USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 946 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 51 HIS : no HD1:sc= 0 X(o=2.8,f=2.6) USER MOD Set 1.2: A 54 CYS SG : rot 66:sc= 0.692 USER MOD Set 1.3: B 2 LYS NZ :NH3+ -152:sc= 2.1 (180deg=0.817) USER MOD Single : A 1 MET CE :methyl -142:sc= -0.237 (180deg=-0.883) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.683 (180deg=-0.952!) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= -1.49! (180deg=-2.81!) USER MOD Single : A 3 SER OG : rot 81:sc= 1.46 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0258 (180deg=-0.158) USER MOD Single : A 18 MET CE :methyl -159:sc= -4.24! (180deg=-5.04!) USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= 1.47 (180deg=0.148) USER MOD Single : A 33 SER OG : rot -21:sc= 0.867 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.64 (180deg=1.58) USER MOD Single : A 46 LYS NZ :NH3+ -118:sc= -0.783 (180deg=-2.02!) USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= 2.29 (180deg=0.599) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.055 (180deg=-0.373) USER MOD Single : B 1 MET CE :methyl -158:sc= -0.187 (180deg=-0.693) USER MOD Single : B 1 MET N :NH3+ -109:sc= 1.04 (180deg=-0.758!) USER MOD Single : B 3 SER OG : rot 84:sc= 1.17 USER MOD Single : B 9 LYS NZ :NH3+ 167:sc= -0.0286 (180deg=-0.199) USER MOD Single : B 18 MET CE :methyl -161:sc= -2.85 (180deg=-4.08!) USER MOD Single : B 31 LYS NZ :NH3+ 135:sc= 0.981 (180deg=0.217) USER MOD Single : B 33 SER OG : rot -19:sc= 0.721 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 160:sc= -1.66! (180deg=-3.01!) USER MOD Single : B 47 LYS NZ :NH3+ -170:sc= 2.37 (180deg=2.18) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.0681 (180deg=-0.34) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 CYS SG : rot 60:sc= -0.013 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.905 4.115 -10.661 1.00 2.39 N ATOM 2 CA MET A 1 -8.956 4.476 -11.734 1.00 1.49 C ATOM 3 C MET A 1 -8.111 5.670 -11.305 1.00 1.24 C ATOM 4 O MET A 1 -8.631 6.759 -11.071 1.00 1.91 O ATOM 5 CB MET A 1 -9.720 4.796 -13.021 1.00 2.01 C ATOM 6 CG MET A 1 -8.822 5.114 -14.206 1.00 2.70 C ATOM 7 SD MET A 1 -9.749 5.390 -15.728 1.00 3.90 S ATOM 8 CE MET A 1 -10.545 3.797 -15.928 1.00 4.80 C ATOM 0 H1 MET A 1 -9.794 3.108 -10.424 1.00 2.39 H new ATOM 0 H2 MET A 1 -9.712 4.693 -9.818 1.00 2.39 H new ATOM 0 H3 MET A 1 -10.878 4.289 -10.985 1.00 2.39 H new ATOM 0 HA MET A 1 -8.293 3.632 -11.922 1.00 1.49 H new ATOM 0 HB2 MET A 1 -10.355 3.947 -13.276 1.00 2.01 H new ATOM 0 HB3 MET A 1 -10.380 5.644 -12.839 1.00 2.01 H new ATOM 0 HG2 MET A 1 -8.230 6.001 -13.980 1.00 2.70 H new ATOM 0 HG3 MET A 1 -8.121 4.293 -14.356 1.00 2.70 H new ATOM 0 HE1 MET A 1 -10.568 3.532 -16.985 1.00 4.80 H new ATOM 0 HE2 MET A 1 -9.988 3.040 -15.376 1.00 4.80 H new ATOM 0 HE3 MET A 1 -11.564 3.849 -15.545 1.00 4.80 H new ATOM 20 N LYS A 2 -6.808 5.445 -11.192 1.00 0.91 N ATOM 21 CA LYS A 2 -5.870 6.473 -10.752 1.00 0.58 C ATOM 22 C LYS A 2 -4.579 6.377 -11.557 1.00 0.56 C ATOM 23 O LYS A 2 -4.567 5.777 -12.633 1.00 0.81 O ATOM 24 CB LYS A 2 -5.573 6.316 -9.254 1.00 0.74 C ATOM 25 CG LYS A 2 -6.739 6.720 -8.360 1.00 0.82 C ATOM 26 CD LYS A 2 -6.324 6.852 -6.900 1.00 0.85 C ATOM 27 CE LYS A 2 -6.210 5.504 -6.223 1.00 1.75 C ATOM 28 NZ LYS A 2 -7.551 4.926 -5.949 1.00 2.48 N ATOM 0 H LYS A 2 -6.371 4.547 -11.402 1.00 0.91 H new ATOM 0 HA LYS A 2 -6.318 7.453 -10.917 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.311 5.278 -9.050 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.703 6.920 -8.998 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -7.149 7.668 -8.707 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -7.534 5.979 -8.445 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -5.367 7.371 -6.840 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -7.053 7.465 -6.369 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -5.640 4.823 -6.855 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -5.658 5.609 -5.289 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -7.477 4.224 -5.185 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -8.203 5.683 -5.661 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -7.913 4.466 -6.809 1.00 2.48 H new ATOM 42 N SER A 3 -3.503 6.963 -11.030 1.00 0.41 N ATOM 43 CA SER A 3 -2.188 6.906 -11.666 1.00 0.39 C ATOM 44 C SER A 3 -1.829 5.479 -12.069 1.00 0.37 C ATOM 45 O SER A 3 -1.477 5.211 -13.218 1.00 0.48 O ATOM 46 CB SER A 3 -1.129 7.440 -10.706 1.00 0.37 C ATOM 47 OG SER A 3 -1.405 8.774 -10.341 1.00 1.00 O ATOM 0 H SER A 3 -3.519 7.487 -10.155 1.00 0.41 H new ATOM 0 HA SER A 3 -2.222 7.520 -12.566 1.00 0.39 H new ATOM 0 HB2 SER A 3 -1.093 6.815 -9.814 1.00 0.37 H new ATOM 0 HB3 SER A 3 -0.146 7.383 -11.174 1.00 0.37 H new ATOM 0 HG SER A 3 -2.083 8.786 -9.633 1.00 1.00 H new ATOM 53 N ILE A 4 -1.917 4.564 -11.114 1.00 0.29 N ATOM 54 CA ILE A 4 -1.679 3.162 -11.399 1.00 0.27 C ATOM 55 C ILE A 4 -2.977 2.538 -11.888 1.00 0.29 C ATOM 56 O ILE A 4 -2.983 1.651 -12.743 1.00 0.34 O ATOM 57 CB ILE A 4 -1.167 2.398 -10.159 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.357 3.332 -9.252 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.319 1.212 -10.601 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.318 2.626 -8.097 1.00 0.26 C ATOM 0 H ILE A 4 -2.150 4.768 -10.142 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.905 3.093 -12.164 1.00 0.27 H new ATOM 0 HB ILE A 4 -2.021 2.029 -9.590 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.401 3.837 -9.850 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -1.018 4.104 -8.858 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.041 0.675 -9.723 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.922 0.542 -11.214 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.531 1.569 -11.182 1.00 0.26 H new ATOM 0 HD11 ILE A 4 0.872 3.351 -7.501 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.436 2.144 -7.474 1.00 0.26 H new ATOM 0 HD13 ILE A 4 1.005 1.873 -8.482 1.00 0.26 H new ATOM 72 N GLY A 5 -4.078 3.035 -11.335 1.00 0.31 N ATOM 73 CA GLY A 5 -5.396 2.625 -11.771 1.00 0.35 C ATOM 74 C GLY A 5 -5.722 1.210 -11.372 1.00 0.33 C ATOM 75 O GLY A 5 -6.616 0.588 -11.942 1.00 0.51 O ATOM 0 H GLY A 5 -4.077 3.724 -10.583 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.141 3.299 -11.348 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.462 2.718 -12.855 1.00 0.35 H new ATOM 79 N VAL A 6 -5.003 0.700 -10.389 1.00 0.18 N ATOM 80 CA VAL A 6 -5.205 -0.667 -9.960 1.00 0.15 C ATOM 81 C VAL A 6 -5.711 -0.724 -8.527 1.00 0.14 C ATOM 82 O VAL A 6 -5.170 -0.078 -7.624 1.00 0.17 O ATOM 83 CB VAL A 6 -3.917 -1.514 -10.097 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.515 -1.643 -11.557 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.779 -0.919 -9.284 1.00 0.17 C ATOM 0 H VAL A 6 -4.281 1.208 -9.878 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.961 -1.093 -10.619 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.128 -2.509 -9.704 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.607 -2.242 -11.633 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.317 -2.128 -12.114 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.332 -0.652 -11.973 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.888 -1.536 -9.400 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.570 0.091 -9.636 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.062 -0.885 -8.232 1.00 0.17 H new ATOM 95 N VAL A 7 -6.762 -1.506 -8.347 1.00 0.14 N ATOM 96 CA VAL A 7 -7.357 -1.719 -7.045 1.00 0.13 C ATOM 97 C VAL A 7 -7.180 -3.174 -6.642 1.00 0.14 C ATOM 98 O VAL A 7 -7.259 -4.075 -7.480 1.00 0.17 O ATOM 99 CB VAL A 7 -8.859 -1.332 -7.028 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.652 -2.144 -8.040 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.447 -1.487 -5.634 1.00 0.13 C ATOM 0 H VAL A 7 -7.225 -2.010 -9.103 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.850 -1.074 -6.327 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.930 -0.282 -7.313 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.700 -1.848 -8.002 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.259 -1.962 -9.040 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.565 -3.205 -7.804 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.501 -1.209 -5.651 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.350 -2.524 -5.311 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.912 -0.839 -4.939 1.00 0.13 H new ATOM 111 N ARG A 8 -6.917 -3.400 -5.373 1.00 0.14 N ATOM 112 CA ARG A 8 -6.660 -4.735 -4.877 1.00 0.15 C ATOM 113 C ARG A 8 -7.729 -5.153 -3.901 1.00 0.14 C ATOM 114 O ARG A 8 -8.498 -4.326 -3.411 1.00 0.17 O ATOM 115 CB ARG A 8 -5.300 -4.820 -4.190 1.00 0.18 C ATOM 116 CG ARG A 8 -4.187 -5.366 -5.071 1.00 0.28 C ATOM 117 CD ARG A 8 -3.905 -4.462 -6.262 1.00 0.34 C ATOM 118 NE ARG A 8 -4.274 -5.063 -7.545 1.00 0.67 N ATOM 119 CZ ARG A 8 -3.460 -5.082 -8.607 1.00 0.56 C ATOM 120 NH1 ARG A 8 -2.212 -4.641 -8.493 1.00 0.87 N ATOM 121 NH2 ARG A 8 -3.883 -5.556 -9.773 1.00 1.21 N ATOM 0 H ARG A 8 -6.875 -2.671 -4.661 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.665 -5.406 -5.736 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -5.018 -3.826 -3.843 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.391 -5.452 -3.306 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.279 -5.479 -4.479 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.461 -6.359 -5.427 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -4.450 -3.527 -6.137 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -2.844 -4.213 -6.277 1.00 0.34 H new ATOM 0 HE ARG A 8 -5.197 -5.488 -7.634 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -1.875 -4.289 -7.597 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -1.590 -4.655 -9.302 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -4.835 -5.910 -9.865 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -3.256 -5.567 -10.577 1.00 1.21 H new ATOM 135 N LYS A 9 -7.766 -6.438 -3.627 1.00 0.14 N ATOM 136 CA LYS A 9 -8.667 -6.982 -2.642 1.00 0.15 C ATOM 137 C LYS A 9 -7.842 -7.662 -1.569 1.00 0.17 C ATOM 138 O LYS A 9 -7.010 -8.517 -1.877 1.00 0.22 O ATOM 139 CB LYS A 9 -9.635 -7.980 -3.290 1.00 0.22 C ATOM 140 CG LYS A 9 -10.362 -7.426 -4.511 1.00 0.51 C ATOM 141 CD LYS A 9 -11.100 -6.131 -4.195 1.00 0.36 C ATOM 142 CE LYS A 9 -11.879 -5.607 -5.390 1.00 0.98 C ATOM 143 NZ LYS A 9 -12.953 -6.542 -5.819 1.00 1.13 N ATOM 0 H LYS A 9 -7.173 -7.132 -4.081 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.263 -6.183 -2.202 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.081 -8.872 -3.582 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.372 -8.291 -2.549 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.644 -7.248 -5.311 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.071 -8.168 -4.878 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.784 -6.298 -3.363 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.383 -5.376 -3.872 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -12.320 -4.642 -5.139 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -11.194 -5.438 -6.221 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -13.581 -6.062 -6.495 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -12.527 -7.375 -6.273 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -13.503 -6.843 -4.989 1.00 1.13 H new ATOM 157 N VAL A 10 -8.041 -7.250 -0.326 1.00 0.16 N ATOM 158 CA VAL A 10 -7.335 -7.845 0.793 1.00 0.18 C ATOM 159 C VAL A 10 -7.580 -9.347 0.821 1.00 0.20 C ATOM 160 O VAL A 10 -8.671 -9.816 0.504 1.00 0.24 O ATOM 161 CB VAL A 10 -7.765 -7.211 2.140 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.292 -8.039 3.322 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.228 -5.798 2.255 1.00 0.18 C ATOM 0 H VAL A 10 -8.688 -6.504 -0.069 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.271 -7.652 0.659 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.855 -7.185 2.157 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.611 -7.564 4.250 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.720 -9.039 3.260 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.204 -8.108 3.306 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.539 -5.367 3.207 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.139 -5.817 2.204 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.619 -5.192 1.437 1.00 0.18 H new ATOM 173 N ASP A 11 -6.546 -10.094 1.156 1.00 0.17 N ATOM 174 CA ASP A 11 -6.647 -11.538 1.260 1.00 0.21 C ATOM 175 C ASP A 11 -7.670 -11.905 2.327 1.00 0.22 C ATOM 176 O ASP A 11 -8.791 -12.301 2.012 1.00 0.24 O ATOM 177 CB ASP A 11 -5.274 -12.134 1.579 1.00 0.24 C ATOM 178 CG ASP A 11 -5.321 -13.623 1.846 1.00 0.58 C ATOM 179 OD1 ASP A 11 -5.747 -14.384 0.956 1.00 1.31 O ATOM 180 OD2 ASP A 11 -4.899 -14.036 2.947 1.00 1.30 O ATOM 0 H ASP A 11 -5.619 -9.722 1.362 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.982 -11.952 0.309 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.598 -11.941 0.746 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.858 -11.628 2.450 1.00 0.24 H new ATOM 185 N GLU A 12 -7.281 -11.750 3.585 1.00 0.23 N ATOM 186 CA GLU A 12 -8.194 -11.912 4.712 1.00 0.25 C ATOM 187 C GLU A 12 -7.721 -11.029 5.859 1.00 0.26 C ATOM 188 O GLU A 12 -8.497 -10.303 6.476 1.00 0.30 O ATOM 189 CB GLU A 12 -8.255 -13.374 5.189 1.00 0.29 C ATOM 190 CG GLU A 12 -8.549 -14.387 4.092 1.00 0.33 C ATOM 191 CD GLU A 12 -8.965 -15.736 4.639 1.00 0.40 C ATOM 192 OE1 GLU A 12 -10.177 -15.936 4.887 1.00 1.23 O ATOM 193 OE2 GLU A 12 -8.087 -16.606 4.829 1.00 1.10 O ATOM 0 H GLU A 12 -6.327 -11.509 3.854 1.00 0.23 H new ATOM 0 HA GLU A 12 -9.194 -11.623 4.388 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -7.304 -13.630 5.656 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -9.022 -13.459 5.959 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.340 -14.001 3.449 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.663 -14.510 3.469 1.00 0.33 H new ATOM 200 N LEU A 13 -6.423 -11.101 