USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1048 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: B 23 TYR OH : rot 40:sc= 1.27 USER MOD Set 1.2: B 64 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 81 THR OG1 : rot -86:sc= -0.716 USER MOD Set 2.2: B 17 ASN : amide:sc= -3.2! K(o=-3.9!,f=-2) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0.999 USER MOD Set 3.2: A 64 SER OG : rot 61:sc= 1.24 USER MOD Set 4.1: A 17 ASN : amide:sc= -3.42! K(o=-4.3!,f=-2.3) USER MOD Set 4.2: B 81 THR OG1 : rot -87:sc= -0.933 USER MOD Single : A 15 MET CE :methyl 164:sc= -0.1 (180deg=-0.452) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 0.597 (180deg=0.544) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.836 K(o=-0.84,f=-0.24) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 25:sc= 0.224 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 65:sc= 1.21 USER MOD Single : A 51 GLN : amide:sc= -0.0558 K(o=-0.056,f=-0.61) USER MOD Single : A 52 CYS SG : rot 73:sc= 1.12 USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.969 USER MOD Single : A 60 THR OG1 : rot 171:sc= 1.3 USER MOD Single : A 70 GLN : amide:sc= -0.977 X(o=-0.98,f=-0.71) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 164:sc= -0.0792 (180deg=-0.448) USER MOD Single : B 18 LYS NZ :NH3+ -170:sc= 0.616 (180deg=0.523) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 GLN : amide:sc= -0.709 K(o=-0.71,f=-0.18) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 32 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : B 39 SER OG : rot 180:sc= 0.235 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 SER OG : rot 69:sc= 1.21 USER MOD Single : B 51 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.64) USER MOD Single : B 52 CYS SG : rot 74:sc= 1.08 USER MOD Single : B 55 THR OG1 : rot 77:sc= 0.949 USER MOD Single : B 60 THR OG1 : rot 160:sc= 1.21 USER MOD Single : B 70 GLN : amide:sc= -1 X(o=-1,f=-0.69) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 15.748 9.469 -3.619 1.00 2.26 N ATOM 2 CA MET A 15 15.240 8.412 -2.719 1.00 1.69 C ATOM 3 C MET A 15 13.938 7.844 -3.259 1.00 1.42 C ATOM 4 O MET A 15 13.143 8.560 -3.869 1.00 1.57 O ATOM 5 CB MET A 15 15.008 8.964 -1.305 1.00 1.82 C ATOM 6 CG MET A 15 13.934 10.044 -1.233 1.00 2.22 C ATOM 7 SD MET A 15 13.568 10.564 0.456 1.00 3.04 S ATOM 8 CE MET A 15 15.160 11.201 0.972 1.00 3.68 C ATOM 0 HA MET A 15 15.989 7.622 -2.670 1.00 1.69 H new ATOM 0 HB2 MET A 15 14.728 8.142 -0.646 1.00 1.82 H new ATOM 0 HB3 MET A 15 15.945 9.371 -0.926 1.00 1.82 H new ATOM 0 HG2 MET A 15 14.257 10.909 -1.812 1.00 2.22 H new ATOM 0 HG3 MET A 15 13.021 9.672 -1.699 1.00 2.22 H new ATOM 0 HE1 MET A 15 15.036 11.809 1.868 1.00 3.68 H new ATOM 0 HE2 MET A 15 15.832 10.370 1.187 1.00 3.68 H new ATOM 0 HE3 MET A 15 15.583 11.812 0.175 1.00 3.68 H new ATOM 20 N ASP A 16 13.725 6.556 -3.043 1.00 1.26 N ATOM 21 CA ASP A 16 12.489 5.921 -3.460 1.00 1.13 C ATOM 22 C ASP A 16 11.449 6.024 -2.360 1.00 0.92 C ATOM 23 O ASP A 16 11.727 5.751 -1.191 1.00 1.01 O ATOM 24 CB ASP A 16 12.710 4.453 -3.824 1.00 1.39 C ATOM 25 CG ASP A 16 11.410 3.764 -4.188 1.00 1.84 C ATOM 26 OD1 ASP A 16 10.896 4.008 -5.301 1.00 2.28 O ATOM 27 OD2 ASP A 16 10.886 2.996 -3.357 1.00 2.40 O ATOM 0 H ASP A 16 14.390 5.934 -2.583 1.00 1.26 H new ATOM 0 HA ASP A 16 12.132 6.443 -4.348 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.404 4.386 -4.662 1.00 1.39 H new ATOM 0 HB3 ASP A 16 13.173 3.936 -2.984 1.00 1.39 H new ATOM 32 N ASN A 17 10.256 6.437 -2.742 1.00 0.78 N ATOM 33 CA ASN A 17 9.161 6.592 -1.803 1.00 0.74 C ATOM 34 C ASN A 17 8.465 5.271 -1.548 1.00 0.61 C ATOM 35 O ASN A 17 8.030 4.999 -0.432 1.00 0.65 O ATOM 36 CB ASN A 17 8.143 7.597 -2.338 1.00 0.92 C ATOM 37 CG ASN A 17 6.896 7.660 -1.478 1.00 1.56 C ATOM 38 OD1 ASN A 17 5.924 6.945 -1.713 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.918 8.521 -0.482 1.00 1.71 N ATOM 0 H ASN A 17 10.019 6.673 -3.706 1.00 0.78 H new ATOM 0 HA ASN A 17 9.581 6.955 -0.865 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.600 8.585 -2.385 1.00 0.92 H new ATOM 0 HB3 ASN A 17 7.867 7.325 -3.357 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.107 8.614 0.130 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.746 9.095 -0.322 1.00 1.71 H new ATOM 46 N LYS A 18 8.382 4.446 -2.581 1.00 0.59 N ATOM 47 CA LYS A 18 7.568 3.245 -2.538 1.00 0.62 C ATOM 48 C LYS A 18 8.038 2.256 -1.471 1.00 0.53 C ATOM 49 O LYS A 18 7.227 1.541 -0.883 1.00 0.48 O ATOM 50 CB LYS A 18 7.521 2.576 -3.912 1.00 0.82 C ATOM 51 CG LYS A 18 6.395 3.092 -4.799 1.00 1.09 C ATOM 52 CD LYS A 18 6.633 4.516 -5.283 1.00 1.04 C ATOM 53 CE LYS A 18 7.717 4.569 -6.345 1.00 1.44 C ATOM 54 NZ LYS A 18 7.869 5.932 -6.923 1.00 1.90 N ATOM 0 H LYS A 18 8.873 4.590 -3.464 1.00 0.59 H new ATOM 0 HA LYS A 18 6.560 3.554 -2.261 1.00 0.62 H new ATOM 0 HB2 LYS A 18 8.473 2.735 -4.418 1.00 0.82 H new ATOM 0 HB3 LYS A 18 7.405 1.500 -3.780 1.00 0.82 H new ATOM 0 HG2 LYS A 18 6.286 2.433 -5.661 1.00 1.09 H new ATOM 0 HG3 LYS A 18 5.456 3.053 -4.247 1.00 1.09 H new ATOM 0 HD2 LYS A 18 5.706 4.924 -5.687 1.00 1.04 H new ATOM 0 HD3 LYS A 18 6.917 5.145 -4.440 1.00 1.04 H new ATOM 0 HE2 LYS A 18 8.665 4.252 -5.911 1.00 1.44 H new ATOM 0 HE3 LYS A 18 7.479 3.863 -7.141 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.507 5.892 -7.744 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 6.939 6.287 -7.224 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 8.268 6.571 -6.206 1.00 1.90 H new ATOM 68 N LYS A 19 9.338 2.212 -1.219 1.00 0.60 N ATOM 69 CA LYS A 19 9.866 1.371 -0.151 1.00 0.61 C ATOM 70 C LYS A 19 9.385 1.857 1.221 1.00 0.53 C ATOM 71 O LYS A 19 9.048 1.052 2.089 1.00 0.55 O ATOM 72 CB LYS A 19 11.397 1.317 -0.205 1.00 0.77 C ATOM 73 CG LYS A 19 12.061 2.685 -0.237 1.00 0.82 C ATOM 74 CD LYS A 19 13.576 2.579 -0.289 1.00 1.19 C ATOM 75 CE LYS A 19 14.144 1.977 0.987 1.00 1.06 C ATOM 76 NZ LYS A 19 15.623 1.852 0.931 1.00 1.49 N ATOM 0 H LYS A 19 10.042 2.742 -1.733 1.00 0.60 H new ATOM 0 HA LYS A 19 9.486 0.360 -0.301 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.762 0.767 0.662 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.700 0.756 -1.089 1.00 0.77 H new ATOM 0 HG2 LYS A 19 11.706 3.240 -1.105 1.00 0.82 H new ATOM 0 HG3 LYS A 19 11.767 3.252 0.646 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.868 1.966 -1.142 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.004 3.569 -0.446 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.864 2.599 1.837 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.703 0.994 1.152 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.970 1.438 1.819 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.890 1.238 0.135 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.046 2.793 0.799 1.00 1.49 H new ATOM 90 N ARG A 20 9.327 3.175 1.408 1.00 0.54 N ATOM 91 CA ARG A 20 8.839 3.739 2.664 1.00 0.58 C ATOM 92 C ARG A 20 7.323 3.601 2.727 1.00 0.54 C ATOM 93 O ARG A 20 6.741 3.424 3.798 1.00 0.61 O ATOM 94 CB ARG A 20 9.240 5.211 2.806 1.00 0.70 C ATOM 95 CG ARG A 20 10.728 5.461 2.617 1.00 0.82 C ATOM 96 CD ARG A 20 11.154 6.807 3.186 1.00 1.01 C ATOM 97 NE ARG A 20 10.366 7.924 2.661 1.00 1.31 N ATOM 98 CZ ARG A 20 10.738 9.203 2.763 1.00 1.45 C ATOM 99 NH1 ARG A 20 11.908 9.515 3.304 1.00 1.32 N ATOM 100 NH2 ARG A 20 9.941 10.170 2.330 1.00 2.34 N ATOM 0 H ARG A 20 9.609 3.866 0.713 1.00 0.54 H new ATOM 0 HA ARG A 20 9.293 3.189 3.489 1.00 0.58 H new ATOM 0 HB2 ARG A 20 8.686 5.801 2.076 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.944 5.565 3.793 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.294 4.666 3.102 1.00 0.82 H new ATOM 0 HG3 ARG A 20 10.971 5.423 1.555 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.061 6.782 4.272 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.207 6.974 2.960 1.00 1.01 H new ATOM 0 HE ARG A 20 9.485 7.714 2.192 1.00 1.31 H new ATOM 0 HH11 ARG A 20 12.526 8.778 3.643 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.190 10.492 3.381 1.00 1.32 H new ATOM 0 HH21 ARG A 20 9.038 9.939 1.916 1.00 2.34 H new ATOM 0 HH22 ARG A 20 10.231 11.145 2.411 1.00 2.34 H new ATOM 114 N LEU A 21 6.703 3.689 1.557 1.00 0.54 N ATOM 115 CA LEU A 21 5.280 3.429 1.387 1.00 0.59 C ATOM 116 C LEU A 21 4.930 2.049 1.937 1.00 0.57 C ATOM 117 O LEU A 21 4.000 1.900 2.732 1.00 0.64 O ATOM 118 CB LEU A 21 4.941 3.528 -0.107 1.00 0.64 C ATOM 119 CG LEU A 21 3.675 2.807 -0.588 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.439 3.349 0.109 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.536 2.957 -2.094 1.00 0.61 C ATOM 0 H LEU A 21 7.179 3.945 0.692 1.00 0.54 H new ATOM 0 HA LEU A 21 4.694 4.164 1.939 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.847 4.583 -0.363 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.787 3.138 -0.672 1.00 0.64 H new ATOM 0 HG LEU A 21 3.766 1.750 -0.338 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.557 2.820 -0.251 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.535 3.204 1.185 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.337 4.413 -0.106 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.635 2.443 -2.429 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.467 4.014 -2.349 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.406 2.521 -2.585 1.00 0.61 H new ATOM 133 N ALA A 22 5.700 1.054 1.517 1.00 0.56 N ATOM 134 CA ALA A 22 5.524 -0.312 1.984 1.00 0.63 C ATOM 135 C ALA A 22 5.618 -0.389 3.496 1.00 0.51 C ATOM 136 O ALA A 22 4.721 -0.906 4.153 1.00 0.44 O ATOM 137 CB ALA A 22 6.568 -1.215 1.363 1.00 0.83 C ATOM 0 H ALA A 22 6.460 1.171 0.847 1.00 0.56 H new ATOM 0 HA ALA A 22 4.531 -0.644 1.682 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.426 -2.235 1.720 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.469 -1.194 0.278 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.563 -0.868 1.643 1.00 0.83 H new ATOM 143 N TYR A 23 6.710 0.141 4.038 1.00 0.62 N ATOM 144 CA TYR A 23 6.944 0.118 5.476 1.00 0.76 C ATOM 145 C TYR A 23 5.783 0.747 6.242 1.00 0.67 C ATOM 146 O TYR A 23 5.329 0.210 7.255 1.00 0.67 O ATOM 147 CB TYR A 23 8.248 0.844 5.821 1.00 1.11 C ATOM 148 CG TYR A 23 8.339 1.211 7.282 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.534 0.238 8.251 1.00 1.86 C ATOM 150 CD2 TYR A 23 8.196 2.530 7.693 1.00 1.46 C ATOM 151 CE1 TYR A 23 8.583 0.567 9.587 1.00 2.48 C ATOM 152 CE2 TYR A 23 8.251 2.867 9.028 1.00 1.82 C ATOM 153 CZ TYR A 23 8.443 1.883 9.972 1.00 2.23 C ATOM 154 OH TYR A 23 8.489 2.214 11.307 1.00 2.99 O ATOM 0 H TYR A 23 7.449 0.593 3.500 1.00 0.62 H new ATOM 0 HA TYR A 23 7.025 -0.926 5.777 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.094 0.209 5.556 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.327 1.748 5.217 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.649 -0.794 7.953 1.00 1.86 H new ATOM 0 HD2 TYR A 23 8.039 3.303 6.955 1.00 1.46 H new ATOM 0 HE1 TYR A 23 8.730 -0.203 10.330 1.00 2.48 H new ATOM 0 HE2 TYR A 23 8.144 3.898 9.332 1.00 1.82 H new ATOM 0 HH TYR A 23 8.375 3.182 11.408 1.00 2.99 H new ATOM 164 N ALA A 24 5.310 1.883 5.755 1.00 0.72 N ATOM 165 CA ALA A 24 4.216 2.596 6.396 1.00 0.87 C ATOM 166 C ALA A 24 2.966 1.733 6.464 1.00 0.75 C ATOM 167 O ALA A 24 2.268 1.701 7.478 1.00 0.84 O ATOM 168 CB ALA A 24 3.923 3.874 5.643 1.00 1.14 C ATOM 0 H ALA A 24 5.669 2.333 4.913 1.00 0.72 H new ATOM 0 HA ALA A 24 4.517 2.838 7.415 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.103 4.403 6.129 1.00 1.14 H new ATOM 0 HB2 ALA A 24 4.811 4.506 5.640 1.00 1.14 H new ATOM 0 HB3 ALA A 24 3.644 3.636 4.617 1.00 1.14 H new ATOM 174 N ILE A 25 2.696 