USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 18 CYS SG : rot 71:sc= 1.16 USER MOD Set 1.2: A 65 TYR OH : rot 130:sc= 0.0532 USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 6 TYR OH : rot 165:sc= -0.0299 USER MOD Single : A 2 SER OG : rot 180:sc= 0.219 USER MOD Single : A 7 SER OG : rot -23:sc= 0.621 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -176:sc= -0.0523 (180deg=-0.089) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.691 K(o=0.69,f=-0.2) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.194 F(o=-0.96,f=-0.19) USER MOD Single : A 33 ASN : amide:sc= 0.933 K(o=0.93,f=-0.26) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.41 K(o=-0.41,f=-8.3!) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0.00673 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.79! C(o=-1.8!,f=-12!) USER MOD Single : A 55 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.06 K(o=1.1,f=-1.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.116 USER MOD Single : A 71 GLN : amide:sc= 2.33 K(o=2.3,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -7.519 8.736 -17.418 1.00 2.39 N ATOM 2 CA SER A 2 -6.822 7.523 -17.019 1.00 2.24 C ATOM 3 C SER A 2 -6.899 7.446 -15.496 1.00 1.60 C ATOM 4 O SER A 2 -7.727 8.145 -14.906 1.00 2.99 O ATOM 5 CB SER A 2 -5.373 7.490 -17.534 1.00 3.56 C ATOM 6 OG SER A 2 -4.905 6.156 -17.485 1.00 4.87 O ATOM 0 HA SER A 2 -7.296 6.648 -17.465 1.00 2.24 H new ATOM 0 HB2 SER A 2 -5.326 7.870 -18.555 1.00 3.56 H new ATOM 0 HB3 SER A 2 -4.740 8.135 -16.924 1.00 3.56 H new ATOM 0 HG SER A 2 -3.982 6.121 -17.813 1.00 4.87 H new ATOM 12 N GLY A 3 -6.047 6.617 -14.897 1.00 1.21 N ATOM 13 CA GLY A 3 -6.017 6.323 -13.475 1.00 0.92 C ATOM 14 C GLY A 3 -6.416 4.867 -13.280 1.00 0.79 C ATOM 15 O GLY A 3 -7.440 4.443 -13.816 1.00 0.96 O ATOM 0 H GLY A 3 -5.329 6.112 -15.417 1.00 1.21 H new ATOM 0 HA2 GLY A 3 -5.020 6.501 -13.071 1.00 0.92 H new ATOM 0 HA3 GLY A 3 -6.701 6.980 -12.937 1.00 0.92 H new ATOM 19 N THR A 4 -5.618 4.097 -12.535 1.00 0.66 N ATOM 20 CA THR A 4 -5.952 2.718 -12.204 1.00 0.54 C ATOM 21 C THR A 4 -5.789 2.531 -10.711 1.00 0.47 C ATOM 22 O THR A 4 -4.868 3.078 -10.099 1.00 0.51 O ATOM 23 CB THR A 4 -5.045 1.707 -12.914 1.00 0.56 C ATOM 24 OG1 THR A 4 -4.463 2.277 -14.049 1.00 0.85 O ATOM 25 CG2 THR A 4 -5.721 0.373 -13.235 1.00 0.79 C ATOM 0 H THR A 4 -4.729 4.414 -12.149 1.00 0.66 H new ATOM 0 HA THR A 4 -6.976 2.538 -12.530 1.00 0.54 H new ATOM 0 HB THR A 4 -4.259 1.458 -12.202 1.00 0.56 H new ATOM 0 HG1 THR A 4 -3.886 1.617 -14.487 1.00 0.85 H new ATOM 0 HG21 THR A 4 -5.010 -0.284 -13.736 1.00 0.79 H new ATOM 0 HG22 THR A 4 -6.058 -0.096 -12.311 1.00 0.79 H new ATOM 0 HG23 THR A 4 -6.577 0.546 -13.887 1.00 0.79 H new ATOM 33 N ARG A 5 -6.648 1.668 -10.187 1.00 0.41 N ATOM 34 CA ARG A 5 -6.655 1.275 -8.804 1.00 0.37 C ATOM 35 C ARG A 5 -5.929 -0.055 -8.666 1.00 0.29 C ATOM 36 O ARG A 5 -6.075 -0.940 -9.505 1.00 0.55 O ATOM 37 CB ARG A 5 -8.100 1.139 -8.337 1.00 0.56 C ATOM 38 CG ARG A 5 -8.083 0.749 -6.864 1.00 0.73 C ATOM 39 CD ARG A 5 -9.495 0.628 -6.326 1.00 0.98 C ATOM 40 NE ARG A 5 -10.013 1.927 -5.877 1.00 1.57 N ATOM 41 CZ ARG A 5 -11.258 2.082 -5.399 1.00 2.31 C ATOM 42 NH1 ARG A 5 -12.152 1.094 -5.538 1.00 2.52 N ATOM 43 NH2 ARG A 5 -11.599 3.197 -4.752 1.00 3.48 N ATOM 0 H ARG A 5 -7.377 1.214 -10.737 1.00 0.41 H new ATOM 0 HA ARG A 5 -6.150 2.023 -8.192 1.00 0.37 H new ATOM 0 HB2 ARG A 5 -8.636 2.078 -8.477 1.00 0.56 H new ATOM 0 HB3 ARG A 5 -8.621 0.384 -8.925 1.00 0.56 H new ATOM 0 HG2 ARG A 5 -7.559 -0.198 -6.739 1.00 0.73 H new ATOM 0 HG3 ARG A 5 -7.533 1.496 -6.291 1.00 0.73 H new ATOM 0 HD2 ARG A 5 -10.147 0.223 -7.100 1.00 0.98 H new ATOM 0 HD3 ARG A 5 -9.510 -0.078 -5.495 1.00 0.98 H new ATOM 0 HE ARG A 5 -9.403 2.743 -5.930 1.00 1.57 H new ATOM 0 HH11 ARG A 5 -11.886 0.227 -6.006 1.00 2.52 H new ATOM 0 HH12 ARG A 5 -13.099 1.208 -5.176 1.00 2.52 H new ATOM 0 HH21 ARG A 5 -10.912 3.939 -4.618 1.00 3.48 H new ATOM 0 HH22 ARG A 5 -12.547 3.308 -4.392 1.00 3.48 H new ATOM 57 N TYR A 6 -5.169 -0.170 -7.582 1.00 0.27 N ATOM 58 CA TYR A 6 -4.451 -1.349 -7.138 1.00 0.23 C ATOM 59 C TYR A 6 -4.845 -1.693 -5.705 1.00 0.23 C ATOM 60 O TYR A 6 -4.623 -0.860 -4.828 1.00 0.39 O ATOM 61 CB TYR A 6 -2.963 -1.045 -7.262 1.00 0.34 C ATOM 62 CG TYR A 6 -2.577 -0.352 -8.542 1.00 0.56 C ATOM 63 CD1 TYR A 6 -2.961 -0.900 -9.778 1.00 1.39 C ATOM 64 CD2 TYR A 6 -2.051 0.946 -8.486 1.00 2.09 C ATOM 65 CE1 TYR A 6 -2.717 -0.195 -10.964 1.00 1.37 C ATOM 66 CE2 TYR A 6 -1.878 1.671 -9.668 1.00 2.34 C ATOM 67 CZ TYR A 6 -2.109 1.070 -10.911 1.00 1.15 C ATOM 68 OH TYR A 6 -1.805 1.754 -12.052 1.00 1.45 O ATOM 0 H TYR A 6 -5.032 0.618 -6.949 1.00 0.27 H new ATOM 0 HA TYR A 6 -4.697 -2.218 -7.748 1.00 0.23 H new ATOM 0 HB2 TYR A 6 -2.660 -0.423 -6.420 1.00 0.34 H new ATOM 0 HB3 TYR A 6 -2.406 -1.979 -7.186 1.00 0.34 H new ATOM 0 HD1 TYR A 6 -3.444 -1.865 -9.814 1.00 1.39 H new ATOM 0 HD2 TYR A 6 -1.781 1.383 -7.536 1.00 2.09 H new ATOM 0 HE1 TYR A 6 -2.996 -0.623 -11.916 1.00 1.37 H new ATOM 0 HE2 TYR A 6 -1.564 2.703 -9.622 1.00 2.34 H new ATOM 0 HH TYR A 6 -1.618 2.690 -11.832 1.00 1.45 H new ATOM 78 N SER A 7 -5.415 -2.886 -5.454 1.00 0.26 N ATOM 79 CA SER A 7 -5.729 -3.354 -4.107 1.00 0.28 C ATOM 80 C SER A 7 -4.647 -4.329 -3.602 1.00 0.26 C ATOM 81 O SER A 7 -4.026 -5.019 -4.408 1.00 0.27 O ATOM 82 CB SER A 7 -7.146 -3.945 -4.088 1.00 0.34 C ATOM 83 OG SER A 7 -7.313 -5.038 -4.969 1.00 2.07 O ATOM 0 H SER A 7 -5.668 -3.548 -6.187 1.00 0.26 H new ATOM 0 HA SER A 7 -5.722 -2.518 -3.408 1.00 0.28 H new ATOM 0 HB2 SER A 7 -7.383 -4.266 -3.074 1.00 0.34 H new ATOM 0 HB3 SER A 7 -7.860 -3.165 -4.351 1.00 0.34 H new ATOM 0 HG SER A 7 -6.635 -4.996 -5.675 1.00 2.07 H new ATOM 89 N TRP A 8 -4.381 -4.353 -2.286 1.00 0.24 N ATOM 90 CA TRP A 8 -3.639 -5.411 -1.595 1.00 0.28 C ATOM 91 C TRP A 8 -4.369 -5.747 -0.296 1.00 0.30 C ATOM 92 O TRP A 8 -5.115 -4.920 0.240 1.00 0.37 O ATOM 93 CB TRP A 8 -2.194 -5.066 -1.215 1.00 0.30 C ATOM 94 CG TRP A 8 -1.266 -4.385 -2.163 1.00 0.31 C ATOM 95 CD1 TRP A 8 -0.080 -4.826 -2.614 1.00 0.52 C ATOM 96 CD2 TRP A 8 -1.406 -3.106 -2.801 1.00 0.40 C ATOM 97 NE1 TRP A 8 0.609 -3.732 -3.136 1.00 0.88 N ATOM 98 CE2 TRP A 8 -0.114 -2.551 -2.971 1.00 0.88 C ATOM 99 CE3 TRP A 8 -2.224 -2.701 -3.863 1.00 0.73 C ATOM 100 CZ2 TRP A 8 -0.087 -1.294 -3.627 1.00 1.10 C ATOM 101 CZ3 TRP A 8 -1.527 -2.370 -5.065 1.00 0.73 C ATOM 102 CH2 TRP A 8 -0.567 -1.369 -4.924 1.00 0.51 C ATOM 0 H TRP A 8 -4.688 -3.611 -1.657 1.00 0.24 H new ATOM 0 HA TRP A 8 -3.591 -6.236 -2.306 1.00 0.28 H new ATOM 0 HB2 TRP A 8 -2.245 -4.442 -0.323 1.00 0.30 H new ATOM 0 HB3 TRP A 8 -1.715 -6.000 -0.923 1.00 0.30 H new ATOM 0 HD1 TRP A 8 0.276 -5.845 -2.579 1.00 0.52 H new ATOM 0 HE1 TRP A 8 1.525 -3.788 -3.582 1.00 0.88 H new ATOM 0 HE3 TRP A 8 -3.299 -2.643 -3.780 1.00 0.73 H new ATOM 0 HZ2 TRP A 8 0.267 -0.383 -3.168 1.00 1.10 H new ATOM 0 HZ3 TRP A 8 -1.728 -2.857 -6.008 1.00 0.73 H new ATOM 0 HH2 TRP A 8 -0.237 -0.729 -5.729 1.00 0.51 H new ATOM 113 N LYS A 9 -4.085 -6.945 0.215 1.00 0.31 N ATOM 114 CA LYS A 9 -4.560 -7.477 1.481 1.00 0.30 C ATOM 115 C LYS A 9 -3.329 -7.528 2.386 1.00 0.35 C ATOM 116 O LYS A 9 -2.421 -8.304 2.088 1.00 0.51 O ATOM 117 CB LYS A 9 -5.106 -8.898 1.236 1.00 0.37 C ATOM 118 CG LYS A 9 -6.192 -8.967 0.145 1.00 1.53 C ATOM 119 CD LYS A 9 -5.968 -10.165 -0.797 1.00 1.08 C ATOM 120 CE LYS A 9 -6.217 -11.524 -0.130 1.00 1.18 C ATOM 121 NZ LYS A 9 -7.660 -11.767 0.083 1.00 2.55 N ATOM 0 H LYS A 9 -3.482 -7.604 -0.277 1.00 0.31 H new ATOM 0 HA LYS A 9 -5.353 -6.877 1.928 1.00 0.30 H new ATOM 0 HB2 LYS A 