6.120 1.00 0.26 N ATOM 201 CA LEU A 13 -5.799 -10.335 7.190 1.00 0.27 C ATOM 202 C LEU A 13 -5.599 -8.884 6.769 1.00 0.26 C ATOM 203 O LEU A 13 -5.985 -7.956 7.480 1.00 0.41 O ATOM 204 CB LEU A 13 -4.438 -10.938 7.554 1.00 0.30 C ATOM 205 CG LEU A 13 -4.376 -12.464 7.636 1.00 0.31 C ATOM 206 CD1 LEU A 13 -4.087 -13.062 6.265 1.00 0.85 C ATOM 207 CD2 LEU A 13 -3.327 -12.899 8.645 1.00 0.72 C ATOM 0 H LEU A 13 -5.775 -11.690 5.598 1.00 0.26 H new ATOM 0 HA LEU A 13 -6.460 -10.372 8.056 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.707 -10.604 6.817 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -4.129 -10.530 8.516 1.00 0.30 H new ATOM 0 HG LEU A 13 -5.346 -12.832 7.970 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -4.047 -14.148 6.343 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -4.877 -12.777 5.570 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -3.130 -12.689 5.900 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -3.296 -13.988 8.691 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -2.351 -12.521 8.341 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -3.580 -12.501 9.628 1.00 0.72 H new ATOM 219 N GLY A 14 -5.002 -8.705 5.600 1.00 0.17 N ATOM 220 CA GLY A 14 -4.672 -7.376 5.119 1.00 0.16 C ATOM 221 C GLY A 14 -3.711 -7.423 3.946 1.00 0.12 C ATOM 222 O GLY A 14 -3.404 -6.402 3.343 1.00 0.12 O ATOM 0 H GLY A 14 -4.738 -9.462 4.970 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.585 -6.861 4.820 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.229 -6.796 5.929 1.00 0.16 H new ATOM 226 N ARG A 15 -3.242 -8.625 3.623 1.00 0.12 N ATOM 227 CA ARG A 15 -2.268 -8.815 2.552 1.00 0.11 C ATOM 228 C ARG A 15 -2.896 -8.534 1.190 1.00 0.10 C ATOM 229 O ARG A 15 -4.008 -8.984 0.917 1.00 0.14 O ATOM 230 CB ARG A 15 -1.746 -10.253 2.562 1.00 0.15 C ATOM 231 CG ARG A 15 -1.425 -10.791 3.945 1.00 0.25 C ATOM 232 CD ARG A 15 -0.833 -12.189 3.868 1.00 0.40 C ATOM 233 NE ARG A 15 -1.813 -13.169 3.395 1.00 1.45 N ATOM 234 CZ ARG A 15 -1.526 -14.437 3.104 1.00 1.87 C ATOM 235 NH1 ARG A 15 -0.275 -14.876 3.163 1.00 1.51 N ATOM 236 NH2 ARG A 15 -2.499 -15.263 2.742 1.00 3.03 N ATOM 0 H ARG A 15 -3.523 -9.487 4.091 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.447 -8.118 2.722 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.489 -10.900 2.097 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.848 -10.305 1.947 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.723 -10.123 4.444 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.331 -10.810 4.550 1.00 0.25 H new ATOM 0 HD2 ARG A 15 0.027 -12.183 3.199 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -0.469 -12.484 4.852 1.00 0.40 H new ATOM 0 HE ARG A 15 -2.779 -12.861 3.281 1.00 1.45 H new ATOM 0 HH11 ARG A 15 0.476 -14.241 3.433 1.00 1.51 H new ATOM 0 HH12 ARG A 15 -0.065 -15.848 2.938 1.00 1.51 H new ATOM 0 HH21 ARG A 15 -3.460 -14.926 2.688 1.00 3.03 H new ATOM 0 HH22 ARG A 15 -2.286 -16.235 2.518 1.00 3.03 H new ATOM 250 N ILE A 16 -2.183 -7.793 0.345 1.00 0.09 N ATOM 251 CA ILE A 16 -2.621 -7.547 -1.028 1.00 0.09 C ATOM 252 C ILE A 16 -1.400 -7.585 -1.953 1.00 0.10 C ATOM 253 O ILE A 16 -0.277 -7.799 -1.495 1.00 0.12 O ATOM 254 CB ILE A 16 -3.376 -6.190 -1.198 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.403 -5.049 -1.510 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.204 -5.858 0.039 1.00 0.13 C ATOM 257 CD1 ILE A 16 -3.029 -3.669 -1.448 1.00 0.13 C ATOM 0 H ILE A 16 -1.296 -7.351 0.588 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.332 -8.330 -1.291 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.055 -6.301 -2.043 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.572 -5.091 -0.806 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.986 -5.203 -2.505 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.717 -4.908 -0.111 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.939 -6.645 0.207 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.548 -5.783 0.906 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.275 -2.917 -1.681 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.841 -3.605 -2.172 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.421 -3.492 -0.446 1.00 0.13 H new ATOM 269 N VAL A 17 -1.610 -7.381 -3.244 1.00 0.10 N ATOM 270 CA VAL A 17 -0.513 -7.413 -4.199 1.00 0.11 C ATOM 271 C VAL A 17 -0.180 -6.007 -4.694 1.00 0.12 C ATOM 272 O VAL A 17 -0.976 -5.369 -5.386 1.00 0.19 O ATOM 273 CB VAL A 17 -0.812 -8.355 -5.395 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.150 -8.031 -6.048 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.310 -8.294 -6.424 1.00 0.17 C ATOM 0 H VAL A 17 -2.525 -7.192 -3.653 1.00 0.10 H new ATOM 0 HA VAL A 17 0.356 -7.813 -3.676 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.872 -9.370 -5.002 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.323 -8.712 -6.881 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -2.949 -8.144 -5.315 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.137 -7.005 -6.415 1.00 0.19 H new ATOM 0 HG21 VAL A 17 0.079 -8.962 -7.254 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.408 -7.274 -6.796 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.247 -8.602 -5.960 1.00 0.17 H new ATOM 285 N MET A 18 0.988 -5.516 -4.308 1.00 0.11 N ATOM 286 CA MET A 18 1.446 -4.216 -4.777 1.00 0.12 C ATOM 287 C MET A 18 2.113 -4.383 -6.136 1.00 0.11 C ATOM 288 O MET A 18 2.703 -5.429 -6.414 1.00 0.13 O ATOM 289 CB MET A 18 2.411 -3.570 -3.776 1.00 0.15 C ATOM 290 CG MET A 18 1.840 -3.417 -2.373 1.00 0.28 C ATOM 291 SD MET A 18 0.169 -2.744 -2.357 1.00 0.84 S ATOM 292 CE MET A 18 0.454 -1.093 -2.975 1.00 0.80 C ATOM 0 H MET A 18 1.632 -5.993 -3.677 1.00 0.11 H new ATOM 0 HA MET A 18 0.586 -3.552 -4.871 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.319 -4.171 -3.724 1.00 0.15 H new ATOM 0 HB3 MET A 18 2.700 -2.587 -4.148 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.838 -4.389 -1.880 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.493 -2.766 -1.791 1.00 0.28 H new ATOM 0 HE1 MET A 18 -0.374 -0.447 -2.682 1.00 0.80 H new ATOM 0 HE2 MET A 18 1.383 -0.704 -2.558 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.527 -1.119 -4.062 1.00 0.80 H new ATOM 302 N PRO A 19 2.030 -3.369 -7.008 1.00 0.12 N ATOM 303 CA PRO A 19 2.454 -3.508 -8.391 1.00 0.13 C ATOM 304 C PRO A 19 3.963 -3.384 -8.585 1.00 0.13 C ATOM 305 O PRO A 19 4.686 -2.798 -7.764 1.00 0.13 O ATOM 306 CB PRO A 19 1.727 -2.360 -9.091 1.00 0.15 C ATOM 307 CG PRO A 19 1.578 -1.304 -8.050 1.00 0.16 C ATOM 308 CD PRO A 19 1.542 -2.008 -6.714 1.00 0.15 C ATOM 0 HA PRO A 19 2.218 -4.498 -8.782 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.297 -1.994 -9.945 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.756 -2.680 -9.470 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.408 -0.599 -8.093 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.665 -0.731 -8.209 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.176 -1.507 -5.983 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.533 -2.027 -6.301 1.00 0.15 H new ATOM 316 N ILE A 20 4.433 -3.945 -9.690 1.00 0.15 N ATOM 317 CA ILE A 20 5.808 -3.759 -10.125 1.00 0.16 C ATOM 318 C ILE A 20 6.131 -2.271 -10.186 1.00 0.16 C ATOM 319 O ILE A 20 7.234 -1.848 -9.861 1.00 0.16 O ATOM 320 CB ILE A 20 6.036 -4.408 -11.512 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.407 -4.036 -12.081 1.00 0.24 C ATOM 322 CG2 ILE A 20 4.926 -4.021 -12.483 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.567 -4.632 -11.321 1.00 0.26 C ATOM 0 H ILE A 20 3.876 -4.538 -10.306 1.00 0.15 H new ATOM 0 HA ILE A 20 6.469 -4.243 -9.407 1.00 0.16 H new ATOM 0 HB ILE A 20 6.012 -5.490 -11.379 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.459 -4.363 -13.119 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.506 -2.951 -12.083 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.109 -4.489 -13.450 1.00 0.22 H new ATOM 0 HG22 ILE A 20 3.966 -4.359 -12.092 1.00 0.22 H new ATOM 0 HG23 ILE A 20 4.908 -2.938 -12.602 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.503 -4.323 -11.785 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.542 -4.285 -10.288 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.494 -5.719 -11.340 1.00 0.26 H new ATOM 335 N GLU A 21 5.129 -1.488 -10.557 1.00 0.16 N ATOM 336 CA GLU A 21 5.243 -0.039 -10.643 1.00 0.17 C ATOM 337 C GLU A 21 5.595 0.561 -9.290 1.00 0.16 C ATOM 338 O GLU A 21 6.187 1.629 -9.220 1.00 0.19 O ATOM 339 CB GLU A 21 3.921 0.533 -11.134 1.00 0.18 C ATOM 340 CG GLU A 21 3.378 -0.212 -12.336 1.00 0.21 C ATOM 341 CD GLU A 21 4.264 -0.065 -13.553 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.211 -0.865 -13.705 1.00 1.08 O ATOM 343 OE2 GLU A 21 4.023 0.858 -14.358 1.00 1.03 O ATOM 0 H GLU A 21 4.206 -1.843 -10.809 1.00 0.16 H new ATOM 0 HA GLU A 21 6.041 0.212 -11.341 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.190 0.495 -10.326 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.057 1.583 -11.392 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.276 -1.269 -12.090 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.380 0.159 -12.569 1.00 0.21 H new ATOM 350 N LEU A 22 5.236 -0.140 -8.221 1.00 0.14 N ATOM 351 CA LEU A 22 5.567 0.297 -6.877 1.00 0.15 C ATOM 352 C LEU A 22 7.016 -0.039 -6.597 1.00 0.15 C ATOM 353 O LEU A 22 7.757 0.759 -6.021 1.00 0.17 O ATOM 354 CB LEU A 22 4.635 -0.367 -5.850 1.00 0.18 C ATOM 355 CG LEU A 22 5.300 -0.854 -4.557 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.378 -0.633 -3.374 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.662 -2.332 -4.670 1.00 0.20 C ATOM 0 H LEU A 22 4.714 -1.015 -8.263 1.00 0.14 H new ATOM 0 HA LEU A 22 5.428 1.375 -6.795 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.851 0.343 -5.587 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.148 -1.217 -6.327 1.00 0.18 H new ATOM 0 HG LEU A 22 6.214 -0.280 -4.401 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.864 -0.984 -2.463 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.155 0.430 -3.280 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.451 -1.186 -3.527 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.133 -2.663 -3.744 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.758 -2.916 -4.846 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.354 -2.475 -5.500 1.00 0.20 H new ATOM 369 N ARG A 23 7.422 -1.224 -7.039 1.00 0.13 N ATOM 370 CA ARG A 23 8.820 -1.630 -6.903 1.00 0.16 C ATOM 371 C ARG A 23 9.711 -0.702 -7.724 1.00 0.20 C ATOM 372 O ARG A 23 10.855 -0.437 -7.363 1.00 0.25 O ATOM 373 CB ARG A 23 9.058 -3.084 -7.347 1.00 0.18 C ATOM 374 CG ARG A 23 8.184 -4.114 -6.654 1.00 0.17 C ATOM 375 CD ARG A 23 8.717 -5.538 -6.847 1.00 0.24 C ATOM 376 NE ARG A 23 9.248 -5.782 -8.190 1.00 0.69 N ATOM 377 CZ ARG A 23 9.458 -7.004 -8.692 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.086 -8.078 -8.008 1.00 0.46 N ATOM 379 NH2 ARG A 23 10.038 -7.152 -9.876 1.00 1.05 N ATOM 0 H ARG A 23 6.817 -1.912 -7.487 1.00 0.13 H new ATOM 0 HA ARG A 23 9.071 -1.562 -5.844 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.892 -3.152 -8.422 1.00 0.18 H new ATOM 0 HB3 ARG A 23 10.103 -3.337 -7.169 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.131 -3.887 -5.589 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.168 -4.050 -7.045 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.501 -5.727 -6.114 1.00 0.24 H new ATOM 0 HD3 ARG A 23 7.915 -6.249 -6.646 1.00 0.24 H new ATOM 0 HE ARG A 23 9.470 -4.976 -8.774 1.00 0.69 H new ATOM 0 HH11 ARG A 23 8.639 -7.973 -7.097 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.247 -9.009 -8.393 1.00 0.46 H new ATOM 0 HH21 ARG A 23 10.326 -6.331 -10.409 1.00 1.05 H new ATOM 0 HH22 ARG A 23 10.195 -8.086 -10.254 1.00 1.05 H new ATOM 393 N ARG A 24 9.151 -0.200 -8.817 1.00 0.18 N ATOM 394 CA ARG A 24 9.872 0.656 -9.747 1.00 0.21 C ATOM 395 C ARG A 24 9.858 2.097 -9.276 1.00 0.23 C ATOM 396 O ARG A 24 10.811 2.843 -9.502 1.00 0.27 O ATOM 397 CB ARG A 24 9.235 0.571 -11.132 1.00 0.22 C ATOM 398 CG ARG A 24 9.304 -0.813 -11.745 1.00 0.23 C ATOM 399 CD ARG A 24 8.524 -0.870 -13.047 1.00 0.25 C ATOM 400 NE ARG A 24 9.104 0.004 -14.064 1.00 0.35 N ATOM 401 CZ ARG A 24 8.419 0.536 -15.074 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.119 0.306 -15.199 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.029 1.316 -15.955 1.00 0.71 N ATOM 0 H ARG A 24 8.182 -0.376 -9.083 1.00 0.18 H new ATOM 0 HA ARG A 24 10.905 0.312 -9.795 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.191 0.877 -11.063 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.732 1.279 -11.796 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.344 -1.082 -11.928 1.00 0.23 H new ATOM 0 HG3 ARG A 24 8.903 -1.546 -11.044 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.506 -1.896 -13.416 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.490 -0.579 -12.864 1.00 0.25 H new ATOM 0 HE ARG A 24 10.098 0.221 -13.996 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.637 -0.282 -14.519 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.601 0.717 -15.975 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.026 1.510 -15.860 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.502 1.722 -16.728 1.00 0.71 H new ATOM 417 N ALA A 25 8.766 2.481 -8.631 1.00 0.21 N ATOM 418 CA ALA A 25 8.615 3.840 -8.131 1.00 0.23 C ATOM 419 C ALA A 25 9.610 4.080 -7.023 1.00 0.25 C ATOM 420 O ALA A 25 10.323 5.084 -6.997 1.00 0.26 O ATOM 421 CB ALA A 25 7.199 4.071 -7.628 1.00 0.23 C ATOM 0 H ALA A 25 7.971 1.871 -8.441 1.00 0.21 H new ATOM 0 HA ALA A 25 8.804 4.541 -8.944 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.106 5.092 -7.258 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.493 3.915 -8.444 1.00 0.23 H new ATOM 0 HB3 ALA A 25 6.981 3.372 -6.821 1.00 0.23 H new ATOM 427 N LEU A 26 9.662 3.122 -6.127 1.00 0.30 N ATOM 428 CA LEU A 26 10.571 3.166 -5.012 1.00 0.36 C ATOM 429 C LEU A 26 11.930 2.616 -5.415 1.00 0.39 C ATOM 430 O LEU A 26 12.715 3.296 -6.079 1.00 0.52 O ATOM 431 CB LEU A 26 9.975 