1.040 5.372 1.00 0.62 N ATOM 175 CA ILE A 25 1.562 0.139 5.293 1.00 0.71 C ATOM 176 C ILE A 25 1.793 -1.086 6.175 1.00 0.61 C ATOM 177 O ILE A 25 0.870 -1.570 6.828 1.00 0.66 O ATOM 178 CB ILE A 25 1.304 -0.269 3.828 1.00 0.80 C ATOM 179 CG1 ILE A 25 0.871 0.967 3.036 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.257 -1.369 3.730 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.646 0.709 1.568 1.00 0.89 C ATOM 0 H ILE A 25 3.254 1.086 4.519 1.00 0.62 H new ATOM 0 HA ILE A 25 0.675 0.655 5.661 1.00 0.71 H new ATOM 0 HB ILE A 25 2.226 -0.670 3.406 1.00 0.80 H new ATOM 0 HG12 ILE A 25 -0.048 1.360 3.470 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.631 1.740 3.146 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.101 -1.631 2.683 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.600 -2.247 4.277 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.681 -1.018 4.160 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.342 1.634 1.078 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.569 0.346 1.117 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.136 -0.040 1.446 1.00 0.89 H new ATOM 193 N ILE A 26 3.036 -1.556 6.210 1.00 0.53 N ATOM 194 CA ILE A 26 3.431 -2.642 7.101 1.00 0.53 C ATOM 195 C ILE A 26 3.073 -2.306 8.547 1.00 0.51 C ATOM 196 O ILE A 26 2.440 -3.101 9.236 1.00 0.53 O ATOM 197 CB ILE A 26 4.951 -2.933 6.988 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.261 -3.579 5.634 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.441 -3.813 8.136 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.732 -3.848 5.401 1.00 0.78 C ATOM 0 H ILE A 26 3.793 -1.198 5.627 1.00 0.53 H new ATOM 0 HA ILE A 26 2.885 -3.536 6.798 1.00 0.53 H new ATOM 0 HB ILE A 26 5.485 -1.985 7.057 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.714 -4.519 5.558 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.891 -2.930 4.840 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.510 -3.996 8.024 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.257 -3.309 9.085 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.907 -4.763 8.120 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.867 -4.306 4.421 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.285 -2.909 5.443 1.00 0.78 H new ATOM 0 HD13 ILE A 26 7.105 -4.523 6.171 1.00 0.78 H new ATOM 212 N GLN A 27 3.452 -1.113 8.987 1.00 0.54 N ATOM 213 CA GLN A 27 3.185 -0.674 10.352 1.00 0.62 C ATOM 214 C GLN A 27 1.698 -0.444 10.594 1.00 0.55 C ATOM 215 O GLN A 27 1.130 -0.965 11.557 1.00 0.57 O ATOM 216 CB GLN A 27 3.959 0.606 10.659 1.00 0.79 C ATOM 217 CG GLN A 27 5.455 0.395 10.777 1.00 0.89 C ATOM 218 CD GLN A 27 5.821 -0.566 11.893 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.011 -0.161 13.039 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.928 -1.845 11.565 1.00 1.34 N ATOM 0 H GLN A 27 3.948 -0.429 8.416 1.00 0.54 H new ATOM 0 HA GLN A 27 3.516 -1.470 11.019 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.764 1.336 9.874 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.586 1.032 11.590 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.840 0.012 9.832 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.941 1.354 10.954 1.00 0.89 H new ATOM 0 HE21 GLN A 27 5.762 -2.140 10.603 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.176 -2.534 12.275 1.00 1.34 H new ATOM 229 N PHE A 28 1.070 0.332 9.717 1.00 0.52 N ATOM 230 CA PHE A 28 -0.336 0.679 9.877 1.00 0.51 C ATOM 231 C PHE A 28 -1.208 -0.570 9.879 1.00 0.43 C ATOM 232 O PHE A 28 -2.043 -0.749 10.763 1.00 0.42 O ATOM 233 CB PHE A 28 -0.782 1.637 8.769 1.00 0.60 C ATOM 234 CG PHE A 28 -2.218 2.071 8.883 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.648 2.809 9.974 1.00 1.62 C ATOM 236 CD2 PHE A 28 -3.138 1.737 7.902 1.00 1.60 C ATOM 237 CE1 PHE A 28 -3.966 3.207 10.084 1.00 1.95 C ATOM 238 CE2 PHE A 28 -4.458 2.133 8.006 1.00 1.98 C ATOM 239 CZ PHE A 28 -4.873 2.869 9.098 1.00 1.83 C ATOM 0 H PHE A 28 1.512 0.732 8.889 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.453 1.179 10.839 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.143 2.520 8.786 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.634 1.155 7.803 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.944 3.076 10.748 1.00 1.62 H new ATOM 0 HD2 PHE A 28 -2.820 1.160 7.046 1.00 1.60 H new ATOM 0 HE1 PHE A 28 -4.287 3.782 10.940 1.00 1.95 H new ATOM 0 HE2 PHE A 28 -5.164 1.867 7.234 1.00 1.98 H new ATOM 0 HZ PHE A 28 -5.904 3.180 9.181 1.00 1.83 H new ATOM 249 N LEU A 29 -0.997 -1.442 8.904 1.00 0.45 N ATOM 250 CA LEU A 29 -1.773 -2.673 8.804 1.00 0.45 C ATOM 251 C LEU A 29 -1.430 -3.638 9.931 1.00 0.45 C ATOM 252 O LEU A 29 -2.261 -4.446 10.322 1.00 0.48 O ATOM 253 CB LEU A 29 -1.564 -3.350 7.447 1.00 0.53 C ATOM 254 CG LEU A 29 -2.513 -2.901 6.330 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.452 -1.395 6.128 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.182 -3.628 5.036 1.00 0.70 C ATOM 0 H LEU A 29 -0.297 -1.322 8.172 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.824 -2.400 8.896 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.539 -3.167 7.124 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.670 -4.427 7.578 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.531 -3.156 6.626 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.136 -1.107 5.329 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.740 -0.892 7.051 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.437 -1.105 5.858 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.863 -3.301 4.250 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.156 -3.403 4.744 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.289 -4.702 5.185 1.00 0.70 H new ATOM 268 N HIS A 30 -0.211 -3.550 10.453 1.00 0.47 N ATOM 269 CA HIS A 30 0.203 -4.398 11.569 1.00 0.53 C ATOM 270 C HIS A 30 -0.579 -4.034 12.825 1.00 0.47 C ATOM 271 O HIS A 30 -1.129 -4.903 13.502 1.00 0.49 O ATOM 272 CB HIS A 30 1.707 -4.251 11.827 1.00 0.67 C ATOM 273 CG HIS A 30 2.244 -5.190 12.863 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.585 -4.792 14.136 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.513 -6.515 12.801 1.00 1.18 C ATOM 276 CE1 HIS A 30 3.042 -5.830 14.812 1.00 1.37 C ATOM 277 NE2 HIS A 30 3.009 -6.888 14.024 1.00 1.41 N ATOM 0 H HIS A 30 0.506 -2.903 10.124 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.006 -5.436 11.309 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.243 -4.414 10.892 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.913 -3.227 12.138 1.00 0.67 H new ATOM 0 HD2 HIS A 30 2.365 -7.159 11.947 1.00 1.18 H new ATOM 0 HE1 HIS A 30 3.385 -5.816 15.836 1.00 1.37 H new ATOM 0 HE2 HIS A 30 3.304 -7.830 14.282 1.00 1.41 H new ATOM 286 N ASP A 31 -0.630 -2.743 13.124 1.00 0.48 N ATOM 287 CA ASP A 31 -1.367 -2.254 14.283 1.00 0.51 C ATOM 288 C ASP A 31 -2.867 -2.415 14.070 1.00 0.45 C ATOM 289 O ASP A 31 -3.590 -2.864 14.961 1.00 0.49 O ATOM 290 CB ASP A 31 -1.026 -0.787 14.554 1.00 0.63 C ATOM 291 CG ASP A 31 -1.825 -0.210 15.704 1.00 1.24 C ATOM 292 OD1 ASP A 31 -1.479 -0.474 16.876 1.00 1.98 O ATOM 293 OD2 ASP A 31 -2.805 0.514 15.444 1.00 1.79 O ATOM 0 H ASP A 31 -0.169 -2.014 12.580 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.074 -2.846 15.150 1.00 0.51 H new ATOM 0 HB2 ASP A 31 0.038 -0.699 14.774 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.215 -0.201 13.654 1.00 0.63 H new ATOM 298 N GLN A 32 -3.323 -2.068 12.871 1.00 0.42 N ATOM 299 CA GLN A 32 -4.729 -2.203 12.506 1.00 0.43 C ATOM 300 C GLN A 32 -5.156 -3.669 12.560 1.00 0.38 C ATOM 301 O GLN A 32 -6.321 -3.982 12.816 1.00 0.43 O ATOM 302 CB GLN A 32 -4.956 -1.639 11.102 1.00 0.52 C ATOM 303 CG GLN A 32 -6.413 -1.615 10.674 1.00 0.57 C ATOM 304 CD GLN A 32 -6.633 -0.907 9.348 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.681 -0.309 9.127 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.664 -0.983 8.445 1.00 1.31 N ATOM 0 H GLN A 32 -2.734 -1.688 12.130 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.333 -1.641 13.219 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.559 -0.625 11.061 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.388 -2.233 10.387 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.780 -2.639 10.598 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -7.004 -1.121 11.445 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.805 -1.488 8.661 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.779 -0.536 7.535 1.00 1.31 H new ATOM 315 N LEU A 33 -4.199 -4.554 12.317 1.00 0.36 N ATOM 316 CA LEU A 33 -4.429 -5.990 12.384 1.00 0.42 C ATOM 317 C LEU A 33 -4.826 -6.382 13.798 1.00 0.46 C ATOM 318 O LEU A 33 -5.859 -7.017 14.016 1.00 0.54 O ATOM 319 CB LEU A 33 -3.151 -6.737 11.966 1.00 0.53 C ATOM 320 CG LEU A 33 -3.331 -8.174 11.471 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.663 -9.123 12.614 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.412 -8.220 10.412 1.00 0.83 C ATOM 0 H LEU A 33 -3.244 -4.297 12.068 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.237 -6.260 11.704 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.663 -6.163 11.178 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.471 -6.752 12.818 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.387 -8.504 11.037 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.784 -10.134 12.224 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -2.854 -9.110 13.344 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.589 -8.806 13.093 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.536 -9.245 10.063 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.351 -7.865 10.835 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -4.128 -7.583 9.574 1.00 0.83 H new ATOM 334 N ARG A 34 -4.005 -5.976 14.757 1.00 0.47 N ATOM 335 CA ARG A 34 -4.233 -6.306 16.155 1.00 0.58 C ATOM 336 C ARG A 34 -5.458 -5.569 16.685 1.00 0.58 C ATOM 337 O ARG A 34 -6.165 -6.064 17.566 1.00 0.69 O ATOM 338 CB ARG A 34 -3.000 -5.941 16.983 1.00 0.69 C ATOM 339 CG ARG A 34 -3.027 -6.478 18.405 1.00 1.40 C ATOM 340 CD ARG A 34 -3.111 -7.997 18.422 1.00 1.45 C ATOM 341 NE ARG A 34 -2.043 -8.615 17.636 1.00 2.17 N ATOM 342 CZ ARG A 34 -2.053 -9.883 17.228 1.00 2.52 C ATOM 343 NH1 ARG A 34 -3.063 -10.685 17.553 1.00 2.19 N ATOM 344 NH2 ARG A 34 -1.048 -10.347 16.500 1.00 3.49 N ATOM 0 H ARG A 34 -3.170 -5.414 14.589 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.413 -7.378 16.237 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.111 -6.321 16.479 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.907 -4.856 17.017 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -2.131 -6.156 18.935 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.880 -6.059 18.938 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.055 -8.351 19.451 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -4.078 -8.311 18.029 1.00 1.45 H new ATOM 0 HE ARG A 34 -1.240 -8.039 17.385 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.835 -10.330 18.117 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -3.066 -11.655 17.238 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -0.271 -9.734 16.254 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -1.052 -11.317 16.185 1.00 3.49 H new ATOM 358 N HIS A 35 -5.709 -4.390 16.134 1.00 0.53 N ATOM 359 CA HIS A 35 -6.826 -3.565 16.566 1.00 0.58 C ATOM 360 C HIS A 35 -8.151 -4.105 16.022 1.00 0.58 C ATOM 361 O HIS A 35 -9.214 -3.871 16.598 1.00 0.74 O ATOM 362 CB HIS A 35 -6.618 -2.119 16.109 1.00 0.59 C ATOM 363 CG HIS A 35 -7.455 -1.123 16.849 1.00 1.15 C ATOM 364 ND1 HIS A 35 -8.490 -0.427 16.270 1.00 1.98 N ATOM 365 CD2 