1.652 12.851 -4.413 1.00 0.95 H new ATOM 0 HA ILE A 6 3.922 12.609 -6.214 1.00 0.90 H new ATOM 0 HB ILE A 6 2.321 14.503 -6.421 1.00 1.04 H new ATOM 0 HG12 ILE A 6 5.123 15.335 -5.577 1.00 1.29 H new ATOM 0 HG13 ILE A 6 4.691 14.706 -7.154 1.00 1.29 H new ATOM 0 HG21 ILE A 6 2.336 16.309 -4.747 1.00 1.21 H new ATOM 0 HG22 ILE A 6 1.735 14.779 -4.065 1.00 1.21 H new ATOM 0 HG23 ILE A 6 3.389 15.327 -3.703 1.00 1.21 H new ATOM 0 HD11 ILE A 6 4.879 17.145 -7.205 1.00 1.94 H new ATOM 0 HD12 ILE A 6 3.204 16.642 -7.534 1.00 1.94 H new ATOM 0 HD13 ILE A 6 3.643 17.281 -5.932 1.00 1.94 H new ATOM 114 N LYS A 7 5.817 12.710 -4.604 1.00 0.91 N ATOM 115 CA LYS A 7 6.941 12.673 -3.667 1.00 1.06 C ATOM 116 C LYS A 7 7.287 14.068 -3.144 1.00 1.18 C ATOM 117 O LYS A 7 7.710 14.942 -3.906 1.00 1.29 O ATOM 118 CB LYS A 7 8.170 12.045 -4.331 1.00 1.26 C ATOM 119 CG LYS A 7 9.354 11.868 -3.390 1.00 1.78 C ATOM 120 CD LYS A 7 9.177 10.657 -2.486 1.00 2.30 C ATOM 121 CE LYS A 7 9.524 10.982 -1.039 1.00 2.50 C ATOM 122 NZ LYS A 7 10.994 11.128 -0.837 1.00 3.10 N ATOM 0 H LYS A 7 6.046 12.392 -5.546 1.00 0.91 H new ATOM 0 HA LYS A 7 6.638 12.061 -2.818 1.00 1.06 H new ATOM 0 HB2 LYS A 7 7.894 11.073 -4.739 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.476 12.668 -5.171 1.00 1.26 H new ATOM 0 HG2 LYS A 7 10.269 11.757 -3.972 1.00 1.78 H new ATOM 0 HG3 LYS A 7 9.471 12.764 -2.780 1.00 1.78 H new ATOM 0 HD2 LYS A 7 8.146 10.307 -2.544 1.00 2.30 H new ATOM 0 HD3 LYS A 7 9.811 9.843 -2.839 1.00 2.30 H new ATOM 0 HE2 LYS A 7 9.024 11.905 -0.745 1.00 2.50 H new ATOM 0 HE3 LYS A 7 9.145 10.193 -0.389 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 11.187 11.349 0.161 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 11.470 10.239 -1.093 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 11.352 11.898 -1.437 1.00 3.10 H new ATOM 136 N GLY A 8 7.107 14.261 -1.836 1.00 1.38 N ATOM 137 CA GLY A 8 7.406 15.542 -1.214 1.00 1.62 C ATOM 138 C GLY A 8 8.474 15.429 -0.139 1.00 1.78 C ATOM 139 O GLY A 8 9.207 14.439 -0.092 1.00 1.78 O ATOM 0 H GLY A 8 6.758 13.549 -1.195 1.00 1.38 H new ATOM 0 HA2 GLY A 8 7.737 16.245 -1.978 1.00 1.62 H new ATOM 0 HA3 GLY A 8 6.496 15.952 -0.776 1.00 1.62 H new ATOM 143 N PRO A 9 8.587 16.437 0.751 1.00 2.05 N ATOM 144 CA PRO A 9 9.581 16.438 1.836 1.00 2.32 C ATOM 145 C PRO A 9 9.393 15.262 2.797 1.00 2.37 C ATOM 146 O PRO A 9 10.368 14.669 3.262 1.00 2.77 O ATOM 147 CB PRO A 9 9.334 17.767 2.561 1.00 2.68 C ATOM 148 CG PRO A 9 8.575 18.606 1.591 1.00 2.59 C ATOM 149 CD PRO A 9 7.757 17.652 0.771 1.00 2.24 C ATOM 0 HA PRO A 9 10.596 16.335 1.452 1.00 2.32 H new ATOM 0 HB2 PRO A 9 8.766 17.615 3.479 1.00 2.68 H new ATOM 0 HB3 PRO A 9 10.274 18.243 2.842 1.00 2.68 H new ATOM 0 HG2 PRO A 9 7.937 19.321 2.110 1.00 2.59 H new ATOM 0 HG3 PRO A 9 9.252 19.182 0.960 1.00 2.59 H new ATOM 0 HD2 PRO A 9 6.782 17.467 1.221 1.00 2.24 H new ATOM 0 HD3 PRO A 9 7.577 18.035 -0.234 1.00 2.24 H new ATOM 157 N LYS A 10 8.134 14.930 3.080 1.00 2.38 N ATOM 158 CA LYS A 10 7.810 13.822 3.975 1.00 2.57 C ATOM 159 C LYS A 10 7.698 12.515 3.194 1.00 2.26 C ATOM 160 O LYS A 10 8.426 11.558 3.462 1.00 2.45 O ATOM 161 CB LYS A 10 6.504 14.099 4.726 1.00 2.99 C ATOM 162 CG LYS A 10 6.593 15.265 5.699 1.00 3.71 C ATOM 163 CD LYS A 10 5.262 15.992 5.822 1.00 4.04 C ATOM 164 CE LYS A 10 4.951 16.811 4.577 1.00 4.40 C ATOM 165 NZ LYS A 10 5.820 18.018 4.467 1.00 4.92 N ATOM 0 H LYS A 10 7.320 15.414 2.701 1.00 2.38 H new ATOM 0 HA LYS A 10 8.617 13.727 4.702 1.00 2.57 H new ATOM 0 HB2 LYS A 10 5.715 14.301 4.002 1.00 2.99 H new ATOM 0 HB3 LYS A 10 6.213 13.202 5.273 1.00 2.99 H new ATOM 0 HG2 LYS A 10 6.901 14.900 6.679 1.00 3.71 H new ATOM 0 HG3 LYS A 10 7.360 15.963 5.363 1.00 3.71 H new ATOM 0 HD2 LYS A 10 4.465 15.267 5.989 1.00 4.04 H new ATOM 0 HD3 LYS A 10 5.284 16.647 6.693 1.00 4.04 H new ATOM 0 HE2 LYS A 10 5.083 16.188 3.692 1.00 4.40 H new ATOM 0 HE3 LYS A 10 3.905 17.118 4.598 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 5.282 18.794 4.032 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 6.137 18.305 5.415 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 6.648 17.797 3.877 1.00 4.92 H new ATOM 179 N GLY A 11 6.775 12.483 2.231 1.00 2.10 N ATOM 180 CA GLY A 11 6.571 11.292 1.425 1.00 2.10 C ATOM 181 C GLY A 11 5.377 10.483 1.896 1.00 2.08 C ATOM 182 O GLY A 11 4.437 11.041 2.465 1.00 2.30 O ATOM 0 H GLY A 11 6.164 13.265 1.996 1.00 2.10 H new ATOM 0 HA2 GLY A 11 6.426 11.580 0.384 1.00 2.10 H new ATOM 0 HA3 GLY A 11 7.466 10.672 1.462 1.00 2.10 H new ATOM 186 N LEU A 12 5.417 9.169 1.649 1.00 2.47 N ATOM 187 CA LEU A 12 4.332 8.258 2.039 1.00 2.77 C ATOM 188 C LEU A 12 3.712 8.663 3.380 1.00 1.92 C ATOM 189 O LEU A 12 2.529 8.996 3.448 1.00 2.52 O ATOM 190 CB LEU A 12 4.859 6.819 2.123 1.00 3.62 C ATOM 191 CG LEU A 12 5.189 6.155 0.780 1.00 4.87 C ATOM 192 CD1 LEU A 12 6.581 6.553 0.306 1.00 5.33 C ATOM 193 CD2 LEU A 12 5.082 4.643 0.895 1.00 5.70 C ATOM 0 H LEU A 12 6.195 8.709 1.177 1.00 2.47 H new ATOM 0 HA LEU A 12 3.555 8.319 1.277 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.757 6.815 2.740 1.00 3.62 H new ATOM 0 HB3 LEU A 12 4.117 6.209 2.637 1.00 3.62 H new ATOM 0 HG LEU A 12 4.465 6.501 0.042 1.00 4.87 H new ATOM 0 HD11 LEU A 12 6.792 6.070 -0.648 1.00 5.33 H new ATOM 0 HD12 LEU A 12 6.628 7.635 0.183 1.00 5.33 H new ATOM 0 HD13 LEU A 12 7.320 6.239 1.043 1.00 5.33 H new ATOM 0 HD21 LEU A 12 5.319 4.187 -0.066 1.00 5.70 H new ATOM 0 HD22 LEU A 12 5.783 4.285 1.649 1.00 5.70 H new ATOM 0 HD23 LEU A 12 4.067 4.371 1.185 1.00 5.70 H new ATOM 205 N GLY A 13 4.520 8.627 4.441 1.00 1.13 N ATOM 206 CA GLY A 13 4.039 8.994 5.762 1.00 1.11 C ATOM 207 C GLY A 13 3.030 8.007 6.323 1.00 0.96 C ATOM 208 O GLY A 13 1.975 8.406 6.815 1.00 1.03 O ATOM 0 H GLY A 13 5.501 8.349 4.407 1.00 1.13 H new ATOM 0 HA2 GLY A 13 4.886 9.066 6.444 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.583 9.983 5.715 1.00 1.11 H new ATOM 212 N PHE A 14 3.355 6.717 6.240 1.00 0.81 N ATOM 213 CA PHE A 14 2.480 5.654 6.742 1.00 0.71 C ATOM 214 C PHE A 14 3.267 4.351 6.901 1.00 0.56 C ATOM 215 O PHE A 14 4.485 4.339 6.722 1.00 0.52 O ATOM 216 CB PHE A 14 1.257 5.458 5.827 1.00 0.74 C ATOM 217 CG PHE A 14 1.578 5.083 4.405 1.00 0.63 C ATOM 218 CD1 PHE A 14 2.034 3.812 4.093 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.406 6.000 3.378 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.315 3.462 2.788 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.684 5.653 2.069 1.00 1.46 C ATOM 222 CZ PHE A 14 2.139 4.383 1.774 1.00 0.83 C ATOM 0 H PHE A 14 4.224 6.380 5.827 1.00 0.81 H new ATOM 0 HA PHE A 14 2.107 5.952 7.722 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.622 4.683 6.256 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.675 6.380 5.821 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.171 3.086 4.881 1.00 1.27 H new ATOM 0 HD2 PHE A 14 1.051 6.995 3.604 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.672 2.469 2.560 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.545 6.375 1.278 1.00 1.46 H new ATOM 0 HZ PHE A 14 2.357 4.110 0.752 1.00 0.83 H new ATOM 232 N SER A 15 2.579 3.256 7.223 1.00 0.55 N ATOM 233 CA SER A 15 3.228 1.960 7.383 1.00 0.47 C ATOM 234 C SER A 15 2.478 0.904 6.579 1.00 0.47 C ATOM 235 O SER A 15 1.380 1.160 6.081 1.00 0.52 O ATOM 236 CB SER A 15 3.290 1.552 8.855 1.00 0.50 C ATOM 237 OG SER A 15 2.206 2.084 9.585 1.00 0.57 O ATOM 0 H SER A 15 1.571 3.243 7.378 1.00 0.55 H new ATOM 0 HA SER A 15 4.250 2.041 7.012 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.284 0.465 8.933 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.228 1.897 9.290 1.00 0.50 H new ATOM 0 HG SER A 15 2.139 3.047 9.416 1.00 0.57 H new ATOM 243 N ILE A 16 3.068 -0.281 6.453 1.00 0.44 N ATOM 244 CA ILE A 16 2.443 -1.366 5.703 1.00 0.46 C ATOM 245 C ILE A 16 2.932 -2.727 6.179 1.00 0.46 C ATOM 246 O ILE A 16 3.913 -2.826 6.913 1.00 0.45 O ATOM 247 CB ILE A 16 2.722 -1.259 4.176 1.00 0.47 C ATOM 248 CG1 ILE A 16 4.007 -2.002 3.770 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.775 0.194 3.724 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.276 -1.349 4.257 1.00 0.64 C ATOM 0 H ILE A 16 3.974 -0.514 6.859 1.00 0.44 H new ATOM 0 HA ILE A 16 1.372 -1.272 5.882 1.00 0.46 H new ATOM 0 HB ILE A 16 1.889 -1.745 3.668 1.00 0.47 H new ATOM 0 HG12 ILE A 16 3.963 -3.020 4.157 1.00 0.67 H new ATOM 0 HG13 ILE A 16 4.043 -2.076 2.683 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.971 0.235 2.653 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.821 0.676 3.937 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.571 0.713 4.259 1.00 0.57 H new ATOM 0 HD11 ILE A 16 6.135 -1.934 3.929 1.00 0.64 H new ATOM 0 HD12 ILE A 16 5.346 -0.341 3.849 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.265 -1.299 5.346 1.00 0.64 H new ATOM 262 N ALA A 17 2.244 -3.760 5.713 1.00 0.51 N ATOM 263 CA ALA A 17 2.575 -5.145 6.005 1.00 0.55 C ATOM 264 C ALA A 17 2.481 -5.923 4.695 1.00 0.73 C ATOM 265 O ALA A 17 1.939 -5.404 3.728 1.00 1.19 O ATOM 266 CB ALA A 17 1.644 -5.711 7.063 1.00 0.71 C ATOM 0 H ALA A 17 1.427 -3.656 5.112 1.00 0.51 H new ATOM 0 HA ALA A 17 3.584 -5.224 6.410 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.911 -6.748 7.265 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.737 -5.127 7.979 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.615 -5.664 6.705 1.00 0.71 H new ATOM 272 N GLY A 18 2.988 -7.149 4.638 1.00 0.60 N ATOM 273 CA GLY A 18 2.879 -7.893 3.388 1.00 0.77 C ATOM 274 C GLY A 18 3.765 -9.119 3.288 1.00 0.85 C ATOM 275 O GLY A 18 4.975 -8.994 3.423 1.00 1.29 O ATOM 0 H GLY A 18 3.458 -7.632 5.404 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.842 -8.202 3.257 1.00 0.77 H new ATOM 0 HA3 GLY A 18 3.119 -7.223 2.563 1.00 0.77 H new ATOM 279 N GLY A 19 3.202 -10.298 3.014 1.00 1.01 N ATOM 280 CA GLY A 19 4.040 -11.480 2.868 1.00 1.61 C ATOM 281 C GLY A 19 3.844 -12.514 3.957 1.00 0.89 C ATOM 282 O GLY A 19 3.442 -12.187 5.075 1.00 0.76 O ATOM 0 H GLY A 19 2.201 -10.454 2.893 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.834 -11.941 1.902 1.00 1.61 H new ATOM 0 HA3 GLY A 19 