2.367 -3.861 1.00 0.33 C ATOM 432 CG LEU A 26 8.668 2.925 -3.305 1.00 0.37 C ATOM 433 CD1 LEU A 26 8.027 1.937 -2.344 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.925 4.250 -2.614 1.00 0.47 C ATOM 0 H LEU A 26 9.073 2.290 -6.153 1.00 0.30 H new ATOM 0 HA LEU A 26 10.716 4.198 -4.693 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.803 1.344 -4.197 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.706 2.319 -3.054 1.00 0.33 H new ATOM 0 HG LEU A 26 7.977 3.087 -4.132 1.00 0.37 H new ATOM 0 HD11 LEU A 26 7.097 2.355 -1.959 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.817 1.004 -2.868 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.707 1.742 -1.515 1.00 0.37 H new ATOM 0 HD21 LEU A 26 7.988 4.642 -2.220 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.630 4.103 -1.796 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.343 4.958 -3.329 1.00 0.47 H new ATOM 446 N ASP A 27 12.184 1.375 -5.027 1.00 0.32 N ATOM 447 CA ASP A 27 13.435 0.694 -5.331 1.00 0.41 C ATOM 448 C ASP A 27 13.396 -0.713 -4.758 1.00 0.35 C ATOM 449 O ASP A 27 14.300 -1.143 -4.045 1.00 0.57 O ATOM 450 CB ASP A 27 14.659 1.470 -4.812 1.00 0.60 C ATOM 451 CG ASP A 27 14.559 1.920 -3.363 1.00 0.85 C ATOM 452 OD1 ASP A 27 13.808 2.874 -3.074 1.00 1.72 O ATOM 453 OD2 ASP A 27 15.269 1.345 -2.515 1.00 1.36 O ATOM 0 H ASP A 27 11.526 0.809 -4.490 1.00 0.32 H new ATOM 0 HA ASP A 27 13.540 0.640 -6.415 1.00 0.41 H new ATOM 0 HB2 ASP A 27 15.544 0.843 -4.923 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.809 2.347 -5.441 1.00 0.60 H new ATOM 458 N ILE A 28 12.317 -1.417 -5.079 1.00 0.22 N ATOM 459 CA ILE A 28 12.114 -2.785 -4.621 1.00 0.18 C ATOM 460 C ILE A 28 12.518 -3.764 -5.715 1.00 0.22 C ATOM 461 O ILE A 28 12.193 -3.564 -6.886 1.00 0.28 O ATOM 462 CB ILE A 28 10.639 -3.060 -4.212 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.268 -2.343 -2.908 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.392 -4.549 -4.069 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.164 -0.844 -3.035 1.00 0.19 C ATOM 0 H ILE A 28 11.561 -1.057 -5.662 1.00 0.22 H new ATOM 0 HA ILE A 28 12.738 -2.922 -3.738 1.00 0.18 H new ATOM 0 HB ILE A 28 10.005 -2.666 -5.007 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.315 -2.733 -2.550 1.00 0.14 H new ATOM 0 HG13 ILE A 28 11.014 -2.581 -2.150 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.354 -4.720 -3.782 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.592 -5.044 -5.019 1.00 0.16 H new ATOM 0 HG23 ILE A 28 11.052 -4.955 -3.302 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.898 -0.415 -2.069 1.00 0.19 H new ATOM 0 HD12 ILE A 28 11.122 -0.439 -3.361 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.396 -0.593 -3.767 1.00 0.19 H new ATOM 477 N ALA A 29 13.226 -4.816 -5.335 1.00 0.21 N ATOM 478 CA ALA A 29 13.681 -5.797 -6.306 1.00 0.25 C ATOM 479 C ALA A 29 12.883 -7.087 -6.215 1.00 0.25 C ATOM 480 O ALA A 29 12.360 -7.576 -7.214 1.00 0.30 O ATOM 481 CB ALA A 29 15.167 -6.070 -6.146 1.00 0.30 C ATOM 0 H ALA A 29 13.496 -5.011 -4.371 1.00 0.21 H new ATOM 0 HA ALA A 29 13.515 -5.376 -7.298 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.483 -6.807 -6.884 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.725 -5.145 -6.295 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.361 -6.453 -5.144 1.00 0.30 H new ATOM 487 N ILE A 30 12.779 -7.632 -5.015 1.00 0.23 N ATOM 488 CA ILE A 30 12.083 -8.897 -4.823 1.00 0.25 C ATOM 489 C ILE A 30 11.365 -8.904 -3.481 1.00 0.22 C ATOM 490 O ILE A 30 10.306 -9.502 -3.340 1.00 0.22 O ATOM 491 CB ILE A 30 13.068 -10.097 -4.954 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.335 -11.452 -4.949 1.00 0.32 C ATOM 493 CG2 ILE A 30 14.131 -10.054 -3.862 1.00 0.30 C ATOM 494 CD1 ILE A 30 12.141 -12.067 -3.578 1.00 0.33 C ATOM 0 H ILE A 30 13.164 -7.224 -4.163 1.00 0.23 H new ATOM 0 HA ILE A 30 11.333 -9.007 -5.606 1.00 0.25 H new ATOM 0 HB ILE A 30 13.562 -9.999 -5.921 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.358 -11.322 -5.414 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.893 -12.153 -5.570 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.805 -10.903 -3.977 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.698 -9.127 -3.943 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.651 -10.102 -2.885 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.616 -13.017 -3.676 1.00 0.33 H new ATOM 0 HD12 ILE A 30 13.113 -12.235 -3.114 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.554 -11.391 -2.956 1.00 0.33 H new ATOM 506 N LYS A 31 11.948 -8.221 -2.505 1.00 0.21 N ATOM 507 CA LYS A 31 11.339 -8.037 -1.201 1.00 0.19 C ATOM 508 C LYS A 31 11.555 -6.601 -0.758 1.00 0.17 C ATOM 509 O LYS A 31 10.611 -5.893 -0.405 1.00 0.17 O ATOM 510 CB LYS A 31 11.953 -8.998 -0.173 1.00 0.22 C ATOM 511 CG LYS A 31 11.967 -10.450 -0.623 1.00 0.26 C ATOM 512 CD LYS A 31 12.192 -11.410 0.533 1.00 0.35 C ATOM 513 CE LYS A 31 10.969 -11.499 1.431 1.00 0.47 C ATOM 514 NZ LYS A 31 9.736 -11.813 0.665 1.00 1.46 N ATOM 0 H LYS A 31 12.862 -7.778 -2.599 1.00 0.21 H new ATOM 0 HA LYS A 31 10.272 -8.251 -1.270 1.00 0.19 H new ATOM 0 HB2 LYS A 31 12.975 -8.683 0.040 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.395 -8.922 0.760 1.00 0.22 H new ATOM 0 HG2 LYS A 31 11.021 -10.686 -1.110 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.752 -10.590 -1.367 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.431 -12.400 0.144 1.00 0.35 H new ATOM 0 HD3 LYS A 31 13.051 -11.081 1.118 1.00 0.35 H new ATOM 0 HE2 LYS A 31 11.130 -12.267 2.188 1.00 0.47 H new ATOM 0 HE3 LYS A 31 10.837 -10.554 1.958 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 9.138 -12.459 1.219 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 9.213 -10.935 0.474 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 9.993 -12.266 -0.235 1.00 1.46 H new ATOM 528 N ASP A 32 12.813 -6.182 -0.844 1.00 0.17 N ATOM 529 CA ASP A 32 13.261 -4.863 -0.411 1.00 0.16 C ATOM 530 C ASP A 32 12.532 -4.360 0.838 1.00 0.17 C ATOM 531 O ASP A 32 12.636 -4.985 1.882 1.00 0.25 O ATOM 532 CB ASP A 32 13.188 -3.884 -1.572 1.00 0.16 C ATOM 533 CG ASP A 32 14.520 -3.805 -2.276 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.351 -2.969 -1.881 1.00 1.18 O ATOM 535 OD2 ASP A 32 14.748 -4.604 -3.203 1.00 1.05 O ATOM 0 H ASP A 32 13.563 -6.760 -1.223 1.00 0.17 H new ATOM 0 HA ASP A 32 14.303 -4.949 -0.104 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.416 -4.199 -2.274 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.903 -2.897 -1.207 1.00 0.16 H new ATOM 540 N SER A 33 11.818 -3.235 0.746 1.00 0.13 N ATOM 541 CA SER A 33 11.114 -2.671 1.907 1.00 0.13 C ATOM 542 C SER A 33 10.062 -1.649 1.473 1.00 0.14 C ATOM 543 O SER A 33 10.314 -0.845 0.576 1.00 0.18 O ATOM 544 CB SER A 33 12.099 -1.972 2.857 1.00 0.17 C ATOM 545 OG SER A 33 13.152 -2.834 3.250 1.00 0.21 O ATOM 0 H SER A 33 11.711 -2.697 -0.114 1.00 0.13 H new ATOM 0 HA SER A 33 10.628 -3.502 2.419 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.514 -1.091 2.367 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.566 -1.623 3.741 1.00 0.17 H new ATOM 0 HG SER A 33 12.878 -3.766 3.120 1.00 0.21 H new ATOM 551 N ILE A 34 8.890 -1.683 2.110 1.00 0.13 N ATOM 552 CA ILE A 34 7.857 -0.671 1.882 1.00 0.15 C ATOM 553 C ILE A 34 7.199 -0.298 3.207 1.00 0.13 C ATOM 554 O ILE A 34 6.486 -1.104 3.795 1.00 0.14 O ATOM 555 CB ILE A 34 6.739 -1.134 0.912 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.301 -1.839 -0.322 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.900 0.057 0.487 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.480 -3.326 -0.131 1.00 0.19 C ATOM 0 H ILE A 34 8.633 -2.400 2.788 1.00 0.13 H new ATOM 0 HA ILE A 34 8.366 0.179 1.427 1.00 0.15 H new ATOM 0 HB ILE A 34 6.119 -1.854 1.447 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.634 -1.666 -1.166 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.262 -1.394 -0.579 1.00 0.19 H new ATOM 0 HG21 ILE A 34 5.116 -0.275 -0.194 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.447 0.515 1.366 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.534 0.787 -0.017 1.00 0.28 H new ATOM 0 HD11 ILE A 34 7.882 -3.764 -1.044 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.171 -3.506 0.693 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.517 -3.782 0.097 1.00 0.19 H new ATOM 570 N GLU A 35 7.451 0.911 3.676 1.00 0.14 N ATOM 571 CA GLU A 35 6.874 1.386 4.926 1.00 0.13 C ATOM 572 C GLU A 35 5.741 2.357 4.626 1.00 0.15 C ATOM 573 O GLU A 35 5.864 3.203 3.737 1.00 0.20 O ATOM 574 CB GLU A 35 7.955 2.061 5.777 1.00 0.16 C ATOM 575 CG GLU A 35 7.482 2.489 7.158 1.00 0.28 C ATOM 576 CD GLU A 35 8.609 2.980 8.048 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.158 4.070 7.783 1.00 1.31 O ATOM 578 OE2 GLU A 35 8.930 2.295 9.038 1.00 1.08 O ATOM 0 H GLU A 35 8.055 1.587 3.209 1.00 0.14 H new ATOM 0 HA GLU A 35 6.473 0.542 5.487 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.795 1.375 5.889 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.327 2.936 5.245 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.740 3.280 7.052 1.00 0.28 H new ATOM 0 HG3 GLU A 35 6.985 1.648 7.642 1.00 0.28 H new ATOM 585 N PHE A 36 4.636 2.231 5.351 1.00 0.16 N ATOM 586 CA PHE A 36 3.461 3.038 5.053 1.00 0.17 C ATOM 587 C PHE A 36 3.185 4.092 6.125 1.00 0.18 C ATOM 588 O PHE A 36 3.510 3.925 7.306 1.00 0.19 O ATOM 589 CB PHE A 36 2.213 2.169 4.835 1.00 0.20 C ATOM 590 CG PHE A 36 2.470 0.691 4.811 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.107 0.106 3.729 1.00 1.25 C ATOM 592 CD2 PHE A 36 2.064 -0.112 5.858 1.00 1.16 C ATOM 593 CE1 PHE A 36 3.334 -1.250 3.695 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.287 -1.473 5.827 1.00 1.13 C ATOM 595 CZ PHE A 36 2.924 -2.040 4.744 1.00 0.41 C ATOM 0 H PHE A 36 4.529 1.589 6.136 1.00 0.16 H new ATOM 0 HA PHE A 36 3.687 3.561 4.124 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.494 2.386 5.626 1.00 0.20 H new ATOM 0 HB3 PHE A 36 1.747 2.458 3.893 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.429 0.722 2.902 1.00 1.25 H new ATOM 0 HD2 PHE A 36 1.567 0.329 6.709 1.00 1.16 H new ATOM 0 HE1 PHE A 36 3.833 -1.694 2.846 1.00 1.33 H new ATOM 0 HE2 PHE A 36 1.963 -2.093 6.650 1.00 1.13 H new ATOM 0 HZ PHE A 36 3.101 -3.105 4.719 1.00 0.41 H new ATOM 605 N PHE A 37 2.572 5.176 5.673 1.00 0.21 N ATOM 606 CA PHE A 37 2.221 6.328 6.492 1.00 0.25 C ATOM 607 C PHE A 37 0.742 6.604 6.283 1.00 0.32 C ATOM 608 O PHE A 37 0.311 6.801 5.160 1.00 0.65 O ATOM 609 CB PHE A 37 3.070 7.519 6.012 1.00 0.36 C ATOM 610 CG PHE A 37 2.874 8.822 6.743 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.734 9.584 6.542 1.00 1.41 C ATOM 612 CD2 PHE A 37 3.852 9.302 7.598 1.00 1.71 C ATOM 613 CE1 PHE A 37 1.567 10.793 7.189 1.00 1.87 C ATOM 614 CE2 PHE A 37 3.693 10.513 8.241 1.00 2.22 C ATOM 615 CZ PHE A 37 2.550 11.259 8.037 1.00 2.02 C ATOM 0 H PHE A 37 2.297 5.282 4.697 1.00 0.21 H new ATOM 0 HA PHE A 37 2.411 6.156 7.551 1.00 0.25 H new ATOM 0 HB2 PHE A 37 4.121 7.241 6.087 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.858 7.685 4.956 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.966 9.228 5.871 1.00 1.41 H new ATOM 0 HD2 PHE A 37 4.748 8.723 7.763 1.00 1.71 H new ATOM 0 HE1 PHE A 37 0.669 11.372 7.031 1.00 1.87 H new ATOM 0 HE2 PHE A 37 4.464 10.877 8.904 1.00 2.22 H new ATOM 0 HZ PHE A 37 2.425 12.206 8.541 1.00 2.02 H new ATOM 625 N VAL A 38 -0.045 6.595 7.338 1.00 0.20 N ATOM 626 CA VAL A 38 -1.473 6.804 7.175 1.00 0.18 C ATOM 627 C VAL A 38 -1.835 8.270 7.345 1.00 0.18 C ATOM 628 O VAL A 38 -1.385 8.935 8.280 1.00 0.23 O ATOM 629 CB VAL A 38 -2.312 5.907 8.113 1.00 0.21 C ATOM 630 CG1 VAL A 38 -1.875 6.060 9.564 1.00 0.27 C ATOM 631 CG2 VAL A 38 -3.796 6.216 7.962 1.00 0.23 C ATOM 0 H VAL A 38 0.267 6.449 8.298 1.00 0.20 H new ATOM 0 HA VAL A 38 -1.721 6.509 6.155 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.143 4.870 7.824 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.485 5.416 10.197 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -0.827 5.776 9.660 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.000 7.097 9.874 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.371 5.575 8.630 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -3.978 7.260 8.216 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.103 6.034 6.932 1.00 0.23 H new ATOM 641 N ASP A 39 -2.634 8.764 6.414 1.00 0.17 N ATOM 642 CA ASP A 39 -2.992 10.174 6.364 1.00 0.21 C ATOM 643 C ASP A 39 -4.488 10.332 6.143 1.00 0.23 C ATOM 644 O ASP A 39 -4.989 10.128 5.029 1.00 0.25 O ATOM 645 CB ASP A 39 -2.203 10.883 5.254 1.00 0.25 C ATOM 646 CG ASP A 39 -2.594 12.338 5.074 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.317 13.158 5.976 1.00 1.13 O ATOM 648 OD2 ASP A 39 -3.173 12.672 4.019 1.00 1.16 O ATOM 0 H ASP A 39 -3.052 8.202 5.673 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.736 10.635 7.318 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.139 10.826 5.481 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.357 10.354 4.314 1.00 0.25 H new ATOM 653 N GLY A 40 -5.200 10.654 7.216 1.00 0.26 N ATOM 654 CA GLY A 40 -6.634 10.844 7.139 1.00 0.31 C ATOM 655 C GLY A 40 -7.374 9.531 6.986 1.00 0.27 C ATOM 656 O GLY A 40 -7.783 8.918 7.971 1.00 0.32 O ATOM 0 H GLY A 40 -4.804 10.788 8.146 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -6.981 11.353 8.038 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -6.869 11.493 6.295 1.00 0.31 H new ATOM 660 N ASP A 41 -7.552 9.109 5.744 1.00 0.25 N ATOM 661 CA ASP A 41 -8.188 7.832 5.447 1.00 0.25 C ATOM 662 C ASP A 41 -7.283 6.978 4.576 1.00 0.22 C ATOM 663 O ASP A 41 -7.547 5.804 4.369 1.00 0.30 O ATOM 664 CB ASP A 41 -9.528 8.041 4.726 1.00 0.36 C ATOM 665 CG ASP A 41 -9.381 8.734 3.377 1.00 1.20 C ATOM 666 OD1 ASP A 41 -9.217 9.975 3.358 1.00 2.00 O ATOM 667 OD2 ASP A 41 -9.437 8.051 2.330 1.00 1.84 O ATOM 0 H ASP A 41 -7.263 9.635 4.919 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.368 7.324 6.394 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -10.010 