HIS A 35 -7.392 -0.698 18.132 1.00 1.61 C ATOM 366 CE1 HIS A 35 -9.026 0.382 17.160 1.00 2.68 C ATOM 367 NE2 HIS A 35 -8.381 0.238 18.300 1.00 2.42 N ATOM 0 H HIS A 35 -5.151 -3.983 15.384 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.870 -3.593 17.655 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -5.567 -1.857 16.231 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -6.843 -2.049 15.045 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -6.693 -1.033 18.884 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -9.855 1.051 16.985 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -8.584 0.740 19.165 1.00 2.42 H new ATOM 376 N GLY A 36 -8.073 -4.833 14.912 1.00 0.49 N ATOM 377 CA GLY A 36 -9.259 -5.419 14.313 1.00 0.51 C ATOM 378 C GLY A 36 -9.969 -4.456 13.385 1.00 0.47 C ATOM 379 O GLY A 36 -11.197 -4.404 13.357 1.00 0.53 O ATOM 0 H GLY A 36 -7.204 -5.028 14.414 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.979 -6.315 13.759 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.944 -5.733 15.101 1.00 0.51 H new ATOM 383 N GLY A 37 -9.191 -3.698 12.621 1.00 0.41 N ATOM 384 CA GLY A 37 -9.754 -2.677 11.753 1.00 0.40 C ATOM 385 C GLY A 37 -10.663 -3.235 10.672 1.00 0.39 C ATOM 386 O GLY A 37 -11.729 -2.679 10.403 1.00 0.52 O ATOM 0 H GLY A 37 -8.174 -3.772 12.586 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.317 -1.966 12.359 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.942 -2.123 11.283 1.00 0.40 H new ATOM 390 N LEU A 38 -10.252 -4.332 10.053 1.00 0.36 N ATOM 391 CA LEU A 38 -11.024 -4.923 8.963 1.00 0.41 C ATOM 392 C LEU A 38 -11.767 -6.167 9.439 1.00 0.49 C ATOM 393 O LEU A 38 -11.752 -6.486 10.629 1.00 0.83 O ATOM 394 CB LEU A 38 -10.126 -5.274 7.768 1.00 0.44 C ATOM 395 CG LEU A 38 -9.573 -4.093 6.953 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.693 -3.157 6.523 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.514 -3.335 7.733 1.00 0.47 C ATOM 0 H LEU A 38 -9.393 -4.831 10.283 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.752 -4.180 8.637 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.283 -5.859 8.135 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.691 -5.918 7.094 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.105 -4.501 6.057 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.276 -2.330 5.948 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.407 -3.703 5.907 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.200 -2.766 7.405 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.142 -2.506 7.131 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -8.948 -2.948 8.655 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.690 -4.006 7.975 1.00 0.47 H new ATOM 409 N SER A 39 -12.407 -6.867 8.511 1.00 0.47 N ATOM 410 CA SER A 39 -13.177 -8.059 8.844 1.00 0.54 C ATOM 411 C SER A 39 -12.253 -9.266 9.075 1.00 0.48 C ATOM 412 O SER A 39 -11.029 -9.122 9.109 1.00 0.46 O ATOM 413 CB SER A 39 -14.184 -8.347 7.724 1.00 0.67 C ATOM 414 OG SER A 39 -15.160 -9.288 8.135 1.00 1.42 O ATOM 0 H SER A 39 -12.408 -6.629 7.519 1.00 0.47 H new ATOM 0 HA SER A 39 -13.720 -7.881 9.772 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.673 -7.420 7.426 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.658 -8.726 6.848 1.00 0.67 H new ATOM 0 HG SER A 39 -15.246 -9.265 9.111 1.00 1.42 H new ATOM 420 N SER A 40 -12.839 -10.451 9.220 1.00 0.60 N ATOM 421 CA SER A 40 -12.087 -11.652 9.578 1.00 0.61 C ATOM 422 C SER A 40 -11.139 -12.094 8.458 1.00 0.53 C ATOM 423 O SER A 40 -9.926 -12.175 8.665 1.00 0.50 O ATOM 424 CB SER A 40 -13.058 -12.776 9.935 1.00 0.77 C ATOM 425 OG SER A 40 -13.933 -12.373 10.977 1.00 1.63 O ATOM 0 H SER A 40 -13.839 -10.607 9.094 1.00 0.60 H new ATOM 0 HA SER A 40 -11.467 -11.416 10.443 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.637 -13.056 9.055 1.00 0.77 H new ATOM 0 HB3 SER A 40 -12.500 -13.660 10.244 1.00 0.77 H new ATOM 0 HG SER A 40 -14.548 -13.106 11.190 1.00 1.63 H new ATOM 431 N ASP A 41 -11.689 -12.373 7.277 1.00 0.57 N ATOM 432 CA ASP A 41 -10.875 -12.795 6.133 1.00 0.58 C ATOM 433 C ASP A 41 -9.914 -11.684 5.746 1.00 0.53 C ATOM 434 O ASP A 41 -8.777 -11.930 5.336 1.00 0.56 O ATOM 435 CB ASP A 41 -11.749 -13.150 4.923 1.00 0.71 C ATOM 436 CG ASP A 41 -12.678 -14.321 5.177 1.00 1.25 C ATOM 437 OD1 ASP A 41 -12.190 -15.467 5.267 1.00 2.20 O ATOM 438 OD2 ASP A 41 -13.904 -14.102 5.271 1.00 1.69 O ATOM 0 H ASP A 41 -12.689 -12.316 7.086 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.319 -13.684 6.430 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.342 -12.279 4.644 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.106 -13.383 4.075 1.00 0.71 H new ATOM 443 N ALA A 42 -10.388 -10.457 5.892 1.00 0.51 N ATOM 444 CA ALA A 42 -9.596 -9.278 5.597 1.00 0.51 C ATOM 445 C ALA A 42 -8.400 -9.179 6.534 1.00 0.47 C ATOM 446 O ALA A 42 -7.314 -8.768 6.129 1.00 0.52 O ATOM 447 CB ALA A 42 -10.466 -8.042 5.711 1.00 0.54 C ATOM 0 H ALA A 42 -11.332 -10.252 6.218 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.215 -9.355 4.579 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.871 -7.156 5.489 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.291 -8.111 5.002 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.863 -7.968 6.724 1.00 0.54 H new ATOM 453 N GLN A 43 -8.612 -9.568 7.785 1.00 0.44 N ATOM 454 CA GLN A 43 -7.559 -9.567 8.790 1.00 0.45 C ATOM 455 C GLN A 43 -6.435 -10.511 8.365 1.00 0.45 C ATOM 456 O GLN A 43 -5.265 -10.130 8.313 1.00 0.48 O ATOM 457 CB GLN A 43 -8.137 -10.009 10.138 1.00 0.49 C ATOM 458 CG GLN A 43 -7.295 -9.614 11.334 1.00 0.82 C ATOM 459 CD GLN A 43 -7.820 -10.191 12.632 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.414 -11.274 13.052 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.734 -9.481 13.271 1.00 1.12 N ATOM 0 H GLN A 43 -9.516 -9.892 8.130 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.154 -8.560 8.888 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.133 -9.581 10.252 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.255 -11.093 10.133 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.270 -9.951 11.179 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -7.265 -8.527 11.410 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.044 -8.587 12.889 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.129 -9.827 14.146 1.00 1.12 H new ATOM 470 N GLU A 44 -6.815 -11.736 8.025 1.00 0.49 N ATOM 471 CA GLU A 44 -5.863 -12.739 7.560 1.00 0.54 C ATOM 472 C GLU A 44 -5.107 -12.229 6.335 1.00 0.51 C ATOM 473 O GLU A 44 -3.907 -12.457 6.187 1.00 0.50 O ATOM 474 CB GLU A 44 -6.596 -14.036 7.211 1.00 0.68 C ATOM 475 CG GLU A 44 -7.405 -14.616 8.362 1.00 1.20 C ATOM 476 CD GLU A 44 -6.552 -14.968 9.563 1.00 1.65 C ATOM 477 OE1 GLU A 44 -5.996 -16.083 9.595 1.00 2.36 O ATOM 478 OE2 GLU A 44 -6.442 -14.133 10.485 1.00 2.20 O ATOM 0 H GLU A 44 -7.781 -12.061 8.063 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.148 -12.934 8.359 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.263 -13.850 6.369 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.867 -14.777 6.883 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.167 -13.897 8.662 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.927 -15.509 8.019 1.00 1.20 H new ATOM 485 N SER A 45 -5.823 -11.516 5.476 1.00 0.54 N ATOM 486 CA SER A 45 -5.255 -10.992 4.245 1.00 0.59 C ATOM 487 C SER A 45 -4.199 -9.917 4.518 1.00 0.55 C ATOM 488 O SER A 45 -3.236 -9.787 3.761 1.00 0.58 O ATOM 489 CB SER A 45 -6.367 -10.432 3.357 1.00 0.71 C ATOM 490 OG SER A 45 -7.322 -11.438 3.046 1.00 1.04 O ATOM 0 H SER A 45 -6.807 -11.287 5.613 1.00 0.54 H new ATOM 0 HA SER A 45 -4.758 -11.813 3.729 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.859 -9.602 3.864 1.00 0.71 H new ATOM 0 HB3 SER A 45 -5.938 -10.035 2.437 1.00 0.71 H new ATOM 0 HG SER A 45 -7.781 -11.718 3.865 1.00 1.04 H new ATOM 496 N LEU A 46 -4.367 -9.157 5.600 1.00 0.56 N ATOM 497 CA LEU A 46 -3.405 -8.110 5.943 1.00 0.60 C ATOM 498 C LEU A 46 -2.037 -8.707 6.210 1.00 0.50 C ATOM 499 O LEU A 46 -1.048 -8.294 5.610 1.00 0.48 O ATOM 500 CB LEU A 46 -3.832 -7.320 7.181 1.00 0.74 C ATOM 501 CG LEU A 46 -5.100 -6.480 7.049 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.226 -5.518 8.221 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.114 -5.718 5.732 1.00 1.14 C ATOM 0 H LEU A 46 -5.150 -9.245 6.247 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.365 -7.435 5.088 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.972 -8.023 8.002 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.013 -6.659 7.463 1.00 0.74 H new ATOM 0 HG LEU A 46 -5.956 -7.155 7.059 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.135 -4.927 8.111 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.271 -6.083 9.152 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.362 -4.854 8.241 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.028 -5.128 5.663 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.250 -5.056 5.686 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.075 -6.424 4.903 1.00 1.14 H new ATOM 515 N GLU A 47 -1.995 -9.687 7.109 1.00 0.49 N ATOM 516 CA GLU A 47 -0.736 -10.296 7.520 1.00 0.48 C ATOM 517 C GLU A 47 0.032 -10.825 6.310 1.00 0.43 C ATOM 518 O GLU A 47 1.238 -10.600 6.181 1.00 0.45 O ATOM 519 CB GLU A 47 -0.985 -11.425 8.519 1.00 0.55 C ATOM 520 CG GLU A 47 0.293 -12.013 9.093 1.00 0.81 C ATOM 521 CD GLU A 47 0.037 -13.169 10.032 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.072 -14.314 9.551 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.046 -12.942 11.257 1.00 1.51 O ATOM 0 H GLU A 47 -2.820 -10.076 7.566 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.133 -9.528 8.004 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.602 -11.049 9.335 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.552 -12.216 8.029 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.931 -12.349 8.276 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.839 -11.234 9.624 1.00 0.81 H new ATOM 530 N VAL A 48 -0.682 -11.504 5.418 1.00 0.41 N ATOM 531 CA VAL A 48 -0.080 -12.035 4.202 1.00 0.42 C ATOM 532 C VAL A 48 0.469 -10.903 3.339 1.00 0.41 C ATOM 533 O VAL A 48 1.614 -10.953 2.884 1.00 0.43 O ATOM 534 CB VAL A 48 -1.095 -12.855 3.375 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.415 -13.512 2.186 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.779 -13.901 4.239 1.00 0.49 C ATOM 0 H VAL A 48 -1.678 -11.699 5.515 1.00 0.41 H new ATOM 0 HA VAL A 48 0.733 -12.694 4.507 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.856 -12.169 3.002 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.148 -14.084 1.618 1.00 0.49 H new ATOM 0 HG12 VAL A 48 0.021 -12.745 1.546 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.371 -14.179 2.539 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.489 -14.465 3.634 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.031 -14.580 4.649 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.308 -13.409 5.055 1.00 0.49 H new ATOM 546 N ALA A 49 -0.347 -9.871 3.142 1.00 0.41 N ATOM 547 CA ALA A 49 0.038 -8.727 2.326 1.00 0.43 C ATOM 548 C ALA A 49 1.261 -8.021 2.900 1.00 0.43 C ATOM 549 O ALA A 49 2.160 -7.626 2.158 1.00 0.48 O ATOM 550 CB ALA A 49 -1.122 -7.753 2.200 1.00 0.44 C ATOM 0 H ALA A 49 -1.284 -9.805 3.540 1.00 0.41 H new ATOM 0 HA ALA A 49 0.299 -9.097 1.335 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.819 -6.904 1.588 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -1.969 -8.254 1.731 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.411 -7.401 3.190 1.00 0.44 H new ATOM 556 N ILE A 50 