9 -4.280 -9.551 0.955 1.00 0.37 H new ATOM 0 HB3 LYS A 9 -5.516 -9.286 2.169 1.00 0.37 H new ATOM 0 HG2 LYS A 9 -7.174 -9.048 0.612 1.00 1.53 H new ATOM 0 HG3 LYS A 9 -6.189 -8.043 -0.433 1.00 1.53 H new ATOM 0 HD2 LYS A 9 -6.627 -10.067 -1.660 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -4.945 -10.136 -1.172 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -5.801 -12.317 -0.752 1.00 1.18 H new ATOM 0 HE3 LYS A 9 -5.696 -11.562 0.826 1.00 1.18 H new ATOM 0 HZ1 LYS A 9 -7.793 -12.694 0.535 1.00 2.55 H new ATOM 0 HZ2 LYS A 9 -8.050 -11.023 0.696 1.00 2.55 H new ATOM 0 HZ3 LYS A 9 -8.153 -11.755 -0.833 1.00 2.55 H new ATOM 135 N VAL A 10 -3.249 -6.687 3.423 1.00 0.32 N ATOM 136 CA VAL A 10 -2.101 -6.630 4.321 1.00 0.39 C ATOM 137 C VAL A 10 -2.421 -7.411 5.603 1.00 0.50 C ATOM 138 O VAL A 10 -3.564 -7.808 5.814 1.00 1.09 O ATOM 139 CB VAL A 10 -1.749 -5.154 4.603 1.00 0.44 C ATOM 140 CG1 VAL A 10 -0.265 -5.004 4.939 1.00 0.55 C ATOM 141 CG2 VAL A 10 -2.002 -4.249 3.392 1.00 0.45 C ATOM 0 H VAL A 10 -3.987 -6.024 3.660 1.00 0.32 H new ATOM 0 HA VAL A 10 -1.228 -7.095 3.863 1.00 0.39 H new ATOM 0 HB VAL A 10 -2.387 -4.858 5.435 1.00 0.44 H new ATOM 0 HG11 VAL A 10 -0.040 -3.955 5.134 1.00 0.55 H new ATOM 0 HG12 VAL A 10 -0.031 -5.596 5.824 1.00 0.55 H new ATOM 0 HG13 VAL A 10 0.335 -5.354 4.099 1.00 0.55 H new ATOM 0 HG21 VAL A 10 -1.738 -3.222 3.644 1.00 0.45 H new ATOM 0 HG22 VAL A 10 -1.392 -4.585 2.553 1.00 0.45 H new ATOM 0 HG23 VAL A 10 -3.056 -4.296 3.117 1.00 0.45 H new ATOM 151 N SER A 11 -1.419 -7.627 6.463 1.00 0.33 N ATOM 152 CA SER A 11 -1.603 -8.146 7.811 1.00 0.41 C ATOM 153 C SER A 11 -0.604 -7.444 8.738 1.00 0.54 C ATOM 154 O SER A 11 0.600 -7.644 8.597 1.00 0.75 O ATOM 155 CB SER A 11 -1.403 -9.674 7.817 1.00 0.56 C ATOM 156 OG SER A 11 -2.532 -10.335 8.360 1.00 0.89 O ATOM 0 H SER A 11 -0.443 -7.441 6.232 1.00 0.33 H new ATOM 0 HA SER A 11 -2.615 -7.948 8.165 1.00 0.41 H new ATOM 0 HB2 SER A 11 -1.227 -10.025 6.800 1.00 0.56 H new ATOM 0 HB3 SER A 11 -0.516 -9.925 8.399 1.00 0.56 H new ATOM 0 HG SER A 11 -2.380 -11.303 8.351 1.00 0.89 H new ATOM 162 N GLY A 12 -1.099 -6.629 9.671 1.00 0.57 N ATOM 163 CA GLY A 12 -0.334 -5.991 10.738 1.00 0.77 C ATOM 164 C GLY A 12 -0.707 -4.515 10.904 1.00 0.80 C ATOM 165 O GLY A 12 -0.478 -3.920 11.958 1.00 0.96 O ATOM 0 H GLY A 12 -2.089 -6.386 9.703 1.00 0.57 H new ATOM 0 HA2 GLY A 12 -0.510 -6.518 11.676 1.00 0.77 H new ATOM 0 HA3 GLY A 12 0.731 -6.074 10.521 1.00 0.77 H new ATOM 169 N MET A 13 -1.236 -3.891 9.853 1.00 0.72 N ATOM 170 CA MET A 13 -1.578 -2.489 9.853 1.00 0.80 C ATOM 171 C MET A 13 -2.908 -2.271 10.565 1.00 0.97 C ATOM 172 O MET A 13 -3.928 -2.109 9.906 1.00 1.32 O ATOM 173 CB MET A 13 -1.563 -2.000 8.398 1.00 0.73 C ATOM 174 CG MET A 13 -1.718 -0.483 8.267 1.00 1.74 C ATOM 175 SD MET A 13 -3.312 0.159 7.672 1.00 2.24 S ATOM 176 CE MET A 13 -3.370 -0.504 5.994 1.00 1.94 C ATOM 0 H MET A 13 -1.438 -4.361 8.970 1.00 0.72 H new ATOM 0 HA MET A 13 -0.852 -1.897 10.411 1.00 0.80 H new ATOM 0 HB2 MET A 13 -0.627 -2.304 7.929 1.00 0.73 H new ATOM 0 HB3 MET A 13 -2.368 -2.489 7.849 1.00 0.73 H new ATOM 0 HG2 MET A 13 -1.523 -0.041 9.244 1.00 1.74 H new ATOM 0 HG3 MET A 13 -0.940 -0.124 7.593 1.00 1.74 H new ATOM 0 HE1 MET A 13 -4.259 -0.131 5.486 1.00 1.94 H new ATOM 0 HE2 MET A 13 -2.481 -0.189 5.447 1.00 1.94 H new ATOM 0 HE3 MET A 13 -3.404 -1.593 6.034 1.00 1.94 H new ATOM 186 N ASP A 14 -2.870 -2.192 11.901 1.00 0.97 N ATOM 187 CA ASP A 14 -4.007 -1.742 12.702 1.00 1.12 C ATOM 188 C ASP A 14 -3.546 -0.982 13.954 1.00 1.08 C ATOM 189 O ASP A 14 -3.804 -1.391 15.082 1.00 1.52 O ATOM 190 CB ASP A 14 -4.970 -2.905 12.986 1.00 1.57 C ATOM 191 CG ASP A 14 -6.394 -2.399 13.186 1.00 2.41 C ATOM 192 OD1 ASP A 14 -6.940 -1.841 12.206 1.00 3.68 O ATOM 193 OD2 ASP A 14 -6.920 -2.569 14.306 1.00 2.81 O ATOM 0 H ASP A 14 -2.049 -2.439 12.454 1.00 0.97 H new ATOM 0 HA ASP A 14 -4.582 -1.016 12.126 1.00 1.12 H new ATOM 0 HB2 ASP A 14 -4.945 -3.613 12.158 1.00 1.57 H new ATOM 0 HB3 ASP A 14 -4.643 -3.443 13.876 1.00 1.57 H new ATOM 198 N CYS A 15 -2.837 0.139 13.747 1.00 0.69 N ATOM 199 CA CYS A 15 -2.411 1.047 14.823 1.00 0.68 C ATOM 200 C CYS A 15 -2.625 2.515 14.435 1.00 0.92 C ATOM 201 O CYS A 15 -3.719 3.045 14.600 1.00 2.32 O ATOM 202 CB CYS A 15 -0.961 0.764 15.262 1.00 0.66 C ATOM 203 SG CYS A 15 -0.901 -0.391 16.654 1.00 1.64 S ATOM 0 H CYS A 15 -2.541 0.443 12.819 1.00 0.69 H new ATOM 0 HA CYS A 15 -3.044 0.853 15.689 1.00 0.68 H new ATOM 0 HB2 CYS A 15 -0.400 0.353 14.423 1.00 0.66 H new ATOM 0 HB3 CYS A 15 -0.476 1.699 15.543 1.00 0.66 H new ATOM 0 HG CYS A 15 0.337 -0.603 16.989 1.00 1.64 H new ATOM 209 N ALA A 16 -1.584 3.197 13.938 1.00 0.70 N ATOM 210 CA ALA A 16 -1.627 4.619 13.589 1.00 0.70 C ATOM 211 C ALA A 16 -0.399 4.970 12.752 1.00 0.93 C ATOM 212 O ALA A 16 -0.504 5.353 11.583 1.00 2.01 O ATOM 213 CB ALA A 16 -1.695 5.484 14.853 1.00 1.14 C ATOM 0 H ALA A 16 -0.675 2.767 13.765 1.00 0.70 H new ATOM 0 HA ALA A 16 -2.524 4.820 13.004 1.00 0.70 H new ATOM 0 HB1 ALA A 16 -1.726 6.537 14.572 1.00 1.14 H new ATOM 0 HB2 ALA A 16 -2.592 5.232 15.418 1.00 1.14 H new ATOM 0 HB3 ALA A 16 -0.815 5.299 15.469 1.00 1.14 H new ATOM 219 N ALA A 17 0.779 4.806 13.356 1.00 0.62 N ATOM 220 CA ALA A 17 2.059 5.025 12.699 1.00 0.62 C ATOM 221 C ALA A 17 2.246 4.070 11.519 1.00 0.48 C ATOM 222 O ALA A 17 2.927 4.411 10.556 1.00 0.56 O ATOM 223 CB ALA A 17 3.188 4.842 13.716 1.00 0.92 C ATOM 0 H ALA A 17 0.867 4.513 14.329 1.00 0.62 H new ATOM 0 HA ALA A 17 2.081 6.042 12.307 1.00 0.62 H new ATOM 0 HB1 ALA A 17 4.148 5.005 13.227 1.00 0.92 H new ATOM 0 HB2 ALA A 17 3.067 5.560 14.527 1.00 0.92 H new ATOM 0 HB3 ALA A 17 3.154 3.830 14.119 1.00 0.92 H new ATOM 229 N CYS A 18 1.644 2.878 11.595 1.00 0.41 N ATOM 230 CA CYS A 18 1.810 1.836 10.604 1.00 0.41 C ATOM 231 C CYS A 18 1.063 2.243 9.345 1.00 0.35 C ATOM 232 O CYS A 18 1.615 2.188 8.251 1.00 0.32 O ATOM 233 CB CYS A 18 1.306 0.500 11.145 1.00 0.55 C ATOM 234 SG CYS A 18 1.534 -0.695 9.816 1.00 2.86 S ATOM 0 H CYS A 18 1.022 2.617 12.360 1.00 0.41 H new ATOM 0 HA CYS A 18 2.866 1.709 10.367 1.00 0.41 H new ATOM 0 HB2 CYS A 18 1.863 0.205 12.034 1.00 0.55 H new ATOM 0 HB3 CYS A 18 0.257 0.567 11.433 1.00 0.55 H new ATOM 0 HG CYS A 18 2.802 -0.941 9.666 1.00 2.86 H new ATOM 240 N ALA A 19 -0.176 2.721 9.515 1.00 0.42 N ATOM 241 CA ALA A 19 -0.949 3.215 8.390 1.00 0.48 C ATOM 242 C ALA A 19 -0.177 4.290 7.641 1.00 0.45 C ATOM 243 O ALA A 19 -0.093 4.259 6.414 1.00 0.49 O ATOM 244 CB ALA A 19 -2.318 3.744 8.814 1.00 0.61 C ATOM 0 H ALA A 19 -0.653 2.772 10.415 1.00 0.42 H new ATOM 0 HA ALA A 19 -1.120 2.368 7.725 1.00 0.48 H new ATOM 0 HB1 ALA A 19 -2.857 4.102 7.937 1.00 0.61 H new ATOM 0 HB2 ALA A 19 -2.886 2.944 9.288 1.00 0.61 H new ATOM 0 HB3 ALA A 19 -2.188 4.564 9.520 1.00 0.61 H new ATOM 250 N ARG A 20 0.421 5.235 8.373 1.00 0.43 N ATOM 251 CA ARG A 20 1.239 6.205 7.710 1.00 0.45 C ATOM 252 C ARG A 20 2.428 5.521 7.053 1.00 0.34 C ATOM 253 O ARG A 20 2.635 5.724 5.870 1.00 0.37 O ATOM 254 CB ARG A 20 1.617 7.382 8.585 1.00 0.57 C ATOM 255 CG ARG A 20 0.358 8.131 9.057 1.00 0.74 C ATOM 256 CD ARG A 20 0.464 8.574 10.521 1.00 0.97 C ATOM 257 NE ARG A 20 -0.738 9.312 10.945 1.00 1.45 N ATOM 258 CZ ARG A 20 -1.941 8.779 11.225 1.00 2.75 C ATOM 259 NH1 ARG A 20 -2.126 7.455 11.216 1.00 4.25 N ATOM 260 NH2 ARG A 20 -2.968 9.585 11.519 1.00 3.15 N ATOM 0 H ARG A 20 0.348 5.333 9.386 1.00 0.43 H new ATOM 0 HA ARG A 20 0.642 6.660 6.920 1.00 0.45 H new ATOM 0 HB2 ARG A 20 2.185 7.033 9.448 1.00 0.57 H new ATOM 0 HB3 ARG A 20 2.265 8.061 8.031 1.00 