7.074 4.580 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -10.187 8.633 5.361 1.00 0.36 H new ATOM 672 N LYS A 42 -6.197 7.563 4.098 1.00 0.21 N ATOM 673 CA LYS A 42 -5.392 6.929 3.071 1.00 0.24 C ATOM 674 C LYS A 42 -4.062 6.446 3.637 1.00 0.17 C ATOM 675 O LYS A 42 -3.675 6.806 4.748 1.00 0.17 O ATOM 676 CB LYS A 42 -5.147 7.892 1.909 1.00 0.36 C ATOM 677 CG LYS A 42 -3.768 8.518 1.935 1.00 0.31 C ATOM 678 CD LYS A 42 -3.633 9.648 0.931 1.00 0.31 C ATOM 679 CE LYS A 42 -4.724 10.696 1.107 1.00 0.73 C ATOM 680 NZ LYS A 42 -4.737 11.276 2.476 1.00 1.05 N ATOM 0 H LYS A 42 -5.854 8.474 4.405 1.00 0.21 H new ATOM 0 HA LYS A 42 -5.943 6.064 2.703 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.279 7.357 0.968 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.898 8.681 1.935 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.562 8.897 2.936 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.020 7.754 1.723 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.656 10.118 1.043 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -3.678 9.243 -0.080 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -4.579 11.494 0.379 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -5.694 10.246 0.897 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -5.462 12.019 2.531 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -4.953 10.530 3.167 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.805 11.686 2.688 1.00 1.05 H new ATOM 694 N ILE A 43 -3.365 5.658 2.844 1.00 0.16 N ATOM 695 CA ILE A 43 -2.098 5.075 3.247 1.00 0.14 C ATOM 696 C ILE A 43 -1.015 5.488 2.253 1.00 0.15 C ATOM 697 O ILE A 43 -1.267 5.560 1.051 1.00 0.17 O ATOM 698 CB ILE A 43 -2.180 3.535 3.298 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.334 3.070 4.197 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.865 2.946 3.785 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.076 3.247 5.682 1.00 0.15 C ATOM 0 H ILE A 43 -3.660 5.403 1.901 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.856 5.439 4.246 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.372 3.178 2.286 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.235 3.622 3.928 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.534 2.017 3.997 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -0.942 1.859 3.814 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.063 3.235 3.105 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.646 3.321 4.785 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.940 2.894 6.246 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.196 2.672 5.969 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.907 4.302 5.899 1.00 0.15 H new ATOM 713 N ILE A 44 0.175 5.760 2.755 1.00 0.14 N ATOM 714 CA ILE A 44 1.263 6.271 1.936 1.00 0.16 C ATOM 715 C ILE A 44 2.467 5.340 2.012 1.00 0.16 C ATOM 716 O ILE A 44 3.102 5.222 3.054 1.00 0.22 O ATOM 717 CB ILE A 44 1.671 7.680 2.409 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.436 8.583 2.484 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.720 8.276 1.483 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.673 9.877 3.228 1.00 0.27 C ATOM 0 H ILE A 44 0.416 5.634 3.738 1.00 0.14 H new ATOM 0 HA ILE A 44 0.919 6.325 0.903 1.00 0.16 H new ATOM 0 HB ILE A 44 2.109 7.603 3.404 1.00 0.20 H new ATOM 0 HG12 ILE A 44 0.103 8.812 1.472 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.373 8.038 2.970 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.994 9.271 1.835 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.604 7.638 1.476 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.316 8.347 0.473 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.246 10.463 3.240 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.977 9.658 4.252 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.459 10.444 2.730 1.00 0.27 H new ATOM 732 N LEU A 45 2.774 4.683 0.911 1.00 0.15 N ATOM 733 CA LEU A 45 3.832 3.679 0.888 1.00 0.17 C ATOM 734 C LEU A 45 5.119 4.227 0.286 1.00 0.20 C ATOM 735 O LEU A 45 5.096 4.858 -0.773 1.00 0.26 O ATOM 736 CB LEU A 45 3.391 2.445 0.093 1.00 0.21 C ATOM 737 CG LEU A 45 2.497 1.454 0.843 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.154 2.073 1.186 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.302 0.186 0.024 1.00 0.32 C ATOM 0 H LEU A 45 2.307 4.823 0.015 1.00 0.15 H new ATOM 0 HA LEU A 45 4.026 3.399 1.923 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.861 2.781 -0.798 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.282 1.917 -0.246 1.00 0.21 H new ATOM 0 HG LEU A 45 2.996 1.196 1.777 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.543 1.344 1.718 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.307 2.948 1.818 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.646 2.372 0.269 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.664 -0.507 0.573 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.832 0.436 -0.927 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.270 -0.280 -0.161 1.00 0.32 H new ATOM 751 N LYS A 46 6.239 3.989 0.967 1.00 0.19 N ATOM 752 CA LYS A 46 7.547 4.310 0.415 1.00 0.30 C ATOM 753 C LYS A 46 8.634 3.432 1.031 1.00 0.22 C ATOM 754 O LYS A 46 8.469 2.886 2.121 1.00 0.30 O ATOM 755 CB LYS A 46 7.888 5.793 0.598 1.00 0.52 C ATOM 756 CG LYS A 46 8.040 6.226 2.042 1.00 0.86 C ATOM 757 CD LYS A 46 8.556 7.656 2.150 1.00 1.04 C ATOM 758 CE LYS A 46 9.882 7.832 1.418 1.00 1.30 C ATOM 759 NZ LYS A 46 9.701 8.270 0.005 1.00 2.16 N ATOM 0 H LYS A 46 6.263 3.576 1.899 1.00 0.19 H new ATOM 0 HA LYS A 46 7.505 4.106 -0.655 1.00 0.30 H new ATOM 0 HB2 LYS A 46 8.815 6.008 0.067 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.107 6.393 0.132 1.00 0.52 H new ATOM 0 HG2 LYS A 46 7.078 6.147 2.549 1.00 0.86 H new ATOM 0 HG3 LYS A 46 8.727 5.552 2.554 1.00 0.86 H new ATOM 0 HD2 LYS A 46 7.817 8.342 1.736 1.00 1.04 H new ATOM 0 HD3 LYS A 46 8.682 7.919 3.200 1.00 1.04 H new ATOM 0 HE2 LYS A 46 10.491 8.565 1.947 1.00 1.30 H new ATOM 0 HE3 LYS A 46 10.431 6.890 1.436 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 10.086 7.546 -0.635 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 8.688 8.402 -0.191 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 10.203 9.168 -0.147 1.00 2.16 H new ATOM 773 N LYS A 47 9.738 3.296 0.309 1.00 0.27 N ATOM 774 CA LYS A 47 10.856 2.451 0.726 1.00 0.28 C ATOM 775 C LYS A 47 11.465 2.976 2.030 1.00 0.25 C ATOM 776 O LYS A 47 11.377 4.169 2.328 1.00 0.32 O ATOM 777 CB LYS A 47 11.915 2.420 -0.392 1.00 0.37 C ATOM 778 CG LYS A 47 12.606 1.070 -0.597 1.00 0.41 C ATOM 779 CD LYS A 47 13.578 0.733 0.523 1.00 0.36 C ATOM 780 CE LYS A 47 14.253 -0.612 0.293 1.00 0.52 C ATOM 781 NZ LYS A 47 15.240 -0.577 -0.821 1.00 0.39 N ATOM 0 H LYS A 47 9.887 3.767 -0.583 1.00 0.27 H new ATOM 0 HA LYS A 47 10.496 1.438 0.906 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.440 2.713 -1.328 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.675 3.170 -0.172 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.851 0.287 -0.666 1.00 0.41 H new ATOM 0 HG3 LYS A 47 13.141 1.081 -1.546 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.336 1.513 0.595 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.046 0.716 1.474 1.00 0.36 H new ATOM 0 HE2 LYS A 47 14.756 -0.923 1.209 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.493 -1.363 0.076 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.057 -1.367 -1.472 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 15.152 0.323 -1.335 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 16.202 -0.662 -0.435 1.00 0.39 H new ATOM 795 N TYR A 48 12.077 2.083 2.800 1.00 0.22 N ATOM 796 CA TYR A 48 12.622 2.435 4.106 1.00 0.22 C ATOM 797 C TYR A 48 13.865 3.310 3.969 1.00 0.27 C ATOM 798 O TYR A 48 13.959 4.366 4.596 1.00 0.32 O ATOM 799 CB TYR A 48 12.967 1.161 4.876 1.00 0.23 C ATOM 800 CG TYR A 48 13.338 1.401 6.321 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.356 1.654 7.272 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.663 1.376 6.734 1.00 1.16 C ATOM 803 CE1 TYR A 48 12.686 1.878 8.595 1.00 1.17 C ATOM 804 CE2 TYR A 48 15.000 1.599 8.054 1.00 1.25 C ATOM 805 CZ TYR A 48 14.008 1.848 8.981 1.00 0.58 C ATOM 806 OH TYR A 48 14.341 2.075 10.298 1.00 0.74 O ATOM 0 H TYR A 48 12.208 1.105 2.541 1.00 0.22 H new ATOM 0 HA TYR A 48 11.868 3.003 4.651 1.00 0.22 H new ATOM 0 HB2 TYR A 48 12.115 0.483 4.838 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.796 0.659 4.377 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.319 1.676 6.972 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.442 1.179 6.012 1.00 1.16 H new ATOM 0 HE1 TYR A 48 11.912 2.075 9.322 1.00 1.17 H new ATOM 0 HE2 TYR A 48 16.036 1.579 8.360 1.00 1.25 H new ATOM 0 HH TYR A 48 15.314 2.018 10.404 1.00 0.74 H new ATOM 816 N LYS A 49 14.811 2.845 3.149 1.00 0.33 N ATOM 817 CA LYS A 49 16.087 3.537 2.924 1.00 0.49 C ATOM 818 C LYS A 49 15.912 5.045 2.672 1.00 0.57 C ATOM 819 O LYS A 49 16.460 5.854 3.423 1.00 0.64 O ATOM 820 CB LYS A 49 16.851 2.891 1.762 1.00 0.63 C ATOM 821 CG LYS A 49 18.201 3.535 1.488 1.00 0.91 C ATOM 822 CD LYS A 49 18.886 2.922 0.275 1.00 2.03 C ATOM 823 CE LYS A 49 19.302 1.480 0.526 1.00 2.39 C ATOM 824 NZ LYS A 49 20.235 1.364 1.677 1.00 2.86 N ATOM 0 H LYS A 49 14.716 1.978 2.621 1.00 0.33 H new ATOM 0 HA LYS A 49 16.665 3.432 3.842 1.00 0.49 H new ATOM 0 HB2 LYS A 49 17.000 1.833 1.979 1.00 0.63 H new ATOM 0 HB3 LYS A 49 16.241 2.948 0.861 1.00 0.63 H new ATOM 0 HG2 LYS A 49 18.067 4.605 1.327 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.842 3.422 2.363 1.00 0.91 H new ATOM 0 HD2 LYS A 49 18.212 2.962 -0.581 1.00 2.03 H new ATOM 0 HD3 LYS A 49 19.764 3.513 0.017 1.00 2.03 H new ATOM 0 HE2 LYS A 49 18.416 0.874 0.715 1.00 2.39 H new ATOM 0 HE3 LYS A 49 19.778 1.079 -0.369 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 20.715 0.442 1.643 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.942 2.125 1.629 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 19.701 1.444 2.566 1.00 2.86 H new ATOM 838 N PRO A 50 15.167 5.458 1.621 1.00 0.64 N ATOM 839 CA PRO A 50 14.927 6.877 1.358 1.00 0.86 C ATOM 840 C PRO A 50 14.026 7.488 2.424 1.00 0.91 C ATOM 841 O PRO A 50 12.829 7.192 2.485 1.00 1.81 O ATOM 842 CB PRO A 50 14.232 6.898 -0.012 1.00 1.03 C ATOM 843 CG PRO A 50 14.413 5.527 -0.569 1.00 0.79 C ATOM 844 CD PRO A 50 14.508 4.613 0.614 1.00 0.59 C ATOM 0 HA PRO A 50 15.849 7.459 1.371 1.00 0.86 H new ATOM 0 HB2 PRO A 50 13.175 7.145 0.087 1.00 1.03 H new ATOM 0 HB3 PRO A 50 14.675 7.649 -0.666 1.00 1.03 H new ATOM 0 HG2 PRO A 50 13.575 5.252 -1.209 1.00 0.79 H new ATOM 0 HG3 PRO A 50 15.313 5.469 -1.180 1.00 0.79 H new ATOM 0 HD2 PRO A 50 13.526 4.277 0.947 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.091 3.720 0.390 1.00 0.59 H new ATOM 852 N HIS A 51 14.595 8.332 3.271 1.00 0.98 N ATOM 853 CA HIS A 51 13.846 8.881 4.385 1.00 1.17 C ATOM 854 C HIS A 51 13.058 10.107 3.951 1.00 1.76 C ATOM 855 O HIS A 51 13.591 11.214 3.880 1.00 2.56 O ATOM 856 CB HIS A 51 14.759 9.227 5.564 1.00 2.12 C ATOM 857 CG HIS A 51 14.006 9.479 6.839 1.00 2.93 C ATOM 858 ND1 HIS A 51 13.796 10.737 7.359 1.00 3.83 N ATOM 859 CD2 HIS A 51 13.400 8.617 7.692 1.00 3.56 C ATOM 860 CE1 HIS A 51 13.096 10.641 8.475 1.00 4.69 C ATOM 861 NE2 HIS A 51 12.840 9.366 8.697 1.00 4.56 N ATOM 0 H HIS A 51 15.563 8.648 3.208 1.00 0.98 H new ATOM 0 HA HIS A 51 13.148 8.113 4.718 1.00 1.17 H new ATOM 0 HB2 HIS A 51 15.464 8.411 5.721 1.00 2.12 H new ATOM 0 HB3 HIS A 51 15.345 10.111 5.314 1.00 2.12 H new ATOM 0 HD2 HIS A 51 13.364 7.542 7.598 1.00 3.56 H new ATOM 0 HE1 HIS A 51 12.786 11.466 9.099 1.00 4.69 H new ATOM 0 HE2 HIS A 51 12.312 8.997 9.487 1.00 4.56 H new ATOM 870 N GLY A 52 11.798 9.886 3.616 1.00 2.14 N ATOM 871 CA GLY A 52 10.903 10.984 3.327 1.00 3.14 C ATOM 872 C GLY A 52 10.171 11.423 4.574 1.00 2.89 C ATOM 873 O GLY A 52 10.667 11.219 5.684 1.00 3.06 O ATOM 0 H GLY A 52 11.377 8.960 3.539 1.00 2.14 H new ATOM 0 HA2 GLY A 52 11.468 11.822 2.918 1.00 3.14 H new ATOM 0 HA3 GLY A 52 10.184 10.682 2.565 1.00 3.14 H new ATOM 877 N VAL A 53 8.992 12.002 4.406 1.00 2.85 N ATOM 878 CA VAL A 53 8.205 12.452 5.544 1.00 2.75 C ATOM 879 C VAL A 53 7.821 11.270 6.438 1.00 2.07 C ATOM 880 O VAL A 53 7.456 10.196 5.950 1.00 1.96 O ATOM 881 CB VAL A 53 6.936 13.221 5.105 1.00 3.40 C ATOM 882 CG1 VAL A 53 5.974 12.323 4.338 1.00 3.54 C ATOM 883 CG2 VAL A 53 6.257 13.847 6.313 1.00 3.58 C ATOM 0 H VAL A 53 8.561 12.171 3.497 1.00 2.85 H new ATOM 0 HA VAL A 53 8.830 13.141 6.112 1.00 2.75 H new ATOM 0 HB VAL A 53 7.241 14.018 4.427 1.00 3.40 H new ATOM 0 HG11 VAL A 53 5.095 12.897 4.046 1.00 3.54 H new ATOM 0 HG12 VAL A 53 6.468 11.938 3.446 1.00 3.54 H new ATOM 0 HG13 VAL A 53 5.669 11.490 4.972 1.00 3.54 H new ATOM 0 HG21 VAL A 53 5.366 14.385 5.991 1.00 3.58 H new ATOM 0 HG22 VAL A 53 5.974 13.065 7.017 1.00 3.58 H new ATOM 0 HG23 VAL A 53 6.944 14.540 6.798 1.00 3.58 H new ATOM 893 N CYS A 54 7.934 11.475 7.743 1.00 1.91 N ATOM 894 CA CYS A 54 7.681 10.428 8.724 1.00 1.51 C ATOM 895 C CYS A 54 7.222 11.056 10.036 1.00 2.04 C ATOM 896 O CYS A 54 6.008 11.037 10.320 1.00 2.71 O ATOM 897 CB CYS A 54 8.943 9.591 8.973 1.00 1.90 C ATOM 898 SG CYS A 54 9.664 8.833 7.492 1.00 2.87 S ATOM 899 OXT CYS A 54 8.080 11.599 10.767 1.00 2.46 O ATOM 0 H CYS A 54 8.203 12.370 8.151 1.00 1.91 H new ATOM 0 HA CYS A 54 6.903 9.773 8.333 1.00 1.51 H new ATOM 0 HB2 CYS A 54 9.695 10.226 9.441 1.00 1.90 H new ATOM 0 HB3 CYS A 54 8.703 8.803 9.686 1.00 1.90 H new ATOM 0 HG CYS A 54 10.118 9.763 6.706 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 10.260 4.194 10.498 1.00 2.43 N ATOM 907 CA MET B 1 9.154 4.500 11.433 1.00 1.54 C ATOM 908 C MET B 1 8.299 5.640 10.893 1.00 1.28 C ATOM 909 O MET B 1 8.821 6.645 10.418 1.00 1.95 O ATOM 910 CB MET B 1 9.705 4.860 12.817 1.00 1.98 C ATOM 911 CG MET B 1 8.622 5.193 13.834 1.00 2.66 C ATOM 912 SD MET B 1 9.277 5.505 15.486 1.00 3.87 S ATOM 913 CE MET B 1 9.993 3.909 15.875 1.00 4.74 C ATOM 0 H1 MET B 1 10.081 3.279 10.036 1.00 