5.086 -11.172 2.858 1.00 1.61 H new ATOM 286 N VAL A 20 4.153 -13.770 3.625 1.00 0.97 N ATOM 287 CA VAL A 20 4.034 -14.871 4.577 1.00 1.05 C ATOM 288 C VAL A 20 5.054 -14.701 5.705 1.00 1.18 C ATOM 289 O VAL A 20 6.128 -14.132 5.496 1.00 1.35 O ATOM 290 CB VAL A 20 4.239 -16.244 3.895 1.00 1.68 C ATOM 291 CG1 VAL A 20 4.002 -17.379 4.881 1.00 1.76 C ATOM 292 CG2 VAL A 20 3.324 -16.386 2.686 1.00 2.72 C ATOM 0 H VAL A 20 4.488 -14.047 2.702 1.00 0.97 H new ATOM 0 HA VAL A 20 3.024 -14.845 4.985 1.00 1.05 H new ATOM 0 HB VAL A 20 5.272 -16.301 3.552 1.00 1.68 H new ATOM 0 HG11 VAL A 20 4.152 -18.335 4.379 1.00 1.76 H new ATOM 0 HG12 VAL A 20 4.703 -17.292 5.711 1.00 1.76 H new ATOM 0 HG13 VAL A 20 2.981 -17.325 5.260 1.00 1.76 H new ATOM 0 HG21 VAL A 20 3.484 -17.359 2.221 1.00 2.72 H new ATOM 0 HG22 VAL A 20 2.285 -16.303 3.004 1.00 2.72 H new ATOM 0 HG23 VAL A 20 3.547 -15.598 1.966 1.00 2.72 H new ATOM 302 N GLY A 21 4.705 -15.172 6.903 1.00 1.30 N ATOM 303 CA GLY A 21 5.600 -15.032 8.046 1.00 1.54 C ATOM 304 C GLY A 21 5.478 -13.663 8.710 1.00 1.24 C ATOM 305 O GLY A 21 5.871 -13.488 9.865 1.00 1.56 O ATOM 0 H GLY A 21 3.824 -15.646 7.103 1.00 1.30 H new ATOM 0 HA2 GLY A 21 5.377 -15.809 8.777 1.00 1.54 H new ATOM 0 HA3 GLY A 21 6.629 -15.186 7.721 1.00 1.54 H new ATOM 309 N ASN A 22 4.904 -12.704 7.977 1.00 0.73 N ATOM 310 CA ASN A 22 4.685 -11.350 8.469 1.00 0.61 C ATOM 311 C ASN A 22 3.295 -10.855 8.018 1.00 0.65 C ATOM 312 O ASN A 22 3.034 -9.651 7.979 1.00 0.67 O ATOM 313 CB ASN A 22 5.781 -10.403 7.942 1.00 0.47 C ATOM 314 CG ASN A 22 5.620 -10.105 6.474 1.00 0.74 C ATOM 315 OD1 ASN A 22 4.959 -9.005 6.180 1.00 1.27 O flip ATOM 316 ND2 ASN A 22 6.086 -10.856 5.617 1.00 1.63 N flip ATOM 0 H ASN A 22 4.578 -12.851 7.022 1.00 0.73 H new ATOM 0 HA ASN A 22 4.729 -11.357 9.558 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.754 -9.470 8.505 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.759 -10.851 8.115 1.00 0.47 H new ATOM 0 HD21 ASN A 22 6.591 -11.697 5.896 1.00 1.63 H new ATOM 0 HD22 ASN A 22 5.967 -10.637 4.628 1.00 1.63 H new ATOM 323 N GLN A 23 2.420 -11.807 7.648 1.00 0.77 N ATOM 324 CA GLN A 23 1.069 -11.517 7.156 1.00 0.94 C ATOM 325 C GLN A 23 0.311 -10.501 8.015 1.00 0.88 C ATOM 326 O GLN A 23 0.358 -10.545 9.246 1.00 0.87 O ATOM 327 CB GLN A 23 0.265 -12.817 7.068 1.00 1.19 C ATOM 328 CG GLN A 23 -0.907 -12.750 6.100 1.00 1.42 C ATOM 329 CD GLN A 23 -1.714 -14.035 6.070 1.00 1.55 C ATOM 330 OE1 GLN A 23 -1.919 -14.627 5.010 1.00 1.62 O ATOM 331 NE2 GLN A 23 -2.183 -14.473 7.236 1.00 2.34 N ATOM 0 H GLN A 23 2.635 -12.803 7.684 1.00 0.77 H new ATOM 0 HA GLN A 23 1.185 -11.067 6.170 1.00 0.94 H new ATOM 0 HB2 GLN A 23 0.930 -13.625 6.763 1.00 1.19 H new ATOM 0 HB3 GLN A 23 -0.109 -13.070 8.060 1.00 1.19 H new ATOM 0 HG2 GLN A 23 -1.559 -11.923 6.381 1.00 1.42 H new ATOM 0 HG3 GLN A 23 -0.534 -12.536 5.098 1.00 1.42 H new ATOM 0 HE21 GLN A 23 -1.990 -13.952 8.091 1.00 2.34 H new ATOM 0 HE22 GLN A 23 -2.735 -15.330 7.274 1.00 2.34 H new ATOM 340 N HIS A 24 -0.396 -9.592 7.336 1.00 0.86 N ATOM 341 CA HIS A 24 -1.189 -8.550 7.995 1.00 0.83 C ATOM 342 C HIS A 24 -2.653 -8.966 8.131 1.00 0.84 C ATOM 343 O HIS A 24 -3.334 -8.570 9.080 1.00 0.92 O ATOM 344 CB HIS A 24 -1.116 -7.251 7.189 1.00 0.85 C ATOM 345 CG HIS A 24 -1.752 -6.085 7.858 1.00 0.83 C ATOM 346 ND1 HIS A 24 -2.981 -5.550 7.704 1.00 0.90 N flip ATOM 347 CD2 HIS A 24 -1.107 -5.309 8.791 1.00 0.81 C flip ATOM 348 CE1 HIS A 24 -3.058 -4.466 8.540 1.00 0.88 C flip ATOM 349 NE2 HIS A 24 -1.912 -4.345 9.183 1.00 0.82 N flip ATOM 0 H HIS A 24 -0.435 -9.558 6.317 1.00 0.86 H new ATOM 0 HA HIS A 24 -0.774 -8.399 8.992 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.070 -7.017 6.991 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -1.595 -7.408 6.223 1.00 0.85 H new ATOM 0 HD1 HIS A 24 -3.715 -5.889 7.082 1.00 0.90 H new ATOM 0 HD2 HIS A 24 -0.099 -5.466 9.146 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -3.915 -3.818 8.653 1.00 0.88 H new ATOM 358 N ILE A 25 -3.132 -9.758 7.171 1.00 0.80 N ATOM 359 CA ILE A 25 -4.516 -10.220 7.170 1.00 0.86 C ATOM 360 C ILE A 25 -4.588 -11.729 6.940 1.00 0.81 C ATOM 361 O ILE A 25 -3.994 -12.246 5.991 1.00 0.80 O ATOM 362 CB ILE A 25 -5.345 -9.490 6.088 1.00 0.95 C ATOM 363 CG1 ILE A 25 -5.200 -7.971 6.231 1.00 1.01 C ATOM 364 CG2 ILE A 25 -6.810 -9.893 6.167 1.00 1.51 C ATOM 365 CD1 ILE A 25 -5.792 -7.415 7.512 1.00 1.16 C ATOM 0 H ILE A 25 -2.578 -10.093 6.383 1.00 0.80 H new ATOM 0 HA ILE A 25 -4.937 -9.991 8.149 1.00 0.86 H new ATOM 0 HB ILE A 25 -4.961 -9.784 5.111 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -4.142 -7.711 6.188 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -5.681 -7.488 5.380 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.374 -9.367 5.397 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -6.900 -10.968 6.013 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.207 -9.633 7.148 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -5.650 -6.335 7.540 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -6.857 -7.642 7.549 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -5.295 -7.868 8.369 1.00 1.16 H new ATOM 377 N PRO A 26 -5.320 -12.460 7.808 1.00 0.82 N ATOM 378 CA PRO A 26 -5.465 -13.918 7.696 1.00 0.82 C ATOM 379 C PRO A 26 -6.033 -14.346 6.345 1.00 0.86 C ATOM 380 O PRO A 26 -7.183 -14.041 6.018 1.00 0.95 O ATOM 381 CB PRO A 26 -6.435 -14.284 8.831 1.00 0.88 C ATOM 382 CG PRO A 26 -7.076 -12.999 9.232 1.00 0.98 C ATOM 383 CD PRO A 26 -6.061 -11.927 8.963 1.00 0.87 C ATOM 0 HA PRO A 26 -4.502 -14.423 7.771 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -7.179 -15.006 8.495 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.906 -14.738 9.669 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -7.988 -12.824 8.662 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -7.356 -13.015 10.285 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.533 -10.972 8.734 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -5.409 -11.763 9.821 1.00 0.87 H new ATOM 391 N GLY A 27 -5.214 -15.051 5.563 1.00 0.85 N ATOM 392 CA GLY A 27 -5.640 -15.513 4.253 1.00 0.94 C ATOM 393 C GLY A 27 -5.027 -14.715 3.115 1.00 0.92 C ATOM 394 O GLY A 27 -4.542 -15.293 2.141 1.00 1.06 O ATOM 0 H GLY A 27 -4.261 -15.310 5.816 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -5.372 -16.563 4.139 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -6.726 -15.453 4.188 1.00 0.94 H new ATOM 398 N ASP A 28 -5.058 -13.386 3.232 1.00 0.80 N ATOM 399 CA ASP A 28 -4.511 -12.512 2.196 1.00 0.80 C ATOM 400 C ASP A 28 -3.132 -11.976 2.582 1.00 0.65 C ATOM 401 O ASP A 28 -3.009 -11.128 3.469 1.00 0.57 O ATOM 402 CB ASP A 28 -5.472 -11.347 1.924 1.00 0.91 C ATOM 403 CG ASP A 28 -5.961 -11.307 0.484 1.00 1.08 C ATOM 404 OD1 ASP A 28 -6.220 -12.386 -0.092 1.00 1.68 O ATOM 405 OD2 ASP A 28 -6.092 -10.193 -0.066 1.00 1.48 O ATOM 0 H ASP A 28 -5.455 -12.894 4.032 1.00 0.80 H new ATOM 0 HA ASP A 28 -4.397 -13.105 1.288 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.330 -11.427 2.592 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -4.972 -10.407 2.159 1.00 0.91 H new ATOM 410 N ASN A 29 -2.098 -12.476 1.899 1.00 0.69 N ATOM 411 CA ASN A 29 -0.718 -12.051 2.154 1.00 0.63 C ATOM 412 C ASN A 29 -0.372 -10.763 1.387 1.00 0.59 C ATOM 413 O ASN A 29 0.805 -10.470 1.156 1.00 0.65 O ATOM 414 CB ASN A 29 0.260 -13.166 1.770 1.00 0.79 C ATOM 415 CG ASN A 29 0.143 -14.379 2.675 1.00 1.36 C ATOM 416 OD1 ASN A 29 0.793 -14.452 3.718 1.00 2.11 O ATOM 417 ND2 ASN A 29 -0.690 -15.338 2.283 1.00 1.98 N ATOM 0 H ASN A 29 -2.191 -13.177 1.164 1.00 0.69 H new ATOM 0 HA ASN A 29 -0.628 -11.843 3.220 1.00 0.63 H new ATOM 0 HB2 ASN A 29 0.076 -13.467 0.739 1.00 0.79 H new ATOM 0 HB3 ASN A 29 1.279 -12.782 1.813 1.00 0.79 H new ATOM 0 HD21 ASN A 29 -0.810 -16.175 2.854 1.00 1.98 H new ATOM 0 HD22 ASN A 29 -1.210 -15.237 1.411 1.00 1.98 H new ATOM 424 N SER A 30 -1.398 -9.991 0.999 1.00 0.56 N ATOM 425 CA SER A 30 -1.200 -8.737 0.268 1.00 0.56 C ATOM 426 C SER A 30 -0.517 -7.693 1.148 1.00 0.55 C ATOM 427 O SER A 30 -0.211 -7.956 2.315 1.00 0.55 O ATOM 428 CB SER A 30 -2.540 -8.187 -0.237 1.00 0.60 C ATOM 429 OG SER A 30 -3.493 -9.221 -0.410 1.00 1.39 O ATOM 0 H SER A 30 -2.376 -10.217 1.182 1.00 0.56 H new ATOM 0 HA SER A 30 -0.557 -8.950 -0.586 1.00 0.56 H new ATOM 0 HB2 SER A 30 -2.923 -7.452 0.471 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.388 -7.668 -1.184 1.00 0.60 H new ATOM 0 HG SER A 30 -4.364 -8.923 -0.073 1.00 1.39 H new ATOM 435 N ILE A 31 -0.293 -6.499 0.594 1.00 0.55 N ATOM 436 CA ILE A 31 0.341 -5.429 1.359 1.00 0.55 C ATOM 437 C ILE A 31 -0.709 -4.451 1.907 1.00 0.57 C ATOM 438 O ILE A 31 -1.333 -3.705 1.157 1.00 0.65 O ATOM 439 CB ILE A 31 1.416 -4.667 0.535 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.414 -5.632 -0.138 1.00 0.62 C ATOM 441 CG2 ILE A 31 2.158 -3.672 1.419 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.431 -7.043 0.422 1.00 0.80 C ATOM 0 H ILE A 31 -0.537 -6.253 -0.365 1.00 0.55 H new ATOM 0 HA ILE A 31 0.853 -5.903 2.197 1.00 0.55 H new ATOM 0 HB ILE A 31 0.898 -4.124 -0.255 1.00 0.53 H new ATOM 0 HG12 ILE A 31 2.183 -5.684 -1.202 1.00 0.62 H new ATOM 0 HG13 ILE A 31 3.416 -5.212 -0.050 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.907 -3.147 0.826 1.00 0.60 H new ATOM 0 HG22 ILE A 31 1.450 -2.952 1.830 1.00 0.60 H new ATOM 0 HG23 ILE A 31 2.648 -4.204 2.234 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.165 -7.640 -0.119 1.00 0.80 H new ATOM 0 HD12 ILE A 31 2.696 -7.012 1.479 1.00 0.80 H new ATOM 0 HD13 ILE A 31 1.444 -7.491 0.309 1.00 0.80 H new ATOM 454 N TYR A 32 -0.903 -4.485 3.231 1.00 0.60 N ATOM 455 CA TYR A 32 -1.888 -3.629 3.904 1.00 0.62 C ATOM 456 C TYR A 32 -1.230 -2.536 4.746 1.00 0.59 C ATOM 457 O TYR A 32 -0.183 -2.754 5.351 1.00 0.61 O ATOM 458 CB TYR A 32 -2.779 -4.471 4.816 1.00 0.69 C ATOM 459 CG TYR A 32 -3.719 -5.400 4.087 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.236 -6.495 3.384 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.090 -5.186 4.112 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.093 -7.350 2.723 1.00 1.30 