1.290 -7.873 4.221 1.00 0.40 N ATOM 557 CA ILE A 50 2.415 -7.237 4.903 1.00 0.40 C ATOM 558 C ILE A 50 3.723 -7.945 4.563 1.00 0.38 C ATOM 559 O ILE A 50 4.695 -7.312 4.148 1.00 0.41 O ATOM 560 CB ILE A 50 2.216 -7.237 6.438 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.007 -6.377 6.821 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.469 -6.735 7.144 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.678 -6.409 8.301 1.00 0.61 C ATOM 0 H ILE A 50 0.545 -8.186 4.843 1.00 0.40 H new ATOM 0 HA ILE A 50 2.462 -6.205 4.556 1.00 0.40 H new ATOM 0 HB ILE A 50 2.029 -8.262 6.758 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.197 -5.346 6.523 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.138 -6.717 6.258 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.307 -6.743 8.222 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.310 -7.384 6.898 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.688 -5.718 6.818 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.189 -5.777 8.495 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.455 -7.433 8.602 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.531 -6.040 8.871 1.00 0.61 H new ATOM 575 N GLN A 51 3.729 -9.265 4.713 1.00 0.39 N ATOM 576 CA GLN A 51 4.923 -10.060 4.451 1.00 0.43 C ATOM 577 C GLN A 51 5.311 -9.988 2.976 1.00 0.43 C ATOM 578 O GLN A 51 6.495 -9.943 2.627 1.00 0.47 O ATOM 579 CB GLN A 51 4.694 -11.518 4.859 1.00 0.50 C ATOM 580 CG GLN A 51 4.232 -11.689 6.298 1.00 0.78 C ATOM 581 CD GLN A 51 5.187 -11.077 7.306 1.00 1.02 C ATOM 582 OE1 GLN A 51 6.396 -11.011 7.084 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.646 -10.618 8.422 1.00 1.35 N ATOM 0 H GLN A 51 2.920 -9.807 5.015 1.00 0.39 H new ATOM 0 HA GLN A 51 5.739 -9.649 5.045 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.951 -11.959 4.194 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.620 -12.075 4.716 1.00 0.50 H new ATOM 0 HG2 GLN A 51 3.249 -11.233 6.414 1.00 0.78 H new ATOM 0 HG3 GLN A 51 4.118 -12.751 6.513 1.00 0.78 H new ATOM 0 HE21 GLN A 51 3.639 -10.691 8.568 1.00 1.35 H new ATOM 0 HE22 GLN A 51 5.235 -10.191 9.136 1.00 1.35 H new ATOM 592 N CYS A 52 4.303 -9.964 2.114 1.00 0.45 N ATOM 593 CA CYS A 52 4.526 -9.907 0.679 1.00 0.53 C ATOM 594 C CYS A 52 5.121 -8.565 0.264 1.00 0.53 C ATOM 595 O CYS A 52 6.109 -8.524 -0.463 1.00 0.60 O ATOM 596 CB CYS A 52 3.221 -10.165 -0.070 1.00 0.59 C ATOM 597 SG CYS A 52 2.528 -11.808 0.216 1.00 0.69 S ATOM 0 H CYS A 52 3.320 -9.983 2.387 1.00 0.45 H new ATOM 0 HA CYS A 52 5.243 -10.686 0.418 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.488 -9.415 0.227 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.394 -10.035 -1.138 1.00 0.59 H new ATOM 0 HG CYS A 52 2.039 -11.869 1.419 1.00 0.69 H new ATOM 603 N LEU A 53 4.533 -7.471 0.740 1.00 0.50 N ATOM 604 CA LEU A 53 5.016 -6.136 0.398 1.00 0.54 C ATOM 605 C LEU A 53 6.412 -5.903 0.961 1.00 0.51 C ATOM 606 O LEU A 53 7.241 -5.245 0.329 1.00 0.58 O ATOM 607 CB LEU A 53 4.055 -5.063 0.913 1.00 0.63 C ATOM 608 CG LEU A 53 2.666 -5.069 0.271 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.802 -3.972 0.871 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.767 -4.903 -1.241 1.00 0.61 C ATOM 0 H LEU A 53 3.724 -7.482 1.361 1.00 0.50 H new ATOM 0 HA LEU A 53 5.065 -6.067 -0.689 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.940 -5.187 1.990 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.508 -4.085 0.752 1.00 0.63 H new ATOM 0 HG LEU A 53 2.198 -6.032 0.476 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.817 -3.989 0.405 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.698 -4.136 1.944 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.270 -3.003 0.696 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.767 -4.910 -1.675 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.256 -3.956 -1.471 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.350 -5.724 -1.659 1.00 0.61 H new ATOM 622 N GLU A 54 6.664 -6.457 2.142 1.00 0.47 N ATOM 623 CA GLU A 54 7.983 -6.391 2.756 1.00 0.51 C ATOM 624 C GLU A 54 9.023 -6.999 1.818 1.00 0.56 C ATOM 625 O GLU A 54 10.036 -6.375 1.499 1.00 0.65 O ATOM 626 CB GLU A 54 7.972 -7.136 4.094 1.00 0.56 C ATOM 627 CG GLU A 54 9.289 -7.066 4.847 1.00 0.73 C ATOM 628 CD GLU A 54 9.268 -7.860 6.135 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.468 -9.092 6.076 1.00 1.65 O ATOM 630 OE2 GLU A 54 9.054 -7.262 7.214 1.00 1.62 O ATOM 0 H GLU A 54 5.968 -6.958 2.694 1.00 0.47 H new ATOM 0 HA GLU A 54 8.243 -5.348 2.938 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.183 -6.723 4.722 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.722 -8.182 3.915 1.00 0.56 H new ATOM 0 HG2 GLU A 54 10.089 -7.440 4.208 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.520 -6.025 5.071 1.00 0.73 H new ATOM 637 N THR A 55 8.736 -8.208 1.353 1.00 0.61 N ATOM 638 CA THR A 55 9.623 -8.919 0.444 1.00 0.78 C ATOM 639 C THR A 55 9.682 -8.222 -0.919 1.00 0.83 C ATOM 640 O THR A 55 10.727 -8.193 -1.574 1.00 0.98 O ATOM 641 CB THR A 55 9.141 -10.371 0.253 1.00 0.95 C ATOM 642 OG1 THR A 55 8.897 -10.973 1.534 1.00 1.00 O ATOM 643 CG2 THR A 55 10.169 -11.195 -0.511 1.00 1.16 C ATOM 0 H THR A 55 7.887 -8.720 1.594 1.00 0.61 H new ATOM 0 HA THR A 55 10.621 -8.921 0.883 1.00 0.78 H new ATOM 0 HB THR A 55 8.218 -10.350 -0.327 1.00 0.95 H new ATOM 0 HG1 THR A 55 8.035 -10.663 1.882 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.802 -12.214 -0.631 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.334 -10.751 -1.493 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.108 -11.210 0.043 1.00 1.16 H new ATOM 651 N ALA A 56 8.555 -7.646 -1.319 1.00 0.77 N ATOM 652 CA ALA A 56 8.414 -7.020 -2.627 1.00 0.88 C ATOM 653 C ALA A 56 9.373 -5.851 -2.811 1.00 0.88 C ATOM 654 O ALA A 56 10.259 -5.892 -3.664 1.00 1.15 O ATOM 655 CB ALA A 56 6.982 -6.555 -2.829 1.00 0.90 C ATOM 0 H ALA A 56 7.713 -7.600 -0.745 1.00 0.77 H new ATOM 0 HA ALA A 56 8.666 -7.770 -3.377 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.886 -6.088 -3.809 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.309 -7.411 -2.767 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.722 -5.832 -2.056 1.00 0.90 H new ATOM 661 N PHE A 57 9.204 -4.815 -2.003 1.00 0.76 N ATOM 662 CA PHE A 57 10.004 -3.612 -2.137 1.00 1.05 C ATOM 663 C PHE A 57 11.402 -3.812 -1.562 1.00 1.56 C ATOM 664 O PHE A 57 12.243 -2.914 -1.620 1.00 2.05 O ATOM 665 CB PHE A 57 9.317 -2.448 -1.430 1.00 1.04 C ATOM 666 CG PHE A 57 7.969 -2.083 -1.987 1.00 0.93 C ATOM 667 CD1 PHE A 57 7.850 -1.157 -3.011 1.00 1.47 C ATOM 668 CD2 PHE A 57 6.818 -2.644 -1.463 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.605 -0.798 -3.495 1.00 1.46 C ATOM 670 CE2 PHE A 57 5.574 -2.293 -1.947 1.00 1.50 C ATOM 671 CZ PHE A 57 5.466 -1.365 -2.960 1.00 0.92 C ATOM 0 H PHE A 57 8.519 -4.786 -1.248 1.00 0.76 H new ATOM 0 HA PHE A 57 10.101 -3.387 -3.199 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.204 -2.697 -0.375 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.966 -1.574 -1.483 1.00 1.04 H new ATOM 0 HD1 PHE A 57 8.738 -0.711 -3.435 1.00 1.47 H new ATOM 0 HD2 PHE A 57 6.894 -3.367 -0.664 1.00 1.50 H new ATOM 0 HE1 PHE A 57 6.524 -0.074 -4.292 1.00 1.46 H new ATOM 0 HE2 PHE A 57 4.686 -2.745 -1.532 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.493 -1.082 -3.334 1.00 0.92 H new ATOM 681 N GLY A 58 11.638 -4.995 -1.002 1.00 1.71 N ATOM 682 CA GLY A 58 12.929 -5.304 -0.421 1.00 2.29 C ATOM 683 C GLY A 58 13.168 -4.531 0.855 1.00 2.05 C ATOM 684 O GLY A 58 14.297 -4.138 1.156 1.00 2.60 O ATOM 0 H GLY A 58 10.953 -5.748 -0.941 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.989 -6.373 -0.215 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.716 -5.073 -1.139 1.00 2.29 H new ATOM 688 N VAL A 59 12.105 -4.314 1.611 1.00 1.35 N ATOM 689 CA VAL A 59 12.187 -3.523 2.826 1.00 1.13 C ATOM 690 C VAL A 59 12.255 -4.420 4.052 1.00 1.04 C ATOM 691 O VAL A 59 11.790 -5.558 4.032 1.00 1.22 O ATOM 692 CB VAL A 59 11.000 -2.540 2.956 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.030 -1.517 1.834 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.669 -3.276 2.957 1.00 1.00 C ATOM 0 H VAL A 59 11.174 -4.675 1.404 1.00 1.35 H new ATOM 0 HA VAL A 59 13.103 -2.936 2.763 1.00 1.13 H new ATOM 0 HB VAL A 59 11.102 -2.023 3.910 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.187 -0.834 1.942 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.962 -0.954 1.880 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.962 -2.028 0.874 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.855 -2.557 3.050 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.559 -3.830 2.025 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.637 -3.970 3.797 1.00 1.00 H new ATOM 704 N THR A 60 12.864 -3.909 5.102 1.00 1.18 N ATOM 705 CA THR A 60 13.004 -4.636 6.350 1.00 1.30 C ATOM 706 C THR A 60 12.716 -3.706 7.523 1.00 1.16 C ATOM 707 O THR A 60 12.253 -2.584 7.323 1.00 1.15 O ATOM 708 CB THR A 60 14.424 -5.230 6.498 1.00 1.94 C ATOM 709 OG1 THR A 60 15.408 -4.209 6.284 1.00 2.24 O ATOM 710 CG2 THR A 60 14.650 -6.371 5.519 1.00 2.38 C ATOM 0 H THR A 60 13.277 -2.976 5.116 1.00 1.18 H new ATOM 0 HA THR A 60 12.288 -5.458 6.344 1.00 1.30 H new ATOM 0 HB THR A 60 14.519 -5.623 7.510 1.00 1.94 H new ATOM 0 HG1 THR A 60 16.294 -4.553 6.523 1.00 2.24 H new ATOM 0 HG21 THR A 60 15.657 -6.767 5.648 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.923 -7.161 5.707 1.00 2.38 H new ATOM 0 HG23 THR A 60 14.532 -6.004 4.499 1.00 2.38 H new ATOM 718 N VAL A 61 12.994 -4.152 8.740 1.00 1.41 N ATOM 719 CA VAL A 61 12.832 -3.295 9.908 1.00 1.59 C ATOM 720 C VAL A 61 13.892 -2.180 9.902 1.00 1.83 C ATOM 721 O VAL A 61 13.796 -1.189 10.628 1.00 2.11 O ATOM 722 CB VAL A 61 12.887 -4.117 11.217 1.00 1.81 C ATOM 723 CG1 VAL A 61 14.248 -4.776 11.393 1.00 2.21 C ATOM 724 CG2 VAL A 61 12.538 -3.259 12.425 1.00 1.95 C ATOM 0 H VAL A 61 13.330 -5.093 8.944 1.00 1.41 H new ATOM 0 HA VAL A 61 11.847 -2.830 9.859 1.00 1.59 H new ATOM 0 HB VAL A 61 12.138 -4.905 11.142 1.00 1.81 H new ATOM 0 HG11 VAL A 61 14.258 -5.347 12.321 1.00 2.21 H new ATOM 0 HG12 VAL A 61 14.440 -5.444 10.554 1.00 2.21 H new ATOM 0 HG13 VAL A 61 15.022 -4.009 11.430 1.00 2.21 H new ATOM 0 HG21 VAL A 61 12.586 -3.866 13.329 1.00 1.95 H new ATOM 0 HG22 VAL A 61 13.248 -2.435 12.503 1.00 1.95 H new ATOM 0 HG23 VAL A 61 11.530 -2.860 12.309 1.00 1.95 H new ATOM 734 N GLU A 62 14.888 -2.327 9.037 1.00 1.89 N ATOM 735 CA GLU A 62 15.864 -1.268 8.813 1.00 2.16 C ATOM 736 C GLU A 62 15.161 -0.043 8.238 1.00 1.64 C ATOM 737 O GLU A 62 15.545 1.102 8.496 1.00 1.65 O ATOM 738 CB GLU A 62 16.948 -1.750 7.851 1.00 2.87 C ATOM 739 CG GLU A 62 17.695 -2.971 8.349 1.00 3.13 C ATOM 740 CD GLU A 62 18.539 -3.609 7.270 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.707 -3.205 7.103 1.00 4.01 O ATOM 742 OE2 GLU A 62 18.039 -4.524 6.586 1.00 3.98 O ATOM 0 H GLU A 62 15.041 -3.168 8.480 1.00 1.89 H new ATOM 0 HA GLU A 62 16.332 -1.003 9.761 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.493 -1.980 6.888 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.659 -0.942 7.682 1.00 2.87 H new ATOM 0 HG2 GLU A 62 18.333 -2.687 9.186 1.00 3.13 H new ATOM 0 HG3 GLU A 62 16.980 -3.702 8.727 1.00 3.13 H new ATOM 749 N ASP A 63 14.101 -0.298 7.481 1.00 1.38 N ATOM 750 CA ASP A 63 13.297 0.763 6.904 1.00 1.61 C ATOM 751 C ASP A 63 12.410 1.394 7.973 1.00 1.60 C ATOM 752 O ASP A 63 11.761 2.412 7.742 1.00 1.95 O ATOM 753 CB ASP A 63 12.458 0.227 5.743 1.00 1.89 C ATOM 754 CG ASP A 63 13.322 -0.264 4.597 1.00 2.88 C ATOM 755 OD1 ASP A 63 