2.43 H new ATOM 0 H2 MET B 1 10.321 4.940 9.776 1.00 2.43 H new ATOM 0 H3 MET B 1 11.156 4.147 11.024 1.00 2.43 H new ATOM 0 HA MET B 1 8.530 3.612 11.528 1.00 1.54 H new ATOM 0 HB2 MET B 1 10.299 4.026 13.191 1.00 1.98 H new ATOM 0 HB3 MET B 1 10.377 5.713 12.721 1.00 1.98 H new ATOM 0 HG2 MET B 1 8.071 6.071 13.496 1.00 2.66 H new ATOM 0 HG3 MET B 1 7.910 4.369 13.881 1.00 2.66 H new ATOM 0 HE1 MET B 1 10.083 3.804 16.956 1.00 4.74 H new ATOM 0 HE2 MET B 1 9.352 3.118 15.486 1.00 4.74 H new ATOM 0 HE3 MET B 1 10.981 3.833 15.420 1.00 4.74 H new ATOM 925 N LYS B 2 6.983 5.469 10.968 1.00 0.96 N ATOM 926 CA LYS B 2 6.036 6.445 10.442 1.00 0.62 C ATOM 927 C LYS B 2 4.786 6.482 11.302 1.00 0.56 C ATOM 928 O LYS B 2 4.787 5.997 12.434 1.00 0.73 O ATOM 929 CB LYS B 2 5.617 6.079 9.015 1.00 0.60 C ATOM 930 CG LYS B 2 6.768 5.974 8.048 1.00 0.66 C ATOM 931 CD LYS B 2 6.325 6.248 6.623 1.00 0.87 C ATOM 932 CE LYS B 2 7.334 5.722 5.621 1.00 1.74 C ATOM 933 NZ LYS B 2 8.732 6.033 6.026 1.00 2.31 N ATOM 0 H LYS B 2 6.544 4.653 11.394 1.00 0.96 H new ATOM 0 HA LYS B 2 6.528 7.417 10.447 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.085 5.128 9.036 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.915 6.829 8.649 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.547 6.682 8.330 1.00 0.66 H new ATOM 0 HG3 LYS B 2 7.206 4.978 8.109 1.00 0.66 H new ATOM 0 HD2 LYS B 2 5.356 5.782 6.445 1.00 0.87 H new ATOM 0 HD3 LYS B 2 6.193 7.321 6.481 1.00 0.87 H new ATOM 0 HE2 LYS B 2 7.217 4.643 5.520 1.00 1.74 H new ATOM 0 HE3 LYS B 2 7.134 6.157 4.642 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 9.331 6.107 5.179 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 8.751 6.935 6.543 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 9.093 5.274 6.639 1.00 2.31 H new ATOM 947 N SER B 3 3.723 7.043 10.736 1.00 0.42 N ATOM 948 CA SER B 3 2.407 7.024 11.353 1.00 0.40 C ATOM 949 C SER B 3 2.022 5.601 11.733 1.00 0.37 C ATOM 950 O SER B 3 1.633 5.328 12.870 1.00 0.50 O ATOM 951 CB SER B 3 1.388 7.604 10.378 1.00 0.39 C ATOM 952 OG SER B 3 1.717 8.938 10.045 1.00 1.00 O ATOM 0 H SER B 3 3.752 7.523 9.837 1.00 0.42 H new ATOM 0 HA SER B 3 2.425 7.627 12.261 1.00 0.40 H new ATOM 0 HB2 SER B 3 1.355 6.996 9.474 1.00 0.39 H new ATOM 0 HB3 SER B 3 0.393 7.570 10.821 1.00 0.39 H new ATOM 0 HG SER B 3 2.373 8.941 9.317 1.00 1.00 H new ATOM 958 N ILE B 4 2.152 4.690 10.778 1.00 0.27 N ATOM 959 CA ILE B 4 1.944 3.284 11.060 1.00 0.24 C ATOM 960 C ILE B 4 3.240 2.724 11.610 1.00 0.26 C ATOM 961 O ILE B 4 3.254 1.963 12.576 1.00 0.32 O ATOM 962 CB ILE B 4 1.541 2.483 9.804 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.686 3.345 8.870 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.788 1.224 10.215 1.00 0.23 C ATOM 965 CD1 ILE B 4 0.086 2.585 7.706 1.00 0.23 C ATOM 0 H ILE B 4 2.398 4.901 9.811 1.00 0.27 H new ATOM 0 HA ILE B 4 1.127 3.193 11.775 1.00 0.24 H new ATOM 0 HB ILE B 4 2.442 2.192 9.264 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.119 3.799 9.448 1.00 0.27 H new ATOM 0 HG13 ILE B 4 1.298 4.159 8.482 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.506 0.662 9.325 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.428 0.607 10.846 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.109 1.501 10.769 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.505 3.266 7.093 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.885 2.153 7.103 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.555 1.788 8.083 1.00 0.23 H new ATOM 977 N GLY B 5 4.331 3.142 10.983 1.00 0.27 N ATOM 978 CA GLY B 5 5.650 2.774 11.440 1.00 0.32 C ATOM 979 C GLY B 5 5.970 1.330 11.152 1.00 0.31 C ATOM 980 O GLY B 5 6.764 0.710 11.855 1.00 0.43 O ATOM 0 H GLY B 5 4.321 3.737 10.155 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.391 3.412 10.958 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.724 2.954 12.512 1.00 0.32 H new ATOM 984 N VAL B 6 5.346 0.794 10.119 1.00 0.20 N ATOM 985 CA VAL B 6 5.580 -0.586 9.738 1.00 0.16 C ATOM 986 C VAL B 6 6.076 -0.661 8.307 1.00 0.12 C ATOM 987 O VAL B 6 5.518 -0.030 7.402 1.00 0.13 O ATOM 988 CB VAL B 6 4.322 -1.474 9.909 1.00 0.19 C ATOM 989 CG1 VAL B 6 3.934 -1.582 11.376 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.155 -0.945 9.093 1.00 0.22 C ATOM 0 H VAL B 6 4.676 1.291 9.531 1.00 0.20 H new ATOM 0 HA VAL B 6 6.343 -0.974 10.412 1.00 0.16 H new ATOM 0 HB VAL B 6 4.569 -2.469 9.538 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.048 -2.210 11.473 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.756 -2.025 11.938 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.719 -0.589 11.770 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.289 -1.591 9.236 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.911 0.066 9.420 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.426 -0.930 8.037 1.00 0.22 H new ATOM 1000 N VAL B 7 7.138 -1.419 8.117 1.00 0.12 N ATOM 1001 CA VAL B 7 7.701 -1.627 6.801 1.00 0.12 C ATOM 1002 C VAL B 7 7.480 -3.071 6.382 1.00 0.12 C ATOM 1003 O VAL B 7 7.551 -3.992 7.202 1.00 0.15 O ATOM 1004 CB VAL B 7 9.209 -1.271 6.756 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.030 -2.190 7.647 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.725 -1.303 5.329 1.00 0.15 C ATOM 0 H VAL B 7 7.631 -1.904 8.866 1.00 0.12 H new ATOM 0 HA VAL B 7 7.195 -0.961 6.102 1.00 0.12 H new ATOM 0 HB VAL B 7 9.319 -0.257 7.142 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.082 -1.909 7.589 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.687 -2.099 8.678 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.911 -3.221 7.314 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.785 -1.050 5.320 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.586 -2.301 4.914 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.174 -0.580 4.727 1.00 0.15 H new ATOM 1016 N ARG B 8 7.177 -3.270 5.119 1.00 0.12 N ATOM 1017 CA ARG B 8 6.858 -4.588 4.619 1.00 0.13 C ATOM 1018 C ARG B 8 7.909 -5.046 3.640 1.00 0.13 C ATOM 1019 O ARG B 8 8.683 -4.244 3.120 1.00 0.16 O ATOM 1020 CB ARG B 8 5.488 -4.595 3.943 1.00 0.15 C ATOM 1021 CG ARG B 8 4.428 -5.374 4.690 1.00 0.30 C ATOM 1022 CD ARG B 8 4.041 -4.688 5.990 1.00 0.18 C ATOM 1023 NE ARG B 8 4.961 -4.967 7.089 1.00 0.55 N ATOM 1024 CZ ARG B 8 4.565 -5.352 8.301 1.00 0.50 C ATOM 1025 NH1 ARG B 8 3.274 -5.534 8.552 1.00 0.55 N ATOM 1026 NH2 ARG B 8 5.461 -5.543 9.259 1.00 1.09 N ATOM 0 H ARG B 8 7.145 -2.532 4.416 1.00 0.12 H new ATOM 0 HA ARG B 8 6.834 -5.273 5.466 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.149 -3.566 3.824 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.592 -5.014 2.942 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.546 -5.485 4.060 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.796 -6.378 4.903 1.00 0.30 H new ATOM 0 HD2 ARG B 8 3.999 -3.611 5.826 1.00 0.18 H new ATOM 0 HD3 ARG B 8 3.038 -5.006 6.276 1.00 0.18 H new ATOM 0 HE ARG B 8 5.961 -4.861 6.919 1.00 0.55 H new ATOM 0 HH11 ARG B 8 2.585 -5.379 7.816 1.00 0.55 H new ATOM 0 HH12 ARG B 8 2.972 -5.829 9.480 1.00 0.55 H new ATOM 0 HH21 ARG B 8 6.452 -5.395 9.067 1.00 1.09 H new ATOM 0 HH22 ARG B 8 5.160 -5.838 10.188 1.00 1.09 H new ATOM 1040 N LYS B 9 7.929 -6.336 3.399 1.00 0.13 N ATOM 1041 CA LYS B 9 8.846 -6.918 2.449 1.00 0.14 C ATOM 1042 C LYS B 9 8.042 -7.567 1.343 1.00 0.17 C ATOM 1043 O LYS B 9 7.199 -8.423 1.614 1.00 0.21 O ATOM 1044 CB LYS B 9 9.744 -7.951 3.139 1.00 0.19 C ATOM 1045 CG LYS B 9 10.452 -7.415 4.379 1.00 0.54 C ATOM 1046 CD LYS B 9 11.254 -6.161 4.066 1.00 0.26 C ATOM 1047 CE LYS B 9 12.042 -5.665 5.266 1.00 0.79 C ATOM 1048 NZ LYS B 9 13.079 -6.640 5.691 1.00 1.16 N ATOM 0 H LYS B 9 7.312 -7.009 3.854 1.00 0.13 H new ATOM 0 HA LYS B 9 9.489 -6.144 2.031 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.141 -8.814 3.420 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.491 -8.303 2.428 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.716 -7.194 5.152 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.115 -8.181 4.780 1.00 0.54 H new ATOM 0 HD2 LYS B 9 11.940 -6.367 3.244 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.578 -5.375 3.728 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.516 -4.715 5.021 1.00 0.79 H new ATOM 0 HE3 LYS B 9 11.360 -5.476 6.095 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 13.732 -6.183 6.359 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 12.623 -7.452 6.154 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 13.609 -6.969 4.858 1.00 1.16 H new ATOM 1062 N VAL B 10 8.268 -7.128 0.115 1.00 0.16 N ATOM 1063 CA VAL B 10 7.599 -7.714 -1.029 1.00 0.18 C ATOM 1064 C VAL B 10 7.854 -9.213 -1.055 1.00 0.20 C ATOM 1065 O VAL B 10 8.956 -9.663 -0.771 1.00 0.25 O ATOM 1066 CB VAL B 10 8.050 -7.046 -2.358 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.791 -7.946 -3.553 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.334 -5.719 -2.548 1.00 0.16 C ATOM 0 H VAL B 10 8.910 -6.368 -0.112 1.00 0.16 H new ATOM 0 HA VAL B 10 6.528 -7.537 -0.933 1.00 0.18 H new ATOM 0 HB VAL B 10 9.124 -6.874 -2.292 1.00 0.18 H new ATOM 0 HG11 VAL B 10 8.119 -7.445 -4.464 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.343 -8.878 -3.433 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.725 -8.162 -3.622 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.658 -5.261 -3.482 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.258 -5.888 -2.581 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.572 -5.055 -1.717 1.00 0.16 H new ATOM 1078 N ASP B 11 6.808 -9.973 -1.316 1.00 0.18 N ATOM 1079 CA ASP B 11 6.902 -11.424 -1.400 1.00 0.20 C ATOM 1080 C ASP B 11 7.988 -11.807 -2.396 1.00 0.23 C ATOM 1081 O ASP B 11 9.108 -12.135 -2.011 1.00 0.26 O ATOM 1082 CB ASP B 11 5.550 -11.999 -1.829 1.00 0.23 C ATOM 1083 CG ASP B 11 5.552 -13.505 -1.929 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.851 -14.028 -3.022 1.00 1.14 O ATOM 1085 OD2 ASP B 11 5.228 -14.171 -0.929 1.00 1.22 O ATOM 0 H ASP B 11 5.870 -9.607 -1.476 1.00 0.18 H new ATOM 0 HA ASP B 11 7.163 -11.835 -0.425 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.787 -11.689 -1.115 1.00 0.23 H new ATOM 0 HB3 ASP B 11 5.272 -11.577 -2.795 1.00 0.23 H new ATOM 1090 N GLU B 12 7.638 -11.733 -3.670 1.00 0.24 N ATOM 1091 CA GLU B 12 8.584 -11.894 -4.771 1.00 0.28 C ATOM 1092 C GLU B 12 8.038 -11.161 -5.978 1.00 0.27 C ATOM 1093 O GLU B 12 8.775 -10.599 -6.785 1.00 0.34 O ATOM 1094 CB GLU B 12 8.801 -13.372 -5.128 1.00 0.35 C ATOM 1095 CG GLU B 12 9.417 -14.194 -4.011 1.00 0.40 C ATOM 1096 CD GLU B 12 9.707 -15.624 -4.417 1.00 0.48 C ATOM 1097 OE1 GLU B 12 10.699 -15.851 -5.146 1.00 1.22 O ATOM 1098 OE2 GLU B 12 8.955 -16.532 -4.009 1.00 1.17 O ATOM 0 H GLU B 12 6.681 -11.558 -3.976 1.00 0.24 H new ATOM 0 HA GLU B 12 9.547 -11.485 -4.465 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.843 -13.813 -5.403 1.00 0.35 H new ATOM 0 HB3 GLU B 12 9.444 -13.432 -6.006 1.00 0.35 H new ATOM 0 HG2 GLU B 12 10.343 -13.720 -3.687 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.743 -14.195 -3.154 1.00 0.40 H new ATOM 1105 N LEU B 13 6.722 -11.191 -6.077 1.00 0.26 N ATOM 1106 CA LEU B 13 5.989 -10.509 -7.127 1.00 0.26 C ATOM 1107 C LEU B 13 5.831 -9.034 -6.789 1.00 0.25 C ATOM 1108 O LEU B 13 6.114 -8.153 -7.598 1.00 0.39 O ATOM 1109 CB LEU B 13 4.603 -11.136 -7.230 1.00 0.32 C ATOM 1110 CG LEU B 13 4.558 -12.662 -7.258 1.00 0.32 C ATOM 1111 CD1 LEU B 13 3.115 -13.134 -7.189 1.00 0.90 C ATOM 1112 CD2 LEU B 13 5.246 -13.207 -8.499 1.00 0.79 C ATOM 0 H LEU B 13 6.125 -11.696 -5.422 1.00 0.26 H new ATOM 0 HA LEU B 13 6.532 -10.603 -8.067 1.00 0.26 H new ATOM 0 HB2 LEU B 13 4.006 -10.790 -6.386 1.00 0.32 H new ATOM 0 HB3 LEU B 13 4.123 -10.762 -8.134 1.00 0.32 H new ATOM 0 HG LEU B 13 5.097 -13.043 -6.390 1.00 0.32 H new ATOM 0 HD11 LEU B 13 3.087 -14.223 -7.209 1.00 0.90 H new ATOM 0 HD12 LEU B 13 2.659 -12.776 -6.266 1.00 0.90 H new ATOM 0 HD13 LEU B 13 2.562 -12.741 -8.042 1.00 0.90 H new ATOM 0 HD21 LEU B 13 5.199 -14.296 -8.493 1.00 0.79 H new ATOM 0 HD22 LEU B 13 4.745 -12.827 -9.389 1.00 0.79 H new ATOM 0 HD23 LEU B 13 6.289 -12.889 -8.506 1.00 0.79 H new ATOM 1124 N GLY B 14 5.384 -8.791 -5.568 1.00 0.15 N ATOM 1125 CA GLY B 14 5.061 -7.450 -5.127 1.00 0.13 C ATOM 1126 C GLY B 14 3.998 -7.482 -4.053 1.00 0.11 C ATOM 1127 O GLY B 14 3.656 -6.459 -3.470 1.00 0.12 O ATOM 0 H GLY B 14 5.237 -9.513 -4.862 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.957 -6.962 -4.744 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.712 -6.858 -5.973 1.00 0.13 H new ATOM 1131 N ARG B 15 3.467 -8.675 -3.802 1.00 0.11 N ATOM 1132 CA ARG B 15 2.485 -8.879 -2.745 1.00 0.11 C ATOM 1133 C ARG B 15 3.100 -8.578 -1.380 1.00 0.09 C ATOM 1134 O ARG B 15 4.188 -9.059 -1.075 1.00 0.12 O ATOM 1135 CB ARG B 15 1.983 -10.332 -2.749 1.00 0.14 C ATOM 1136 CG ARG B 15 1.368 -10.794 -4.063 1.00 0.17 C ATOM 1137 CD ARG B 15 0.503 -12.035 -3.866 1.00 0.29 C ATOM 1138 NE ARG B 15 1.267 -13.162 -3.326 1.00 1.30 N ATOM 1139 CZ ARG B 15 0.744 -14.142 -2.584 1.00 1.93 C ATOM 1140 NH1 ARG B 15 -0.560 -14.184 -2.342 1.00 1.94 N ATOM 1141 NH2 ARG B 15 1.528 -15.099 -2.107 1.00 2.91 N ATOM 0 H ARG B 15 3.704 -9.520 -4.321 1.00 0.11 H new ATOM 0 HA ARG B 15 1.650 -8.203 -2.930 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.817 -10.990 -2.504 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.242 -10.447 -1.958 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.764 -9.991 -4.486 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.159 -11.010 -4.781 1.00 0.17 H new ATOM 0 HD2 ARG B 15 -0.319 -11.799 -3.191 1.00 0.29 H new ATOM 0 HD3 ARG B 15 0.060 -12.322 -4.820 1.00 0.29 H new ATOM 0 HE ARG B 15 2.266 -13.201 -3.530 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -1.173 -13.464 -2.724 1.00 1.94 H new ATOM 0 HH12 ARG B 15 -0.949 -14.937 -1.774 1.00 1.94 H new ATOM 0 HH21 ARG B 15 2.528 -15.086 -2.307 1.00 2.91 H new ATOM 0 HH22 ARG B 15 1.131 -15.848 -1.540 1.00 2.91 H new ATOM 1155 N ILE B 16 2.411 -7.780 -0.571 1.00 0.09 N ATOM 1156 CA ILE B 16 