C ATOM 463 CE2 TYR A 32 -5.956 -6.036 3.459 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.454 -7.119 2.764 1.00 0.80 C ATOM 465 OH TYR A 32 -6.312 -7.973 2.109 1.00 0.86 O ATOM 0 H TYR A 32 -0.388 -5.100 3.861 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.477 -3.153 3.120 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.145 -5.061 5.478 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.365 -3.803 5.448 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.172 -6.680 3.354 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.485 -4.339 4.653 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -3.702 -8.195 2.176 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.021 -5.857 3.490 1.00 1.38 H new ATOM 0 HH TYR A 32 -5.809 -8.507 1.459 1.00 0.86 H new ATOM 475 N VAL A 33 -1.882 -1.374 4.810 1.00 0.57 N ATOM 476 CA VAL A 33 -1.394 -0.250 5.610 1.00 0.55 C ATOM 477 C VAL A 33 -1.864 -0.405 7.059 1.00 0.59 C ATOM 478 O VAL A 33 -3.057 -0.583 7.313 1.00 0.65 O ATOM 479 CB VAL A 33 -1.881 1.106 5.047 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.426 2.263 5.930 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.388 1.297 3.619 1.00 0.56 C ATOM 0 H VAL A 33 -2.754 -1.186 4.315 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.305 -0.258 5.569 1.00 0.55 H new ATOM 0 HB VAL A 33 -2.971 1.097 5.041 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -1.783 3.203 5.510 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -1.832 2.137 6.933 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.337 2.277 5.979 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -1.739 2.256 3.238 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.298 1.278 3.605 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -1.773 0.494 2.991 1.00 0.56 H new ATOM 491 N THR A 34 -0.919 -0.377 8.000 1.00 0.62 N ATOM 492 CA THR A 34 -1.240 -0.558 9.419 1.00 0.71 C ATOM 493 C THR A 34 -1.312 0.757 10.211 1.00 0.72 C ATOM 494 O THR A 34 -2.002 0.818 11.230 1.00 0.84 O ATOM 495 CB THR A 34 -0.217 -1.496 10.070 1.00 0.74 C ATOM 496 OG1 THR A 34 -0.598 -1.814 11.398 1.00 1.39 O ATOM 497 CG2 THR A 34 1.185 -0.925 10.120 1.00 1.29 C ATOM 0 H THR A 34 0.072 -0.231 7.808 1.00 0.62 H new ATOM 0 HA THR A 34 -2.238 -0.995 9.452 1.00 0.71 H new ATOM 0 HB THR A 34 -0.205 -2.383 9.437 1.00 0.74 H new ATOM 0 HG1 THR A 34 -1.126 -2.640 11.398 1.00 1.39 H new ATOM 0 HG21 THR A 34 1.854 -1.644 10.593 1.00 1.29 H new ATOM 0 HG22 THR A 34 1.531 -0.720 9.107 1.00 1.29 H new ATOM 0 HG23 THR A 34 1.181 0.000 10.696 1.00 1.29 H new ATOM 505 N LYS A 35 -0.609 1.802 9.758 1.00 0.65 N ATOM 506 CA LYS A 35 -0.621 3.089 10.468 1.00 0.71 C ATOM 507 C LYS A 35 -0.242 4.251 9.552 1.00 0.69 C ATOM 508 O LYS A 35 0.862 4.288 9.013 1.00 0.62 O ATOM 509 CB LYS A 35 0.350 3.059 11.657 1.00 0.72 C ATOM 510 CG LYS A 35 -0.015 2.055 12.741 1.00 1.32 C ATOM 511 CD LYS A 35 0.907 2.173 13.946 1.00 1.46 C ATOM 512 CE LYS A 35 0.123 2.292 15.245 1.00 2.02 C ATOM 513 NZ LYS A 35 0.553 3.467 16.052 1.00 2.54 N ATOM 0 H LYS A 35 -0.033 1.785 8.917 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.640 3.243 10.822 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.350 2.830 11.288 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.394 4.054 12.100 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -1.047 2.216 13.054 1.00 1.32 H new ATOM 0 HG3 LYS A 35 0.042 1.045 12.336 1.00 1.32 H new ATOM 0 HD2 LYS A 35 1.558 1.300 13.993 1.00 1.46 H new ATOM 0 HD3 LYS A 35 1.550 3.045 13.828 1.00 1.46 H new ATOM 0 HE2 LYS A 35 -0.940 2.377 15.020 1.00 2.02 H new ATOM 0 HE3 LYS A 35 0.253 1.382 15.831 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -0.006 3.510 16.928 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 1.561 3.375 16.289 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 0.405 4.338 15.503 1.00 2.54 H new ATOM 527 N ILE A 36 -1.154 5.209 9.397 1.00 0.86 N ATOM 528 CA ILE A 36 -0.892 6.378 8.562 1.00 0.92 C ATOM 529 C ILE A 36 -0.470 7.575 9.421 1.00 0.98 C ATOM 530 O ILE A 36 -1.213 8.006 10.306 1.00 1.06 O ATOM 531 CB ILE A 36 -2.121 6.761 7.710 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.556 5.576 6.838 1.00 1.40 C ATOM 533 CG2 ILE A 36 -1.808 7.976 6.846 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.518 5.952 5.731 1.00 1.35 C ATOM 0 H ILE A 36 -2.075 5.199 9.836 1.00 0.86 H new ATOM 0 HA ILE A 36 -0.078 6.112 7.887 1.00 0.92 H new ATOM 0 HB ILE A 36 -2.943 7.016 8.378 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.671 5.117 6.397 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -3.023 4.823 7.472 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.684 8.234 6.251 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.542 8.818 7.485 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -0.974 7.746 6.183 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -3.779 5.062 5.158 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.421 6.383 6.164 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -3.047 6.682 5.072 1.00 1.35 H new ATOM 546 N ILE A 37 0.725 8.106 9.151 1.00 1.03 N ATOM 547 CA ILE A 37 1.253 9.253 9.891 1.00 1.10 C ATOM 548 C ILE A 37 0.555 10.548 9.464 1.00 1.10 C ATOM 549 O ILE A 37 0.161 10.698 8.305 1.00 1.37 O ATOM 550 CB ILE A 37 2.786 9.387 9.683 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.531 8.345 10.523 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.274 10.789 10.025 1.00 1.32 C ATOM 553 CD1 ILE A 37 3.663 6.999 9.845 1.00 1.68 C ATOM 0 H ILE A 37 1.347 7.757 8.422 1.00 1.03 H new ATOM 0 HA ILE A 37 1.056 9.082 10.949 1.00 1.10 H new ATOM 0 HB ILE A 37 2.996 9.208 8.628 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.526 8.724 10.756 1.00 1.47 H new ATOM 0 HG13 ILE A 37 3.009 8.215 11.471 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.351 10.848 9.868 1.00 1.32 H new ATOM 0 HG22 ILE A 37 2.774 11.515 9.384 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.047 11.009 11.068 1.00 1.32 H new ATOM 0 HD11 ILE A 37 4.201 6.313 10.499 1.00 1.68 H new ATOM 0 HD12 ILE A 37 2.671 6.598 9.636 1.00 1.68 H new ATOM 0 HD13 ILE A 37 4.212 7.115 8.910 1.00 1.68 H new ATOM 565 N GLU A 38 0.408 11.480 10.410 1.00 0.96 N ATOM 566 CA GLU A 38 -0.242 12.764 10.137 1.00 0.99 C ATOM 567 C GLU A 38 0.532 13.563 9.088 1.00 1.31 C ATOM 568 O GLU A 38 1.763 13.521 9.046 1.00 1.64 O ATOM 569 CB GLU A 38 -0.373 13.586 11.424 1.00 1.23 C ATOM 570 CG GLU A 38 -1.594 13.223 12.256 1.00 1.71 C ATOM 571 CD GLU A 38 -1.756 14.113 13.473 1.00 2.41 C ATOM 572 OE1 GLU A 38 -2.424 15.162 13.356 1.00 2.79 O ATOM 573 OE2 GLU A 38 -1.215 13.762 14.542 1.00 3.11 O ATOM 0 H GLU A 38 0.730 11.369 11.371 1.00 0.96 H new ATOM 0 HA GLU A 38 -1.237 12.554 9.746 1.00 0.99 H new ATOM 0 HB2 GLU A 38 0.523 13.445 12.028 1.00 1.23 H new ATOM 0 HB3 GLU A 38 -0.421 14.644 11.166 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -2.487 13.297 11.635 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -1.514 12.185 12.578 1.00 1.71 H new ATOM 580 N GLY A 39 -0.204 14.291 8.248 1.00 1.69 N ATOM 581 CA GLY A 39 0.413 15.097 7.204 1.00 2.36 C ATOM 582 C GLY A 39 1.186 14.277 6.178 1.00 2.68 C ATOM 583 O GLY A 39 2.029 14.819 5.460 1.00 3.15 O ATOM 0 H GLY A 39 -1.223 14.337 8.273 1.00 1.69 H new ATOM 0 HA2 GLY A 39 -0.361 15.668 6.692 1.00 2.36 H new ATOM 0 HA3 GLY A 39 1.089 15.818 7.664 1.00 2.36 H new ATOM 587 N GLY A 40 0.908 12.971 6.109 1.00 2.49 N ATOM 588 CA GLY A 40 1.598 12.108 5.164 1.00 2.80 C ATOM 589 C GLY A 40 0.877 11.999 3.831 1.00 2.61 C ATOM 590 O GLY A 40 -0.279 12.403 3.711 1.00 2.37 O ATOM 0 H GLY A 40 0.217 12.499 6.692 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.605 12.491 4.997 1.00 2.80 H new ATOM 0 HA3 GLY A 40 1.703 11.113 5.597 1.00 2.80 H new ATOM 594 N ALA A 41 1.572 11.456 2.829 1.00 2.83 N ATOM 595 CA ALA A 41 1.012 11.290 1.485 1.00 2.70 C ATOM 596 C ALA A 41 -0.401 10.702 1.522 1.00 2.11 C ATOM 597 O ALA A 41 -1.333 11.280 0.963 1.00 2.06 O ATOM 598 CB ALA A 41 1.925 10.410 0.643 1.00 3.00 C ATOM 0 H ALA A 41 2.531 11.121 2.924 1.00 2.83 H new ATOM 0 HA ALA A 41 0.943 12.279 1.033 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.500 10.293 -0.354 1.00 3.00 H new ATOM 0 HB2 ALA A 41 2.908 10.874 0.566 1.00 3.00 H new ATOM 0 HB3 ALA A 41 2.022 9.431 1.113 1.00 3.00 H new ATOM 604 N ALA A 42 -0.551 9.553 2.185 1.00 1.82 N ATOM 605 CA ALA A 42 -1.850 8.890 2.295 1.00 1.36 C ATOM 606 C ALA A 42 -2.825 9.709 3.141 1.00 1.16 C ATOM 607 O ALA A 42 -3.960 9.950 2.730 1.00 1.02 O ATOM 608 CB ALA A 42 -1.684 7.494 2.881 1.00 1.50 C ATOM 0 H ALA A 42 0.212 9.063 2.653 1.00 1.82 H new ATOM 0 HA ALA A 42 -2.268 8.806 1.292 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -2.659 7.013 2.957 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -1.037 6.902 2.234 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.237 7.566 3.873 1.00 1.50 H new ATOM 614 N HIS A 43 -2.371 10.128 4.325 1.00 1.34 N ATOM 615 CA HIS A 43 -3.196 10.919 5.242 1.00 1.21 C ATOM 616 C HIS A 43 -3.782 12.154 4.551 1.00 1.08 C ATOM 617 O HIS A 43 -4.986 12.403 4.626 1.00 1.15 O ATOM 618 CB HIS A 43 -2.363 11.347 6.452 1.00 1.39 C ATOM 619 CG HIS A 43 -3.139 12.092 7.491 1.00 1.16 C ATOM 620 ND1 HIS A 43 -3.257 13.466 7.499 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.829 11.650 8.569 1.00 1.15 C ATOM 622 CE1 HIS A 43 -3.983 13.837 8.537 1.00 1.22 C ATOM 623 NE2 HIS A 43 -4.343 12.755 9.202 1.00 1.28 N ATOM 0 H HIS A 43 -1.432 9.932 4.672 1.00 1.34 H new ATOM 0 HA HIS A 43 -4.026 10.293 5.570 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -1.922 10.461 6.908 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.539 11.973 6.110 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -3.952 10.621 8.874 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -4.239 14.853 8.798 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.911 12.742 10.049 1.00 1.28 H new ATOM 632 N LYS A 44 -2.919 12.922 3.884 1.00 1.15 N ATOM 633 CA LYS A 44 -3.340 14.135 3.182 1.00 1.31 C ATOM 634 C LYS A 44 -4.256 13.805 2.001 1.00 1.39 C ATOM 635 O LYS A 44 -5.235 14.510 1.755 1.00 1.46 O ATOM 636 CB LYS A 44 -2.118 14.919 2.695 1.00 1.74 C ATOM 637 