13.724 -1.443 4.610 1.00 3.35 O ATOM 756 OD2 ASP A 63 13.622 0.531 3.685 1.00 3.62 O ATOM 0 H ASP A 63 13.779 -1.239 7.253 1.00 1.38 H new ATOM 0 HA ASP A 63 13.961 1.534 6.513 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.828 -0.589 6.097 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.792 1.012 5.384 1.00 1.89 H new ATOM 761 N SER A 64 12.397 0.783 9.153 1.00 1.54 N ATOM 762 CA SER A 64 11.715 1.356 10.301 1.00 1.81 C ATOM 763 C SER A 64 12.601 2.422 10.926 1.00 1.74 C ATOM 764 O SER A 64 12.117 3.384 11.518 1.00 1.93 O ATOM 765 CB SER A 64 11.371 0.274 11.334 1.00 2.41 C ATOM 766 OG SER A 64 10.569 0.793 12.384 1.00 2.91 O ATOM 0 H SER A 64 12.853 -0.111 9.337 1.00 1.54 H new ATOM 0 HA SER A 64 10.779 1.806 9.969 1.00 1.81 H new ATOM 0 HB2 SER A 64 10.845 -0.545 10.843 1.00 2.41 H new ATOM 0 HB3 SER A 64 12.290 -0.141 11.748 1.00 2.41 H new ATOM 0 HG SER A 64 9.726 1.130 12.016 1.00 2.91 H new ATOM 772 N ASP A 65 13.909 2.245 10.790 1.00 1.69 N ATOM 773 CA ASP A 65 14.857 3.247 11.261 1.00 2.03 C ATOM 774 C ASP A 65 14.720 4.536 10.458 1.00 1.90 C ATOM 775 O ASP A 65 14.752 5.634 11.014 1.00 2.28 O ATOM 776 CB ASP A 65 16.294 2.737 11.175 1.00 2.26 C ATOM 777 CG ASP A 65 17.293 3.797 11.591 1.00 2.89 C ATOM 778 OD1 ASP A 65 17.332 4.142 12.792 1.00 3.46 O ATOM 779 OD2 ASP A 65 18.028 4.305 10.719 1.00 3.35 O ATOM 0 H ASP A 65 14.335 1.424 10.361 1.00 1.69 H new ATOM 0 HA ASP A 65 14.625 3.450 12.307 1.00 2.03 H new ATOM 0 HB2 ASP A 65 16.407 1.860 11.813 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.506 2.418 10.154 1.00 2.26 H new ATOM 784 N LEU A 66 14.551 4.401 9.148 1.00 1.52 N ATOM 785 CA LEU A 66 14.370 5.569 8.286 1.00 1.61 C ATOM 786 C LEU A 66 12.889 5.932 8.140 1.00 1.45 C ATOM 787 O LEU A 66 12.469 6.502 7.130 1.00 1.72 O ATOM 788 CB LEU A 66 15.038 5.351 6.915 1.00 1.77 C ATOM 789 CG LEU A 66 14.731 4.027 6.207 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.373 4.062 5.519 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.821 3.701 5.202 1.00 1.57 C ATOM 0 H LEU A 66 14.535 3.505 8.661 1.00 1.52 H new ATOM 0 HA LEU A 66 14.863 6.416 8.763 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.740 6.167 6.257 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.118 5.425 7.046 1.00 1.77 H new ATOM 0 HG LEU A 66 14.700 3.245 6.966 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.189 3.107 5.028 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.594 4.245 6.260 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.362 4.860 4.776 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.589 2.758 4.707 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.880 4.496 4.459 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.777 3.615 5.718 1.00 1.57 H new ATOM 803 N ALA A 67 12.111 5.616 9.170 1.00 1.30 N ATOM 804 CA ALA A 67 10.682 5.914 9.195 1.00 1.26 C ATOM 805 C ALA A 67 10.419 7.414 9.138 1.00 1.27 C ATOM 806 O ALA A 67 11.296 8.228 9.440 1.00 1.53 O ATOM 807 CB ALA A 67 10.057 5.339 10.450 1.00 1.48 C ATOM 0 H ALA A 67 12.452 5.147 10.009 1.00 1.30 H new ATOM 0 HA ALA A 67 10.233 5.457 8.313 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.991 5.565 10.462 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.199 4.258 10.465 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.531 5.779 11.327 1.00 1.48 H new ATOM 813 N LEU A 68 9.202 7.767 8.759 1.00 1.15 N ATOM 814 CA LEU A 68 8.786 9.158 8.696 1.00 1.28 C ATOM 815 C LEU A 68 8.032 9.537 9.971 1.00 1.55 C ATOM 816 O LEU A 68 7.541 8.655 10.676 1.00 1.55 O ATOM 817 CB LEU A 68 7.919 9.389 7.452 1.00 1.24 C ATOM 818 CG LEU A 68 8.665 9.285 6.117 1.00 1.18 C ATOM 819 CD1 LEU A 68 7.712 9.467 4.946 1.00 1.20 C ATOM 820 CD2 LEU A 68 9.786 10.312 6.052 1.00 1.18 C ATOM 0 H LEU A 68 8.478 7.102 8.488 1.00 1.15 H new ATOM 0 HA LEU A 68 9.667 9.795 8.620 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.105 8.664 7.454 1.00 1.24 H new ATOM 0 HB3 LEU A 68 7.465 10.378 7.522 1.00 1.24 H new ATOM 0 HG LEU A 68 9.100 8.288 6.050 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.266 9.389 4.011 1.00 1.20 H new ATOM 0 HD12 LEU A 68 6.944 8.694 4.979 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.242 10.449 5.008 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.305 10.224 5.098 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.367 11.314 6.146 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.490 10.135 6.865 1.00 1.18 H new ATOM 832 N PRO A 69 7.952 10.848 10.289 1.00 1.93 N ATOM 833 CA PRO A 69 7.334 11.350 11.530 1.00 2.35 C ATOM 834 C PRO A 69 6.019 10.661 11.897 1.00 2.24 C ATOM 835 O PRO A 69 5.838 10.225 13.035 1.00 2.61 O ATOM 836 CB PRO A 69 7.089 12.821 11.209 1.00 2.74 C ATOM 837 CG PRO A 69 8.197 13.185 10.287 1.00 2.56 C ATOM 838 CD PRO A 69 8.477 11.956 9.463 1.00 2.06 C ATOM 0 HA PRO A 69 7.973 11.166 12.393 1.00 2.35 H new ATOM 0 HB2 PRO A 69 6.116 12.969 10.740 1.00 2.74 H new ATOM 0 HB3 PRO A 69 7.105 13.433 12.111 1.00 2.74 H new ATOM 0 HG2 PRO A 69 7.915 14.024 9.651 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.083 13.491 10.844 1.00 2.56 H new ATOM 0 HD2 PRO A 69 7.980 12.003 8.494 1.00 2.06 H new ATOM 0 HD3 PRO A 69 9.543 11.839 9.269 1.00 2.06 H new ATOM 846 N GLN A 70 5.111 10.562 10.937 1.00 1.83 N ATOM 847 CA GLN A 70 3.818 9.940 11.180 1.00 1.81 C ATOM 848 C GLN A 70 3.593 8.798 10.201 1.00 1.42 C ATOM 849 O GLN A 70 4.427 8.554 9.326 1.00 1.30 O ATOM 850 CB GLN A 70 2.695 10.973 11.054 1.00 1.92 C ATOM 851 CG GLN A 70 2.445 11.456 9.631 1.00 1.65 C ATOM 852 CD GLN A 70 1.372 12.524 9.571 1.00 2.17 C ATOM 853 OE1 GLN A 70 1.237 13.336 10.485 1.00 2.65 O ATOM 854 NE2 GLN A 70 0.586 12.514 8.511 1.00 2.75 N ATOM 0 H GLN A 70 5.245 10.903 9.985 1.00 1.83 H new ATOM 0 HA GLN A 70 3.810 9.541 12.194 1.00 1.81 H new ATOM 0 HB2 GLN A 70 1.774 10.541 11.446 1.00 1.92 H new ATOM 0 HB3 GLN A 70 2.936 11.832 11.680 1.00 1.92 H new ATOM 0 HG2 GLN A 70 3.372 11.850 9.215 1.00 1.65 H new ATOM 0 HG3 GLN A 70 2.150 10.611 9.009 1.00 1.65 H new ATOM 0 HE21 GLN A 70 0.732 11.823 7.775 1.00 2.75 H new ATOM 0 HE22 GLN A 70 -0.167 13.197 8.428 1.00 2.75 H new ATOM 863 N THR A 71 2.476 8.099 10.344 1.00 1.36 N ATOM 864 CA THR A 71 2.134 7.041 9.411 1.00 1.13 C ATOM 865 C THR A 71 1.753 7.648 8.068 1.00 0.86 C ATOM 866 O THR A 71 1.122 8.706 8.000 1.00 0.83 O ATOM 867 CB THR A 71 0.975 6.164 9.928 1.00 1.23 C ATOM 868 OG1 THR A 71 -0.196 6.961 10.153 1.00 1.53 O ATOM 869 CG2 THR A 71 1.367 5.454 11.214 1.00 1.55 C ATOM 0 H THR A 71 1.798 8.245 11.091 1.00 1.36 H new ATOM 0 HA THR A 71 3.010 6.402 9.302 1.00 1.13 H new ATOM 0 HB THR A 71 0.755 5.415 9.167 1.00 1.23 H new ATOM 0 HG1 THR A 71 -0.923 6.390 10.479 1.00 1.53 H new ATOM 0 HG21 THR A 71 0.534 4.842 11.560 1.00 1.55 H new ATOM 0 HG22 THR A 71 2.233 4.818 11.029 1.00 1.55 H new ATOM 0 HG23 THR A 71 1.615 6.193 11.976 1.00 1.55 H new ATOM 877 N LEU A 72 2.154 6.984 6.999 1.00 0.80 N ATOM 878 CA LEU A 72 1.919 7.498 5.664 1.00 0.65 C ATOM 879 C LEU A 72 0.477 7.311 5.208 1.00 0.65 C ATOM 880 O LEU A 72 -0.021 8.160 4.489 1.00 0.66 O ATOM 881 CB LEU A 72 2.903 6.907 4.654 1.00 0.78 C ATOM 882 CG LEU A 72 4.316 7.499 4.716 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.256 9.006 4.537 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.003 7.157 6.033 1.00 1.79 C ATOM 0 H LEU A 72 2.643 6.089 7.030 1.00 0.80 H new ATOM 0 HA LEU A 72 2.094 8.573 5.712 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.967 5.831 4.816 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.505 7.055 3.650 1.00 0.78 H new ATOM 0 HG LEU A 72 4.901 7.061 3.907 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.264 9.418 4.582 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.811 9.240 3.570 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.649 9.443 5.330 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.003 7.591 6.045 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.422 7.561 6.862 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.076 6.074 6.135 1.00 1.79 H new ATOM 896 N PRO A 73 -0.228 6.215 5.580 1.00 0.75 N ATOM 897 CA PRO A 73 -1.679 6.127 5.360 1.00 0.84 C ATOM 898 C PRO A 73 -2.423 7.384 5.826 1.00 0.80 C ATOM 899 O PRO A 73 -3.436 7.765 5.241 1.00 0.82 O ATOM 900 CB PRO A 73 -2.074 4.908 6.190 1.00 1.03 C ATOM 901 CG PRO A 73 -0.879 4.027 6.106 1.00 1.07 C ATOM 902 CD PRO A 73 0.306 4.954 6.145 1.00 0.84 C ATOM 0 HA PRO A 73 -1.936 6.041 4.304 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.300 5.181 7.221 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.962 4.419 5.788 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.853 3.321 6.936 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.888 3.440 5.188 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.674 5.093 7.161 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.137 4.569 5.554 1.00 0.84 H new ATOM 910 N GLU A 74 -1.899 8.043 6.861 1.00 0.78 N ATOM 911 CA GLU A 74 -2.484 9.288 7.345 1.00 0.78 C ATOM 912 C GLU A 74 -2.149 10.436 6.387 1.00 0.64 C ATOM 913 O GLU A 74 -2.948 11.350 6.173 1.00 0.64 O ATOM 914 CB GLU A 74 -1.984 9.607 8.752 1.00 0.87 C ATOM 915 CG GLU A 74 -2.808 10.672 9.455 1.00 1.22 C ATOM 916 CD GLU A 74 -2.317 10.955 10.859 1.00 1.48 C ATOM 917 OE1 GLU A 74 -2.280 10.016 11.683 1.00 2.28 O ATOM 918 OE2 GLU A 74 -1.975 12.121 11.152 1.00 1.67 O ATOM 0 H GLU A 74 -1.074 7.735 7.376 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.567 9.169 7.386 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.995 8.695 9.350 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.947 9.938 8.695 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.779 11.592 8.872 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -3.849 10.353 9.496 1.00 1.22 H new ATOM 925 N ILE A 75 -0.954 10.385 5.811 1.00 0.58 N ATOM 926 CA ILE A 75 -0.574 11.315 4.754 1.00 0.53 C ATOM 927 C ILE A 75 -1.477 11.105 3.549 1.00 0.49 C ATOM 928 O ILE A 75 -1.920 12.057 2.909 1.00 0.53 O ATOM 929 CB ILE A 75 0.904 11.118 4.324 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.853 11.595 5.420 1.00 0.73 C ATOM 931 CG2 ILE A 75 1.202 11.839 3.012 1.00 0.68 C ATOM 932 CD1 ILE A 75 1.811 13.087 5.638 1.00 1.38 C ATOM 0 H ILE A 75 -0.231 9.709 6.058 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.684 12.328 5.141 1.00 0.53 H new ATOM 0 HB ILE A 75 1.062 10.051 4.165 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.601 11.091 6.353 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.871 11.301 5.163 1.00 0.73 H new ATOM 0 HG21 ILE A 75 2.245 11.681 2.739 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.558 11.445 2.226 1.00 0.68 H new ATOM 0 HG23 ILE A 75 1.016 12.906 3.133 1.00 0.68 H new ATOM 0 HD11 ILE A 75 2.509 13.359 6.430 1.00 1.38 H new ATOM 0 HD12 ILE A 75 2.091 13.597 4.717 1.00 1.38 H new ATOM 0 HD13 ILE A 75 0.802 13.384 5.925 1.00 1.38 H new ATOM 944 N PHE A 76 -1.761 9.842 3.270 1.00 0.50 N ATOM 945 CA PHE A 76 -2.561 9.471 2.119 1.00 0.56 C ATOM 946 C PHE A 76 -3.992 9.971 2.274 1.00 0.60 C ATOM 947 O PHE A 76 -4.552 10.550 1.347 1.00 0.72 O ATOM 948 CB PHE A 76 -2.549 7.950 1.914 1.00 0.65 C ATOM 949 CG PHE A 76 -1.169 7.348 1.807 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.064 8.132 1.504 1.00 2.12 C ATOM 951 CD2 PHE A 76 -0.981 5.993 2.022 1.00 2.34 C ATOM 952 CE1 PHE A 76 1.196 7.574 1.417 1.00 2.24 C ATOM 953 CE2 PHE A 76 0.278 5.431 1.937 1.00 2.34 C ATOM 954 CZ PHE A 76 1.367 6.224 1.634 1.00 2.36 C ATOM 0 H PHE A 76 -1.445 9.052 3.832 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.123 9.941 1.239 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -3.075 7.479 2.745 