2.845 -7.511 0.800 1.00 0.09 C ATOM 1157 C ILE B 16 1.620 -7.524 1.715 1.00 0.09 C ATOM 1158 O ILE B 16 0.498 -7.724 1.247 1.00 0.11 O ATOM 1159 CB ILE B 16 3.612 -6.157 0.943 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.652 -4.995 1.228 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.445 -5.865 -0.299 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.308 -3.629 1.175 1.00 0.14 C ATOM 0 H ILE B 16 1.548 -7.307 -0.839 1.00 0.09 H new ATOM 0 HA ILE B 16 3.549 -8.293 1.087 1.00 0.09 H new ATOM 0 HB ILE B 16 4.285 -6.255 1.795 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.837 -5.024 0.505 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.209 -5.136 2.214 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.968 -4.917 -0.172 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.172 -6.664 -0.445 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.792 -5.805 -1.169 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.565 -2.860 1.387 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.104 -3.579 1.918 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.727 -3.465 0.182 1.00 0.14 H new ATOM 1174 N VAL B 17 1.821 -7.311 3.004 1.00 0.09 N ATOM 1175 CA VAL B 17 0.713 -7.325 3.946 1.00 0.10 C ATOM 1176 C VAL B 17 0.395 -5.917 4.431 1.00 0.11 C ATOM 1177 O VAL B 17 1.202 -5.280 5.109 1.00 0.16 O ATOM 1178 CB VAL B 17 0.978 -8.261 5.154 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.350 -8.015 5.763 1.00 0.18 C ATOM 1180 CG2 VAL B 17 -0.113 -8.100 6.209 1.00 0.19 C ATOM 0 H VAL B 17 2.734 -7.128 3.421 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.150 -7.719 3.410 1.00 0.10 H new ATOM 0 HB VAL B 17 0.959 -9.287 4.786 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.500 -8.689 6.606 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.119 -8.197 5.012 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.416 -6.983 6.107 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.091 -8.765 7.048 1.00 0.19 H new ATOM 0 HG22 VAL B 17 -0.130 -7.068 6.560 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -1.080 -8.352 5.774 1.00 0.19 H new ATOM 1190 N MET B 18 -0.776 -5.428 4.063 1.00 0.10 N ATOM 1191 CA MET B 18 -1.215 -4.123 4.529 1.00 0.11 C ATOM 1192 C MET B 18 -1.869 -4.284 5.893 1.00 0.10 C ATOM 1193 O MET B 18 -2.458 -5.326 6.183 1.00 0.15 O ATOM 1194 CB MET B 18 -2.187 -3.466 3.544 1.00 0.18 C ATOM 1195 CG MET B 18 -1.638 -3.335 2.128 1.00 0.29 C ATOM 1196 SD MET B 18 0.057 -2.720 2.078 1.00 0.94 S ATOM 1197 CE MET B 18 -0.135 -1.080 2.764 1.00 0.54 C ATOM 0 H MET B 18 -1.434 -5.908 3.450 1.00 0.10 H new ATOM 0 HA MET B 18 -0.347 -3.468 4.605 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.107 -4.049 3.514 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.450 -2.475 3.914 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.680 -4.308 1.638 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.279 -2.663 1.557 1.00 0.29 H new ATOM 0 HE1 MET B 18 0.726 -0.469 2.493 1.00 0.54 H new ATOM 0 HE2 MET B 18 -1.043 -0.624 2.368 1.00 0.54 H new ATOM 0 HE3 MET B 18 -0.205 -1.146 3.850 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.773 -3.268 6.755 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.219 -3.389 8.130 1.00 0.13 C ATOM 1209 C PRO B 19 -3.725 -3.222 8.301 1.00 0.13 C ATOM 1210 O PRO B 19 -4.417 -2.634 7.457 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.465 -2.273 8.850 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.122 -1.262 7.805 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.232 -1.931 6.458 1.00 0.19 C ATOM 0 HA PRO B 19 -2.018 -4.386 8.523 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.080 -1.830 9.634 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.565 -2.658 9.330 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -1.798 -0.409 7.863 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.113 -0.880 7.960 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -1.891 -1.375 5.791 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.261 -1.996 5.966 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.230 -3.749 9.408 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.616 -3.538 9.788 1.00 0.16 C ATOM 1223 C ILE B 20 -5.901 -2.043 9.884 1.00 0.16 C ATOM 1224 O ILE B 20 -6.998 -1.597 9.594 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.951 -4.228 11.130 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.341 -3.809 11.635 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.883 -3.927 12.168 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.473 -4.283 10.755 1.00 0.22 C ATOM 0 H ILE B 20 -3.698 -4.327 10.059 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.248 -3.984 9.020 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.969 -5.305 10.962 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.486 -4.201 12.642 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.379 -2.722 11.708 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.137 -4.422 13.105 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.919 -4.293 11.815 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.826 -2.851 12.330 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.423 -3.950 11.173 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.353 -3.870 9.754 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.461 -5.372 10.702 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.884 -1.275 10.250 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.995 0.176 10.323 1.00 0.16 C ATOM 1242 C GLU B 21 -5.329 0.761 8.954 1.00 0.16 C ATOM 1243 O GLU B 21 -5.929 1.822 8.863 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.684 0.764 10.839 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.241 0.162 12.161 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.168 0.520 13.301 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -3.947 1.561 13.949 1.00 1.07 O ATOM 1248 OE2 GLU B 21 -5.122 -0.242 13.560 1.00 1.06 O ATOM 0 H GLU B 21 -3.965 -1.637 10.503 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.802 0.432 11.010 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -2.904 0.605 10.095 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.798 1.842 10.957 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -3.192 -0.923 12.064 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.234 0.507 12.394 1.00 0.23 H new ATOM 1255 N LEU B 22 -4.957 0.049 7.894 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.299 0.458 6.539 1.00 0.15 C ATOM 1257 C LEU B 22 -6.745 0.095 6.269 1.00 0.15 C ATOM 1258 O LEU B 22 -7.506 0.863 5.679 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.361 -0.212 5.520 1.00 0.15 C ATOM 1260 CG LEU B 22 -4.958 -0.479 4.134 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -3.906 -0.279 3.056 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.512 -1.896 4.063 1.00 0.18 C ATOM 0 H LEU B 22 -4.418 -0.815 7.950 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.175 1.536 6.437 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.479 0.417 5.399 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.022 -1.160 5.937 1.00 0.15 H new ATOM 0 HG LEU B 22 -5.771 0.228 3.966 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.346 -0.473 2.078 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -3.538 0.747 3.092 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.078 -0.967 3.224 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -5.933 -2.073 3.073 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.710 -2.610 4.249 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.290 -2.021 4.816 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.114 -1.091 6.722 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.496 -1.551 6.625 1.00 0.15 C ATOM 1276 C ARG B 23 -9.425 -0.635 7.414 1.00 0.19 C ATOM 1277 O ARG B 23 -10.565 -0.398 7.021 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.620 -2.983 7.135 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.772 -3.983 6.372 1.00 0.16 C ATOM 1280 CD ARG B 23 -7.860 -5.370 6.988 1.00 0.35 C ATOM 1281 NE ARG B 23 -9.192 -5.646 7.530 1.00 0.64 N ATOM 1282 CZ ARG B 23 -9.515 -6.757 8.192 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -8.633 -7.737 8.327 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -10.723 -6.884 8.720 1.00 1.30 N ATOM 0 H ARG B 23 -6.478 -1.756 7.162 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.789 -1.525 5.575 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.337 -3.009 8.187 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.665 -3.289 7.078 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -8.100 -4.023 5.333 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.734 -3.652 6.365 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -7.613 -6.118 6.234 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.119 -5.462 7.782 1.00 0.35 H new ATOM 0 HE ARG B 23 -9.919 -4.944 7.392 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -7.701 -7.644 7.923 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -8.886 -8.585 8.835 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -11.405 -6.132 8.620 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -10.971 -7.734 9.227 1.00 1.30 H new ATOM 1298 N ARG B 24 -8.905 -0.110 8.510 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.652 0.771 9.388 1.00 0.20 C ATOM 1300 C ARG B 24 -9.683 2.169 8.809 1.00 0.22 C ATOM 1301 O ARG B 24 -10.684 2.880 8.901 1.00 0.26 O ATOM 1302 CB ARG B 24 -8.983 0.809 10.753 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.018 -0.510 11.497 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.306 -0.389 12.825 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.960 0.608 13.673 1.00 0.41 N ATOM 1306 CZ ARG B 24 -8.318 1.561 14.345 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.992 1.584 14.378 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -9.010 2.485 14.995 1.00 0.87 N ATOM 0 H ARG B 24 -7.948 -0.284 8.816 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.672 0.398 9.486 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -7.945 1.116 10.628 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.469 1.571 11.363 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.052 -0.816 11.659 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.547 -1.286 10.895 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.300 -1.355 13.329 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.266 -0.108 12.661 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.976 0.570 13.755 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.457 0.868 13.886 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.507 2.318 14.895 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -10.030 2.464 14.979 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -8.523 3.217 15.512 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.560 2.541 8.217 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.394 3.832 7.572 1.00 0.22 C ATOM 1324 C ALA B 25 -9.455 4.026 6.515 1.00 0.26 C ATOM 1325 O ALA B 25 -10.158 5.035 6.483 1.00 0.28 O ATOM 1326 CB ALA B 25 -7.026 3.895 6.912 1.00 0.23 C ATOM 0 H ALA B 25 -7.730 1.949 8.171 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.485 4.616 8.324 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -6.900 4.863 6.428 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.251 3.764 7.667 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -6.945 3.103 6.167 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.574 3.025 5.665 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.427 3.114 4.510 1.00 0.37 C ATOM 1334 C LEU B 26 -11.824 2.569 4.786 1.00 0.41 C ATOM 1335 O LEU B 26 -12.752 3.339 5.057 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.791 2.369 3.344 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.434 2.903 2.889 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.746 1.912 1.964 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -8.609 4.239 2.194 1.00 0.52 C ATOM 0 H LEU B 26 -9.083 2.136 5.760 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.537 4.168 4.257 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.676 1.322 3.623 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.477 2.399 2.498 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.804 3.040 3.768 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.782 2.314 1.653 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.594 0.969 2.489 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.368 1.742 1.086 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -7.637 4.612 1.873 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.255 4.115 1.325 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -9.061 4.951 2.884 1.00 0.52 H new ATOM 1351 N ASP B 27 -11.972 1.241 4.740 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.301 0.628 4.747 1.00 0.42 C ATOM 1353 C ASP B 27 -13.220 -0.895 4.624 1.00 0.41 C ATOM 1354 O ASP B 27 -14.218 -1.553 4.345 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.083 1.166 3.547 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.585 0.998 3.666 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.112 1.083 4.792 1.00 1.54 O ATOM 1358 OD2 ASP B 27 -16.245 0.813 2.617 1.00 1.34 O ATOM 0 H ASP B 27 -11.198 0.578 4.698 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.789 0.872 5.691 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -13.855 2.224 3.422 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -13.741 0.658 2.646 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.047 -1.457 4.867 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.769 -2.828 4.445 1.00 0.18 C ATOM 1365 C ILE B 28 -12.173 -3.834 5.507 1.00 0.23 C ATOM 1366 O ILE B 28 -11.722 -3.773 6.652 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.284 -3.039 4.066 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.917 -2.260 2.794 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -9.999 -4.519 3.862 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.114 -0.774 2.904 1.00 0.17 C ATOM 0 H ILE B 28 -11.276 -0.994 