CG LYS A 44 -1.351 15.603 3.815 1.00 1.89 C ATOM 638 CD LYS A 44 -0.297 16.556 3.273 1.00 2.36 C ATOM 639 CE LYS A 44 0.309 17.409 4.377 1.00 2.17 C ATOM 640 NZ LYS A 44 0.658 18.777 3.900 1.00 2.66 N ATOM 0 H LYS A 44 -1.921 12.724 3.815 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.902 14.749 3.885 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -1.447 14.241 2.168 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -2.442 15.671 1.975 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -2.046 16.152 4.450 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -0.873 14.850 4.442 1.00 1.89 H new ATOM 0 HD2 LYS A 44 0.490 15.986 2.780 1.00 2.36 H new ATOM 0 HD3 LYS A 44 -0.744 17.202 2.517 1.00 2.36 H new ATOM 0 HE2 LYS A 44 -0.395 17.483 5.205 1.00 2.17 H new ATOM 0 HE3 LYS A 44 1.204 16.920 4.762 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 1.068 19.324 4.684 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 1.350 18.709 3.127 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 -0.200 19.254 3.556 1.00 2.66 H new ATOM 654 N ASP A 45 -3.933 12.730 1.278 1.00 1.59 N ATOM 655 CA ASP A 45 -4.731 12.305 0.126 1.00 1.86 C ATOM 656 C ASP A 45 -6.154 11.935 0.550 1.00 1.89 C ATOM 657 O ASP A 45 -7.126 12.394 -0.051 1.00 1.97 O ATOM 658 CB ASP A 45 -4.064 11.113 -0.572 1.00 2.33 C ATOM 659 CG ASP A 45 -4.565 10.905 -1.988 1.00 2.69 C ATOM 660 OD1 ASP A 45 -4.443 11.842 -2.807 1.00 2.80 O ATOM 661 OD2 ASP A 45 -5.075 9.805 -2.282 1.00 3.24 O ATOM 0 H ASP A 45 -3.125 12.138 1.470 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.788 13.140 -0.572 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -2.985 11.267 -0.592 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.246 10.209 0.009 1.00 2.33 H new ATOM 666 N GLY A 46 -6.262 11.105 1.591 1.00 2.08 N ATOM 667 CA GLY A 46 -7.566 10.686 2.086 1.00 2.49 C ATOM 668 C GLY A 46 -8.058 9.387 1.463 1.00 2.11 C ATOM 669 O GLY A 46 -8.838 8.661 2.080 1.00 2.47 O ATOM 0 H GLY A 46 -5.468 10.716 2.100 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.514 10.565 3.168 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -8.293 11.474 1.888 1.00 2.49 H new ATOM 673 N LYS A 47 -7.606 9.095 0.239 1.00 1.87 N ATOM 674 CA LYS A 47 -8.009 7.877 -0.462 1.00 2.32 C ATOM 675 C LYS A 47 -7.562 6.627 0.297 1.00 1.93 C ATOM 676 O LYS A 47 -8.339 5.687 0.469 1.00 1.95 O ATOM 677 CB LYS A 47 -7.427 7.860 -1.880 1.00 2.80 C ATOM 678 CG LYS A 47 -8.294 7.126 -2.891 1.00 3.64 C ATOM 679 CD LYS A 47 -9.168 8.089 -3.680 1.00 4.17 C ATOM 680 CE LYS A 47 -10.646 7.761 -3.526 1.00 5.03 C ATOM 681 NZ LYS A 47 -11.153 8.087 -2.163 1.00 5.67 N ATOM 0 H LYS A 47 -6.961 9.687 -0.285 1.00 1.87 H new ATOM 0 HA LYS A 47 -9.097 7.872 -0.520 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -7.284 8.887 -2.216 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -6.442 7.393 -1.853 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -7.659 6.564 -3.576 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -8.924 6.402 -2.374 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -8.984 9.109 -3.341 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -8.894 8.049 -4.734 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -11.219 8.316 -4.268 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -10.805 6.702 -3.728 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -12.181 8.243 -2.203 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -10.947 7.298 -1.518 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -10.686 8.949 -1.816 1.00 5.67 H new ATOM 695 N LEU A 48 -6.305 6.624 0.747 1.00 1.68 N ATOM 696 CA LEU A 48 -5.758 5.487 1.482 1.00 1.38 C ATOM 697 C LEU A 48 -6.138 5.545 2.961 1.00 1.28 C ATOM 698 O LEU A 48 -5.833 6.515 3.658 1.00 1.35 O ATOM 699 CB LEU A 48 -4.233 5.425 1.335 1.00 1.19 C ATOM 700 CG LEU A 48 -3.625 4.023 1.456 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.263 3.967 0.781 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.515 3.611 2.917 1.00 1.06 C ATOM 0 H LEU A 48 -5.650 7.395 0.615 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.190 4.583 1.053 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -3.960 5.840 0.365 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -3.784 6.066 2.094 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.286 3.320 0.950 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -1.849 2.963 0.879 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.370 4.214 -0.275 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.592 4.683 1.255 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -3.081 2.613 2.982 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -2.878 4.319 3.448 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.507 3.606 3.369 1.00 1.06 H new ATOM 714 N GLN A 49 -6.797 4.485 3.429 1.00 1.21 N ATOM 715 CA GLN A 49 -7.221 4.371 4.819 1.00 1.17 C ATOM 716 C GLN A 49 -6.795 3.017 5.390 1.00 1.09 C ATOM 717 O GLN A 49 -6.784 2.014 4.675 1.00 1.14 O ATOM 718 CB GLN A 49 -8.741 4.544 4.930 1.00 1.30 C ATOM 719 CG GLN A 49 -9.549 3.433 4.269 1.00 1.46 C ATOM 720 CD GLN A 49 -9.719 3.636 2.774 1.00 1.45 C ATOM 721 OE1 GLN A 49 -9.055 2.800 1.981 1.00 1.54 O flip ATOM 722 NE2 GLN A 49 -10.439 4.534 2.335 1.00 1.52 N flip ATOM 0 H GLN A 49 -7.051 3.683 2.853 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.741 5.161 5.397 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -9.013 4.597 5.984 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -9.020 5.497 4.481 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -9.056 2.477 4.447 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.532 3.377 4.737 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -10.931 5.154 2.979 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.543 4.658 1.328 1.00 1.52 H new ATOM 731 N ILE A 50 -6.437 2.993 6.675 1.00 1.06 N ATOM 732 CA ILE A 50 -6.002 1.757 7.333 1.00 1.03 C ATOM 733 C ILE A 50 -6.958 0.598 7.032 1.00 1.05 C ATOM 734 O ILE A 50 -8.156 0.685 7.306 1.00 1.16 O ATOM 735 CB ILE A 50 -5.886 1.937 8.865 1.00 1.08 C ATOM 736 CG1 ILE A 50 -4.895 3.058 9.202 1.00 1.76 C ATOM 737 CG2 ILE A 50 -5.458 0.634 9.528 1.00 1.14 C ATOM 738 CD1 ILE A 50 -5.501 4.178 10.018 1.00 2.56 C ATOM 0 H ILE A 50 -6.439 3.813 7.281 1.00 1.06 H new ATOM 0 HA ILE A 50 -5.017 1.521 6.931 1.00 1.03 H new ATOM 0 HB ILE A 50 -6.867 2.214 9.251 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -4.053 2.635 9.750 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -4.497 3.470 8.275 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -5.382 0.782 10.605 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -6.196 -0.140 9.319 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -4.489 0.327 9.135 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -4.742 4.934 10.218 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -6.324 4.628 9.463 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -5.874 3.780 10.962 1.00 2.56 H new ATOM 750 N GLY A 51 -6.414 -0.482 6.463 1.00 1.02 N ATOM 751 CA GLY A 51 -7.223 -1.645 6.127 1.00 1.10 C ATOM 752 C GLY A 51 -7.194 -1.992 4.646 1.00 1.04 C ATOM 753 O GLY A 51 -7.447 -3.141 4.281 1.00 1.03 O ATOM 0 H GLY A 51 -5.425 -0.570 6.229 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -6.870 -2.502 6.701 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.254 -1.461 6.430 1.00 1.10 H new ATOM 757 N ASP A 52 -6.886 -1.013 3.786 1.00 1.04 N ATOM 758 CA ASP A 52 -6.831 -1.261 2.352 1.00 1.01 C ATOM 759 C ASP A 52 -5.666 -2.180 2.000 1.00 0.91 C ATOM 760 O ASP A 52 -4.663 -2.242 2.725 1.00 0.88 O ATOM 761 CB ASP A 52 -6.720 0.052 1.563 1.00 1.03 C ATOM 762 CG ASP A 52 -5.718 1.033 2.139 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.684 0.595 2.688 1.00 1.55 O ATOM 764 OD2 ASP A 52 -5.971 2.247 2.031 1.00 1.56 O ATOM 0 H ASP A 52 -6.674 -0.054 4.061 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.762 -1.754 2.072 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.440 -0.176 0.535 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.700 0.527 1.528 1.00 1.03 H new ATOM 769 N LYS A 53 -5.800 -2.883 0.876 1.00 0.88 N ATOM 770 CA LYS A 53 -4.756 -3.790 0.419 1.00 0.82 C ATOM 771 C LYS A 53 -4.108 -3.274 -0.858 1.00 0.76 C ATOM 772 O LYS A 53 -4.745 -2.606 -1.674 1.00 0.87 O ATOM 773 CB LYS A 53 -5.320 -5.192 0.188 1.00 0.94 C ATOM 774 CG LYS A 53 -6.522 -5.231 -0.743 1.00 1.33 C ATOM 775 CD LYS A 53 -7.776 -5.685 -0.010 1.00 1.83 C ATOM 776 CE LYS A 53 -8.413 -6.889 -0.689 1.00 2.37 C ATOM 777 NZ LYS A 53 -8.434 -8.086 0.198 1.00 3.23 N ATOM 0 H LYS A 53 -6.619 -2.840 0.269 1.00 0.88 H new ATOM 0 HA LYS A 53 -3.996 -3.841 1.198 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.534 -5.825 -0.224 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.604 -5.621 1.149 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.686 -4.242 -1.170 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.319 -5.907 -1.574 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.525 -5.937 1.020 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.494 -4.865 0.028 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -9.432 -6.640 -0.986 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -7.864 -7.123 -1.601 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -8.798 -8.904 -0.331 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -7.469 -8.289 0.530 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -9.049 -7.901 1.016 1.00 3.23 H new ATOM 791 N LEU A 54 -2.832 -3.586 -1.003 1.00 0.64 N ATOM 792 CA LEU A 54 -2.068 -3.149 -2.161 1.00 0.66 C ATOM 793 C LEU A 54 -1.980 -4.239 -3.222 1.00 0.64 C ATOM 794 O LEU A 54 -1.369 -5.289 -3.012 1.00 0.79 O ATOM 795 CB LEU A 54 -0.676 -2.673 -1.746 1.00 0.73 C ATOM 796 CG LEU A 54 -0.424 -1.180 -1.963 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.708 -0.689 -1.073 1.00 1.11 C ATOM 798 CD2 LEU A 54 -0.122 -0.896 -3.427 1.00 1.72 C ATOM 0 H LEU A 54 -2.301 -4.142 -0.332 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.598 -2.306 -2.605 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.527 -2.904 -0.691 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.069 -3.239 -2.305 1.00 0.73 