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.107 7.713 1.008 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.191 9.191 1.334 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -1.829 5.368 2.259 1.00 2.34 H new ATOM 0 HE1 PHE A 76 2.047 8.195 1.179 1.00 2.24 H new ATOM 0 HE2 PHE A 76 0.410 4.373 2.107 1.00 2.34 H new ATOM 0 HZ PHE A 76 2.352 5.786 1.567 1.00 2.36 H new ATOM 964 N GLU A 77 -4.577 9.784 3.454 1.00 0.63 N ATOM 965 CA GLU A 77 -5.950 10.220 3.687 1.00 0.73 C ATOM 966 C GLU A 77 -6.063 11.742 3.593 1.00 0.69 C ATOM 967 O GLU A 77 -7.151 12.283 3.401 1.00 0.80 O ATOM 968 CB GLU A 77 -6.475 9.714 5.036 1.00 0.90 C ATOM 969 CG GLU A 77 -5.762 10.284 6.243 1.00 1.56 C ATOM 970 CD GLU A 77 -6.272 9.695 7.541 1.00 1.94 C ATOM 971 OE1 GLU A 77 -6.138 8.468 7.738 1.00 2.52 O ATOM 972 OE2 GLU A 77 -6.828 10.453 8.361 1.00 2.41 O ATOM 0 H GLU A 77 -4.128 9.339 4.255 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.573 9.785 2.905 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -7.536 9.953 5.111 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -6.390 8.628 5.060 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -4.693 10.092 6.155 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.892 11.366 6.262 1.00 1.56 H new ATOM 979 N ALA A 78 -4.933 12.427 3.719 1.00 0.61 N ATOM 980 CA ALA A 78 -4.898 13.868 3.530 1.00 0.62 C ATOM 981 C ALA A 78 -4.666 14.226 2.060 1.00 0.60 C ATOM 982 O ALA A 78 -5.531 14.815 1.412 1.00 0.65 O ATOM 983 CB ALA A 78 -3.818 14.491 4.403 1.00 0.64 C ATOM 0 H ALA A 78 -4.032 12.008 3.951 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.866 14.271 3.827 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.804 15.570 4.250 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.028 14.275 5.451 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.847 14.074 4.134 1.00 0.64 H new ATOM 989 N ALA A 79 -3.507 13.846 1.533 1.00 0.65 N ATOM 990 CA ALA A 79 -3.103 14.227 0.180 1.00 0.75 C ATOM 991 C ALA A 79 -3.916 13.511 -0.887 1.00 0.86 C ATOM 992 O ALA A 79 -4.460 14.137 -1.793 1.00 0.99 O ATOM 993 CB ALA A 79 -1.629 13.934 -0.030 1.00 0.83 C ATOM 0 H ALA A 79 -2.824 13.270 2.025 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.289 15.297 0.082 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.341 14.222 -1.041 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.039 14.500 0.691 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.446 12.868 0.109 1.00 0.83 H new ATOM 999 N ALA A 80 -4.010 12.198 -0.758 1.00 0.91 N ATOM 1000 CA ALA A 80 -4.636 11.365 -1.774 1.00 1.12 C ATOM 1001 C ALA A 80 -6.156 11.529 -1.776 1.00 1.27 C ATOM 1002 O ALA A 80 -6.840 11.055 -2.680 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.237 9.913 -1.558 1.00 1.25 C ATOM 0 H ALA A 80 -3.658 11.681 0.048 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.283 11.686 -2.754 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.706 9.290 -2.319 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -3.153 9.819 -1.629 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -4.565 9.589 -0.571 1.00 1.25 H new ATOM 1009 N THR A 81 -6.685 12.176 -0.751 1.00 1.23 N ATOM 1010 CA THR A 81 -8.093 12.511 -0.708 1.00 1.46 C ATOM 1011 C THR A 81 -8.301 13.972 -1.110 1.00 1.63 C ATOM 1012 O THR A 81 -9.392 14.375 -1.512 1.00 1.89 O ATOM 1013 CB THR A 81 -8.662 12.264 0.700 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.388 10.917 1.098 1.00 2.33 O ATOM 1015 CG2 THR A 81 -10.157 12.506 0.742 1.00 1.65 C ATOM 0 H THR A 81 -6.155 12.480 0.065 1.00 1.23 H new ATOM 0 HA THR A 81 -8.622 11.872 -1.415 1.00 1.46 H new ATOM 0 HB THR A 81 -8.183 12.963 1.386 1.00 1.60 H new ATOM 0 HG1 THR A 81 -9.095 10.327 0.764 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.527 12.323 1.751 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.367 13.538 0.461 1.00 1.65 H new ATOM 0 HG23 THR A 81 -10.654 11.832 0.045 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.229 14.750 -1.049 1.00 1.69 N ATOM 1024 CA GLY A 82 -7.324 16.170 -1.314 1.00 2.14 C ATOM 1025 C GLY A 82 -7.071 16.514 -2.767 1.00 2.00 C ATOM 1026 O GLY A 82 -6.312 17.436 -3.070 1.00 2.59 O ATOM 0 H GLY A 82 -6.291 14.420 -0.820 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.315 16.523 -1.029 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -6.605 16.700 -0.689 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.703 15.775 -3.665 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.598 16.041 -5.087 1.00 2.11 C ATOM 1032 C LYS A 83 -8.810 15.467 -5.807 1.00 2.84 C ATOM 1033 O LYS A 83 -9.679 16.257 -6.235 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.303 15.455 -5.659 1.00 2.31 C ATOM 1035 CG LYS A 83 -5.956 15.992 -7.038 1.00 2.78 C ATOM 1036 CD LYS A 83 -4.571 15.548 -7.479 1.00 3.44 C ATOM 1037 CE LYS A 83 -4.118 16.304 -8.717 1.00 3.93 C ATOM 1038 NZ LYS A 83 -2.730 15.947 -9.110 1.00 4.41 N ATOM 1039 OXT LYS A 83 -8.915 14.229 -5.909 1.00 3.62 O ATOM 0 H LYS A 83 -8.298 14.981 -3.429 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.571 17.120 -5.240 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.482 15.671 -4.976 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -6.396 14.370 -5.712 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -6.696 15.647 -7.760 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -6.004 17.081 -7.028 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -3.859 15.711 -6.670 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -4.578 14.478 -7.686 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -4.796 16.087 -9.543 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -4.177 17.376 -8.529 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -2.460 16.485 -9.958 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -2.079 16.178 -8.332 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -2.678 14.929 -9.315 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -15.553 10.056 3.303 1.00 2.24 N ATOM 1055 CA MET B 15 -15.075 8.950 2.445 1.00 1.67 C ATOM 1056 C MET B 15 -13.790 8.368 3.007 1.00 1.40 C ATOM 1057 O MET B 15 -12.975 9.086 3.587 1.00 1.55 O ATOM 1058 CB MET B 15 -14.830 9.438 1.009 1.00 1.81 C ATOM 1059 CG MET B 15 -13.723 10.479 0.891 1.00 2.21 C ATOM 1060 SD MET B 15 -13.347 10.912 -0.819 1.00 3.03 S ATOM 1061 CE MET B 15 -14.919 11.580 -1.357 1.00 3.68 C ATOM 0 HA MET B 15 -15.846 8.180 2.428 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.579 8.582 0.383 1.00 1.81 H new ATOM 0 HB3 MET B 15 -15.755 9.860 0.616 1.00 1.81 H new ATOM 0 HG2 MET B 15 -14.018 11.378 1.432 1.00 2.21 H new ATOM 0 HG3 MET B 15 -12.821 10.099 1.371 1.00 2.21 H new ATOM 0 HE1 MET B 15 -14.778 12.144 -2.279 1.00 3.68 H new ATOM 0 HE2 MET B 15 -15.620 10.764 -1.534 1.00 3.68 H new ATOM 0 HE3 MET B 15 -15.317 12.240 -0.586 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.612 7.067 2.846 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.393 6.413 3.289 1.00 1.13 C ATOM 1075 C ASP B 16 -11.354 6.438 2.185 1.00 0.91 C ATOM 1076 O ASP B 16 -11.645 6.127 1.028 1.00 1.01 O ATOM 1077 CB ASP B 16 -12.655 4.971 3.716 1.00 1.39 C ATOM 1078 CG ASP B 16 -11.371 4.261 4.103 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -10.851 4.523 5.211 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -10.865 3.459 3.296 1.00 2.42 O ATOM 0 H ASP B 16 -14.294 6.445 2.413 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.019 6.961 4.154 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.346 4.960 4.559 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -13.138 4.432 2.901 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.149 6.830 2.547 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.052 6.916 1.601 1.00 0.75 C ATOM 1087 C ASN B 17 -8.395 5.565 1.401 1.00 0.62 C ATOM 1088 O ASN B 17 -7.969 5.235 0.297 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.004 7.912 2.092 1.00 0.93 C ATOM 1090 CG ASN B 17 -6.757 7.902 1.230 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -5.806 7.170 1.493 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.756 8.721 0.199 1.00 1.71 N ATOM 0 H ASN B 17 -9.902 7.097 3.500 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.463 7.253 0.650 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.432 8.914 2.097 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -7.734 7.675 3.121 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.944 8.764 -0.417 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -7.567 9.312 0.016 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.337 4.783 2.468 1.00 0.59 N ATOM 1100 CA LYS B 18 -7.556 3.558 2.476 1.00 0.62 C ATOM 1101 C LYS B 18 -8.057 2.540 1.452 1.00 0.54 C ATOM 1102 O LYS B 18 -7.269 1.777 0.894 1.00 0.48 O ATOM 1103 CB LYS B 18 -7.526 2.946 3.876 1.00 0.82 C ATOM 1104 CG LYS B 18 -6.383 3.465 4.740 1.00 1.09 C ATOM 1105 CD LYS B 18 -6.576 4.915 5.163 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.654 5.044 6.223 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.769 6.433 6.743 1.00 1.89 N ATOM 0 H LYS B 18 -8.824 4.977 3.343 1.00 0.59 H new ATOM 0 HA LYS B 18 -6.540 3.826 2.187 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -8.472 3.154 4.375 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -7.443 1.863 3.789 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -6.293 2.841 5.629 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -5.447 3.373 4.190 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -5.636 5.312 5.548 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -6.844 5.516 4.294 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -8.612 4.734 5.804 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -7.433 4.366 7.048 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.392 6.441 7.576 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -6.827 6.782 7.012 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -8.169 7.048 6.006 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.359 2.521 1.204 1.00 0.61 N ATOM 1122 CA LYS B 19 -9.915 1.653 0.172 1.00 0.61 C ATOM 1123 C LYS B 19 -9.422 2.067 -1.218 1.00 0.53 C ATOM 1124 O LYS B 19 -9.109 1.216 -2.052 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.446 1.648 0.228 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.069 3.035 0.202 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.588 2.976 0.263 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.179 2.338 -0.984 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.663 2.261 -0.922 1.00 1.49 N ATOM 0 H LYS B 19 -10.046 3.091 1.698 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.566 0.638 0.364 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.829 1.073 -0.615 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.765 1.134 1.135 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -11.694 3.617 1.044 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -11.762 3.554 -0.706 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.895 2.409 1.142 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -13.986 3.984 0.379 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.882 2.914 -1.861 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.769 1.336 -1.107 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.024 1.820 -1.792 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.947 1.690 -0.100 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.057 3.219 -0.831 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.327 3.373 -1.462 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.825 3.870 -2.741 1.00 0.59 C ATOM 1145 C ARG B 20 -7.314 3.684 -2.799 1.00 0.55 C ATOM 1146 O ARG B 20 -6.740 3.446 -3.862 