0.57 H new ATOM 0 HG2 ARG A 20 0.199 9.005 8.425 1.00 0.74 H new ATOM 0 HG3 ARG A 20 -0.513 7.487 8.936 1.00 0.74 H new ATOM 0 HD2 ARG A 20 0.601 7.701 11.159 1.00 0.97 H new ATOM 0 HD3 ARG A 20 1.344 9.204 10.650 1.00 0.97 H new ATOM 0 HE ARG A 20 -0.650 10.324 11.035 1.00 1.45 H new ATOM 0 HH11 ARG A 20 -1.349 6.833 10.995 1.00 4.25 H new ATOM 0 HH12 ARG A 20 -3.045 7.067 11.431 1.00 4.25 H new ATOM 0 HH21 ARG A 20 -2.836 10.596 11.530 1.00 3.15 H new ATOM 0 HH22 ARG A 20 -3.883 9.188 11.732 1.00 3.15 H new ATOM 274 N LYS A 21 3.193 4.694 7.767 1.00 0.28 N ATOM 275 CA LYS A 21 4.311 3.968 7.168 1.00 0.25 C ATOM 276 C LYS A 21 3.938 3.345 5.821 1.00 0.23 C ATOM 277 O LYS A 21 4.682 3.505 4.858 1.00 0.26 O ATOM 278 CB LYS A 21 4.858 2.904 8.127 1.00 0.32 C ATOM 279 CG LYS A 21 6.255 3.266 8.641 1.00 0.70 C ATOM 280 CD LYS A 21 6.176 4.375 9.700 1.00 1.07 C ATOM 281 CE LYS A 21 7.556 4.989 9.980 1.00 2.02 C ATOM 282 NZ LYS A 21 7.862 6.116 9.073 1.00 3.29 N ATOM 0 H LYS A 21 3.058 4.511 8.761 1.00 0.28 H new ATOM 0 HA LYS A 21 5.099 4.698 6.981 1.00 0.25 H new ATOM 0 HB2 LYS A 21 4.178 2.792 8.971 1.00 0.32 H new ATOM 0 HB3 LYS A 21 4.896 1.941 7.618 1.00 0.32 H new ATOM 0 HG2 LYS A 21 6.731 2.383 9.068 1.00 0.70 H new ATOM 0 HG3 LYS A 21 6.879 3.594 7.810 1.00 0.70 H new ATOM 0 HD2 LYS A 21 5.493 5.154 9.362 1.00 1.07 H new ATOM 0 HD3 LYS A 21 5.764 3.968 10.624 1.00 1.07 H new ATOM 0 HE2 LYS A 21 7.594 5.336 11.013 1.00 2.02 H new ATOM 0 HE3 LYS A 21 8.322 4.221 9.873 1.00 2.02 H new ATOM 0 HZ1 LYS A 21 8.802 6.498 9.299 1.00 3.29 H new ATOM 0 HZ2 LYS A 21 7.852 5.782 8.088 1.00 3.29 H new ATOM 0 HZ3 LYS A 21 7.147 6.862 9.193 1.00 3.29 H new ATOM 296 N VAL A 22 2.785 2.682 5.736 1.00 0.30 N ATOM 297 CA VAL A 22 2.281 2.157 4.486 1.00 0.40 C ATOM 298 C VAL A 22 2.131 3.274 3.463 1.00 0.38 C ATOM 299 O VAL A 22 2.766 3.217 2.414 1.00 0.45 O ATOM 300 CB VAL A 22 0.911 1.527 4.729 1.00 0.48 C ATOM 301 CG1 VAL A 22 0.192 1.176 3.433 1.00 0.58 C ATOM 302 CG2 VAL A 22 1.002 0.228 5.536 1.00 0.50 C ATOM 0 H VAL A 22 2.181 2.498 6.537 1.00 0.30 H new ATOM 0 HA VAL A 22 2.983 1.415 4.105 1.00 0.40 H new ATOM 0 HB VAL A 22 0.358 2.287 5.281 1.00 0.48 H new ATOM 0 HG11 VAL A 22 -0.776 0.732 3.663 1.00 0.58 H new ATOM 0 HG12 VAL A 22 0.045 2.080 2.842 1.00 0.58 H new ATOM 0 HG13 VAL A 22 0.792 0.465 2.865 1.00 0.58 H new ATOM 0 HG21 VAL A 22 0.002 -0.181 5.682 1.00 0.50 H new ATOM 0 HG22 VAL A 22 1.614 -0.494 4.995 1.00 0.50 H new ATOM 0 HG23 VAL A 22 1.455 0.433 6.506 1.00 0.50 H new ATOM 312 N GLU A 23 1.260 4.261 3.710 1.00 0.38 N ATOM 313 CA GLU A 23 0.959 5.211 2.648 1.00 0.44 C ATOM 314 C GLU A 23 2.257 5.910 2.255 1.00 0.33 C ATOM 315 O GLU A 23 2.504 6.155 1.092 1.00 0.30 O ATOM 316 CB GLU A 23 -0.162 6.205 2.998 1.00 0.58 C ATOM 317 CG GLU A 23 0.243 7.178 4.103 1.00 0.57 C ATOM 318 CD GLU A 23 -0.745 8.326 4.301 1.00 0.85 C ATOM 319 OE1 GLU A 23 -0.864 9.149 3.362 1.00 2.06 O ATOM 320 OE2 GLU A 23 -1.315 8.394 5.409 1.00 1.62 O ATOM 0 H GLU A 23 0.775 4.415 4.594 1.00 0.38 H new ATOM 0 HA GLU A 23 0.559 4.661 1.797 1.00 0.44 H new ATOM 0 HB2 GLU A 23 -0.436 6.768 2.106 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -1.048 5.653 3.311 1.00 0.58 H new ATOM 0 HG2 GLU A 23 0.342 6.630 5.040 1.00 0.57 H new ATOM 0 HG3 GLU A 23 1.225 7.591 3.870 1.00 0.57 H new ATOM 327 N ASN A 24 3.134 6.173 3.219 1.00 0.32 N ATOM 328 CA ASN A 24 4.440 6.776 3.027 1.00 0.32 C ATOM 329 C ASN A 24 5.330 5.872 2.166 1.00 0.29 C ATOM 330 O ASN A 24 6.025 6.360 1.272 1.00 0.30 O ATOM 331 CB ASN A 24 5.049 7.098 4.395 1.00 0.42 C ATOM 332 CG ASN A 24 4.441 8.350 5.043 1.00 0.45 C ATOM 333 OD1 ASN A 24 5.115 9.362 5.196 1.00 0.74 O ATOM 334 ND2 ASN A 24 3.172 8.291 5.445 1.00 0.46 N ATOM 0 H ASN A 24 2.941 5.960 4.198 1.00 0.32 H new ATOM 0 HA ASN A 24 4.348 7.714 2.480 1.00 0.32 H new ATOM 0 HB2 ASN A 24 4.906 6.246 5.060 1.00 0.42 H new ATOM 0 HB3 ASN A 24 6.124 7.239 4.284 1.00 0.42 H new ATOM 0 HD21 ASN A 24 2.740 9.100 5.892 1.00 0.46 H new ATOM 0 HD22 ASN A 24 2.632 7.437 5.306 1.00 0.46 H new ATOM 341 N ALA A 25 5.270 4.554 2.384 1.00 0.31 N ATOM 342 CA ALA A 25 5.899 3.556 1.522 1.00 0.33 C ATOM 343 C ALA A 25 5.411 3.651 0.071 1.00 0.29 C ATOM 344 O ALA A 25 6.091 3.170 -0.832 1.00 0.32 O ATOM 345 CB ALA A 25 5.717 2.145 2.094 1.00 0.42 C ATOM 0 H ALA A 25 4.775 4.148 3.178 1.00 0.31 H new ATOM 0 HA ALA A 25 6.967 3.772 1.501 1.00 0.33 H new ATOM 0 HB1 ALA A 25 6.194 1.421 1.434 1.00 0.42 H new ATOM 0 HB2 ALA A 25 6.174 2.091 3.082 1.00 0.42 H new ATOM 0 HB3 ALA A 25 4.654 1.919 2.173 1.00 0.42 H new ATOM 351 N VAL A 26 4.255 4.280 -0.159 1.00 0.27 N ATOM 352 CA VAL A 26 3.671 4.502 -1.474 1.00 0.27 C ATOM 353 C VAL A 26 3.984 5.930 -1.967 1.00 0.25 C ATOM 354 O VAL A 26 4.418 6.140 -3.095 1.00 0.28 O ATOM 355 CB VAL A 26 2.163 4.192 -1.373 1.00 0.36 C ATOM 356 CG1 VAL A 26 1.461 4.369 -2.708 1.00 1.44 C ATOM 357 CG2 VAL A 26 1.938 2.753 -0.906 1.00 1.76 C ATOM 0 H VAL A 26 3.684 4.660 0.596 1.00 0.27 H new ATOM 0 HA VAL A 26 4.103 3.840 -2.225 1.00 0.27 H new ATOM 0 HB VAL A 26 1.748 4.896 -0.652 1.00 0.36 H new ATOM 0 HG11 VAL A 26 0.401 4.141 -2.595 1.00 1.44 H new ATOM 0 HG12 VAL A 26 1.577 5.399 -3.046 1.00 1.44 H new ATOM 0 HG13 VAL A 26 1.901 3.694 -3.443 1.00 1.44 H new ATOM 0 HG21 VAL A 26 0.868 2.555 -0.841 1.00 1.76 H new ATOM 0 HG22 VAL A 26 2.392 2.064 -1.618 1.00 1.76 H new ATOM 0 HG23 VAL A 26 2.393 2.613 0.075 1.00 1.76 H new ATOM 367 N ARG A 27 3.799 6.938 -1.118 1.00 0.22 N ATOM 368 CA ARG A 27 3.961 8.348 -1.451 1.00 0.23 C ATOM 369 C ARG A 27 5.404 8.614 -1.873 1.00 0.23 C ATOM 370 O ARG A 27 5.662 9.480 -2.702 1.00 0.30 O ATOM 371 CB ARG A 27 3.583 9.215 -0.240 1.00 0.29 C ATOM 372 CG ARG A 27 2.090 9.095 0.101 1.00 0.38 C ATOM 373 CD ARG A 27 1.790 9.396 1.569 1.00 1.13 C ATOM 374 NE ARG A 27 1.898 10.827 1.880 1.00 0.77 N ATOM 375 CZ ARG A 27 0.876 11.697 1.836 1.00 1.58 C ATOM 376 NH1 ARG A 27 -0.389 11.266 1.810 1.00 2.64 N ATOM 377 NH2 ARG A 27 1.145 13.010 1.806 1.00 2.15 N ATOM 0 H ARG A 27 3.523 6.789 -0.147 1.00 0.22 H new ATOM 0 HA ARG A 27 3.302 8.604 -2.281 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.178 8.915 0.622 1.00 0.29 H new ATOM 0 HB3 ARG A 27 3.826 10.257 -0.448 1.00 0.29 H new ATOM 0 HG2 ARG A 27 1.522 9.780 -0.529 1.00 0.38 H new ATOM 0 HG3 ARG A 27 1.748 8.087 -0.135 1.00 0.38 H new ATOM 0 HD2 ARG A 27 0.785 9.049 1.810 1.00 1.13 H new ATOM 0 HD3 ARG A 27 2.480 8.837 2.200 1.00 1.13 H new ATOM 0 HE ARG A 27 2.814 11.186 2.149 1.00 0.77 H new ATOM 0 HH11 ARG A 27 -0.587 10.266 1.824 1.00 2.64 H new ATOM 0 HH12 ARG A 27 -1.156 11.938 1.777 1.00 2.64 H new ATOM 0 HH21 ARG A 27 2.113 13.333 1.817 1.00 2.15 H new ATOM 0 HH22 ARG A 27 0.382 13.686 1.772 1.00 2.15 H new ATOM 391 N GLN A 28 6.342 7.849 -1.307 1.00 0.23 N ATOM 392 CA GLN A 28 7.750 7.945 -1.641 1.00 0.27 C ATOM 393 C GLN A 28 8.062 7.571 -3.094 1.00 0.26 C ATOM 394 O GLN A 28 9.192 7.800 -3.512 1.00 0.31 O ATOM 395 CB GLN A 28 8.582 7.129 -0.652 1.00 0.31 C ATOM 396 CG GLN A 28 8.452 5.616 -0.886 1.00 0.29 C ATOM 397 CD GLN A 28 9.215 4.830 0.175 1.00 0.37 C ATOM 398 OE1 GLN A 28 8.984 5.142 1.447 1.00 0.48 O flip ATOM 399 NE2 GLN A 28 10.023 3.962 -0.136 1.00 0.49 N flip ATOM 0 H GLN A 28 6.135 7.143 -0.600 1.00 0.23 H new ATOM 0 HA GLN A 28 8.027 8.995 -1.553 1.00 0.27 H new ATOM 0 HB2 GLN A 28 9.629 7.418 -0.737 1.00 0.31 H new ATOM 0 HB3 GLN A 28 8.268 7.365 0.365 1.00 0.31 H new ATOM 0 HG2 GLN A 28 7.400 5.331 -0.868 1.00 0.29 H new ATOM 0 HG3 GLN A 28 8.834 5.363 -1.875 1.00 0.29 H new ATOM 0 HE21 GLN A 28 10.182 3.742 -1.119 1.00 0.49 H new ATOM 0 HE22 