H new ATOM 0 HG LEU A 54 -1.329 -0.637 -1.689 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.870 0.375 -1.244 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.446 -0.853 -0.028 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.620 -1.237 -1.309 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.054 0.171 -3.562 1.00 1.72 H new ATOM 0 HD22 LEU A 54 0.765 -1.452 -3.730 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.969 -1.204 -4.040 1.00 1.72 H new ATOM 810 N LEU A 55 -2.597 -3.960 -4.369 1.00 0.56 N ATOM 811 CA LEU A 55 -2.607 -4.880 -5.496 1.00 0.58 C ATOM 812 C LEU A 55 -1.259 -4.860 -6.205 1.00 0.54 C ATOM 813 O LEU A 55 -0.660 -5.913 -6.425 1.00 0.56 O ATOM 814 CB LEU A 55 -3.723 -4.513 -6.479 1.00 0.66 C ATOM 815 CG LEU A 55 -3.915 -5.496 -7.639 1.00 0.91 C ATOM 816 CD1 LEU A 55 -4.903 -6.590 -7.257 1.00 1.27 C ATOM 817 CD2 LEU A 55 -4.382 -4.762 -8.889 1.00 1.87 C ATOM 0 H LEU A 55 -3.102 -3.090 -4.539 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.793 -5.885 -5.118 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.661 -4.437 -5.928 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.514 -3.526 -6.890 1.00 0.66 H new ATOM 0 HG LEU A 55 -2.955 -5.964 -7.855 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -5.026 -7.278 -8.094 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -4.526 -7.135 -6.392 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -5.866 -6.141 -7.012 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -4.513 -5.476 -9.702 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -5.331 -4.265 -8.686 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -3.637 -4.019 -9.175 1.00 1.87 H new ATOM 829 N ALA A 56 -0.780 -3.662 -6.565 1.00 0.51 N ATOM 830 CA ALA A 56 0.510 -3.547 -7.250 1.00 0.49 C ATOM 831 C ALA A 56 1.163 -2.176 -7.029 1.00 0.53 C ATOM 832 O ALA A 56 0.494 -1.213 -6.659 1.00 0.67 O ATOM 833 CB ALA A 56 0.328 -3.808 -8.745 1.00 0.54 C ATOM 0 H ALA A 56 -1.257 -2.776 -6.397 1.00 0.51 H new ATOM 0 HA ALA A 56 1.177 -4.296 -6.824 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.290 -3.721 -9.249 1.00 0.54 H new ATOM 0 HB2 ALA A 56 -0.070 -4.812 -8.893 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.366 -3.077 -9.160 1.00 0.54 H new ATOM 839 N VAL A 57 2.479 -2.099 -7.259 1.00 0.50 N ATOM 840 CA VAL A 57 3.221 -0.849 -7.090 1.00 0.59 C ATOM 841 C VAL A 57 4.329 -0.707 -8.136 1.00 0.53 C ATOM 842 O VAL A 57 5.332 -1.416 -8.093 1.00 0.52 O ATOM 843 CB VAL A 57 3.843 -0.737 -5.680 1.00 0.77 C ATOM 844 CG1 VAL A 57 4.669 0.536 -5.552 1.00 1.42 C ATOM 845 CG2 VAL A 57 2.762 -0.778 -4.613 1.00 1.47 C ATOM 0 H VAL A 57 3.050 -2.888 -7.562 1.00 0.50 H new ATOM 0 HA VAL A 57 2.498 -0.045 -7.223 1.00 0.59 H new ATOM 0 HB VAL A 57 4.505 -1.590 -5.534 1.00 0.77 H new ATOM 0 HG11 VAL A 57 5.097 0.593 -4.551 1.00 1.42 H new ATOM 0 HG12 VAL A 57 5.471 0.525 -6.290 1.00 1.42 H new ATOM 0 HG13 VAL A 57 4.031 1.403 -5.724 1.00 1.42 H new ATOM 0 HG21 VAL A 57 3.220 -0.698 -3.627 1.00 1.47 H new ATOM 0 HG22 VAL A 57 2.073 0.053 -4.761 1.00 1.47 H new ATOM 0 HG23 VAL A 57 2.216 -1.719 -4.684 1.00 1.47 H new ATOM 855 N ASN A 58 4.135 0.219 -9.076 1.00 0.57 N ATOM 856 CA ASN A 58 5.115 0.466 -10.136 1.00 0.58 C ATOM 857 C ASN A 58 5.267 -0.756 -11.050 1.00 0.59 C ATOM 858 O ASN A 58 6.381 -1.210 -11.321 1.00 0.60 O ATOM 859 CB ASN A 58 6.470 0.860 -9.528 1.00 0.57 C ATOM 860 CG ASN A 58 6.955 2.213 -10.015 1.00 0.80 C ATOM 861 OD1 ASN A 58 7.333 2.367 -11.177 1.00 1.39 O ATOM 862 ND2 ASN A 58 6.947 3.204 -9.129 1.00 1.49 N ATOM 0 H ASN A 58 3.306 0.812 -9.125 1.00 0.57 H new ATOM 0 HA ASN A 58 4.751 1.293 -10.746 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.385 0.878 -8.441 1.00 0.57 H new ATOM 0 HB3 ASN A 58 7.211 0.101 -9.778 1.00 0.57 H new ATOM 0 HD21 ASN A 58 7.262 4.135 -9.402 1.00 1.49 H new ATOM 0 HD22 ASN A 58 6.626 3.034 -8.176 1.00 1.49 H new ATOM 869 N ASN A 59 4.126 -1.270 -11.524 1.00 0.60 N ATOM 870 CA ASN A 59 4.083 -2.434 -12.424 1.00 0.65 C ATOM 871 C ASN A 59 4.294 -3.770 -11.695 1.00 0.61 C ATOM 872 O ASN A 59 4.043 -4.829 -12.276 1.00 0.67 O ATOM 873 CB ASN A 59 5.111 -2.297 -13.557 1.00 0.71 C ATOM 874 CG ASN A 59 4.869 -1.072 -14.422 1.00 1.18 C ATOM 875 OD1 ASN A 59 5.220 0.047 -14.047 1.00 1.74 O ATOM 876 ND2 ASN A 59 4.267 -1.279 -15.589 1.00 1.52 N ATOM 0 H ASN A 59 3.206 -0.893 -11.296 1.00 0.60 H new ATOM 0 HA ASN A 59 3.077 -2.447 -12.843 1.00 0.65 H new ATOM 0 HB2 ASN A 59 6.112 -2.243 -13.129 1.00 0.71 H new ATOM 0 HB3 ASN A 59 5.079 -3.190 -14.181 1.00 0.71 H new ATOM 0 HD21 ASN A 59 4.079 -0.494 -16.212 1.00 1.52 H new ATOM 0 HD22 ASN A 59 3.993 -2.223 -15.861 1.00 1.52 H new ATOM 883 N VAL A 60 4.743 -3.738 -10.433 1.00 0.53 N ATOM 884 CA VAL A 60 4.957 -4.974 -9.677 1.00 0.52 C ATOM 885 C VAL A 60 3.759 -5.276 -8.786 1.00 0.51 C ATOM 886 O VAL A 60 3.164 -4.364 -8.221 1.00 0.50 O ATOM 887 CB VAL A 60 6.234 -4.916 -8.802 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.440 -4.477 -9.622 1.00 0.51 C ATOM 889 CG2 VAL A 60 6.044 -4.004 -7.595 1.00 0.54 C ATOM 0 H VAL A 60 4.962 -2.882 -9.922 1.00 0.53 H new ATOM 0 HA VAL A 60 5.083 -5.768 -10.413 1.00 0.52 H new ATOM 0 HB VAL A 60 6.421 -5.924 -8.432 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.322 -4.445 -8.983 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.605 -5.185 -10.434 1.00 0.51 H new ATOM 0 HG13 VAL A 60 7.257 -3.486 -10.037 1.00 0.51 H new ATOM 0 HG21 VAL A 60 6.960 -3.987 -7.004 1.00 0.54 H new ATOM 0 HG22 VAL A 60 5.813 -2.994 -7.935 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.223 -4.377 -6.982 1.00 0.54 H new ATOM 899 N CYS A 61 3.408 -6.551 -8.649 1.00 0.53 N ATOM 900 CA CYS A 61 2.282 -6.924 -7.801 1.00 0.54 C ATOM 901 C CYS A 61 2.702 -6.924 -6.337 1.00 0.58 C ATOM 902 O CYS A 61 3.772 -7.428 -5.987 1.00 0.72 O ATOM 903 CB CYS A 61 1.714 -8.285 -8.194 1.00 0.56 C ATOM 904 SG CYS A 61 2.848 -9.672 -7.947 1.00 0.71 S ATOM 0 H CYS A 61 3.879 -7.332 -9.106 1.00 0.53 H new ATOM 0 HA CYS A 61 1.495 -6.183 -7.943 1.00 0.54 H new ATOM 0 HB2 CYS A 61 0.807 -8.466 -7.617 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.422 -8.253 -9.244 1.00 0.56 H new ATOM 0 HG CYS A 61 3.737 -9.352 -7.054 1.00 0.71 H new ATOM 910 N LEU A 62 1.849 -6.365 -5.487 1.00 0.55 N ATOM 911 CA LEU A 62 2.113 -6.303 -4.057 1.00 0.62 C ATOM 912 C LEU A 62 1.308 -7.363 -3.286 1.00 0.58 C ATOM 913 O LEU A 62 0.929 -7.150 -2.130 1.00 0.51 O ATOM 914 CB LEU A 62 1.819 -4.888 -3.550 1.00 0.77 C ATOM 915 CG LEU A 62 3.028 -4.166 -2.943 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.047 -3.837 -4.022 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.591 -2.904 -2.217 1.00 1.08 C ATOM 0 H LEU A 62 0.963 -5.946 -5.767 1.00 0.55 H new ATOM 0 HA LEU A 62 3.165 -6.528 -3.881 1.00 0.62 H new ATOM 0 HB2 LEU A 62 1.434 -4.292 -4.377 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.029 -4.941 -2.800 1.00 0.77 H new ATOM 0 HG LEU A 62 3.496 -4.831 -2.218 1.00 0.95 H new ATOM 0 HD11 LEU A 62 4.899 -3.325 -3.574 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.386 -4.758 -4.496 1.00 1.71 H new ATOM 0 HD13 LEU A 62 3.588 -3.191 -4.771 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.464 -2.407 -1.794 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.096 -2.233 -2.919 1.00 1.08 H new ATOM 0 HD23 LEU A 62 1.899 -3.166 -1.417 1.00 1.08 H new ATOM 929 N GLU A 63 1.021 -8.493 -3.943 1.00 0.72 N ATOM 930 CA GLU A 63 0.243 -9.567 -3.322 1.00 0.80 C ATOM 931 C GLU A 63 1.001 -10.903 -3.282 1.00 0.95 C ATOM 932 O GLU A 63 0.651 -11.785 -2.497 1.00 1.83 O ATOM 933 CB GLU A 63 -1.084 -9.752 -4.065 1.00 0.86 C ATOM 934 CG GLU A 63 -2.298 -9.745 -3.151 1.00 1.12 C ATOM 935 CD GLU A 63 -2.884 -11.128 -2.935 1.00 1.31 C ATOM 936 OE1 GLU A 63 -2.379 -11.857 -2.053 1.00 1.96 O ATOM 937 OE2 GLU A 63 -3.849 -11.481 -3.643 1.00 1.65 O ATOM 0 H GLU A 63 1.315 -8.685 -4.901 1.00 0.72 H new ATOM 0 HA GLU A 63 0.058 -9.267 -2.291 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -1.191 -8.958 -4.804 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -1.057 -10.695 -4.612 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -2.018 -9.320 -2.187 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -3.062 -9.095 -3.576 1.00 1.12 H new ATOM 944 N GLU A 64 2.028 -11.055 -4.125 1.00 1.04 N ATOM 945 CA GLU A 64 2.805 -12.296 -4.167 1.00 1.08 C ATOM 946 C GLU A 64 4.268 -12.062 -3.765 1.00 0.90 C ATOM 947 O GLU A 64 5.188 -12.584 -4.400 1.00 0.96 O ATOM 948 CB GLU A 64 2.728 -12.911 -5.567 1.00 1.28 C ATOM 949 CG GLU A 64 2.066 -14.280 -5.596 1.00 1.53 C ATOM 950 CD GLU A 64 1.906 -14.822 -7.004 1.00 2.14 C ATOM 951 OE1 GLU A 64 0.863 -14.539 -7.634 1.00 2.93 O ATOM 952 OE2 GLU A 64 2.821 -15.526 -7.478 1.00 2.40 O ATOM 0 H GLU A 64 2.338 -10.339 -4.782 1.00 1.04 H new ATOM 0 HA GLU A 64 2.374 -12.989 -3.444 1.00 1.08 H new ATOM 0 HB2 GLU A 64 2.176 -12.236 -6.221 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.736 -12.996 -5.973 1.00 1.28 H new ATOM 0 HG2 GLU A 64 2.660 -14.979 -5.007 1.00 1.53 H new ATOM 0 HG3 GLU A 64 1.087 -14.216 -5.122 1.00 1.53 H new ATOM 959 N VAL A 65 4.474 -11.271 -2.710 1.00 0.80 N ATOM 960 CA VAL A 65 5.827 -10.972 -2.236 1.00 0.64 C ATOM 961 C VAL A 65 5.915 -10.890 -0.715 1.00 0.64 C ATOM 962 O VAL A 65 4.916 -10.670 -0.027 1.00 0.70 O ATOM 963 CB VAL A 65 6.358 -9.644 -2.815 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.635 -9.772 -4.306 1.00 0.64 C ATOM 965 CG2 VAL A 65 5.388 -8.502 -2.537 1.00 0.59 C ATOM 0 H VAL A 65 3.729 -10.829 -2.172 1.00 0.80 H new ATOM 0 HA VAL A 65 6.439 -11.804 -2.585 1.00 0.64 H new ATOM 0 HB VAL A 65 7.300 -9.414 -2.317 1.00 0.56 H new ATOM 0 HG11 VAL A 65 7.008 -8.822 -4.690 1.00 0.64 H new ATOM 0 HG12 VAL A 65 7.381 -10.549 -4.472 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.714 -10.036 -4.826 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.785 -7.577 -2.955 1.00 0.59 H new ATOM 0 HG22 VAL A 65 4.424 -8.723 -2.996 1.00 0.59 H new ATOM 0 HG23 VAL A 65 5.259 -8.388 -1.461 1.00 0.59 H new ATOM 975 N THR A 66 7.142 -11.047 -0.209 1.00 0.63 N ATOM 976 CA THR A 66 7.409 -10.971 1.226 1.00 0.69 C ATOM 977 C THR A 66 7.265 -9.524 