5.349 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.373 -2.995 3.553 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.674 -2.662 4.887 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.874 -2.460 2.547 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.518 -2.635 1.966 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -8.951 -4.654 3.596 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.212 -5.061 4.783 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.630 -4.904 3.061 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.832 -0.299 1.964 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.161 -0.561 3.119 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.492 -0.383 3.709 1.00 0.17 H new ATOM 1382 N ALA B 29 -13.008 -4.771 5.101 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.586 -5.731 6.017 1.00 0.28 C ATOM 1384 C ALA B 29 -12.883 -7.084 5.976 1.00 0.30 C ATOM 1385 O ALA B 29 -12.772 -7.761 6.997 1.00 0.41 O ATOM 1386 CB ALA B 29 -15.059 -5.888 5.706 1.00 0.29 C ATOM 0 H ALA B 29 -13.303 -4.887 4.131 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.454 -5.348 7.029 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.501 -6.610 6.393 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.559 -4.926 5.819 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.179 -6.241 4.682 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.426 -7.480 4.800 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.739 -8.759 4.641 1.00 0.27 C ATOM 1394 C ILE B 30 -11.031 -8.793 3.287 1.00 0.24 C ATOM 1395 O ILE B 30 -9.964 -9.381 3.146 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.720 -9.959 4.807 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.971 -11.299 4.918 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.733 -10.003 3.673 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.662 -11.973 3.596 1.00 0.34 C ATOM 0 H ILE B 30 -12.516 -6.938 3.940 1.00 0.26 H new ATOM 0 HA ILE B 30 -10.992 -8.857 5.428 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.259 -9.804 5.741 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -11.035 -11.131 5.450 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.566 -11.981 5.526 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.403 -10.851 3.817 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.312 -9.080 3.666 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.211 -10.111 2.722 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -11.134 -12.909 3.779 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.592 -12.179 3.067 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -11.037 -11.317 2.990 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.640 -8.142 2.303 1.00 0.21 N ATOM 1412 CA LYS B 31 -11.043 -7.960 0.986 1.00 0.19 C ATOM 1413 C LYS B 31 -11.278 -6.524 0.535 1.00 0.16 C ATOM 1414 O LYS B 31 -10.345 -5.817 0.154 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.660 -8.923 -0.037 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.823 -10.342 0.480 1.00 0.29 C ATOM 1417 CD LYS B 31 -12.069 -11.330 -0.646 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.802 -11.585 -1.447 1.00 0.47 C ATOM 1419 NZ LYS B 31 -9.693 -12.070 -0.587 1.00 1.38 N ATOM 0 H LYS B 31 -12.566 -7.724 2.397 1.00 0.21 H new ATOM 0 HA LYS B 31 -9.975 -8.170 1.051 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.635 -8.542 -0.339 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.034 -8.941 -0.929 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.928 -10.633 1.029 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.655 -10.379 1.183 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -12.436 -12.270 -0.234 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.847 -10.946 -1.306 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -11.006 -12.320 -2.225 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -10.498 -10.666 -1.948 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -9.220 -12.872 -1.050 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -9.007 -11.302 -0.439 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -10.074 -12.376 0.331 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.539 -6.112 0.642 1.00 0.16 N ATOM 1434 CA ASP B 32 -13.015 -4.797 0.212 1.00 0.15 C ATOM 1435 C ASP B 32 -12.322 -4.272 -1.042 1.00 0.15 C ATOM 1436 O ASP B 32 -12.536 -4.819 -2.116 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.973 -3.802 1.368 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.333 -3.717 2.024 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.192 -2.950 1.546 1.00 1.05 O ATOM 1440 OD2 ASP B 32 -14.562 -4.454 2.996 1.00 1.17 O ATOM 0 H ASP B 32 -13.276 -6.695 1.039 1.00 0.16 H new ATOM 0 HA ASP B 32 -14.056 -4.923 -0.084 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.226 -4.112 2.099 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.674 -2.820 1.003 1.00 0.15 H new ATOM 1445 N SER B 33 -11.512 -3.219 -0.924 1.00 0.14 N ATOM 1446 CA SER B 33 -10.838 -2.629 -2.088 1.00 0.14 C ATOM 1447 C SER B 33 -9.726 -1.681 -1.650 1.00 0.13 C ATOM 1448 O SER B 33 -9.901 -0.916 -0.701 1.00 0.15 O ATOM 1449 CB SER B 33 -11.825 -1.828 -2.953 1.00 0.18 C ATOM 1450 OG SER B 33 -12.932 -2.614 -3.361 1.00 0.24 O ATOM 0 H SER B 33 -11.305 -2.756 -0.039 1.00 0.14 H new ATOM 0 HA SER B 33 -10.423 -3.455 -2.665 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.181 -0.964 -2.392 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.308 -1.445 -3.833 1.00 0.18 H new ATOM 0 HG SER B 33 -12.708 -3.564 -3.274 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.583 -1.733 -2.332 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.527 -0.742 -2.135 1.00 0.13 C ATOM 1458 C ILE B 34 -6.871 -0.417 -3.471 1.00 0.13 C ATOM 1459 O ILE B 34 -6.140 -1.234 -4.020 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.411 -1.197 -1.161 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.980 -1.778 0.133 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.496 -0.028 -0.844 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.180 -3.273 0.076 1.00 0.18 C ATOM 0 H ILE B 34 -8.365 -2.449 -3.025 1.00 0.13 H new ATOM 0 HA ILE B 34 -8.018 0.127 -1.696 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.845 -1.987 -1.654 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.308 -1.539 0.957 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.934 -1.298 0.350 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.713 -0.354 -0.159 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -5.042 0.339 -1.765 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -6.074 0.771 -0.381 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.586 -3.622 1.025 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -7.875 -3.517 -0.728 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.224 -3.761 -0.111 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.148 0.760 -3.999 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.559 1.184 -5.258 1.00 0.14 C ATOM 1477 C GLU B 35 -5.451 2.184 -4.993 1.00 0.15 C ATOM 1478 O GLU B 35 -5.593 3.064 -4.140 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.622 1.799 -6.164 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.083 2.248 -7.515 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.155 2.795 -8.423 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -8.536 3.972 -8.254 1.00 1.33 O ATOM 1483 OE2 GLU B 35 -8.607 2.067 -9.323 1.00 1.12 O ATOM 0 H GLU B 35 -7.778 1.442 -3.576 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.140 0.314 -5.763 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.418 1.071 -6.323 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.069 2.654 -5.658 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.321 3.012 -7.361 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.595 1.405 -8.004 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.356 2.065 -5.732 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.188 2.890 -5.445 1.00 0.17 C ATOM 1492 C PHE B 36 -2.966 3.982 -6.494 1.00 0.22 C ATOM 1493 O PHE B 36 -3.379 3.870 -7.655 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.916 2.044 -5.309 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.152 0.578 -5.102 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.814 0.124 -3.977 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.697 -0.342 -6.027 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -3.018 -1.221 -3.776 1.00 1.27 C ATOM 1499 CE2 PHE B 36 -1.896 -1.692 -5.830 1.00 1.21 C ATOM 1500 CZ PHE B 36 -2.558 -2.129 -4.703 1.00 0.43 C ATOM 0 H PHE B 36 -4.251 1.422 -6.517 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.397 3.375 -4.491 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.311 2.177 -6.206 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.332 2.425 -4.471 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.175 0.834 -3.247 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.181 -0.001 -6.912 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.538 -1.564 -2.894 1.00 1.27 H new ATOM 0 HE2 PHE B 36 -1.534 -2.405 -6.556 1.00 1.21 H new ATOM 0 HZ PHE B 36 -2.716 -3.186 -4.547 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.300 5.036 -6.045 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.953 6.200 -6.851 1.00 0.30 C ATOM 1512 C PHE B 37 -0.470 6.471 -6.654 1.00 0.25 C ATOM 1513 O PHE B 37 -0.013 6.575 -5.530 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.789 7.395 -6.362 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.596 8.693 -7.104 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -1.475 9.478 -6.882 1.00 1.24 C ATOM 1517 CD2 PHE B 37 -3.558 9.146 -7.992 1.00 1.67 C ATOM 1518 CE1 PHE B 37 -1.312 10.682 -7.543 1.00 1.64 C ATOM 1519 CE2 PHE B 37 -3.404 10.350 -8.649 1.00 2.10 C ATOM 1520 CZ PHE B 37 -2.281 11.119 -8.426 1.00 1.80 C ATOM 0 H PHE B 37 -1.976 5.108 -5.081 1.00 0.22 H new ATOM 0 HA PHE B 37 -2.158 6.034 -7.909 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.843 7.122 -6.419 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.560 7.565 -5.310 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.720 9.145 -6.185 1.00 1.24 H new ATOM 0 HD2 PHE B 37 -4.440 8.549 -8.173 1.00 1.67 H new ATOM 0 HE1 PHE B 37 -0.429 11.279 -7.369 1.00 1.64 H new ATOM 0 HE2 PHE B 37 -4.163 10.690 -9.338 1.00 2.10 H new ATOM 0 HZ PHE B 37 -2.159 12.061 -8.940 1.00 1.80 H new ATOM 1530 N VAL B 38 0.291 6.557 -7.722 1.00 0.24 N ATOM 1531 CA VAL B 38 1.720 6.770 -7.573 1.00 0.19 C ATOM 1532 C VAL B 38 2.043 8.262 -7.628 1.00 0.20 C ATOM 1533 O VAL B 38 1.504 9.001 -8.455 1.00 0.24 O ATOM 1534 CB VAL B 38 2.542 6.002 -8.634 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.196 6.447 -10.050 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.032 6.160 -8.361 1.00 0.25 C ATOM 0 H VAL B 38 -0.042 6.485 -8.684 1.00 0.24 H new ATOM 0 HA VAL B 38 2.005 6.376 -6.598 1.00 0.19 H new ATOM 0 HB VAL B 38 2.282 4.946 -8.559 1.00 0.23 H new ATOM 0 HG11 VAL B 38 2.795 5.883 -10.765 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.138 6.265 -10.240 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.407 7.511 -10.159 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.600 5.615 -9.115 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.299 7.216 -8.399 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.265 5.762 -7.373 1.00 0.25 H new ATOM 1546 N ASP B 39 2.908 8.696 -6.731 1.00 0.20 N ATOM 1547 CA ASP B 39 3.264 10.105 -6.620 1.00 0.26 C ATOM 1548 C ASP B 39 4.772 10.247 -6.499 1.00 0.29 C ATOM 1549 O ASP B 39 5.340 10.020 -5.427 1.00 0.29 O ATOM 1550 CB ASP B 39 2.578 10.742 -5.405 1.00 0.31 C ATOM 1551 CG ASP B 39 2.881 12.225 -5.266 1.00 0.42 C ATOM 1552 OD1 ASP B 39 3.964 12.577 -4.754 1.00 1.18 O ATOM 1553 OD2 ASP B 39 2.028 13.048 -5.650 1.00 1.17 O ATOM 0 H ASP B 39 3.383 8.090 -6.062 1.00 0.20 H new ATOM 0 HA ASP B 39 2.924 10.622 -7.518 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.500 10.603 -5.488 1.00 0.31 H new ATOM 0 HB3 ASP B 39 2.898 10.224 -4.501 1.00 0.31 H new ATOM 1558 N GLY B 40 5.418 10.595 -7.603 1.00 0.35 N ATOM 1559 CA GLY B 40 6.862 10.713 -7.613 1.00 0.39 C ATOM 1560 C GLY B 40 7.535 9.370 -7.429 1.00 0.34 C ATOM 1561 O GLY B 40 7.796 8.658 -8.399 1.00 0.42 O ATOM 0 H GLY B 40 4.966 10.798 -8.495 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.184 11.155 -8.556 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.177 11.390 -6.819 1.00 0.39 H new ATOM 1565 N ASP B 41 7.797 9.018 -6.181 1.00 0.28 N ATOM 1566 CA ASP B 41 8.401 7.737 -5.853 1.00 0.28 C ATOM 1567 C ASP B 41 7.467 6.909 -4.981 1.00 0.23 C ATOM 1568 O ASP B 41 7.647 5.705 -4.830 1.00 0.29 O ATOM 1569 CB ASP B 41 9.737 7.941 -5.129 1.00 0.37 C ATOM 1570 CG ASP B 41 9.597 8.657 -3.794 1.00 1.17 C ATOM 1571 OD1 ASP B 41 9.349 7.986 -2.767 1.00 1.91 O ATOM 1572 OD2 ASP B 41 9.756 9.897 -3.766 1.00 1.84 O ATOM 0 H ASP B 41 7.599 9.607 -5.372 1.00 0.28 H new ATOM 0 HA ASP B 41 8.580 7.202 -6.785 1.00 0.28 H new ATOM 0 HB2 ASP B 41 10.205 6.970 -4.965 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.406 8.513 -5.771 1.00 0.37 H new ATOM 1577 N LYS B 42 6.443 7.554 -4.450 1.00 0.20 N ATOM 1578 CA LYS B 42 5.619 6.959 -3.413 1.00 0.21 C ATOM 1579 C LYS B 42 4.350 6.364 -4.002 1.00 0.16 C ATOM 1580 O LYS B 42 4.011 6.603 -5.162 1.00 0.14 O ATOM 1581 CB LYS B 42 5.247 8.006 -2.363 1.00 0.27 C ATOM 1582 CG LYS B 42 3.852 8.569 -2.562 1.00 0.33 C ATOM 1583 CD LYS B 42 3.571 9.746 -1.653 1.00 0.36 C ATOM 1584 CE LYS B 42 4.576 10.865 -1.878 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.070 12.171 -1.387 1.00 0.78 N ATOM 0 H LYS B 42 6.161 8.496 -4.722 1.00 0.20 H new ATOM 0 HA LYS B 42 6.197 6.163 -2.944 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.315 7.559 -1.371 1.00 0.27 H new ATOM 0 HB3 LYS B 42 5.971 8.820 -2.396 1.00 0.27 H new ATOM 0 HG2 LYS B 42 3.732 8.878 -3.600 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.117 7.786 -2.376 1.00 0.33 H new ATOM 0 HD2 LYS B 42 2.562 10.117 -1.835 1.00 0.36 H new ATOM 0 HD3 LYS B 42 3.609 9.423 -0.613 1.00 0.36 H new ATOM 0 