GLN A 28 10.536 3.460 0.588 1.00 0.49 H new ATOM 408 N LEU A 29 7.142 6.913 -3.819 1.00 0.24 N ATOM 409 CA LEU A 29 7.370 6.517 -5.201 1.00 0.29 C ATOM 410 C LEU A 29 7.516 7.762 -6.087 1.00 0.36 C ATOM 411 O LEU A 29 8.565 8.396 -6.111 1.00 0.52 O ATOM 412 CB LEU A 29 6.282 5.530 -5.651 1.00 0.28 C ATOM 413 CG LEU A 29 6.152 4.222 -4.834 1.00 0.30 C ATOM 414 CD1 LEU A 29 5.979 3.061 -5.793 1.00 0.36 C ATOM 415 CD2 LEU A 29 7.286 3.828 -3.880 1.00 0.48 C ATOM 0 H LEU A 29 6.226 6.646 -3.457 1.00 0.24 H new ATOM 0 HA LEU A 29 8.312 5.978 -5.298 1.00 0.29 H new ATOM 0 HB2 LEU A 29 5.322 6.046 -5.624 1.00 0.28 H new ATOM 0 HB3 LEU A 29 6.472 5.265 -6.691 1.00 0.28 H new ATOM 0 HG LEU A 29 5.301 4.435 -4.188 1.00 0.30 H new ATOM 0 HD11 LEU A 29 5.886 2.133 -5.228 1.00 0.36 H new ATOM 0 HD12 LEU A 29 5.080 3.213 -6.390 1.00 0.36 H new ATOM 0 HD13 LEU A 29 6.846 3.000 -6.451 1.00 0.36 H new ATOM 0 HD21 LEU A 29 7.037 2.888 -3.387 1.00 0.48 H new ATOM 0 HD22 LEU A 29 8.211 3.708 -4.444 1.00 0.48 H new ATOM 0 HD23 LEU A 29 7.418 4.608 -3.130 1.00 0.48 H new ATOM 427 N ALA A 30 6.469 8.097 -6.834 1.00 0.36 N ATOM 428 CA ALA A 30 6.391 9.264 -7.707 1.00 0.43 C ATOM 429 C ALA A 30 5.091 9.193 -8.496 1.00 0.43 C ATOM 430 O ALA A 30 4.339 10.158 -8.569 1.00 0.46 O ATOM 431 CB ALA A 30 7.562 9.286 -8.696 1.00 0.46 C ATOM 0 H ALA A 30 5.615 7.539 -6.848 1.00 0.36 H new ATOM 0 HA ALA A 30 6.431 10.165 -7.095 1.00 0.43 H new ATOM 0 HB1 ALA A 30 7.482 10.165 -9.336 1.00 0.46 H new ATOM 0 HB2 ALA A 30 8.502 9.322 -8.146 1.00 0.46 H new ATOM 0 HB3 ALA A 30 7.536 8.386 -9.311 1.00 0.46 H new ATOM 437 N GLY A 31 4.859 8.032 -9.111 1.00 0.43 N ATOM 438 CA GLY A 31 3.758 7.851 -10.051 1.00 0.47 C ATOM 439 C GLY A 31 2.396 7.776 -9.359 1.00 0.44 C ATOM 440 O GLY A 31 1.366 8.052 -9.967 1.00 0.67 O ATOM 0 H GLY A 31 5.427 7.197 -8.971 1.00 0.43 H new ATOM 0 HA2 GLY A 31 3.754 8.677 -10.763 1.00 0.47 H new ATOM 0 HA3 GLY A 31 3.921 6.938 -10.623 1.00 0.47 H new ATOM 444 N VAL A 32 2.393 7.374 -8.085 1.00 0.26 N ATOM 445 CA VAL A 32 1.204 7.361 -7.245 1.00 0.24 C ATOM 446 C VAL A 32 0.515 8.728 -7.296 1.00 0.29 C ATOM 447 O VAL A 32 1.189 9.750 -7.188 1.00 0.36 O ATOM 448 CB VAL A 32 1.654 7.032 -5.812 1.00 0.25 C ATOM 449 CG1 VAL A 32 0.534 7.221 -4.773 1.00 0.35 C ATOM 450 CG2 VAL A 32 2.213 5.600 -5.776 1.00 0.25 C ATOM 0 H VAL A 32 3.231 7.045 -7.606 1.00 0.26 H new ATOM 0 HA VAL A 32 0.489 6.616 -7.594 1.00 0.24 H new ATOM 0 HB VAL A 32 2.435 7.739 -5.534 1.00 0.25 H new ATOM 0 HG11 VAL A 32 0.912 6.974 -3.781 1.00 0.35 H new ATOM 0 HG12 VAL A 32 0.198 8.258 -4.785 1.00 0.35 H new ATOM 0 HG13 VAL A 32 -0.302 6.566 -5.016 1.00 0.35 H new ATOM 0 HG21 VAL A 32 2.534 5.360 -4.762 1.00 0.25 H new ATOM 0 HG22 VAL A 32 1.438 4.899 -6.087 1.00 0.25 H new ATOM 0 HG23 VAL A 32 3.064 5.524 -6.453 1.00 0.25 H new ATOM 460 N ASN A 33 -0.820 8.749 -7.392 1.00 0.32 N ATOM 461 CA ASN A 33 -1.577 9.989 -7.284 1.00 0.38 C ATOM 462 C ASN A 33 -2.129 10.064 -5.877 1.00 0.47 C ATOM 463 O ASN A 33 -1.998 11.074 -5.190 1.00 0.80 O ATOM 464 CB ASN A 33 -2.765 10.009 -8.248 1.00 0.68 C ATOM 465 CG ASN A 33 -2.369 9.913 -9.710 1.00 0.93 C ATOM 466 OD1 ASN A 33 -1.737 10.815 -10.249 1.00 2.21 O ATOM 467 ND2 ASN A 33 -2.804 8.840 -10.358 1.00 0.76 N ATOM 0 H ASN A 33 -1.392 7.919 -7.544 1.00 0.32 H new ATOM 0 HA ASN A 33 -0.919 10.824 -7.523 1.00 0.38 H new ATOM 0 HB2 ASN A 33 -3.431 9.181 -8.006 1.00 0.68 H new ATOM 0 HB3 ASN A 33 -3.331 10.928 -8.094 1.00 0.68 H new ATOM 0 HD21 ASN A 33 -2.617 8.736 -11.355 1.00 0.76 H new ATOM 0 HD22 ASN A 33 -3.326 8.119 -9.859 1.00 0.76 H new ATOM 474 N GLN A 34 -2.796 8.981 -5.474 1.00 0.45 N ATOM 475 CA GLN A 34 -3.558 8.914 -4.253 1.00 0.62 C ATOM 476 C GLN A 34 -3.514 7.483 -3.741 1.00 0.60 C ATOM 477 O GLN A 34 -3.138 6.554 -4.453 1.00 1.09 O ATOM 478 CB GLN A 34 -4.983 9.416 -4.523 1.00 0.77 C ATOM 479 CG GLN A 34 -5.759 8.584 -5.551 1.00 1.58 C ATOM 480 CD GLN A 34 -6.700 9.451 -6.382 1.00 1.21 C ATOM 481 OE1 GLN A 34 -7.626 10.053 -5.851 1.00 1.51 O ATOM 482 NE2 GLN A 34 -6.465 9.543 -7.689 1.00 0.94 N ATOM 0 H GLN A 34 -2.814 8.113 -6.009 1.00 0.45 H new ATOM 0 HA GLN A 34 -3.139 9.555 -3.477 1.00 0.62 H new ATOM 0 HB2 GLN A 34 -5.538 9.423 -3.585 1.00 0.77 H new ATOM 0 HB3 GLN A 34 -4.933 10.448 -4.871 1.00 0.77 H new ATOM 0 HG2 GLN A 34 -5.057 8.073 -6.210 1.00 1.58 H new ATOM 0 HG3 GLN A 34 -6.333 7.813 -5.037 1.00 1.58 H new ATOM 0 HE21 GLN A 34 -5.687 9.031 -8.105 1.00 0.94 H new ATOM 0 HE22 GLN A 34 -7.063 10.126 -8.275 1.00 0.94 H new ATOM 491 N VAL A 35 -3.871 7.322 -2.477 1.00 0.30 N ATOM 492 CA VAL A 35 -3.859 6.053 -1.780 1.00 0.28 C ATOM 493 C VAL A 35 -4.864 6.140 -0.635 1.00 0.29 C ATOM 494 O VAL A 35 -4.897 7.146 0.071 1.00 0.55 O ATOM 495 CB VAL A 35 -2.419 5.709 -1.340 1.00 0.56 C ATOM 496 CG1 VAL A 35 -1.644 6.906 -0.769 1.00 1.14 C ATOM 497 CG2 VAL A 35 -2.398 4.580 -0.305 1.00 1.57 C ATOM 0 H VAL A 35 -4.186 8.097 -1.893 1.00 0.30 H new ATOM 0 HA VAL A 35 -4.167 5.228 -2.423 1.00 0.28 H new ATOM 0 HB VAL A 35 -1.922 5.391 -2.256 1.00 0.56 H new ATOM 0 HG11 VAL A 35 -0.642 6.587 -0.482 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -1.573 7.688 -1.525 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -2.166 7.293 0.106 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -1.368 4.367 -0.020 1.00 1.57 H new ATOM 0 HG22 VAL A 35 -2.963 4.884 0.576 1.00 1.57 H new ATOM 0 HG23 VAL A 35 -2.849 3.685 -0.734 1.00 1.57 H new ATOM 507 N GLN A 36 -5.696 5.108 -0.475 1.00 0.36 N ATOM 508 CA GLN A 36 -6.658 4.970 0.594 1.00 0.48 C ATOM 509 C GLN A 36 -6.406 3.621 1.278 1.00 0.43 C ATOM 510 O GLN A 36 -6.759 2.550 0.788 1.00 0.60 O ATOM 511 CB GLN A 36 -8.078 5.182 0.045 1.00 0.92 C ATOM 512 CG GLN A 36 -8.493 4.121 -0.980 1.00 1.15 C ATOM 513 CD GLN A 36 -9.693 4.516 -1.837 1.00 1.25 C ATOM 514 OE1 GLN A 36 -9.850 4.046 -2.960 1.00 2.02 O ATOM 515 NE2 GLN A 36 -10.578 5.353 -1.316 1.00 2.59 N ATOM 0 H GLN A 36 -5.709 4.318 -1.120 1.00 0.36 H new ATOM 0 HA GLN A 36 -6.547 5.734 1.364 1.00 0.48 H new ATOM 0 HB2 GLN A 36 -8.786 5.174 0.874 1.00 0.92 H new ATOM 0 HB3 GLN A 36 -8.139 6.168 -0.417 1.00 0.92 H new ATOM 0 HG2 GLN A 36 -7.646 3.913 -1.634 1.00 1.15 H new ATOM 0 HG3 GLN A 36 -8.725 3.195 -0.454 1.00 1.15 H new ATOM 0 HE21 GLN A 36 -10.431 5.734 -0.381 1.00 2.59 H new ATOM 0 HE22 GLN A 36 -11.406 5.617 -1.850 1.00 2.59 H new ATOM 524 N VAL A 37 -5.756 3.700 2.430 1.00 0.32 N ATOM 525 CA VAL A 37 -5.457 2.613 3.335 1.00 0.43 C ATOM 526 C VAL A 37 -6.584 2.609 4.363 1.00 0.39 C ATOM 527 O VAL A 37 -6.994 3.674 4.827 1.00 0.65 O ATOM 528 CB VAL A 37 -4.079 2.843 3.997 1.00 0.57 C ATOM 529 CG1 VAL A 37 -3.032 3.259 2.958 1.00 1.62 C ATOM 530 CG2 VAL A 37 -4.072 3.914 5.101 1.00 1.42 C ATOM 0 H VAL A 37 -5.401 4.591 2.776 1.00 0.32 H new ATOM 0 HA VAL A 37 -5.399 1.651 2.825 1.00 0.43 H new ATOM 0 HB VAL A 37 -3.840 1.882 4.453 1.00 0.57 H new ATOM 0 HG11 VAL A 37 -2.072 3.414 3.451 1.00 1.62 H new ATOM 0 HG12 VAL A 37 -2.932 2.475 2.208 1.00 1.62 H new ATOM 0 HG13 VAL A 37 -3.346 4.185 2.475 1.00 1.62 H new ATOM 0 HG21 VAL A 37 -3.066 4.009 5.509 1.00 1.42 H new ATOM 0 HG22 VAL A 37 -4.385 4.870 4.682 1.00 1.42 H new ATOM 0 HG23 VAL A 37 -4.760 3.623 5.895 1.00 1.42 H new ATOM 540 N LEU A 38 -7.134 1.437 4.674 1.00 0.33 N ATOM 541 CA LEU A 38 -8.238 1.308 5.607 1.00 0.34 C ATOM 542 C LEU A 38 -7.902 0.259 6.674 1.00 0.36 C ATOM 543 O LEU A 38 -7.722 -0.920 6.357 1.00 0.39 O ATOM 544 CB LEU A 38 -9.510 0.994 4.811 1.00 0.38 C ATOM 545 CG LEU A 38 -10.664 0.545 5.705 1.00 0.42 C ATOM 546 CD1 LEU A 38 -11.081 1.604 6.735 1.00 0.43 C ATOM 547 