1.710 1.00 0.61 C ATOM 978 O THR A 66 6.826 -8.655 0.952 1.00 0.66 O ATOM 979 CB THR A 66 8.813 -11.510 1.539 1.00 0.74 C ATOM 980 OG1 THR A 66 9.749 -11.096 0.559 1.00 1.53 O ATOM 981 CG2 THR A 66 8.869 -13.021 1.613 1.00 1.17 C ATOM 0 H THR A 66 7.969 -11.228 -0.778 1.00 0.63 H new ATOM 0 HA THR A 66 6.682 -11.589 1.753 1.00 0.69 H new ATOM 0 HB THR A 66 9.063 -11.100 2.517 1.00 0.74 H new ATOM 0 HG1 THR A 66 10.593 -11.576 0.690 1.00 1.53 H new ATOM 0 HG21 THR A 66 9.888 -13.337 1.837 1.00 1.17 H new ATOM 0 HG22 THR A 66 8.199 -13.372 2.398 1.00 1.17 H new ATOM 0 HG23 THR A 66 8.560 -13.444 0.657 1.00 1.17 H new ATOM 989 N HIS A 67 7.621 -9.261 2.969 1.00 0.51 N ATOM 990 CA HIS A 67 7.499 -7.907 3.502 1.00 0.45 C ATOM 991 C HIS A 67 8.526 -6.961 2.882 1.00 0.43 C ATOM 992 O HIS A 67 8.193 -5.820 2.558 1.00 0.41 O ATOM 993 CB HIS A 67 7.560 -7.878 5.035 1.00 0.45 C ATOM 994 CG HIS A 67 7.242 -6.518 5.581 1.00 0.46 C ATOM 995 ND1 HIS A 67 5.969 -6.146 5.949 1.00 0.51 N ATOM 996 CD2 HIS A 67 8.015 -5.420 5.760 1.00 0.49 C ATOM 997 CE1 HIS A 67 5.972 -4.886 6.325 1.00 0.54 C ATOM 998 NE2 HIS A 67 7.197 -4.420 6.223 1.00 0.52 N ATOM 0 H HIS A 67 7.988 -9.951 3.624 1.00 0.51 H new ATOM 0 HA HIS A 67 6.510 -7.547 3.218 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.857 -8.606 5.440 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.555 -8.178 5.365 1.00 0.45 H new ATOM 0 HD1 HIS A 67 5.150 -6.754 5.933 1.00 0.51 H new ATOM 0 HD2 HIS A 67 9.076 -5.346 5.573 1.00 0.49 H new ATOM 0 HE1 HIS A 67 5.111 -4.327 6.662 1.00 0.54 H new ATOM 1007 N GLU A 68 9.765 -7.424 2.715 1.00 0.45 N ATOM 1008 CA GLU A 68 10.816 -6.590 2.125 1.00 0.45 C ATOM 1009 C GLU A 68 10.368 -6.023 0.773 1.00 0.42 C ATOM 1010 O GLU A 68 10.615 -4.856 0.475 1.00 0.41 O ATOM 1011 CB GLU A 68 12.122 -7.381 1.962 1.00 0.49 C ATOM 1012 CG GLU A 68 11.947 -8.744 1.306 1.00 1.43 C ATOM 1013 CD GLU A 68 12.133 -9.895 2.277 1.00 2.13 C ATOM 1014 OE1 GLU A 68 11.319 -10.019 3.217 1.00 2.59 O ATOM 1015 OE2 GLU A 68 13.092 -10.675 2.096 1.00 2.90 O ATOM 0 H GLU A 68 10.065 -8.363 2.977 1.00 0.45 H new ATOM 0 HA GLU A 68 11.001 -5.759 2.806 1.00 0.45 H new ATOM 0 HB2 GLU A 68 12.820 -6.791 1.368 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.576 -7.518 2.943 1.00 0.49 H new ATOM 0 HG2 GLU A 68 10.952 -8.804 0.865 1.00 1.43 H new ATOM 0 HG3 GLU A 68 12.663 -8.844 0.491 1.00 1.43 H new ATOM 1022 N GLU A 69 9.696 -6.855 -0.027 1.00 0.44 N ATOM 1023 CA GLU A 69 9.196 -6.434 -1.338 1.00 0.43 C ATOM 1024 C GLU A 69 8.077 -5.400 -1.185 1.00 0.41 C ATOM 1025 O GLU A 69 7.995 -4.446 -1.958 1.00 0.41 O ATOM 1026 CB GLU A 69 8.687 -7.640 -2.126 1.00 0.46 C ATOM 1027 CG GLU A 69 9.767 -8.357 -2.920 1.00 0.76 C ATOM 1028 CD GLU A 69 10.201 -9.659 -2.275 1.00 1.07 C ATOM 1029 OE1 GLU A 69 9.493 -10.675 -2.448 1.00 1.70 O ATOM 1030 OE2 GLU A 69 11.249 -9.665 -1.596 1.00 1.84 O ATOM 0 H GLU A 69 9.486 -7.824 0.211 1.00 0.44 H new ATOM 0 HA GLU A 69 10.020 -5.976 -1.885 1.00 0.43 H new ATOM 0 HB2 GLU A 69 8.229 -8.347 -1.434 1.00 0.46 H new ATOM 0 HB3 GLU A 69 7.905 -7.311 -2.810 1.00 0.46 H new ATOM 0 HG2 GLU A 69 9.399 -8.560 -3.926 1.00 0.76 H new ATOM 0 HG3 GLU A 69 10.632 -7.702 -3.023 1.00 0.76 H new ATOM 1037 N ALA A 70 7.236 -5.594 -0.166 1.00 0.41 N ATOM 1038 CA ALA A 70 6.133 -4.678 0.127 1.00 0.41 C ATOM 1039 C ALA A 70 6.662 -3.279 0.439 1.00 0.40 C ATOM 1040 O ALA A 70 6.192 -2.285 -0.113 1.00 0.42 O ATOM 1041 CB ALA A 70 5.340 -5.201 1.317 1.00 0.44 C ATOM 0 H ALA A 70 7.300 -6.385 0.475 1.00 0.41 H new ATOM 0 HA ALA A 70 5.487 -4.618 -0.749 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.519 -4.519 1.535 1.00 0.44 H new ATOM 0 HB2 ALA A 70 4.940 -6.187 1.082 1.00 0.44 H new ATOM 0 HB3 ALA A 70 5.993 -5.272 2.187 1.00 0.44 H new ATOM 1047 N VAL A 71 7.659 -3.234 1.325 1.00 0.40 N ATOM 1048 CA VAL A 71 8.287 -1.983 1.745 1.00 0.42 C ATOM 1049 C VAL A 71 9.157 -1.387 0.639 1.00 0.41 C ATOM 1050 O VAL A 71 9.148 -0.174 0.422 1.00 0.42 O ATOM 1051 CB VAL A 71 9.150 -2.189 3.014 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.157 -1.058 3.192 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.268 -2.312 4.242 1.00 0.50 C ATOM 0 H VAL A 71 8.052 -4.063 1.770 1.00 0.40 H new ATOM 0 HA VAL A 71 7.478 -1.287 1.967 1.00 0.42 H new ATOM 0 HB VAL A 71 9.709 -3.116 2.889 1.00 0.48 H new ATOM 0 HG11 VAL A 71 10.746 -1.234 4.092 1.00 0.52 H new ATOM 0 HG12 VAL A 71 10.819 -1.020 2.327 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.627 -0.110 3.285 1.00 0.52 H new ATOM 0 HG21 VAL A 71 8.891 -2.456 5.125 1.00 0.50 H new ATOM 0 HG22 VAL A 71 7.678 -1.403 4.359 1.00 0.50 H new ATOM 0 HG23 VAL A 71 7.600 -3.165 4.126 1.00 0.50 H new ATOM 1063 N THR A 72 9.904 -2.244 -0.055 1.00 0.43 N ATOM 1064 CA THR A 72 10.782 -1.807 -1.136 1.00 0.47 C ATOM 1065 C THR A 72 9.987 -1.186 -2.284 1.00 0.42 C ATOM 1066 O THR A 72 10.485 -0.302 -2.980 1.00 0.44 O ATOM 1067 CB THR A 72 11.620 -2.984 -1.650 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.594 -3.360 -0.691 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.351 -2.693 -2.948 1.00 0.61 C ATOM 0 H THR A 72 9.918 -3.250 0.114 1.00 0.43 H new ATOM 0 HA THR A 72 11.448 -1.042 -0.736 1.00 0.47 H new ATOM 0 HB THR A 72 10.902 -3.784 -1.830 1.00 0.53 H new ATOM 0 HG1 THR A 72 12.190 -3.966 -0.035 1.00 0.60 H new ATOM 0 HG21 THR A 72 12.922 -3.571 -3.249 1.00 0.61 H new ATOM 0 HG22 THR A 72 11.628 -2.446 -3.725 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.029 -1.852 -2.803 1.00 0.61 H new ATOM 1077 N ALA A 73 8.761 -1.666 -2.494 1.00 0.37 N ATOM 1078 CA ALA A 73 7.912 -1.178 -3.573 1.00 0.36 C ATOM 1079 C ALA A 73 7.343 0.201 -3.273 1.00 0.34 C ATOM 1080 O ALA A 73 7.323 1.063 -4.153 1.00 0.36 O ATOM 1081 CB ALA A 73 6.784 -2.163 -3.841 1.00 0.41 C ATOM 0 H ALA A 73 8.334 -2.397 -1.925 1.00 0.37 H new ATOM 0 HA ALA A 73 8.535 -1.089 -4.463 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.157 -1.787 -4.649 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.204 -3.128 -4.126 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.182 -2.281 -2.940 1.00 0.41 H new ATOM 1087 N LEU A 74 6.892 0.426 -2.033 1.00 0.33 N ATOM 1088 CA LEU A 74 6.345 1.738 -1.680 1.00 0.37 C ATOM 1089 C LEU A 74 7.467 2.762 -1.547 1.00 0.38 C ATOM 1090 O LEU A 74 7.244 3.958 -1.744 1.00 0.44 O ATOM 1091 CB LEU A 74 5.512 1.715 -0.387 1.00 0.41 C ATOM 1092 CG LEU A 74 5.121 0.340 0.150 1.00 0.61 C ATOM 1093 CD1 LEU A 74 5.921 0.023 1.394 1.00 1.73 C ATOM 1094 CD2 LEU A 74 3.641 0.275 0.463 1.00 1.13 C ATOM 0 H LEU A 74 6.894 -0.261 -1.279 1.00 0.33 H new ATOM 0 HA LEU A 74 5.674 2.021 -2.491 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.072 2.237 0.389 1.00 0.41 H new ATOM 0 HB3 LEU A 74 4.599 2.286 -0.559 1.00 0.41 H new ATOM 0 HG LEU A 74 5.340 -0.398 -0.622 1.00 0.61 H new ATOM 0 HD11 LEU A 74 5.635 -0.959 1.770 1.00 1.73 H new ATOM 0 HD12 LEU A 74 6.984 0.024 1.153 1.00 1.73 H new ATOM 0 HD13 LEU A 74 5.721 0.775 2.157 1.00 1.73 H new ATOM 0 HD21 LEU A 74 3.393 -0.716 0.843 1.00 1.13 H new ATOM 0 HD22 LEU A 74 3.395 1.025 1.215 1.00 1.13 H new ATOM 0 HD23 LEU A 74 3.068 0.469 -0.444 1.00 1.13 H new ATOM 1106 N LYS A 75 8.677 2.295 -1.210 1.00 0.38 N ATOM 1107 CA LYS A 75 9.821 3.198 -1.054 1.00 0.47 C ATOM 1108 C LYS A 75 10.514 3.482 -2.391 1.00 0.49 C ATOM 1109 O LYS A 75 11.170 4.514 -2.539 1.00 0.59 O ATOM 1110 CB LYS A 75 10.825 2.628 -0.044 1.00 0.57 C ATOM 1111 CG LYS A 75 11.623 1.438 -0.560 1.00 0.64 C ATOM 1112 CD LYS A 75 13.095 1.550 -0.194 1.00 1.05 C ATOM 1113 CE LYS A 75 13.559 0.361 0.635 1.00 0.88 C ATOM 1114 NZ LYS A 75 14.186 -0.698 -0.204 1.00 1.44 N ATOM 0 H LYS A 75 8.886 1.311 -1.043 1.00 0.38 H new ATOM 0 HA LYS A 75 9.436 4.145 -0.676 1.00 0.47 H new ATOM 0 HB2 LYS A 75 11.518 3.417 0.247 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.288 2.328 0.856 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.213 0.517 -0.145 1.00 0.64 H new ATOM 0 HG3 LYS A 75 11.521 1.373 -1.643 1.00 0.64 H new ATOM 0 HD2 LYS A 75 13.692 1.615 -1.103 1.00 1.05 H new ATOM 0 HD3 LYS A 75 13.262 2.471 0.364 1.00 1.05 H new ATOM 0 HE2 LYS A 75 14.274 0.700 1.385 1.00 0.88 H new ATOM 0 HE3 LYS A 75 12.709 -0.059 1.172 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 13.554 -1.523 -0.251 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 14.347 -0.331 -1.163 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 15.094 -0.981 0.216 1.00 1.44 H new ATOM 1128 N ASN A 76 10.376 2.564 -3.355 1.00 0.48 N ATOM 1129 CA ASN A 76 10.999 2.722 -4.673 1.00 0.59 C ATOM 1130 C ASN A 76 10.306 3.824 -5.483 1.00 0.69 C ATOM 1131 O ASN A 76 9.602 3.548 -6.458 1.00 1.15 O ATOM 1132 CB ASN A 76 10.961 1.394 -5.442 1.00 0.64 C ATOM 1133 CG ASN A 76 11.790 1.431 -6.715 1.00 0.85 C ATOM 1134 OD1 ASN A 76 13.019 1.472 -6.667 1.00 0.90 O ATOM 1135 ND2 ASN A 76 11.120 1.415 -7.864 1.00 1.55 N ATOM 0 H ASN A 76 9.838 1.704 -3.246 1.00 0.48 H new ATOM 0 HA ASN A 76 12.038 3.015 -4.523 1.00 0.59 H new ATOM 0 HB2 ASN A 76 11.327 0.595 -4.798 1.00 0.64 H new ATOM 0 HB3 ASN A 76 9.928 1.153 -5.693 1.00 0.64 H new ATOM 0 HD21 ASN A 76 11.626 1.437 -8.750 1.00 1.55 H new ATOM 0 HD22 ASN A 76 10.101 1.381 -7.859 1.00 1.55 H new ATOM 1142 N THR A 77 10.502 5.073 -5.060 1.00 0.90 N ATOM 1143 CA THR A 77 9.892 6.219 -5.731 1.00 1.07 C ATOM 1144 C THR A 77 10.908 7.340 -5.960 1.00 0.80 C ATOM 1145 O THR A 77 11.954 7.393 -5.309 1.00 1.47 O ATOM 1146 CB THR A 77 8.709 6.747 -4.909 1.00 2.00 C ATOM 1147 OG1 THR A 77 9.149 7.286 -3.672 1.00 2.60 O ATOM 1148 CG2 THR A 77 7.668 5.688 -4.607 1.00 2.53 C ATOM 0 H THR A 77 11.079 5.316 -4.255 1.00 0.90 H new ATOM 0 HA THR A 77 9.535 5.882 -6.704 1.00 1.07 H new ATOM 0 HB THR A 77 8.251 7.517 -5.530 1.00 2.00 H new ATOM 0 HG1 THR A 77 8.378 7.618 -3.167 1.00 2.60 H new ATOM 0 HG21 THR A 77 6.860 6.128 -4.023 1.00 2.53 H new ATOM 0 HG22 THR A 77 7.268 5.294 -5.541 1.00 2.53 H new ATOM 0 HG23 THR A 77 8.127 4.879 -4.039 1.00 2.53 H new ATOM 1156 N SER A 78 10.577 8.240 -6.886 1.00 1.14 N ATOM 1157 CA SER A 78 11.440 9.376 -7.207 1.00 1.74 C ATOM 1158 C SER A 78 10.638 10.676 -7.182 1.00 1.42 C ATOM 1159 O SER A 78 10.744 11.458 -6.236 1.00 1.44 