HE2 LYS B 42 5.509 10.623 -1.369 1.00 0.63 H new ATOM 0 HE3 LYS B 42 4.803 10.940 -2.941 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 4.784 12.907 -1.559 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 3.193 12.415 -1.890 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 3.877 12.107 -0.367 1.00 0.78 H new ATOM 1599 N ILE B 43 3.646 5.608 -3.181 1.00 0.17 N ATOM 1600 CA ILE B 43 2.403 4.985 -3.583 1.00 0.16 C ATOM 1601 C ILE B 43 1.298 5.394 -2.610 1.00 0.18 C ATOM 1602 O ILE B 43 1.527 5.487 -1.406 1.00 0.21 O ATOM 1603 CB ILE B 43 2.527 3.447 -3.608 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.695 3.013 -4.502 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.230 2.818 -4.089 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.457 3.240 -5.983 1.00 0.22 C ATOM 0 H ILE B 43 3.920 5.410 -2.219 1.00 0.17 H new ATOM 0 HA ILE B 43 2.160 5.320 -4.591 1.00 0.16 H new ATOM 0 HB ILE B 43 2.725 3.103 -2.593 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.591 3.556 -4.201 1.00 0.18 H new ATOM 0 HG13 ILE B 43 3.893 1.954 -4.335 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.334 1.733 -4.101 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.419 3.097 -3.417 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.005 3.172 -5.095 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.329 2.908 -6.547 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.581 2.674 -6.302 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.290 4.301 -6.166 1.00 0.22 H new ATOM 1618 N ILE B 44 0.113 5.642 -3.133 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.993 6.147 -2.336 1.00 0.19 C ATOM 1620 C ILE B 44 -2.159 5.169 -2.360 1.00 0.20 C ATOM 1621 O ILE B 44 -2.773 4.957 -3.401 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.472 7.510 -2.871 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.289 8.476 -2.982 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.563 8.076 -1.975 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.663 9.862 -3.462 1.00 0.25 C ATOM 0 H ILE B 44 -0.112 5.501 -4.118 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.638 6.265 -1.312 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.894 7.374 -3.867 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.191 8.559 -2.007 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.448 8.054 -3.665 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.891 9.039 -2.366 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.407 7.387 -1.951 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.173 8.208 -0.966 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.231 10.483 -3.513 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -1.115 9.795 -4.452 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.375 10.308 -2.768 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.466 4.579 -1.221 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.512 3.571 -1.145 1.00 0.19 C ATOM 1639 C LEU B 45 -4.802 4.146 -0.588 1.00 0.20 C ATOM 1640 O LEU B 45 -4.804 4.791 0.463 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.060 2.387 -0.290 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.255 1.318 -1.032 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -0.949 1.887 -1.556 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -1.994 0.123 -0.132 1.00 0.24 C ATOM 0 H LEU B 45 -2.006 4.779 -0.333 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.704 3.226 -2.161 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.457 2.765 0.536 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -3.941 1.917 0.147 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.845 0.984 -1.886 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.396 1.107 -2.079 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.159 2.706 -2.244 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.353 2.257 -0.722 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.420 -0.626 -0.678 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.430 0.444 0.744 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -2.944 -0.308 0.185 1.00 0.24 H new ATOM 1656 N LYS B 46 -5.893 3.920 -1.309 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.214 4.323 -0.854 1.00 0.24 C ATOM 1658 C LYS B 46 -8.280 3.411 -1.441 1.00 0.20 C ATOM 1659 O LYS B 46 -8.089 2.822 -2.505 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.486 5.782 -1.227 1.00 0.38 C ATOM 1661 CG LYS B 46 -7.096 6.128 -2.654 1.00 0.99 C ATOM 1662 CD LYS B 46 -7.547 7.525 -3.047 1.00 1.11 C ATOM 1663 CE LYS B 46 -9.041 7.574 -3.323 1.00 1.14 C ATOM 1664 NZ LYS B 46 -9.861 7.560 -2.074 1.00 1.85 N ATOM 0 H LYS B 46 -5.886 3.456 -2.217 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.248 4.235 0.232 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -8.546 5.992 -1.088 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -6.940 6.431 -0.542 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -6.014 6.053 -2.762 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -7.536 5.400 -3.336 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -7.301 8.225 -2.249 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -7.002 7.848 -3.934 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -9.271 8.474 -3.893 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -9.319 6.723 -3.944 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -10.812 7.928 -2.279 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -9.936 6.585 -1.719 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -9.407 8.157 -1.354 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.394 3.296 -0.735 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.488 2.433 -1.156 1.00 0.22 C ATOM 1680 C LYS B 47 -11.082 2.953 -2.460 1.00 0.25 C ATOM 1681 O LYS B 47 -10.818 4.091 -2.862 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.560 2.362 -0.069 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.100 0.959 0.168 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.592 0.866 -0.093 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.106 -0.516 0.269 1.00 0.51 C ATOM 1686 NZ LYS B 47 -15.582 -0.556 0.439 1.00 0.43 N ATOM 0 H LYS B 47 -9.565 3.793 0.139 1.00 0.22 H new ATOM 0 HA LYS B 47 -10.103 1.427 -1.320 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.145 2.744 0.864 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.386 3.018 -0.343 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.575 0.256 -0.479 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -11.894 0.661 1.196 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -14.118 1.621 0.491 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.798 1.074 -1.143 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -13.815 -1.222 -0.509 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.630 -0.845 1.192 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.860 -1.471 0.847 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -15.879 0.211 1.075 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -16.041 -0.436 -0.486 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.885 2.131 -3.116 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.398 2.484 -4.427 1.00 0.23 C ATOM 1702 C TYR B 48 -13.676 3.298 -4.290 1.00 0.25 C ATOM 1703 O TYR B 48 -13.830 4.346 -4.914 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.674 1.224 -5.242 1.00 0.27 C ATOM 1705 CG TYR B 48 -12.975 1.510 -6.697 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -11.972 1.944 -7.553 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.257 1.362 -7.212 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -12.235 2.217 -8.880 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -14.529 1.635 -8.540 1.00 1.03 C ATOM 1710 CZ TYR B 48 -13.514 2.063 -9.370 1.00 0.59 C ATOM 1711 OH TYR B 48 -13.779 2.341 -10.691 1.00 0.74 O ATOM 0 H TYR B 48 -12.193 1.224 -2.766 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.648 3.084 -4.943 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.810 0.562 -5.180 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.516 0.691 -4.801 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -10.969 2.070 -7.174 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -15.054 1.028 -6.564 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -11.441 2.550 -9.532 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -15.531 1.514 -8.925 1.00 1.03 H new ATOM 0 HH TYR B 48 -14.728 2.180 -10.875 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.584 2.780 -3.473 1.00 0.32 N ATOM 1722 CA LYS B 49 -15.867 3.421 -3.199 1.00 0.46 C ATOM 1723 C LYS B 49 -15.717 4.903 -2.818 1.00 0.54 C ATOM 1724 O LYS B 49 -16.333 5.761 -3.454 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.606 2.647 -2.100 1.00 0.61 C ATOM 1726 CG LYS B 49 -17.943 3.258 -1.710 1.00 0.97 C ATOM 1727 CD LYS B 49 -18.645 2.427 -0.649 1.00 2.15 C ATOM 1728 CE LYS B 49 -19.213 1.138 -1.224 1.00 2.61 C ATOM 1729 NZ LYS B 49 -20.288 1.398 -2.219 1.00 2.92 N ATOM 0 H LYS B 49 -14.452 1.898 -2.978 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.452 3.397 -4.118 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.770 1.623 -2.437 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -15.970 2.594 -1.216 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -17.787 4.270 -1.337 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.579 3.338 -2.592 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -17.943 2.190 0.150 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -19.450 3.012 -0.203 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -18.413 0.568 -1.696 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -19.608 0.523 -0.415 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -20.849 0.533 -2.358 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -20.906 2.159 -1.872 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -19.862 1.683 -3.124 1.00 2.92 H new ATOM 1743 N PRO B 50 -14.928 5.244 -1.773 1.00 0.60 N ATOM 1744 CA PRO B 50 -14.689 6.639 -1.409 1.00 0.82 C ATOM 1745 C PRO B 50 -13.819 7.349 -2.442 1.00 0.82 C ATOM 1746 O PRO B 50 -12.585 7.261 -2.414 1.00 1.57 O ATOM 1747 CB PRO B 50 -13.970 6.562 -0.054 1.00 1.06 C ATOM 1748 CG PRO B 50 -14.111 5.147 0.392 1.00 0.89 C ATOM 1749 CD PRO B 50 -14.224 4.333 -0.862 1.00 0.53 C ATOM 0 HA PRO B 50 -15.616 7.211 -1.363 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -12.921 6.840 -0.150 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -14.417 7.247 0.667 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -13.250 4.836 0.984 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -14.992 5.021 1.021 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.246 4.048 -1.250 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -14.783 3.412 -0.698 1.00 0.53 H new ATOM 1757 N HIS B 51 -14.483 8.020 -3.369 1.00 0.97 N ATOM 1758 CA HIS B 51 -13.818 8.742 -4.441 1.00 1.13 C ATOM 1759 C HIS B 51 -12.968 9.882 -3.888 1.00 1.69 C ATOM 1760 O HIS B 51 -13.482 10.833 -3.301 1.00 2.46 O ATOM 1761 CB HIS B 51 -14.869 9.281 -5.421 1.00 2.12 C ATOM 1762 CG HIS B 51 -14.315 10.170 -6.490 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -14.500 11.534 -6.493 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -13.599 9.887 -7.603 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -13.919 12.053 -7.555 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -13.365 11.076 -8.246 1.00 4.55 N ATOM 0 H HIS B 51 -15.501 8.079 -3.399 1.00 0.97 H new ATOM 0 HA HIS B 51 -13.152 8.057 -4.966 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -15.376 8.439 -5.892 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -15.623 9.833 -4.860 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -13.273 8.909 -7.925 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -13.900 13.101 -7.816 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -12.846 11.186 -9.117 1.00 4.55 H new ATOM 1775 N GLY B 52 -11.667 9.763 -4.071 1.00 2.10 N ATOM 1776 CA GLY B 52 -10.758 10.815 -3.677 1.00 3.10 C ATOM 1777 C GLY B 52 -10.043 11.370 -4.881 1.00 2.89 C ATOM 1778 O GLY B 52 -10.584 11.332 -5.989 1.00 3.12 O ATOM 0 H GLY B 52 -11.219 8.948 -4.490 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -11.308 11.610 -3.174 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -10.032 10.428 -2.962 1.00 3.10 H new ATOM 1782 N VAL B 53 -8.824 11.845 -4.692 1.00 2.81 N ATOM 1783 CA VAL B 53 -8.056 12.383 -5.801 1.00 2.74 C ATOM 1784 C VAL B 53 -7.593 11.256 -6.720 1.00 2.07 C ATOM 1785 O VAL B 53 -7.116 10.212 -6.261 1.00 1.96 O ATOM 1786 CB VAL B 53 -6.848 13.226 -5.331 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -5.853 12.392 -4.535 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -6.176 13.889 -6.525 1.00 3.62 C ATOM 0 H VAL B 53 -8.348 11.869 -3.790 1.00 2.81 H new ATOM 0 HA VAL B 53 -8.716 13.052 -6.353 1.00 2.74 H new ATOM 0 HB VAL B 53 -7.219 14.003 -4.662 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -5.019 13.021 -4.223 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -6.346 11.980 -3.655 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -5.481 11.578 -5.157 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -5.327 14.480 -6.183 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -5.829 13.123 -7.219 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -6.890 14.539 -7.030 1.00 3.62 H new ATOM 1798 N CYS B 54 -7.764 11.466 -8.014 1.00 1.96 N ATOM 1799 CA CYS B 54 -7.455 10.456 -9.013 1.00 1.58 C ATOM 1800 C CYS B 54 -6.973 11.137 -10.287 1.00 2.13 C ATOM 1801 O CYS B 54 -5.754 11.146 -10.532 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.690 9.603 -9.320 1.00 1.96 C ATOM 1803 SG CYS B 54 -9.544 8.954 -7.860 1.00 2.82 S ATOM 1804 OXT CYS B 54 -7.818 11.703 -11.013 1.00 2.59 O ATOM 0 H CYS B 54 -8.120 12.340 -8.402 1.00 1.96 H new ATOM 0 HA CYS B 54 -6.673 9.804 -8.623 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -9.393 10.201 -9.899 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -8.389 8.766 -9.950 1.00 1.96 H new ATOM 0 HG CYS B 54 -9.952 9.942 -7.121 1.00 2.82 H new TER 1810 CYS B 54