CD2 LEU A 38 -11.888 0.161 4.869 1.00 0.52 C ATOM 0 H LEU A 38 -6.821 0.549 4.281 1.00 0.33 H new ATOM 0 HA LEU A 38 -8.412 2.238 6.149 1.00 0.34 H new ATOM 0 HB2 LEU A 38 -9.812 1.879 4.251 1.00 0.38 H new ATOM 0 HB3 LEU A 38 -9.295 0.213 4.082 1.00 0.38 H new ATOM 0 HG LEU A 38 -10.291 -0.322 6.250 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -11.905 1.221 7.337 1.00 0.43 H new ATOM 0 HD12 LEU A 38 -10.235 1.835 7.382 1.00 0.43 H new ATOM 0 HD13 LEU A 38 -11.400 2.509 6.218 1.00 0.43 H new ATOM 0 HD21 LEU A 38 -12.695 -0.155 5.530 1.00 0.52 H new ATOM 0 HD22 LEU A 38 -12.213 1.021 4.284 1.00 0.52 H new ATOM 0 HD23 LEU A 38 -11.628 -0.657 4.197 1.00 0.52 H new ATOM 559 N PHE A 39 -7.861 0.720 7.931 1.00 0.72 N ATOM 560 CA PHE A 39 -7.741 -0.093 9.134 1.00 0.89 C ATOM 561 C PHE A 39 -8.898 -1.068 9.302 1.00 0.94 C ATOM 562 O PHE A 39 -9.934 -0.921 8.655 1.00 1.56 O ATOM 563 CB PHE A 39 -7.670 0.829 10.365 1.00 1.48 C ATOM 564 CG PHE A 39 -6.369 1.579 10.539 1.00 0.93 C ATOM 565 CD1 PHE A 39 -5.171 0.862 10.407 1.00 1.33 C ATOM 566 CD2 PHE A 39 -6.346 2.861 11.119 1.00 2.16 C ATOM 567 CE1 PHE A 39 -3.966 1.386 10.877 1.00 1.86 C ATOM 568 CE2 PHE A 39 -5.130 3.404 11.571 1.00 2.50 C ATOM 569 CZ PHE A 39 -3.942 2.661 11.452 1.00 2.05 C ATOM 0 H PHE A 39 -7.913 1.717 8.139 1.00 0.72 H new ATOM 0 HA PHE A 39 -6.830 -0.684 9.038 1.00 0.89 H new ATOM 0 HB2 PHE A 39 -8.482 1.554 10.302 1.00 1.48 H new ATOM 0 HB3 PHE A 39 -7.846 0.229 11.258 1.00 1.48 H new ATOM 0 HD1 PHE A 39 -5.181 -0.109 9.935 1.00 1.33 H new ATOM 0 HD2 PHE A 39 -7.261 3.427 11.217 1.00 2.16 H new ATOM 0 HE1 PHE A 39 -3.056 0.810 10.797 1.00 1.86 H new ATOM 0 HE2 PHE A 39 -5.109 4.391 12.009 1.00 2.50 H new ATOM 0 HZ PHE A 39 -3.009 3.076 11.805 1.00 2.05 H new ATOM 579 N ALA A 40 -8.700 -2.061 10.172 1.00 0.93 N ATOM 580 CA ALA A 40 -9.578 -3.191 10.442 1.00 1.01 C ATOM 581 C ALA A 40 -9.718 -4.124 9.233 1.00 0.86 C ATOM 582 O ALA A 40 -9.521 -5.331 9.344 1.00 1.15 O ATOM 583 CB ALA A 40 -10.933 -2.729 10.990 1.00 1.40 C ATOM 0 H ALA A 40 -7.858 -2.094 10.746 1.00 0.93 H new ATOM 0 HA ALA A 40 -9.106 -3.786 11.224 1.00 1.01 H new ATOM 0 HB1 ALA A 40 -11.564 -3.597 11.181 1.00 1.40 H new ATOM 0 HB2 ALA A 40 -10.782 -2.180 11.919 1.00 1.40 H new ATOM 0 HB3 ALA A 40 -11.419 -2.081 10.260 1.00 1.40 H new ATOM 589 N THR A 41 -10.065 -3.575 8.069 1.00 0.64 N ATOM 590 CA THR A 41 -10.105 -4.287 6.804 1.00 0.54 C ATOM 591 C THR A 41 -8.690 -4.683 6.364 1.00 0.57 C ATOM 592 O THR A 41 -8.524 -5.640 5.610 1.00 0.98 O ATOM 593 CB THR A 41 -10.792 -3.388 5.770 1.00 0.61 C ATOM 594 OG1 THR A 41 -11.918 -2.791 6.383 1.00 0.84 O ATOM 595 CG2 THR A 41 -11.260 -4.177 4.544 1.00 1.10 C ATOM 0 H THR A 41 -10.333 -2.594 7.984 1.00 0.64 H new ATOM 0 HA THR A 41 -10.672 -5.212 6.906 1.00 0.54 H new ATOM 0 HB THR A 41 -10.074 -2.641 5.432 1.00 0.61 H new ATOM 0 HG1 THR A 41 -12.460 -2.339 5.703 1.00 0.84 H new ATOM 0 HG21 THR A 41 -11.741 -3.500 3.838 1.00 1.10 H new ATOM 0 HG22 THR A 41 -10.402 -4.650 4.066 1.00 1.10 H new ATOM 0 HG23 THR A 41 -11.971 -4.943 4.854 1.00 1.10 H new ATOM 603 N GLU A 42 -7.681 -3.911 6.790 1.00 0.50 N ATOM 604 CA GLU A 42 -6.288 -4.060 6.387 1.00 0.74 C ATOM 605 C GLU A 42 -6.168 -4.002 4.860 1.00 0.67 C ATOM 606 O GLU A 42 -5.377 -4.715 4.232 1.00 0.86 O ATOM 607 CB GLU A 42 -5.674 -5.328 7.017 1.00 1.06 C ATOM 608 CG GLU A 42 -4.417 -5.024 7.856 1.00 2.43 C ATOM 609 CD GLU A 42 -4.607 -5.327 9.337 1.00 3.10 C ATOM 610 OE1 GLU A 42 -5.722 -5.098 9.846 1.00 3.34 O ATOM 611 OE2 GLU A 42 -3.613 -5.806 9.924 1.00 4.22 O ATOM 0 H GLU A 42 -7.823 -3.143 7.446 1.00 0.50 H new ATOM 0 HA GLU A 42 -5.701 -3.225 6.769 1.00 0.74 H new ATOM 0 HB2 GLU A 42 -6.419 -5.813 7.648 1.00 1.06 H new ATOM 0 HB3 GLU A 42 -5.417 -6.034 6.227 1.00 1.06 H new ATOM 0 HG2 GLU A 42 -3.581 -5.610 7.474 1.00 2.43 H new ATOM 0 HG3 GLU A 42 -4.151 -3.974 7.736 1.00 2.43 H new ATOM 618 N LYS A 43 -6.978 -3.122 4.263 1.00 0.50 N ATOM 619 CA LYS A 43 -7.017 -2.934 2.825 1.00 0.57 C ATOM 620 C LYS A 43 -6.003 -1.855 2.459 1.00 0.45 C ATOM 621 O LYS A 43 -6.027 -0.761 3.031 1.00 0.62 O ATOM 622 CB LYS A 43 -8.458 -2.632 2.375 1.00 0.93 C ATOM 623 CG LYS A 43 -8.571 -1.940 1.008 1.00 1.21 C ATOM 624 CD LYS A 43 -8.737 -0.419 1.180 1.00 1.11 C ATOM 625 CE LYS A 43 -10.199 -0.027 1.438 1.00 0.65 C ATOM 626 NZ LYS A 43 -11.022 -0.054 0.211 1.00 1.39 N ATOM 0 H LYS A 43 -7.625 -2.521 4.774 1.00 0.50 H new ATOM 0 HA LYS A 43 -6.731 -3.839 2.288 1.00 0.57 H new ATOM 0 HB2 LYS A 43 -9.017 -3.567 2.341 1.00 0.93 H new ATOM 0 HB3 LYS A 43 -8.935 -2.002 3.126 1.00 0.93 H new ATOM 0 HG2 LYS A 43 -7.681 -2.149 0.414 1.00 1.21 H new ATOM 0 HG3 LYS A 43 -9.422 -2.344 0.460 1.00 1.21 H new ATOM 0 HD2 LYS A 43 -8.118 -0.078 2.010 1.00 1.11 H new ATOM 0 HD3 LYS A 43 -8.378 0.089 0.285 1.00 1.11 H new ATOM 0 HE2 LYS A 43 -10.629 -0.707 2.174 1.00 0.65 H new ATOM 0 HE3 LYS A 43 -10.232 0.973 1.871 1.00 0.65 H new ATOM 0 HZ1 LYS A 43 -11.999 0.218 0.442 1.00 1.39 H new ATOM 0 HZ2 LYS A 43 -10.631 0.614 -0.484 1.00 1.39 H new ATOM 0 HZ3 LYS A 43 -11.016 -1.014 -0.190 1.00 1.39 H new ATOM 640 N LEU A 44 -5.149 -2.169 1.482 1.00 0.30 N ATOM 641 CA LEU A 44 -4.286 -1.215 0.802 1.00 0.36 C ATOM 642 C LEU A 44 -4.942 -0.945 -0.527 1.00 0.36 C ATOM 643 O LEU A 44 -5.136 -1.895 -1.278 1.00 0.46 O ATOM 644 CB LEU A 44 -2.883 -1.832 0.587 1.00 0.43 C ATOM 645 CG LEU A 44 -1.744 -1.062 1.254 1.00 0.63 C ATOM 646 CD1 LEU A 44 -1.269 0.144 0.452 1.00 0.63 C ATOM 647 CD2 LEU A 44 -2.195 -0.679 2.655 1.00 1.64 C ATOM 0 H LEU A 44 -5.040 -3.122 1.136 1.00 0.30 H new ATOM 0 HA LEU A 44 -4.158 -0.300 1.381 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -2.887 -2.853 0.968 1.00 0.43 H new ATOM 0 HB3 LEU A 44 -2.686 -1.892 -0.483 1.00 0.43 H new ATOM 0 HG LEU A 44 -0.868 -1.709 1.304 1.00 0.63 H new ATOM 0 HD11 LEU A 44 -0.460 0.641 0.987 1.00 0.63 H new ATOM 0 HD12 LEU A 44 -0.910 -0.186 -0.523 1.00 0.63 H new ATOM 0 HD13 LEU A 44 -2.097 0.841 0.318 1.00 0.63 H new ATOM 0 HD21 LEU A 44 -1.399 -0.127 3.155 1.00 1.64 H new ATOM 0 HD22 LEU A 44 -3.086 -0.054 2.592 1.00 1.64 H new ATOM 0 HD23 LEU A 44 -2.423 -1.581 3.223 1.00 1.64 H new ATOM 659 N VAL A 45 -5.304 0.306 -0.810 1.00 0.26 N ATOM 660 CA VAL A 45 -5.702 0.699 -2.147 1.00 0.24 C ATOM 661 C VAL A 45 -4.866 1.878 -2.587 1.00 0.28 C ATOM 662 O VAL A 45 -5.015 2.969 -2.052 1.00 0.70 O ATOM 663 CB VAL A 45 -7.200 0.979 -2.227 1.00 0.38 C ATOM 664 CG1 VAL A 45 -7.575 1.712 -3.512 1.00 0.67 C ATOM 665 CG2 VAL A 45 -7.882 -0.376 -2.286 1.00 0.79 C ATOM 0 H VAL A 45 -5.327 1.061 -0.124 1.00 0.26 H new ATOM 0 HA VAL A 45 -5.519 -0.126 -2.836 1.00 0.24 H new ATOM 0 HB VAL A 45 -7.495 1.592 -1.375 1.00 0.38 H new ATOM 0 HG11 VAL A 45 -8.650 1.891 -3.528 1.00 0.67 H new ATOM 0 HG12 VAL A 45 -7.048 2.665 -3.554 1.00 0.67 H new ATOM 0 HG13 VAL A 45 -7.296 1.104 -4.372 1.00 0.67 H new ATOM 0 HG21 VAL A 45 -8.962 -0.238 -2.345 1.00 0.79 H new ATOM 0 HG22 VAL A 45 -7.537 -0.919 -3.166 1.00 0.79 H new ATOM 0 HG23 VAL A 45 -7.637 -0.946 -1.390 1.00 0.79 H new ATOM 675 N VAL A 46 -3.993 1.650 -3.557 1.00 0.35 N ATOM 676 CA VAL A 46 -3.211 2.689 -4.196 1.00 0.25 C ATOM 677 C VAL A 46 -3.814 2.998 -5.565 1.00 0.25 C ATOM 678 O VAL A 46 -4.149 2.076 -6.303 1.00 0.41 O ATOM 679 CB VAL A 46 -1.761 2.210 -4.256 1.00 0.31 C ATOM 680 CG1 VAL A 46 -0.884 3.193 -5.036 1.00 0.41 C ATOM 681 CG2 VAL A 46 -1.273 2.052 -2.807 1.00 0.32 C ATOM 0 H VAL A 46 -3.807 0.718 -3.927 1.00 0.35 H new ATOM 0 HA VAL A 46 -3.227 3.625 -3.637 1.00 0.25 H new ATOM 0 HB VAL A 46 -1.696 1.258 -4.783 1.00 0.31 H new ATOM 0 HG11 VAL A 46 0.142 2.825 -5.061 1.00 0.41 H new ATOM 0 HG12 VAL A 46 -1.261 3.288 -6.054 1.00 0.41 H new ATOM 0 HG13 VAL A 46 -0.908 4.168 -4.548 1.00 0.41 H new ATOM 0 HG21 VAL A 46 -0.238 1.710 -2.807 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -1.338 3.012 -2.294 1.00 0.32 H new ATOM 0 HG23 VAL A 46 -1.896 1.322 -2.291 1.00 0.32 H new ATOM 691 N ASP A 47 -3.951 4.286 -5.893 1.00 0.26 N ATOM 692 CA ASP A 47 -4.475 4.769 -7.161 1.00 0.24 C ATOM 693 C ASP A 47 -3.378 5.606 -7.844 1.00 0.20 C ATOM 694 O ASP A 47 -2.981 6.671 -7.351 1.00 0.31 O ATOM 695 CB ASP A 47 -5.818 5.491 -6.940 1.00 0.44 C ATOM 696 CG ASP A 47 -7.032 4.584 -7.175 1.00 1.23 C ATOM 697 OD1 ASP A 47 -7.389 4.430 -8.360 1.00 2.11 O ATOM 698 OD2 ASP A 47 -7.606 4.070 -6.184 1.00 2.25 O ATOM 0 H ASP A 47 -3.690 5.041 -5.258 1.00 0.26 H new ATOM 0 HA ASP A 47 -4.716 3.955 -7.845 1.00 0.24 H new ATOM 0 HB2 ASP A 47 -5.853 5.878 -5.922 1.00 0.44 H new ATOM 0 HB3 ASP A 47 -5.877 6.349 -7.610 1.00 0.44 H new ATOM 703 N ALA A 48 -2.845 5.085 -8.958 1.00 0.23 N ATOM 704 CA ALA A 48 -1.734 5.664 -9.716 1.00 0.38 C ATOM 705 C ALA A 48 -2.075 5.663 -11.207 1.00 0.56 C ATOM 706 O ALA A 48 -3.151 5.203 -11.596 1.00 1.24 O ATOM 707 CB ALA A 48 -0.416 4.917 -9.444 1.00 0.57 C ATOM 0 H ALA A 48 -3.190 4.217 -9.368 1.00 0.23 H new ATOM 0 HA ALA A 48 -1.588 6.693 -9.388 1.00 0.38 H new ATOM 0 HB1 ALA A 48 0.387 5.373 -10.023 1.00 0.57 H new ATOM 0 HB2 ALA A 48 -0.177 4.976 -8.382 1.00 0.57 H new ATOM 0 HB3 ALA A 48 -0.524 3.872 -9.734 1.00 0.57 H new ATOM 713 N ASP A 49 -1.149 6.156 -12.034 1.00 0.45 N ATOM 714 CA ASP A 49 -1.332 6.303 -13.478 1.00 0.50 C ATOM 715 C ASP A 49 -0.146 5.665 -14.197 1.00 0.55 C ATOM 716 O ASP A 49 0.486 6.263 -15.067 1.00 0.76 O ATOM 717 CB ASP A 49 -1.410 7.808 -13.789 1.00 0.56 C ATOM 718 CG ASP A 49 -2.844 8.288 -13.898 1.00 0.84 C ATOM 719 OD1 ASP A 49 -3.466 7.977 -14.934 1.00 2.16 O ATOM 720 OD2 ASP A 49 -3.302 8.954 -12.949 1.00 1.60 O ATOM 0 H ASP A 49 -0.234 6.470 -11.711 1.00 0.45 H new ATOM 0 HA ASP A 49 -2.244 5.810 -13.814 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -0.898 8.368 -13.006 1.00 0.56 H new ATOM 0 HB3 ASP A 49 -0.886 8.014 -14.722 1.00 0.56 H new ATOM 725 N ASN A 50 0.155 4.415 -13.846 1.00 0.44 N ATOM 726 CA ASN A 50 1.425 3.821 -14.266 1.00 0.49 C ATOM 727 C ASN A 50 1.585 2.345 -13.889 1.00 0.84 C ATOM 728 O ASN A 50 2.207 1.609 -14.649 1.00 2.80 O ATOM 729 CB ASN A 50 2.615 4.655 -13.753 1.00 0.58 C ATOM 730 CG ASN A 50 2.545 4.948 -12.256 1.00 0.81 C ATOM 731 OD1 ASN A 50 1.605 5.552 -11.750 1.00 2.68 O ATOM 732 ND2 ASN A 50 3.560 4.530 -11.520 1.00 1.09 N ATOM 0 H ASN A 50 -0.444 3.807 -13.287 1.00 0.44 H new ATOM 0 HA ASN A 50 1.414 3.842 -15.356 1.00 0.49 H new ATOM 0 HB2 ASN A 50 3.542 4.124 -13.970 1.00 0.58 H new ATOM 0 HB3 ASN A 50 2.652 5.597 -14.300 1.00 0.58 H new ATOM 0 HD21 ASN A 50 3.569 4.708 -10.516 1.00 1.09 H new ATOM 0 HD22 ASN A 50 4.334 4.029 -11.956 1.00 1.09 H new ATOM 739 N ASP A 51 1.044 1.919 -12.740 1.00 1.15 N ATOM 740 CA ASP A 51 1.163 0.584 -12.165 1.00 0.99 C ATOM 741 C ASP A 51 2.552 0.343 -11.588 1.00 0.62 C ATOM 742 O ASP A 51 3.554 0.356 -12.299 1.00 0.73 O ATOM 743 CB ASP A 51 0.725 -0.558 -13.080 1.00 1.41 C ATOM 744 CG ASP A 51 0.567 -1.806 -12.226 1.00 2.33 C ATOM 745 OD1 ASP A 51 1.594 -2.400 -11.837 1.00 2.75 O ATOM 746 OD2 ASP A 51 -0.591 -2.128 -11.890 1.00 3.68 O ATOM 0 H ASP A 51 0.480 2.538 -12.157 1.00 1.15 H new ATOM 0 HA ASP A 51 0.441 0.571 -11.349 1.00 0.99 H new ATOM 0 HB2 ASP A 51 -0.215 -0.312 -13.574 1.00 1.41 H new ATOM 0 HB3 ASP A 51 1.464 -0.723 -13.864 1.00 1.41 H new ATOM 751 N ILE A 52 2.591 0.168 -10.267 1.00 0.42 N ATOM 752 CA ILE A 52 3.814 0.057 -9.496 1.00 0.30 C ATOM 753 C ILE A 52 3.555 -0.894 -8.326 1.00 0.27 C ATOM 754 O ILE A 52 4.130 -0.742 -7.254 1.00 0.27 O ATOM 755 CB ILE A 52 4.316 1.470 -9.088 1.00 0.34 C ATOM 756 CG1 ILE A 52 3.220 2.516 -8.804 1.00 0.42 C ATOM 757 CG2 ILE A 52 5.200 2.029 -10.208 1.00 0.58 C ATOM 758 CD1 ILE A 52 2.411 2.240 -7.538 1.00 0.57 C ATOM 0 H ILE A 52 1.749 0.099 -9.696 1.00 0.42 H new ATOM 0 HA ILE A 52 4.628 -0.373 -10.081 1.00 0.30 H new ATOM 0 HB ILE A 52 4.847 1.314 -8.149 1.00 0.34 H new ATOM 0 HG12 ILE A 52 3.683 3.499 -8.720 1.00 0.42 H new ATOM 0 HG13 ILE A 52 2.541 2.556 -9.656 1.00 0.42 H new ATOM 0 HG21 ILE A 52 5.556 3.021 -9.929 1.00 0.58 H new ATOM 0 HG22 ILE A 52 6.052 1.367 -10.363 1.00 0.58 H new ATOM 0 HG23 ILE A 52 4.621 2.097 -11.129 1.00 0.58 H new ATOM 0 HD11 ILE A 52 1.661 3.020 -7.408 1.00 0.57 H new ATOM 0 HD12 ILE A 52 1.917 1.272 -7.626 1.00 0.57 H new ATOM 0 HD13 ILE A 52 3.077 2.230 -6.675 1.00 0.57 H new ATOM 770 N ARG A 53 2.701 -1.904 -8.528 1.00 0.29 N ATOM 771 CA ARG A 53 2.258 -2.774 -7.438 1.00 0.32 C ATOM 772 C ARG A 53 3.433 -3.502 -6.817 1.00 0.28 C ATOM 773 O ARG A 53 3.572 -3.504 -5.600 1.00 0.29 O ATOM 774 CB ARG A 53 1.207 -3.782 -7.901 1.00 0.38 C ATOM 775 CG ARG A 53 0.102 -3.025 -8.619 1.00 0.42 C ATOM 776 CD ARG A 53 -1.189 -3.830 -8.736 1.00 0.59 C ATOM 777 NE ARG A 53 -1.010 -5.202 -9.228 1.00 0.72 N ATOM 778 CZ ARG A 53 -1.002 -5.570 -10.520 1.00 1.66 C ATOM 779 NH1 ARG A 53 -0.892 -4.669 -11.499 1.00 2.67 N ATOM 780 NH2 ARG A 53 -1.126 -6.864 -10.831 1.00 2.17 N ATOM 0 H ARG A 53 2.304 -2.137 -9.438 1.00 0.29 H new ATOM 0 HA ARG A 53 1.798 -2.132 -6.687 1.00 0.32 H new ATOM 0 HB2 ARG A 53 1.656 -4.520 -8.566 1.00 0.38 H new ATOM 0 HB3 ARG A 53 0.802 -4.327 -7.048 1.00 0.38 H new ATOM 0 HG2 ARG A 53 -0.102 -2.097 -8.085 1.00 0.42 H new ATOM 0 HG3 ARG A 53 0.445 -2.751 -9.617 1.00 0.42 H new ATOM 0 HD2 ARG A 53 -1.668 -3.868 -7.758 1.00 0.59 H new ATOM 0 HD3 ARG A 53 -1.871 -3.304 -9.404 1.00 0.59 H new ATOM 0 HE ARG A 53 -0.881 -5.936 -8.531 1.00 0.72 H new ATOM 0 HH11 ARG A 53 -0.812 -3.678 -11.273 1.00 2.67 H new ATOM 0 HH12 ARG A 53 -0.888 -4.972 -12.473 1.00 2.67 H new ATOM 0 HH21 ARG A 53 -1.225 -7.559 -10.091 1.00 2.17 H new ATOM 0 HH22 ARG A 53 -1.121 -7.156 -11.808 1.00 2.17 H new ATOM 794 N ALA A 54 4.300 -4.059 -7.663 1.00 0.25 N ATOM 795 CA ALA A 54 5.535 -4.687 -7.225 1.00 0.25 C ATOM 796 C ALA A 54 6.411 -3.686 -6.471 1.00 0.22 C ATOM 797 O ALA A 54 7.156 -4.055 -5.570 1.00 0.24 O ATOM 798 CB ALA A 54 6.284 -5.228 -8.440 1.00 0.30 C ATOM 0 H ALA A 54 4.160 -4.085 -8.673 1.00 0.25 H new ATOM 0 HA ALA A 54 5.296 -5.507 -6.548 1.00 0.25 H new ATOM 0 HB1 ALA A 54 7.211 -5.700 -8.115 1.00 0.30 H new ATOM 0 HB2 ALA A 54 5.663 -5.963 -8.953 1.00 0.30 H new ATOM 0 HB3 ALA A 54 6.513 -4.408 -9.121 1.00 0.30 H new ATOM 804 N GLN A 55 6.344 -2.404 -6.844 1.00 0.22 N ATOM 805 CA GLN A 55 7.171 -1.402 -6.202 1.00 0.23 C ATOM 806 C GLN A 55 6.596 -1.083 -4.828 1.00 0.21 C ATOM 807 O GLN A 55 7.341 -0.967 -3.852 1.00 0.23 O ATOM 808 CB GLN A 55 7.341 -0.183 -7.120 1.00 0.29 C ATOM 809 CG GLN A 55 8.684 0.525 -6.886 1.00 0.38 C ATOM 810 CD GLN A 55 8.952 1.617 -7.922 1.00 1.18 C ATOM 811 OE1 GLN A 55 9.077 2.790 -7.588 1.00 2.72 O ATOM 812 NE2 GLN A 55 9.054 1.245 -9.194 1.00 0.84 N ATOM 0 H GLN A 55 5.732 -2.048 -7.578 1.00 0.22 H new ATOM 0 HA GLN A 55 8.180 -1.778 -6.035 1.00 0.23 H new ATOM 0 HB2 GLN A 55 7.274 -0.500 -8.161 1.00 0.29 H new ATOM 0 HB3 GLN A 55 6.525 0.519 -6.947 1.00 0.29 H new ATOM 0 HG2 GLN A 55 8.692 0.964 -5.888 1.00 0.38 H new ATOM 0 HG3 GLN A 55 9.489 -0.209 -6.918 1.00 0.38 H new ATOM 0 HE21 GLN A 55 8.946 0.263 -9.448 1.00 0.84 H new ATOM 0 HE22 GLN A 55 9.240 1.941 -9.916 1.00 0.84 H new ATOM 821 N VAL A 56 5.266 -0.986 -4.734 1.00 0.21 N ATOM 822 CA VAL A 56 4.633 -0.724 -3.467 1.00 0.19 C ATOM 823 C VAL A 56 4.860 -1.934 -2.554 1.00 0.19 C ATOM 824 O VAL A 56 5.303 -1.765 -1.424 1.00 0.21 O ATOM 825 CB VAL A 56 3.152 -0.460 -3.703 1.00 0.22 C ATOM 826 CG1 VAL A 56 2.443 -0.413 -2.352 1.00 0.34 C ATOM 827 CG2 VAL A 56 2.962 0.866 -4.434 1.00 0.41 C ATOM 0 H VAL A 56 4.624 -1.086 -5.520 1.00 0.21 H new ATOM 0 HA VAL A 56 5.057 0.156 -2.983 1.00 0.19 H new ATOM 0 HB VAL A 56 2.732 -1.256 -4.318 1.00 0.22 H new ATOM 0 HG11 VAL A 56 1.380 -0.224 -2.505 1.00 0.34 H new ATOM 0 HG12 VAL A 56 2.572 -1.366 -1.840 1.00 0.34 H new ATOM 0 HG13 VAL A 56 2.869 0.386 -1.745 1.00 0.34 H new ATOM 0 HG21 VAL A 56 1.899 1.043 -4.597 1.00 0.41 H new ATOM 0 HG22 VAL A 56 3.377 1.675 -3.833 1.00 0.41 H new ATOM 0 HG23 VAL A 56 3.475 0.828 -5.395 1.00 0.41 H new ATOM 837 N GLU A 57 4.569 -3.146 -3.045 1.00 0.20 N ATOM 838 CA GLU A 57 4.951 -4.393 -2.389 1.00 0.26 C ATOM 839 C GLU A 57 6.381 -4.327 -1.896 1.00 0.28 C ATOM 840 O GLU A 57 6.554 -4.334 -0.688 1.00 0.35 O ATOM 841 CB GLU A 57 4.678 -5.579 -3.312 1.00 0.32 C ATOM 842 CG GLU A 57 5.166 -6.944 -2.808 1.00 0.36 C ATOM 843 CD GLU A 57 6.663 -7.169 -2.985 1.00 2.01 C ATOM 844 OE1 GLU A 57 7.177 -6.844 -4.075 1.00 3.18 O ATOM 845 OE2 GLU A 57 7.271 -7.636 -1.997 1.00 3.27 O ATOM 0 H GLU A 57 4.057 -3.284 -3.916 1.00 0.20 H new ATOM 0 HA GLU A 57 4.336 -4.541 -1.501 1.00 0.26 H new ATOM 0 HB2 GLU A 57 3.604 -5.640 -3.486 1.00 0.32 H new ATOM 0 HB3 GLU A 57 5.146 -5.380 -4.276 1.00 0.32 H new ATOM 0 HG2 GLU A 57 4.917 -7.040 -1.751 1.00 0.36 H new ATOM 0 HG3 GLU A 57 4.626 -7.730 -3.336 1.00 0.36 H new ATOM 852 N SER A 58 7.387 -4.187 -2.759 1.00 0.28 N ATOM 853 CA SER A 58 8.779 -4.185 -2.321 1.00 0.33 C ATOM 854 C SER A 58 8.975 -3.235 -1.128 1.00 0.35 C ATOM 855 O SER A 58 9.638 -3.578 -0.146 1.00 0.46 O ATOM 856 CB SER A 58 9.685 -3.831 -3.509 1.00 0.35 C ATOM 857 OG SER A 58 11.056 -3.994 -3.186 1.00 0.59 O ATOM 0 H SER A 58 7.262 -4.074 -3.765 1.00 0.28 H new ATOM 0 HA SER A 58 9.056 -5.179 -1.971 1.00 0.33 H new ATOM 0 HB2 SER A 58 9.433 -4.463 -4.360 1.00 0.35 H new ATOM 0 HB3 SER A 58 9.502 -2.800 -3.812 1.00 0.35 H new ATOM 0 HG SER A 58 11.605 -3.762 -3.964 1.00 0.59 H new ATOM 863 N ALA A 59 8.373 -2.045 -1.202 1.00 0.30 N ATOM 864 CA ALA A 59 8.422 -1.075 -0.121 1.00 0.29 C ATOM 865 C ALA A 59 7.738 -1.578 1.159 1.00 0.29 C ATOM 866 O ALA A 59 8.335 -1.509 2.230 1.00 0.34 O ATOM 867 CB ALA A 59 7.801 0.235 -0.592 1.00 0.30 C ATOM 0 H ALA A 59 7.840 -1.734 -2.014 1.00 0.30 H new ATOM 0 HA ALA A 59 9.469 -0.915 0.138 1.00 0.29 H new ATOM 0 HB1 ALA A 59 7.836 0.965 0.216 1.00 0.30 H new ATOM 0 HB2 ALA A 59 8.358 0.615 -1.448 1.00 0.30 H new ATOM 0 HB3 ALA A 59 6.764 0.063 -0.881 1.00 0.30 H new ATOM 873 N LEU A 60 6.490 -2.054 1.081 1.00 0.25 N ATOM 874 CA LEU A 60 5.714 -2.532 2.223 1.00 0.25 C ATOM 875 C LEU A 60 6.409 -3.738 2.858 1.00 0.27 C ATOM 876 O LEU A 60 6.540 -3.830 4.081 1.00 0.31 O ATOM 877 CB LEU A 60 4.301 -2.907 1.751 1.00 0.25 C ATOM 878 CG LEU A 60 3.441 -1.695 1.388 1.00 0.44 C ATOM 879 CD1 LEU A 60 2.275 -2.067 0.475 1.00 1.04 C ATOM 880 CD2 LEU A 60 2.823 -1.047 2.620 1.00 0.90 C ATOM 0 H LEU A 60 5.982 -2.118 0.199 1.00 0.25 H new ATOM 0 HA LEU A 60 5.641 -1.746 2.974 1.00 0.25 H new ATOM 0 HB2 LEU A 60 4.378 -3.562 0.883 1.00 0.25 H new ATOM 0 HB3 LEU A 60 3.802 -3.475 2.536 1.00 0.25 H new ATOM 0 HG LEU A 60 4.123 -1.010 0.885 1.00 0.44 H new ATOM 0 HD11 LEU A 60 1.694 -1.174 0.245 1.00 1.04 H new ATOM 0 HD12 LEU A 60 2.660 -2.498 -0.449 1.00 1.04 H new ATOM 0 HD13 LEU A 60 1.638 -2.795 0.977 1.00 1.04 H new ATOM 0 HD21 LEU A 60 2.221 -0.191 2.317 1.00 0.90 H new ATOM 0 HD22 LEU A 60 2.191 -1.771 3.134 1.00 0.90 H new ATOM 0 HD23 LEU A 60 3.614 -0.714 3.292 1.00 0.90 H new ATOM 892 N GLN A 61 6.882 -4.645 2.004 1.00 0.28 N ATOM 893 CA GLN A 61 7.708 -5.781 2.379 1.00 0.39 C ATOM 894 C GLN A 61 8.865 -5.288 3.246 1.00 0.38 C ATOM 895 O GLN A 61 9.016 -5.735 4.380 1.00 0.40 O ATOM 896 CB GLN A 61 8.230 -6.505 1.121 1.00 0.52 C ATOM 897 CG GLN A 61 8.157 -8.031 1.209 1.00 0.85 C ATOM 898 CD GLN A 61 6.730 -8.564 1.300 1.00 1.14 C ATOM 899 OE1 GLN A 61 6.296 -9.034 2.348 1.00 2.89 O ATOM 900 NE2 GLN A 61 6.000 -8.527 0.194 1.00 0.72 N ATOM 0 H GLN A 61 6.692 -4.604 1.003 1.00 0.28 H new ATOM 0 HA GLN A 61 7.114 -6.496 2.949 1.00 0.39 H new ATOM 0 HB2 GLN A 61 7.654 -6.173 0.257 1.00 0.52 H new ATOM 0 HB3 GLN A 61 9.265 -6.210 0.947 1.00 0.52 H new ATOM 0 HG2 GLN A 61 8.643 -8.462 0.334 1.00 0.85 H new ATOM 0 HG3 GLN A 61 8.718 -8.365 2.082 1.00 0.85 H new ATOM 0 HE21 GLN A 61 6.389 -8.130 -0.661 1.00 0.72 H new ATOM 0 HE22 GLN A 61 5.049 -8.896 0.198 1.00 0.72 H new ATOM 909 N LYS A 62 9.663 -4.346 2.727 1.00 0.37 N ATOM 910 CA LYS A 62 10.799 -3.827 3.469 1.00 0.40 C ATOM 911 C LYS A 62 10.348 -3.156 4.772 1.00 0.38 C ATOM 912 O LYS A 62 10.964 -3.350 5.817 1.00 0.43 O ATOM 913 CB LYS A 62 11.599 -2.847 2.602 1.00 0.45 C ATOM 914 CG LYS A 62 12.941 -2.511 3.268 1.00 1.40 C ATOM 915 CD LYS A 62 13.575 -1.287 2.601 1.00 1.82 C ATOM 916 CE LYS A 62 14.912 -0.963 3.286 1.00 3.05 C ATOM 917 NZ LYS A 62 15.518 0.282 2.771 1.00 3.98 N ATOM 0 H LYS A 62 9.537 -3.935 1.802 1.00 0.37 H new ATOM 0 HA LYS A 62 11.445 -4.665 3.733 1.00 0.40 H new ATOM 0 HB2 LYS A 62 11.774 -3.282 1.618 1.00 0.45 H new ATOM 0 HB3 LYS A 62 11.023 -1.934 2.449 1.00 0.45 H new ATOM 0 HG2 LYS A 62 12.789 -2.317 4.330 1.00 1.40 H new ATOM 0 HG3 LYS A 62 13.615 -3.364 3.193 1.00 1.40 H new ATOM 0 HD2 LYS A 62 13.735 -1.480 1.540 1.00 1.82 H new ATOM 0 HD3 LYS A 62 12.902 -0.432 2.671 1.00 1.82 H new ATOM 0 HE2 LYS A 62 14.754 -0.870 4.361 1.00 3.05 H new ATOM 0 HE3 LYS A 62 15.605 -1.791 3.136 1.00 3.05 H new ATOM 0 HZ1 LYS A 62 16.417 0.459 3.262 1.00 3.98 H new ATOM 0 HZ2 LYS A 62 15.694 0.186 1.750 1.00 3.98 H new ATOM 0 HZ3 LYS A 62 14.870 1.078 2.937 1.00 3.98 H new ATOM 931 N ALA A 63 9.304 -2.326 4.695 1.00 0.38 N ATOM 932 CA ALA A 63 8.754 -1.600 5.832 1.00 0.40 C ATOM 933 C ALA A 63 8.328 -2.568 6.938 1.00 0.39 C ATOM 934 O ALA A 63 8.441 -2.241 8.118 1.00 0.46 O ATOM 935 CB ALA A 63 7.590 -0.719 5.372 1.00 0.45 C ATOM 0 H ALA A 63 8.811 -2.140 3.822 1.00 0.38 H new ATOM 0 HA ALA A 63 9.525 -0.953 6.250 1.00 0.40 H new ATOM 0 HB1 ALA A 63 7.183 -0.179 6.227 1.00 0.45 H new ATOM 0 HB2 ALA A 63 7.945 -0.006 4.628 1.00 0.45 H new ATOM 0 HB3 ALA A 63 6.812 -1.344 4.934 1.00 0.45 H new ATOM 941 N GLY A 64 7.874 -3.760 6.546 1.00 0.41 N ATOM 942 CA GLY A 64 7.740 -4.914 7.420 1.00 0.48 C ATOM 943 C GLY A 64 6.311 -5.437 7.442 1.00 0.49 C ATOM 944 O GLY A 64 5.830 -5.838 8.500 1.00 0.68 O ATOM 0 H GLY A 64 7.584 -3.948 5.587 1.00 0.41 H new ATOM 0 HA2 GLY A 64 8.412 -5.704 7.086 1.00 0.48 H new ATOM 0 HA3 GLY A 64 8.044 -4.643 8.431 1.00 0.48 H new ATOM 948 N TYR A 65 5.630 -5.436 6.291 1.00 0.43 N ATOM 949 CA TYR A 65 4.248 -5.879 6.186 1.00 0.49 C ATOM 950 C TYR A 65 4.129 -6.908 5.070 1.00 0.60 C ATOM 951 O TYR A 65 4.412 -6.603 3.913 1.00 1.25 O ATOM 952 CB TYR A 65 3.333 -4.679 5.922 1.00 0.59 C ATOM 953 CG TYR A 65 3.637 -3.477 6.794 1.00 0.68 C ATOM 954 CD1 TYR A 65 3.580 -3.595 8.193 1.00 1.78 C ATOM 955 CD2 TYR A 65 4.149 -2.303 6.213 1.00 2.13 C ATOM 956 CE1 TYR A 65 4.059 -2.556 9.006 1.00 1.92 C ATOM 957 CE2 TYR A 65 4.540 -1.227 7.026 1.00 2.21 C ATOM 958 CZ TYR A 65 4.504 -1.356 8.424 1.00 1.15 C ATOM 959 OH TYR A 65 4.810 -0.287 9.211 1.00 1.35 O ATOM 0 H TYR A 65 6.030 -5.125 5.406 1.00 0.43 H new ATOM 0 HA TYR A 65 3.939 -6.342 7.123 1.00 0.49 H new ATOM 0 HB2 TYR A 65 3.422 -4.389 4.875 1.00 0.59 H new ATOM 0 HB3 TYR A 65 2.298 -4.981 6.082 1.00 0.59 H new ATOM 0 HD1 TYR A 65 3.167 -4.486 8.643 1.00 1.78 H new ATOM 0 HD2 TYR A 65 4.242 -2.229 5.140 1.00 2.13 H new ATOM 0 HE1 TYR