O ATOM 1160 CB SER A 78 12.109 9.176 -8.573 1.00 2.76 C ATOM 1161 OG SER A 78 13.443 9.656 -8.562 1.00 3.36 O ATOM 0 H SER A 78 9.714 8.204 -7.429 1.00 1.14 H new ATOM 0 HA SER A 78 12.223 9.441 -6.452 1.00 1.74 H new ATOM 0 HB2 SER A 78 12.102 8.118 -8.834 1.00 2.76 H new ATOM 0 HB3 SER A 78 11.538 9.697 -9.341 1.00 2.76 H new ATOM 0 HG SER A 78 13.848 9.516 -9.443 1.00 3.36 H new ATOM 1167 N ASP A 79 9.832 10.899 -8.221 1.00 1.32 N ATOM 1168 CA ASP A 79 9.004 12.098 -8.311 1.00 1.18 C ATOM 1169 C ASP A 79 7.554 11.776 -7.953 1.00 0.99 C ATOM 1170 O ASP A 79 6.909 12.521 -7.215 1.00 0.92 O ATOM 1171 CB ASP A 79 9.077 12.695 -9.719 1.00 1.46 C ATOM 1172 CG ASP A 79 10.335 13.516 -9.934 1.00 1.61 C ATOM 1173 OD1 ASP A 79 11.401 12.915 -10.190 1.00 2.07 O ATOM 1174 OD2 ASP A 79 10.254 14.759 -9.847 1.00 2.23 O ATOM 0 H ASP A 79 9.736 10.263 -9.012 1.00 1.32 H new ATOM 0 HA ASP A 79 9.385 12.831 -7.600 1.00 1.18 H new ATOM 0 HB2 ASP A 79 9.041 11.891 -10.454 1.00 1.46 H new ATOM 0 HB3 ASP A 79 8.203 13.323 -9.890 1.00 1.46 H new ATOM 1179 N PHE A 80 7.056 10.650 -8.471 1.00 0.97 N ATOM 1180 CA PHE A 80 5.691 10.211 -8.197 1.00 0.85 C ATOM 1181 C PHE A 80 5.664 8.742 -7.777 1.00 0.82 C ATOM 1182 O PHE A 80 6.672 8.039 -7.888 1.00 0.92 O ATOM 1183 CB PHE A 80 4.800 10.431 -9.419 1.00 0.92 C ATOM 1184 CG PHE A 80 3.683 11.392 -9.150 1.00 0.94 C ATOM 1185 CD1 PHE A 80 3.913 12.758 -9.163 1.00 1.68 C ATOM 1186 CD2 PHE A 80 2.409 10.931 -8.866 1.00 1.39 C ATOM 1187 CE1 PHE A 80 2.892 13.646 -8.895 1.00 1.77 C ATOM 1188 CE2 PHE A 80 1.383 11.817 -8.602 1.00 1.43 C ATOM 1189 CZ PHE A 80 1.627 13.176 -8.615 1.00 1.14 C ATOM 0 H PHE A 80 7.582 10.027 -9.084 1.00 0.97 H new ATOM 0 HA PHE A 80 5.304 10.809 -7.372 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.406 10.806 -10.244 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.384 9.475 -9.738 1.00 0.92 H new ATOM 0 HD1 PHE A 80 4.902 13.131 -9.385 1.00 1.68 H new ATOM 0 HD2 PHE A 80 2.216 9.869 -8.851 1.00 1.39 H new ATOM 0 HE1 PHE A 80 3.084 14.709 -8.905 1.00 1.77 H new ATOM 0 HE2 PHE A 80 0.391 11.448 -8.386 1.00 1.43 H new ATOM 0 HZ PHE A 80 0.827 13.870 -8.406 1.00 1.14 H new ATOM 1199 N VAL A 81 4.502 8.272 -7.321 1.00 0.75 N ATOM 1200 CA VAL A 81 4.338 6.879 -6.919 1.00 0.77 C ATOM 1201 C VAL A 81 2.953 6.374 -7.335 1.00 0.65 C ATOM 1202 O VAL A 81 1.932 6.920 -6.910 1.00 0.59 O ATOM 1203 CB VAL A 81 4.539 6.691 -5.394 1.00 0.88 C ATOM 1204 CG1 VAL A 81 3.677 7.660 -4.595 1.00 1.19 C ATOM 1205 CG2 VAL A 81 4.259 5.251 -4.983 1.00 1.58 C ATOM 0 H VAL A 81 3.660 8.839 -7.222 1.00 0.75 H new ATOM 0 HA VAL A 81 5.106 6.295 -7.426 1.00 0.77 H new ATOM 0 HB VAL A 81 5.582 6.914 -5.169 1.00 0.88 H new ATOM 0 HG11 VAL A 81 3.843 7.501 -3.529 1.00 1.19 H new ATOM 0 HG12 VAL A 81 3.945 8.684 -4.855 1.00 1.19 H new ATOM 0 HG13 VAL A 81 2.626 7.489 -4.828 1.00 1.19 H new ATOM 0 HG21 VAL A 81 4.407 5.144 -3.908 1.00 1.58 H new ATOM 0 HG22 VAL A 81 3.230 4.994 -5.235 1.00 1.58 H new ATOM 0 HG23 VAL A 81 4.939 4.583 -5.511 1.00 1.58 H new ATOM 1215 N TYR A 82 2.922 5.340 -8.173 1.00 0.72 N ATOM 1216 CA TYR A 82 1.653 4.784 -8.640 1.00 0.69 C ATOM 1217 C TYR A 82 1.245 3.573 -7.809 1.00 0.67 C ATOM 1218 O TYR A 82 1.743 2.462 -8.010 1.00 0.77 O ATOM 1219 CB TYR A 82 1.733 4.414 -10.121 1.00 0.85 C ATOM 1220 CG TYR A 82 0.380 4.226 -10.770 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.257 2.995 -10.728 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.258 5.275 -11.419 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.492 2.811 -11.314 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.494 5.099 -12.009 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.108 3.866 -11.953 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.341 3.687 -12.537 1.00 1.58 O ATOM 0 H TYR A 82 3.752 4.874 -8.540 1.00 0.72 H new ATOM 0 HA TYR A 82 0.889 5.552 -8.518 1.00 0.69 H new ATOM 0 HB2 TYR A 82 2.277 5.194 -10.653 1.00 0.85 H new ATOM 0 HB3 TYR A 82 2.309 3.495 -10.227 1.00 0.85 H new ATOM 0 HD1 TYR A 82 0.222 2.166 -10.228 1.00 1.57 H new ATOM 0 HD2 TYR A 82 0.220 6.243 -11.463 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -1.974 1.845 -11.272 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -1.977 5.923 -12.512 1.00 1.55 H new ATOM 0 HH TYR A 82 -3.636 4.529 -12.944 1.00 1.58 H new ATOM 1236 N LEU A 83 0.345 3.814 -6.862 1.00 0.62 N ATOM 1237 CA LEU A 83 -0.140 2.775 -5.967 1.00 0.65 C ATOM 1238 C LEU A 83 -1.404 2.107 -6.508 1.00 0.66 C ATOM 1239 O LEU A 83 -2.409 2.773 -6.770 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.420 3.380 -4.592 1.00 0.74 C ATOM 1241 CG LEU A 83 -0.011 2.514 -3.405 1.00 0.74 C ATOM 1242 CD1 LEU A 83 1.504 2.490 -3.253 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -0.672 3.023 -2.135 1.00 1.38 C ATOM 0 H LEU A 83 -0.066 4.732 -6.695 1.00 0.62 H new ATOM 0 HA LEU A 83 0.631 2.008 -5.888 1.00 0.65 H new ATOM 0 HB2 LEU A 83 0.100 4.335 -4.520 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -1.487 3.591 -4.516 1.00 0.74 H new ATOM 0 HG LEU A 83 -0.347 1.493 -3.586 1.00 0.74 H new ATOM 0 HD11 LEU A 83 1.774 1.867 -2.401 1.00 1.34 H new ATOM 0 HD12 LEU A 83 1.954 2.082 -4.158 1.00 1.34 H new ATOM 0 HD13 LEU A 83 1.870 3.504 -3.091 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -0.373 2.398 -1.294 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -0.362 4.052 -1.951 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -1.755 2.985 -2.248 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.349 0.783 -6.649 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.487 0.003 -7.129 1.00 0.68 C ATOM 1257 C LYS A 84 -3.105 -0.768 -5.975 1.00 0.65 C ATOM 1258 O LYS A 84 -2.451 -1.622 -5.382 1.00 0.68 O ATOM 1259 CB LYS A 84 -2.064 -0.959 -8.244 1.00 0.69 C ATOM 1260 CG LYS A 84 -2.135 -0.350 -9.636 1.00 0.76 C ATOM 1261 CD LYS A 84 -3.459 -0.666 -10.319 1.00 0.99 C ATOM 1262 CE LYS A 84 -4.620 0.074 -9.670 1.00 1.18 C ATOM 1263 NZ LYS A 84 -4.543 1.545 -9.896 1.00 1.56 N ATOM 0 H LYS A 84 -0.522 0.226 -6.436 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.227 0.689 -7.540 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.044 -1.294 -8.055 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -2.701 -1.843 -8.211 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -2.009 0.731 -9.568 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -1.312 -0.729 -10.242 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -3.398 -0.394 -11.373 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -3.643 -1.740 -10.277 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -5.560 -0.305 -10.070 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -4.625 -0.128 -8.599 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -5.431 1.990 -9.588 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -3.750 1.939 -9.350 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -4.394 1.733 -10.908 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.357 -0.452 -5.640 1.00 0.76 N ATOM 1278 CA VAL A 85 -5.037 -1.120 -4.533 1.00 0.74 C ATOM 1279 C VAL A 85 -6.372 -1.729 -4.963 1.00 0.91 C ATOM 1280 O VAL A 85 -7.197 -1.066 -5.596 1.00 1.17 O ATOM 1281 CB VAL A 85 -5.277 -0.158 -3.346 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -3.953 0.316 -2.763 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -6.137 1.028 -3.766 1.00 0.65 C ATOM 0 H VAL A 85 -4.916 0.257 -6.116 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.373 -1.923 -4.213 1.00 0.74 H new ATOM 0 HB VAL A 85 -5.816 -0.706 -2.573 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -4.144 0.992 -1.929 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -3.382 -0.543 -2.411 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -3.384 0.839 -3.531 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -6.289 1.688 -2.912 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -5.636 1.577 -4.563 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -7.102 0.669 -4.124 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.573 -2.998 -4.605 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.805 -3.714 -4.936 1.00 1.24 C ATOM 1295 C ALA A 86 -8.763 -3.734 -3.745 1.00 1.27 C ATOM 1296 O ALA A 86 -8.337 -3.622 -2.594 1.00 1.09 O ATOM 1297 CB ALA A 86 -7.486 -5.133 -5.384 1.00 1.46 C ATOM 0 H ALA A 86 -5.895 -3.553 -4.083 1.00 0.91 H new ATOM 0 HA ALA A 86 -8.295 -3.188 -5.756 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -8.412 -5.655 -5.627 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -6.845 -5.101 -6.265 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.972 -5.661 -4.581 1.00 1.46 H new ATOM 1303 N LYS A 87 -10.059 -3.876 -4.028 1.00 1.68 N ATOM 1304 CA LYS A 87 -11.075 -3.910 -2.977 1.00 1.86 C ATOM 1305 C LYS A 87 -11.494 -5.350 -2.662 1.00 1.91 C ATOM 1306 O LYS A 87 -11.704 -6.156 -3.570 1.00 2.04 O ATOM 1307 CB LYS A 87 -12.298 -3.085 -3.388 1.00 2.22 C ATOM 1308 CG LYS A 87 -12.773 -2.121 -2.310 1.00 2.53 C ATOM 1309 CD LYS A 87 -13.184 -0.778 -2.895 1.00 2.89 C ATOM 1310 CE LYS A 87 -14.637 -0.452 -2.582 1.00 3.28 C ATOM 1311 NZ LYS A 87 -15.016 0.912 -3.046 1.00 4.20 N ATOM 0 H LYS A 87 -10.428 -3.969 -4.974 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.641 -3.475 -2.077 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -12.059 -2.520 -4.289 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -13.113 -3.762 -3.643 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -13.617 -2.559 -1.777 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -11.978 -1.971 -1.580 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -12.540 0.006 -2.496 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -13.038 -0.791 -3.975 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -15.284 -1.189 -3.057 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -14.802 -0.528 -1.507 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -16.013 1.093 -2.813 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -14.416 1.618 -2.574 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -14.883 0.978 -4.075 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.620 -5.689 -1.360 1.00 1.88 N ATOM 1326 CA PRO A 88 -12.014 -7.036 -0.924 1.00 2.01 C ATOM 1327 C PRO A 88 -13.487 -7.337 -1.214 1.00 2.20 C ATOM 1328 O PRO A 88 -14.373 -6.601 -0.776 1.00 2.28 O ATOM 1329 CB PRO A 88 -11.763 -7.008 0.587 1.00 1.98 C ATOM 1330 CG PRO A 88 -11.883 -5.572 0.965 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.386 -4.785 -0.216 1.00 1.79 C ATOM 0 HA PRO A 88 -11.457 -7.812 -1.450 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -12.491 -7.620 1.120 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -10.776 -7.401 0.832 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -12.917 -5.315 1.197 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -11.293 -5.353 1.855 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -11.929 -3.847 -0.329 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -10.331 -4.533 -0.114 1.00 1.79 H new ATOM 1339 N THR A 89 -13.743 -8.421 -1.952 1.00 2.38 N ATOM 1340 CA THR A 89 -15.111 -8.812 -2.294 1.00 2.59 C ATOM 1341 C THR A 89 -15.272 -10.332 -2.243 1.00 2.77 C ATOM 1342 O THR A 89 -15.180 -11.013 -3.269 1.00 3.51 O ATOM 1343 CB THR A 89 -15.489 -8.284 -3.684 1.00 3.08 C ATOM 1344 OG1 THR A 89 -14.419 -8.448 -4.599 1.00 3.51 O ATOM 1345 CG2 THR A 89 -15.873 -6.818 -3.685 1.00 3.88 C ATOM 0 H THR A 89 -13.023 -9.041 -2.322 1.00 2.38 H new ATOM 0 HA THR A 89 -15.783 -8.371 -1.558 1.00 2.59 H new ATOM 0 HB THR A 89 -16.356 -8.872 -3.985 1.00 3.08 H new ATOM 0 HG1 THR A 89 -14.128 -9.384 -4.598 1.00 3.51 H new ATOM 0 HG21 THR A 89 -16.129 -6.510 -4.699 1.00 3.88 H new ATOM 0 HG22 THR A 89 -16.733 -6.667 -3.032 1.00 3.88 H new ATOM 0 HG23 THR A 89 -15.034 -6.222 -3.325 1.00 3.88 H new ATOM 1353 N GLY A 90 -15.510 -10.859 -1.040 1.00 2.75 N ATOM 1354 CA GLY A 90 -15.680 -12.295 -0.871 1.00 3.54 C ATOM 1355 C GLY A 90 -16.849 -12.665 0.033 1.00 4.20 C ATOM 1356 O GLY A 90 -16.950 -13.811 0.473 1.00 4.69 O ATOM 0 H GLY A 90 -15.588 -10.316 -0.180 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -15.828 -12.753 -1.849 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -14.763 -12.715 -0.457 1.00 3.54 H new ATOM 1360 N SER A 91 -17.731 -11.700 0.315 1.00 4.69 N ATOM 1361 CA SER A 91 -18.890 -11.940 1.174 1.00 5.64 C ATOM 1362 C SER A 91 -19.883 -12.895 0.509 1.00 5.73 C ATOM 1363 O SER A 91 -20.318 -13.871 1.121 1.00 6.47 O ATOM 1364 CB SER A 91 -19.584 -10.618 1.515 1.00 6.57 C ATOM 1365 OG SER A 91 -18.754 -9.796 2.316 1.00 7.06 O ATOM 0 H SER A 91 -17.662 -10.746 -0.040 1.00 4.69 H new ATOM 0 HA SER A 91 -18.534 -12.404 2.094 1.00 5.64 H new ATOM 0 HB2 SER A 91 -19.843 -10.092 0.596 1.00 6.57 H new ATOM 0 HB3 SER A 91 -20.517 -10.819 2.041 1.00 6.57 H new ATOM 0 HG SER A 91 -19.220 -8.958 2.518 1.00 7.06 H new ATOM 1371 N HIS A 92 -20.233 -12.607 -0.746 1.00 5.26 N ATOM 1372 CA HIS A 92 -21.172 -13.439 -1.495 1.00 5.60 C ATOM 1373 C HIS A 92 -20.446 -14.592 -2.184 1.00 5.37 C ATOM 1374 O HIS A 92 -20.094 -15.586 -1.548 1.00 5.46 O ATOM 1375 CB HIS A 92 -21.921 -12.600 -2.534 1.00 5.86 C ATOM 1376 CG HIS A 92 -23.272 -12.145 -2.076 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -24.409 -12.915 -2.205 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -23.666 -10.993 -1.484 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -25.444 -12.255 -1.715 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -25.020 -11.087 -1.270 1.00 7.84 N ATOM 0 H HIS A 92 -19.879 -11.803 -1.264 1.00 5.26 H new ATOM 0 HA HIS A 92 -21.892 -13.853 -0.789 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -21.319 -11.727 -2.786 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -22.034 -13.184 -3.447 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -23.034 -10.156 -1.228 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -26.463 -12.611 -1.684 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -25.603 -10.370 -0.837 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 3.870 -11.898 11.906 1.00 1.88 N ATOM 1391 CA ARG B 301 3.297 -10.578 11.515 1.00 1.27 C ATOM 1392 C ARG B 301 4.326 -9.461 11.677 1.00 1.29 C ATOM 1393 O ARG B 301 4.898 -9.284 12.755 1.00 2.06 O ATOM 1394 CB ARG B 301 2.066 -10.294 12.384 1.00 1.61 C ATOM 1395 CG ARG B 301 1.000 -11.378 12.309 1.00 2.13 C ATOM 1396 CD ARG B 301 -0.378 -10.835 12.658 1.00 2.72 C ATOM 1397 NE ARG B 301 -1.392 -11.889 12.693 1.00 3.09 N ATOM 1398 CZ ARG B 301 -2.602 -11.745 13.241 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -2.966 -10.587 13.785 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -3.454 -12.765 13.237 1.00 4.22 N ATOM 0 HA ARG B 301 3.010 -10.613 10.464 1.00 1.27 H new ATOM 0 HB2 ARG B 301 2.383 -10.180 13.421 1.00 1.61 H new ATOM 0 HB3 ARG B 301 1.628 -9.344 12.078 1.00 1.61 H new ATOM 0 HG2 ARG B 301 0.981 -11.801 11.305 1.00 2.13 H new ATOM 0 HG3 ARG B 301 1.256 -12.188 12.992 1.00 2.13 H new ATOM 0 HD2 ARG B 301 -0.337 -10.340 13.628 1.00 2.72 H new ATOM 0 HD3 ARG B 301 -0.666 -10.080 11.926 1.00 2.72 H new ATOM 0 HE ARG B 301 -1.161 -12.789 12.273 1.00 3.09 H new ATOM 0 HH11 ARG B 301 -2.319 -9.798 13.786 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -3.892 -10.488 14.201 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -3.183 -13.654 12.817 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -4.379 -12.659 13.654 1.00 4.22 H new ATOM 1416 N ARG B 302 4.560 -8.710 10.599 1.00 1.12 N ATOM 1417 CA ARG B 302 5.523 -7.611 10.621 1.00 1.03 C ATOM 1418 C ARG B 302 4.963 -6.376 9.919 1.00 1.02 C ATOM 1419 O ARG B 302 4.577 -6.434 8.749 1.00 1.45 O ATOM 1420 CB ARG B 302 6.836 -8.036 9.959 1.00 1.13 C ATOM 1421 CG ARG B 302 8.057 -7.311 10.503 1.00 1.12 C ATOM 1422 CD ARG B 302 9.328 -8.117 10.288 1.00 1.50 C ATOM 1423 NE ARG B 302 9.389 -9.294 11.156 1.00 2.09 N ATOM 1424 CZ ARG B 302 9.789 -9.267 12.432 1.00 2.72 C ATOM 1425 NH1 ARG B 302 10.166 -8.123 13.000 1.00 2.99 N ATOM 1426 NH2 ARG B 302 9.809 -10.389 13.142 1.00 3.57 N ATOM 0 H ARG B 302 4.095 -8.844 9.701 1.00 1.12 H new ATOM 0 HA ARG B 302 5.716 -7.357 11.663 1.00 1.03 H new ATOM 0 HB2 ARG B 302 6.971 -9.109 10.095 1.00 1.13 H new ATOM 0 HB3 ARG B 302 6.766 -7.857 8.886 1.00 1.13 H new ATOM 0 HG2 ARG B 302 8.153 -6.342 10.014 1.00 1.12 H new ATOM 0 HG3 ARG B 302 7.923 -7.119 11.568 1.00 1.12 H new ATOM 0 HD2 ARG B 302 9.384 -8.433 9.246 1.00 1.50 H new ATOM 0 HD3 ARG B 302 10.195 -7.483 10.476 1.00 1.50 H new ATOM 0 HE ARG B 302 9.109 -10.192 10.763 1.00 2.09 H new ATOM 0 HH11 ARG B 302 10.151 -7.257 12.461 1.00 2.99 H new ATOM 0 HH12 ARG B 302 10.469 -8.113 13.974 1.00 2.99 H new ATOM 0 HH21 ARG B 302 9.520 -11.269 12.714 1.00 3.57 H new ATOM 0 HH22 ARG B 302 10.114 -10.371 14.115 1.00 3.57 H new ATOM 1440 N GLU B 303 4.926 -5.261 10.646 1.00 0.69 N ATOM 1441 CA GLU B 303 4.421 -4.000 10.110 1.00 0.66 C ATOM 1442 C GLU B 303 5.497 -2.919 10.197 1.00 0.71 C ATOM 1443 O GLU B 303 5.841 -2.465 11.291 1.00 1.16 O ATOM 1444 CB GLU B 303 3.171 -3.562 10.879 1.00 0.71 C ATOM 1445 CG GLU B 303 1.909 -4.319 10.490 1.00 1.12 C ATOM 1446 CD GLU B 303 1.922 -5.770 10.943 1.00 1.54 C ATOM 1447 OE1 GLU B 303 2.061 -6.013 12.161 1.00 2.08 O ATOM 1448 OE2 GLU B 303 1.792 -6.665 10.079 1.00 1.99 O ATOM 0 H GLU B 303 5.242 -5.206 11.614 1.00 0.69 H new ATOM 0 HA GLU B 303 4.156 -4.147 9.063 1.00 0.66 H new ATOM 0 HB2 GLU B 303 3.348 -3.695 11.946 1.00 0.71 H new ATOM 0 HB3 GLU B 303 3.009 -2.497 10.713 1.00 0.71 H new ATOM 0 HG2 GLU B 303 1.043 -3.817 10.922 1.00 1.12 H new ATOM 0 HG3 GLU B 303 1.790 -4.283 9.407 1.00 1.12 H new ATOM 1455 N THR B 304 6.034 -2.520 9.043 1.00 0.55 N ATOM 1456 CA THR B 304 7.080 -1.502 8.999 1.00 0.55 C ATOM 1457 C THR B 304 6.594 -0.228 8.304 1.00 0.53 C ATOM 1458 O THR B 304 5.790 -0.284 7.372 1.00 0.54 O ATOM 1459 CB THR B 304 8.332 -2.060 8.304 1.00 0.55 C ATOM 1460 OG1 THR B 304 9.358 -2.307 9.248 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.913 -1.156 7.233 1.00 0.56 C ATOM 0 H THR B 304 5.762 -2.886 8.131 1.00 0.55 H new ATOM 0 HA THR B 304 7.337 -1.235 10.024 1.00 0.55 H new ATOM 0 HB THR B 304 7.990 -2.976 7.822 1.00 0.55 H new ATOM 0 HG1 THR B 304 10.147 -2.663 8.788 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.793 -1.628 6.796 1.00 0.56 H new ATOM 0 HG22 THR B 304 8.168 -0.988 6.455 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.196 -0.202 7.677 1.00 0.56 H new ATOM 1469 N GLN B 305 7.101 0.920 8.764 1.00 0.58 N ATOM 1470 CA GLN B 305 6.732 2.211 8.188 1.00 0.60 C ATOM 1471 C GLN B 305 7.497 2.467 6.894 1.00 0.58 C ATOM 1472 O GLN B 305 8.596 1.946 6.694 1.00 0.74 O ATOM 1473 CB GLN B 305 6.997 3.345 9.180 1.00 0.76 C ATOM 1474 CG GLN B 305 5.948 3.456 10.275 1.00 0.89 C ATOM 1475 CD GLN B 305 6.504 4.038 11.564 1.00 1.13 C ATOM 1476 OE1 GLN B 305 6.806 5.229 11.640 1.00 1.67 O ATOM 1477 NE2 GLN B 305 6.641 3.198 12.586 1.00 1.50 N ATOM 0 H GLN B 305 7.768 0.979 9.534 1.00 0.58 H new ATOM 0 HA GLN B 305 5.665 2.182 7.965 1.00 0.60 H new ATOM 0 HB2 GLN B 305 7.974 3.194 9.639 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.043 4.288 8.636 1.00 0.76 H new ATOM 0 HG2 GLN B 305 5.127 4.081 9.924 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.533 2.468 10.476 1.00 0.89 H new ATOM 0 HE21 GLN B 305 6.378 2.218 12.480 1.00 1.50 H new ATOM 0 HE22 GLN B 305 7.009 3.534 13.476 1.00 1.50 H new ATOM 1486 N VAL B 306 6.901 3.268 6.014 1.00 0.58 N ATOM 1487 CA VAL B 306 7.513 3.592 4.727 1.00 0.63 C ATOM 1488 C VAL B 306 7.199 5.028 4.292 1.00 0.77 C ATOM 1489 O VAL B 306 6.170 5.579 4.742 1.00 1.47 O ATOM 1490 CB VAL B 306 7.038 2.614 3.633 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.598 1.219 3.884 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.517 2.580 3.567 1.00 0.49 C ATOM 1493 OXT VAL B 306 7.988 5.588 3.503 1.00 1.14 O ATOM 0 H VAL B 306 5.993 3.706 6.169 1.00 0.58 H new ATOM 0 HA VAL B 306 8.591 3.498 4.857 1.00 0.63 H new ATOM 0 HB VAL B 306 7.412 2.965 2.672 1.00 0.54 H new ATOM 0 HG11 VAL B 306 7.253 0.542 3.102 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.687 1.257 3.876 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.255 0.858 4.854 1.00 0.51 H new ATOM 0 HG21 VAL B 306 5.202 1.884 2.789 1.00 0.49 H new ATOM 0 HG22 VAL B 306 5.118 2.255 4.528 1.00 0.49 H new ATOM 0 HG23 VAL B 306 5.140 3.577 3.337 1.00 0.49 H new TER 1503 VAL B 306