A 65 4.086 -2.678 10.079 1.00 1.92 H new ATOM 0 HE2 TYR A 65 4.868 -0.301 6.577 1.00 2.21 H new ATOM 0 HH TYR A 65 5.693 0.059 8.964 1.00 1.35 H new ATOM 969 N SER A 66 3.677 -8.113 5.412 1.00 0.52 N ATOM 970 CA SER A 66 3.422 -9.166 4.458 1.00 0.45 C ATOM 971 C SER A 66 2.048 -8.910 3.847 1.00 0.38 C ATOM 972 O SER A 66 1.031 -8.938 4.543 1.00 0.55 O ATOM 973 CB SER A 66 3.498 -10.513 5.184 1.00 0.64 C ATOM 974 OG SER A 66 3.065 -10.371 6.527 1.00 1.45 O ATOM 0 H SER A 66 3.478 -8.379 6.376 1.00 0.52 H new ATOM 0 HA SER A 66 4.159 -9.186 3.655 1.00 0.45 H new ATOM 0 HB2 SER A 66 2.877 -11.247 4.670 1.00 0.64 H new ATOM 0 HB3 SER A 66 4.521 -10.889 5.162 1.00 0.64 H new ATOM 0 HG SER A 66 3.116 -11.238 6.981 1.00 1.45 H new ATOM 980 N LEU A 67 2.034 -8.628 2.544 1.00 0.39 N ATOM 981 CA LEU A 67 0.825 -8.424 1.767 1.00 0.41 C ATOM 982 C LEU A 67 0.648 -9.547 0.753 1.00 0.46 C ATOM 983 O LEU A 67 1.460 -10.471 0.691 1.00 0.57 O ATOM 984 CB LEU A 67 0.836 -7.034 1.122 1.00 0.37 C ATOM 985 CG LEU A 67 1.990 -6.727 0.160 1.00 0.38 C ATOM 986 CD1 LEU A 67 1.901 -7.507 -1.154 1.00 0.85 C ATOM 987 CD2 LEU A 67 1.889 -5.223 -0.083 1.00 0.83 C ATOM 0 H LEU A 67 2.887 -8.534 1.992 1.00 0.39 H new ATOM 0 HA LEU A 67 -0.042 -8.459 2.427 1.00 0.41 H new ATOM 0 HB2 LEU A 67 -0.101 -6.903 0.581 1.00 0.37 H new ATOM 0 HB3 LEU A 67 0.851 -6.290 1.919 1.00 0.37 H new ATOM 0 HG LEU A 67 2.947 -7.027 0.586 1.00 0.38 H new ATOM 0 HD11 LEU A 67 2.746 -7.245 -1.791 1.00 0.85 H new ATOM 0 HD12 LEU A 67 1.922 -8.576 -0.944 1.00 0.85 H new ATOM 0 HD13 LEU A 67 0.971 -7.256 -1.664 1.00 0.85 H new ATOM 0 HD21 LEU A 67 2.680 -4.911 -0.764 1.00 0.83 H new ATOM 0 HD22 LEU A 67 0.919 -4.990 -0.522 1.00 0.83 H new ATOM 0 HD23 LEU A 67 1.995 -4.694 0.864 1.00 0.83 H new ATOM 999 N ARG A 68 -0.411 -9.456 -0.054 1.00 0.57 N ATOM 1000 CA ARG A 68 -0.590 -10.266 -1.238 1.00 0.65 C ATOM 1001 C ARG A 68 -1.039 -9.336 -2.352 1.00 0.63 C ATOM 1002 O ARG A 68 -2.073 -8.678 -2.219 1.00 0.92 O ATOM 1003 CB ARG A 68 -1.634 -11.351 -0.982 1.00 0.89 C ATOM 1004 CG ARG A 68 -1.114 -12.333 0.075 1.00 0.60 C ATOM 1005 CD ARG A 68 -1.880 -13.664 0.058 1.00 1.26 C ATOM 1006 NE ARG A 68 -1.047 -14.769 0.564 1.00 1.60 N ATOM 1007 CZ ARG A 68 -0.039 -15.342 -0.119 1.00 2.16 C ATOM 1008 NH1 ARG A 68 0.276 -14.894 -1.339 1.00 2.94 N ATOM 1009 NH2 ARG A 68 0.649 -16.355 0.420 1.00 2.89 N ATOM 0 H ARG A 68 -1.177 -8.802 0.109 1.00 0.57 H new ATOM 0 HA ARG A 68 0.338 -10.767 -1.513 1.00 0.65 H new ATOM 0 HB2 ARG A 68 -2.566 -10.899 -0.644 1.00 0.89 H new ATOM 0 HB3 ARG A 68 -1.854 -11.882 -1.908 1.00 0.89 H new ATOM 0 HG2 ARG A 68 -0.055 -12.523 -0.098 1.00 0.60 H new ATOM 0 HG3 ARG A 68 -1.199 -11.880 1.063 1.00 0.60 H new ATOM 0 HD2 ARG A 68 -2.780 -13.576 0.667 1.00 1.26 H new ATOM 0 HD3 ARG A 68 -2.204 -13.886 -0.959 1.00 1.26 H new ATOM 0 HE ARG A 68 -1.249 -15.125 1.498 1.00 1.60 H new ATOM 0 HH11 ARG A 68 -0.247 -14.120 -1.749 1.00 2.94 H new ATOM 0 HH12 ARG A 68 1.039 -15.326 -1.860 1.00 2.94 H new ATOM 0 HH21 ARG A 68 0.410 -16.695 1.351 1.00 2.89 H new ATOM 0 HH22 ARG A 68 1.412 -16.787 -0.101 1.00 2.89 H new ATOM 1023 N ASP A 69 -0.234 -9.264 -3.410 1.00 0.54 N ATOM 1024 CA ASP A 69 -0.475 -8.485 -4.599 1.00 0.61 C ATOM 1025 C ASP A 69 -1.794 -8.905 -5.210 1.00 0.60 C ATOM 1026 O ASP A 69 -1.922 -10.013 -5.731 1.00 0.86 O ATOM 1027 CB ASP A 69 0.642 -8.751 -5.605 1.00 0.91 C ATOM 1028 CG ASP A 69 1.999 -8.415 -5.023 1.00 2.73 C ATOM 1029 OD1 ASP A 69 2.381 -9.162 -4.094 1.00 4.20 O ATOM 1030 OD2 ASP A 69 2.583 -7.415 -5.488 1.00 3.70 O ATOM 0 H ASP A 69 0.646 -9.778 -3.452 1.00 0.54 H new ATOM 0 HA ASP A 69 -0.504 -7.425 -4.345 1.00 0.61 H new ATOM 0 HB2 ASP A 69 0.622 -9.799 -5.905 1.00 0.91 H new ATOM 0 HB3 ASP A 69 0.473 -8.159 -6.504 1.00 0.91 H new ATOM 1035 N GLU A 70 -2.774 -8.017 -5.117 1.00 0.54 N ATOM 1036 CA GLU A 70 -4.123 -8.321 -5.533 1.00 0.60 C ATOM 1037 C GLU A 70 -4.382 -7.853 -6.964 1.00 0.66 C ATOM 1038 O GLU A 70 -3.536 -7.232 -7.619 1.00 0.77 O ATOM 1039 CB GLU A 70 -5.103 -7.704 -4.532 1.00 0.64 C ATOM 1040 CG GLU A 70 -5.946 -8.725 -3.780 1.00 0.64 C ATOM 1041 CD GLU A 70 -7.129 -9.179 -4.607 1.00 1.41 C ATOM 1042 OE1 GLU A 70 -6.878 -9.763 -5.681 1.00 2.92 O ATOM 1043 OE2 GLU A 70 -8.262 -8.885 -4.176 1.00 1.96 O ATOM 0 H GLU A 70 -2.651 -7.072 -4.752 1.00 0.54 H new ATOM 0 HA GLU A 70 -4.269 -9.401 -5.539 1.00 0.60 H new ATOM 0 HB2 GLU A 70 -4.543 -7.109 -3.811 1.00 0.64 H new ATOM 0 HB3 GLU A 70 -5.766 -7.021 -5.063 1.00 0.64 H new ATOM 0 HG2 GLU A 70 -5.331 -9.586 -3.519 1.00 0.64 H new ATOM 0 HG3 GLU A 70 -6.299 -8.290 -2.845 1.00 0.64 H new ATOM 1050 N GLN A 71 -5.592 -8.149 -7.428 1.00 0.64 N ATOM 1051 CA GLN A 71 -6.203 -7.557 -8.600 1.00 0.58 C ATOM 1052 C GLN A 71 -6.271 -6.026 -8.472 1.00 0.58 C ATOM 1053 O GLN A 71 -6.073 -5.445 -7.402 1.00 0.78 O ATOM 1054 CB GLN A 71 -7.601 -8.174 -8.770 1.00 0.63 C ATOM 1055 CG GLN A 71 -8.549 -7.690 -7.663 1.00 1.82 C ATOM 1056 CD GLN A 71 -9.752 -8.605 -7.458 1.00 2.66 C ATOM 1057 OE1 GLN A 71 -10.424 -8.982 -8.415 1.00 3.14 O ATOM 1058 NE2 GLN A 71 -10.019 -8.954 -6.206 1.00 3.55 N ATOM 0 H GLN A 71 -6.194 -8.837 -6.975 1.00 0.64 H new ATOM 0 HA GLN A 71 -5.602 -7.767 -9.485 1.00 0.58 H new ATOM 0 HB2 GLN A 71 -8.006 -7.905 -9.745 1.00 0.63 H new ATOM 0 HB3 GLN A 71 -7.529 -9.261 -8.744 1.00 0.63 H new ATOM 0 HG2 GLN A 71 -7.995 -7.614 -6.727 1.00 1.82 H new ATOM 0 HG3 GLN A 71 -8.901 -6.688 -7.908 1.00 1.82 H new ATOM 0 HE21 GLN A 71 -9.430 -8.614 -5.445 1.00 3.55 H new ATOM 0 HE22 GLN A 71 -10.813 -9.562 -6.004 1.00 3.55 H new ATOM 1067 N ALA A 72 -6.598 -5.367 -9.586 1.00 0.58 N ATOM 1068 CA ALA A 72 -6.781 -3.926 -9.622 1.00 0.65 C ATOM 1069 C ALA A 72 -7.830 -3.497 -8.588 1.00 1.04 C ATOM 1070 O ALA A 72 -7.533 -2.760 -7.649 1.00 2.10 O ATOM 1071 CB ALA A 72 -7.177 -3.505 -11.042 1.00 1.07 C ATOM 0 H ALA A 72 -6.742 -5.824 -10.486 1.00 0.58 H new ATOM 0 HA ALA A 72 -5.848 -3.426 -9.362 1.00 0.65 H new ATOM 0 HB1 ALA A 72 -7.316 -2.424 -11.076 1.00 1.07 H new ATOM 0 HB2 ALA A 72 -6.390 -3.792 -11.739 1.00 1.07 H new ATOM 0 HB3 ALA A 72 -8.107 -3.999 -11.322 1.00 1.07 H new ATOM 1077 N ALA A 73 -9.057 -3.995 -8.756 1.00 1.11 N ATOM 1078 CA ALA A 73 -10.181 -3.739 -7.873 1.00 1.51 C ATOM 1079 C ALA A 73 -11.108 -4.949 -7.927 1.00 2.12 C ATOM 1080 O ALA A 73 -11.016 -5.734 -8.872 1.00 2.34 O ATOM 1081 CB ALA A 73 -10.916 -2.481 -8.339 1.00 1.49 C ATOM 0 H ALA A 73 -9.296 -4.606 -9.537 1.00 1.11 H new ATOM 0 HA ALA A 73 -9.842 -3.580 -6.849 1.00 1.51 H new ATOM 0 HB1 ALA A 73 -11.760 -2.287 -7.678 1.00 1.49 H new ATOM 0 HB2 ALA A 73 -10.234 -1.631 -8.316 1.00 1.49 H new ATOM 0 HB3 ALA A 73 -11.278 -2.627 -9.357 1.00 1.49 H new ATOM 1087 N GLU A 74 -11.981 -5.069 -6.930 1.00 3.19 N ATOM 1088 CA GLU A 74 -13.058 -6.033 -6.844 1.00 4.11 C ATOM 1089 C GLU A 74 -14.309 -5.163 -6.708 1.00 5.52 C ATOM 1090 O GLU A 74 -14.159 -4.090 -6.072 1.00 6.62 O ATOM 1091 CB GLU A 74 -12.821 -6.922 -5.609 1.00 5.47 C ATOM 1092 CG GLU A 74 -13.533 -8.278 -5.692 1.00 5.50 C ATOM 1093 CD GLU A 74 -12.991 -9.249 -4.651 1.00 6.84 C ATOM 1094 OE1 GLU A 74 -13.379 -9.109 -3.471 1.00 7.77 O ATOM 1095 OE2 GLU A 74 -12.176 -10.106 -5.060 1.00 7.38 O ATOM 1096 OXT GLU A 74 -15.359 -5.537 -7.276 1.00 6.02 O ATOM 0 H GLU A 74 -11.947 -4.456 -6.115 1.00 3.19 H new ATOM 0 HA GLU A 74 -13.140 -6.707 -7.697 1.00 4.11 H new ATOM 0 HB2 GLU A 74 -11.750 -7.088 -5.490 1.00 5.47 H new ATOM 0 HB3 GLU A 74 -13.163 -6.394 -4.719 1.00 5.47 H new ATOM 0 HG2 GLU A 74 -14.604 -8.139 -5.541 1.00 5.50 H new ATOM 0 HG3 GLU A 74 -13.403 -8.700 -6.689 1.00 5.50 H new TER 1103 GLU A 74