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.183 5.347 -2.945 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.661 5.647 -2.766 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.051 6.980 -3.392 1.00 1.01 C ATOM 1150 NE ARG B 20 -10.229 8.095 -2.915 1.00 1.31 N ATOM 1151 CZ ARG B 20 -10.565 9.379 -3.071 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -11.729 9.699 -3.624 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -9.738 10.339 -2.676 1.00 2.34 N ATOM 0 H ARG B 20 -9.589 4.101 -0.797 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.297 3.300 -3.542 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -8.611 5.951 -2.241 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.878 5.651 -3.947 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.250 4.848 -3.216 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -10.902 5.661 -1.703 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.962 6.907 -4.476 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.098 7.187 -3.172 1.00 1.01 H new ATOM 0 HE ARG B 20 -9.353 7.880 -2.438 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -12.367 8.965 -3.930 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -11.985 10.679 -3.743 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -8.842 10.098 -2.252 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -9.998 11.318 -2.797 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.689 3.805 -1.634 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.274 3.509 -1.456 1.00 0.58 C ATOM 1169 C LEU B 21 -4.967 2.098 -1.947 1.00 0.57 C ATOM 1170 O LEU B 21 -4.043 1.889 -2.737 1.00 0.64 O ATOM 1171 CB LEU B 21 -4.928 3.659 0.032 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.684 2.922 0.541 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.434 3.398 -0.179 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.537 3.132 2.040 1.00 0.61 C ATOM 0 H LEU B 21 -7.154 4.114 -0.780 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.669 4.203 -2.040 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.802 4.721 0.244 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.784 3.318 0.614 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.807 1.859 0.336 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.567 2.858 0.202 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.537 3.211 -1.248 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.300 4.466 -0.008 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.651 2.606 2.396 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.436 4.197 2.250 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.419 2.744 2.550 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.763 1.143 -1.484 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.628 -0.245 -1.893 1.00 0.63 C ATOM 1188 C ALA B 22 -5.728 -0.383 -3.401 1.00 0.51 C ATOM 1189 O ALA B 22 -4.847 -0.954 -4.037 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.697 -1.089 -1.234 1.00 0.83 C ATOM 0 H ALA B 22 -6.517 1.310 -0.817 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.644 -0.593 -1.578 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.586 -2.127 -1.548 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.595 -1.025 -0.151 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.681 -0.724 -1.528 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.805 0.155 -3.964 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.043 0.079 -5.400 1.00 0.75 C ATOM 1198 C TYR B 23 -5.865 0.641 -6.191 1.00 0.66 C ATOM 1199 O TYR B 23 -5.430 0.051 -7.181 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.324 0.829 -5.774 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.407 1.137 -7.250 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.634 0.130 -8.177 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -8.229 2.433 -7.717 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -8.679 0.406 -9.527 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -8.278 2.717 -9.064 1.00 1.83 C ATOM 1206 CZ TYR B 23 -8.501 1.702 -9.966 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.544 1.980 -11.315 1.00 2.99 O ATOM 0 H TYR B 23 -7.530 0.650 -3.444 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.157 -0.974 -5.657 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.188 0.232 -5.482 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.374 1.760 -5.209 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.778 -0.885 -7.836 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -8.049 3.231 -7.012 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -8.853 -0.388 -10.238 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -8.142 3.731 -9.410 1.00 1.83 H new ATOM 0 HH TYR B 23 -9.262 1.460 -11.733 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.358 1.783 -5.753 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.246 2.435 -6.425 1.00 0.87 C ATOM 1219 C ALA B 24 -3.023 1.534 -6.459 1.00 0.75 C ATOM 1220 O ALA B 24 -2.329 1.437 -7.473 1.00 0.84 O ATOM 1221 CB ALA B 24 -3.914 3.735 -5.728 1.00 1.14 C ATOM 0 H ALA B 24 -5.702 2.279 -4.931 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.542 2.642 -7.453 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.080 4.218 -6.237 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -4.783 4.393 -5.751 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -3.639 3.533 -4.693 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.770 0.878 -5.340 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.663 -0.051 -5.224 1.00 0.71 C ATOM 1229 C ILE B 25 -1.931 -1.304 -6.052 1.00 0.61 C ATOM 1230 O ILE B 25 -1.024 -1.843 -6.684 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.414 -0.404 -3.743 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -0.941 0.850 -3.003 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.399 -1.531 -3.600 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.722 0.648 -1.525 1.00 0.89 C ATOM 0 H ILE B 25 -3.325 0.975 -4.490 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.762 0.423 -5.614 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.347 -0.757 -3.304 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.010 1.195 -3.453 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.677 1.642 -3.145 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.248 -1.753 -2.544 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.769 -2.421 -4.109 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.548 -1.226 -4.045 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.388 1.583 -1.075 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.656 0.334 -1.058 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.036 -0.120 -1.371 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.187 -1.738 -6.067 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.617 -2.850 -6.911 1.00 0.53 C ATOM 1248 C ILE B 26 -3.250 -2.585 -8.370 1.00 0.51 C ATOM 1249 O ILE B 26 -2.641 -3.426 -9.023 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.145 -3.090 -6.786 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.471 -3.670 -5.404 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.664 -4.004 -7.895 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.948 -3.884 -5.159 1.00 0.78 C ATOM 0 H ILE B 26 -3.932 -1.333 -5.499 1.00 0.53 H new ATOM 0 HA ILE B 26 -3.100 -3.747 -6.570 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.650 -2.130 -6.897 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.953 -4.622 -5.289 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -5.080 -3.000 -4.639 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.738 -4.149 -7.774 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.466 -3.548 -8.865 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -5.159 -4.968 -7.838 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -7.095 -4.296 -4.161 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.472 -2.932 -5.239 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.343 -4.579 -5.900 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.597 -1.401 -8.859 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.320 -1.029 -10.243 1.00 0.62 C ATOM 1267 C GLN B 27 -1.826 -0.856 -10.494 1.00 0.55 C ATOM 1268 O GLN B 27 -1.274 -1.442 -11.426 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.053 0.260 -10.605 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.556 0.090 -10.709 1.00 0.89 C ATOM 1271 CD GLN B 27 -5.956 -0.902 -11.783 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.143 -0.533 -12.942 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.100 -2.161 -11.404 1.00 1.34 N ATOM 0 H GLN B 27 -4.072 -0.679 -8.317 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.678 -1.842 -10.875 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.832 1.018 -9.854 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.670 0.632 -11.555 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.948 -0.243 -9.748 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.014 1.056 -10.923 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -5.935 -2.423 -10.432 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.376 -2.870 -12.084 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.175 -0.060 -9.653 1.00 0.52 N ATOM 1283 CA PHE B 28 0.241 0.239 -9.828 1.00 0.51 C ATOM 1284 C PHE B 28 1.075 -1.034 -9.778 1.00 0.43 C ATOM 1285 O PHE B 28 1.902 -1.276 -10.654 1.00 0.42 O ATOM 1286 CB PHE B 28 0.715 1.230 -8.763 1.00 0.60 C ATOM 1287 CG PHE B 28 2.164 1.617 -8.896 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.613 2.296 -10.018 1.00 1.62 C ATOM 1289 CD2 PHE B 28 3.075 1.298 -7.903 1.00 1.60 C ATOM 1290 CE1 PHE B 28 3.944 2.651 -10.144 1.00 1.96 C ATOM 1291 CE2 PHE B 28 4.407 1.649 -8.024 1.00 1.98 C ATOM 1292 CZ PHE B 28 4.841 2.326 -9.146 1.00 1.83 C ATOM 0 H PHE B 28 -1.605 0.389 -8.844 1.00 0.52 H new ATOM 0 HA PHE B 28 0.373 0.694 -10.810 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.102 2.129 -8.818 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.554 0.794 -7.777 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.916 2.551 -10.803 1.00 1.62 H new ATOM 0 HD2 PHE B 28 2.741 0.768 -7.023 1.00 1.60 H new ATOM 0 HE1 PHE B 28 4.281 3.182 -11.022 1.00 1.96 H new ATOM 0 HE2 PHE B 28 5.107 1.394 -7.242 1.00 1.98 H new ATOM 0 HZ PHE B 28 5.881 2.601 -9.243 1.00 1.83 H new ATOM 1302 N LEU B 29 0.842 -1.857 -8.765 1.00 0.45 N ATOM 1303 CA LEU B 29 1.580 -3.106 -8.616 1.00 0.45 C ATOM 1304 C LEU B 29 1.205 -4.107 -9.702 1.00 0.45 C ATOM 1305 O LEU B 29 2.014 -4.952 -10.063 1.00 0.48 O ATOM 1306 CB LEU B 29 1.354 -3.720 -7.231 1.00 0.53 C ATOM 1307 CG LEU B 29 2.318 -3.252 -6.136 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.303 -1.737 -5.996 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.969 -3.913 -4.812 1.00 0.70 C ATOM 0 H LEU B 29 0.150 -1.684 -8.036 1.00 0.45 H new ATOM 0 HA LEU B 29 2.639 -2.869 -8.721 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.336 -3.494 -6.915 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.428 -4.804 -7.317 1.00 0.53 H new ATOM 0 HG LEU B 29 3.327 -3.549 -6.424 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.997 -1.437 -5.211 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.603 -1.281 -6.940 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.297 -1.405 -5.737 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.661 -3.573 -4.042 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.951 -3.646 -4.529 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.044 -4.996 -4.915 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.011 -4.005 -10.225 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.452 -4.886 -11.305 1.00 0.53 C ATOM 1323 C HIS B 30 0.336 -4.597 -12.577 1.00 0.48 C ATOM 1324 O HIS B 30 0.857 -5.510 -13.221 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.951 -4.706 -11.568 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.515 -5.673 -12.563 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.845 -5.320 -13.852 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.822 -6.984 -12.445 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -3.330 -6.372 -14.483 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.327 -7.395 -13.652 1.00 1.41 N ATOM 0 H HIS B 30 -0.708 -3.325 -9.922 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.271 -5.917 -11.002 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.490 -4.813 -10.627 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.128 -3.691 -11.923 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.693 -7.595 -11.564 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.672 -6.392 -15.507 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -3.648 -8.338 -13.871 1.00 1.41 H new ATOM 1339 N ASP B 31 0.424 -3.323 -12.930 1.00 0.48 N ATOM 1340 CA ASP B 31 1.174 -2.905 -14.108 1.00 0.52 C ATOM 1341 C ASP B 31 2.668 -3.105 -13.889 1.00 0.45 C ATOM 1342 O ASP B 31 3.373 -3.618 -14.757 1.00 0.50 O ATOM 1343 CB ASP B 31 0.880 -1.441 -14.438 1.00 0.63 C ATOM 1344 CG ASP B 31 1.691 -0.942 -15.615 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.327 -1.251 -16.771 1.00 1.98 O ATOM 1346 OD2 ASP B 31 2.702 -0.243 -15.393 1.00 1.79 O ATOM 0 H ASP B 31 -0.015 -2.558 -12.417 1.00 0.48 H new ATOM 0 HA ASP B 31 0.860 -3.522 -14.950 1.00 0.52 H new ATOM 0 HB2 ASP B 31 -0.182 -1.327 -14.657 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.094 -0.824 -13.565 1.00 0.63 H new ATOM 1351 N GLN B 32 3.137 -2.719 -12.707 1.00 0.42 N ATOM 1352 CA GLN B 32 4.540 -2.881 -12.337 1.00 0.44 C ATOM 1353 C GLN B 32 4.924 -4.359 -12.330 1.00 0.38 C ATOM 1354 O GLN B 32 6.078 -4.717 -12.572 1.00 0.43 O ATOM 1355 CB GLN B 32 4.788 -2.265 -10.958 1.00 0.52 C ATOM 1356 CG GLN B 32 6.245 -2.263 -10.532 1.00 0.57 C ATOM 1357 CD GLN B 32 6.489 -1.507 -9.237 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.553 -0.924 -9.044 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.520 -1.517 -8.332 1.00 1.31 N ATOM 0 H GLN B 32 2.561 -2.288 -11.983 1.00 0.42 H new ATOM 0 HA GLN B 32 5.158 -2.368 -13.073 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.420 -1.239 -10.959 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.205 -2.812 -10.217 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.584 -3.292 -10.414 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.848 -1.818 -11.324 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.648 -2.011 -8.524 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.646 -1.031 -7.444 1.00 1.31 H new ATOM 1368 N LEU B 33 3.942 -5.206 -12.048 1.00 0.37 N ATOM 1369 CA LEU B 33 4.129 -6.649 -12.054 1.00 0.42 C ATOM 1370 C LEU B 33 4.513 -7.109 -13.452 1.00 0.46 C ATOM 1371 O LEU B 33 5.530 -7.777 -13.643 1.00 0.53 O ATOM 1372 CB LEU B 33 2.832 -7.338 -11.606 1.00 0.53 C ATOM 1373 CG LEU B 33 2.970 -8.757 -11.050 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.272 -9.761 -12.152 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.052 -8.791 -9.991 1.00 0.83 C ATOM 0 H LEU B 33 2.995 -4.911 -11.809 1.00 0.37 H new ATOM 0 HA LEU B 33 4.928 -6.916 -11.363 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.362 -6.717 -10.844 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.151 -7.369 -12.456 1.00 0.53 H new ATOM 0 HG LEU B 33 2.018 -9.040 -10.601 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.363 -10.758 -11.721 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.463 -9.754 -12.882 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.207 -9.491 -12.644 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.146 -9.804 -9.599 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.001 -8.483 -10.430 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.789 -8.111 -9.181 1.00 0.83 H new ATOM 1387 N ARG B 34 3.702 -6.720 -14.425 1.00 0.47 N ATOM 1388 CA ARG B 34 3.916 -7.115 -15.808 1.00 0.59 C ATOM 1389 C ARG B 34 5.161 -6.440 -16.370 1.00 0.58 C ATOM 1390 O ARG B 34 5.853 -6.996 -17.223 1.00 0.69 O ATOM 1391 CB ARG B 34 2.692 -6.749 -16.651 1.00 0.70 C ATOM 1392 CG ARG B 34 2.705 -7.347 -18.051 1.00 1.41 C ATOM 1393 CD ARG B 34 2.744 -8.868 -18.007 1.00 1.46 C ATOM 1394 NE ARG B 34 1.657 -9.420 -17.197 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.627 -10.669 -16.734 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.611 -11.514 -17.018 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.607 -11.069 -15.985 1.00 3.50 N ATOM 0 H ARG B 34 2.885 -6.127 -14.280 1.00 0.47 H new ATOM 0 HA ARG B 34 4.063 -8.194 -15.844 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.793 -7.083 -16.132 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.630 -5.664 -16.731 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.819 -7.020 -18.596 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.571 -6.975 -18.599 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.677 -9.262 -19.021 1.00 1.46 H new ATOM 0 HD3 ARG B 34 3.701 -9.195 -17.601 1.00 1.46 H new ATOM 0 HE ARG B 34 0.872 -8.809 -16.972 1.00 2.18 H new ATOM 0 HH11 ARG B 34 3.396 -11.208 -17.594 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.582 -12.469 -16.661 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.150 -10.421 -15.766 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.580 -12.024 -15.628 1.00 3.50 H new ATOM 1411 N HIS B 35 5.447 -5.246 -15.870 1.00 0.53 N ATOM 1412 CA HIS B 35 6.587 -4.473 -16.338 1.00 0.59 C ATOM 1413 C HIS B 35 7.896 -5.030 -15.775 1.00 0.58 C ATOM 1414 O HIS B 35 8.962 -4.861 -16.366 1.00 0.74 O ATOM 1415 CB HIS B 35 6.424 -3.003 -15.943 1.00 0.59 C ATOM 1416 CG HIS B 35 7.289 -2.066 -16.727 1.00 1.17 C ATOM 1417 ND1 HIS B 35 8.345 -1.379 -16.178 1.00 1.99 N ATOM 1418 CD2 HIS B 35 7.236 -1.694 -18.026 1.00 1.62 C ATOM 1419 CE1 HIS B 35 8.905 -0.624 -17.101 1.00 2.69 C ATOM 1420 NE2 HIS B 35 8.252 -0.795 -18.234 1.00 2.43 N ATOM 0 H HIS B 35 4.902 -4.791 -15.137 1.00 0.53 H new ATOM 0 HA HIS B 35 6.627 -4.547 -17.425 1.00 0.59 H new ATOM 0 HB2 HIS B 35 5.381 -2.715 -16.074 1.00 0.59 H new ATOM 0 HB3 HIS B 35 6.654 -2.894 -14.883 1.00 0.59 H new ATOM 0 HD2 HIS B 35 6.526 -2.040 -18.763 1.00 1.62 H new ATOM 0 HE1 HIS B 35 9.755 0.025 -16.955 1.00 2.69 H new ATOM 0 HE2 HIS B 35 8.467 -0.335 -19.119 1.00 2.43 H new ATOM 1429 N GLY B 36 7.801 -5.704 -14.633 1.00 0.49 N ATOM 1430 CA GLY B 36 8.972 -6.300 -14.013 1.00 0.51 C ATOM 1431 C GLY B 36 9.715 -5.319 -13.127 1.00 0.47 C ATOM 1432 O GLY B 36 10.946 -5.308 -13.100 1.00 0.53 O ATOM 0 H GLY B 36 6.929 -5.849 -14.123 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.667 -7.163 -13.421 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.644 -6.667 -14.789 1.00 0.51 H new ATOM 1436 N GLY B 37 8.960 -4.507 -12.395 1.00 0.41 N ATOM 1437 CA GLY B 37 9.552 -3.467 -11.570 1.00 0.40 C ATOM 1438 C GLY B 37 10.442 -4.003 -10.462 1.00 0.39 C ATOM 1439 O GLY B 37 11.514 -3.454 -10.203 1.00 0.53 O ATOM 0 H GLY B 37 7.942 -4.550 -12.358 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.137 -2.801 -12.204 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.756 -2.868 -11.128 1.00 0.40 H new ATOM 1443 N LEU B 38 10.003 -5.065 -9.802 1.00 0.36 N ATOM 1444 CA LEU B 38 10.762 -5.631 -8.690 1.00 0.41 C ATOM 1445 C LEU B 38 11.466 -6.917 -9.116 1.00 0.49 C ATOM 1446 O LEU B 38 11.441 -7.284 -10.293 1.00 0.83 O ATOM 1447 CB LEU B 38 9.855 -5.908 -7.479 1.00 0.44 C ATOM 1448 CG LEU B 38 9.340 -4.678 -6.715 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.486 -3.758 -6.325 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.301 -3.921 -7.522 1.00 0.47 C ATOM 0 H LEU B 38 9.132 -5.551 -10.013 1.00 0.36 H new ATOM 0 HA LEU B 38 11.512 -4.896 -8.397 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.994 -6.483 -7.821 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.402 -6.540 -6.780 1.00 0.44 H new ATOM 0 HG LEU B 38 8.863 -5.036 -5.803 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.093 -2.896 -5.786 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.185 -4.298 -5.686 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.003 -3.420 -7.223 1.00 0.51 H new ATOM 0 HD21 LEU B 38 7.957 -3.057 -6.953 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.743 -3.585 -8.460 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.456 -4.576 -7.733 1.00 0.47 H new ATOM 1462 N SER B 39 12.089 -7.595 -8.160 1.00 0.47 N ATOM 1463 CA SER B 39 12.822 -8.823 -8.439 1.00 0.54 C ATOM 1464 C SER B 39 11.860 -10.009 -8.618 1.00 0.48 C ATOM 1465 O SER B 39 10.643 -9.829 -8.658 1.00 0.45 O ATOM 1466 CB SER B 39 13.819 -9.096 -7.308 1.00 0.67 C ATOM 1467 OG SER B 39 14.764 -10.084 -7.682 1.00 1.42 O ATOM 0 H SER B 39 12.101 -7.313 -7.180 1.00 0.47 H new ATOM 0 HA SER B 39 13.371 -8.700 -9.373 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.338 -8.174 -7.047 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.282 -9.422 -6.417 1.00 0.67 H new ATOM 0 HG SER B 39 15.388 -10.236 -6.942 1.00 1.42 H new ATOM 1473 N SER B 40 12.410 -11.216 -8.712 1.00 0.59 N ATOM 1474 CA SER B 40 11.623 -12.408 -9.017 1.00 0.61 C ATOM 1475 C SER B 40 10.665 -12.773 -7.879 1.00 0.53 C ATOM 1476 O SER B 40 9.449 -12.816 -8.077 1.00 0.49 O ATOM 1477 CB SER B 40 12.561 -13.574 -9.330 1.00 0.77 C ATOM 1478 OG SER B 40 13.441 -13.238 -10.390 1.00 1.63 O ATOM 0 H SER B 40 13.405 -11.396 -8.580 1.00 0.59 H new ATOM 0 HA SER B 40 11.007 -12.192 -9.890 1.00 0.61 H new ATOM 0 HB2 SER B 40 13.136 -13.833 -8.441 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.978 -14.454 -9.600 1.00 0.77 H new ATOM 0 HG SER B 40 14.035 -13.996 -10.575 1.00 1.63 H new ATOM 1484 N ASP B 41 11.208 -13.021 -6.689 1.00 0.57 N ATOM 1485 CA ASP B 41 10.383 -13.370 -5.529 1.00 0.58 C ATOM 1486 C ASP B 41 9.458 -12.216 -5.188 1.00 0.53 C ATOM 1487 O ASP B 41 8.314 -12.408 -4.769 1.00 0.55 O ATOM 1488 CB ASP B 41 11.248 -13.701 -4.308 1.00 0.71 C ATOM 1489 CG ASP B 41 12.147 -14.904 -4.515 1.00 1.26 C ATOM 1490 OD1 ASP B 41 11.635 -16.040 -4.554 1.00 2.21 O ATOM 1491 OD2 ASP B 41 13.380 -14.713 -4.623 1.00 1.69 O ATOM 0 H ASP B 41 12.210 -12.988 -6.501 1.00 0.57 H new ATOM 0 HA ASP B 41 9.799 -14.253 -5.788 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.863 -12.835 -4.062 1.00 0.71 H new ATOM 0 HB3 ASP B 41 10.599 -13.885 -3.452 1.00 0.71 H new ATOM 1496 N ALA B 42 9.970 -11.011 -5.385 1.00 0.51 N ATOM 1497 CA ALA B 42 9.214 -9.798 -5.140 1.00 0.50 C ATOM 1498 C ALA B 42 8.018 -9.703 -6.081 1.00 0.47 C ATOM 1499 O ALA B 42 6.945 -9.246 -5.692 1.00 0.52 O ATOM 1500 CB ALA B 42 10.119 -8.592 -5.307 1.00 0.54 C ATOM 0 H ALA B 42 10.920 -10.849 -5.719 1.00 0.51 H new ATOM 0 HA ALA B 42 8.834 -9.822 -4.119 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.549 -7.681 -5.123 1.00 0.54 H new ATOM 0 HB2 ALA B 42 10.943 -8.655 -4.597 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.516 -8.573 -6.322 1.00 0.54 H new ATOM 1506 N GLN B 43 8.216 -10.151 -7.315 1.00 0.44 N ATOM 1507 CA GLN B 43 7.161 -10.163 -8.318 1.00 0.45 C ATOM 1508 C GLN B 43 6.012 -11.054 -7.850 1.00 0.45 C ATOM 1509 O GLN B 43 4.853 -10.636 -7.813 1.00 0.48 O ATOM 1510 CB GLN B 43 7.722 -10.677 -9.646 1.00 0.49 C ATOM 1511 CG GLN B 43 6.888 -10.310 -10.857 1.00 0.82 C ATOM 1512 CD GLN B 43 7.393 -10.958 -12.129 1.00 0.85 C ATOM 1513 OE1 GLN B 43 6.957 -12.047 -12.499 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.325 -10.302 -12.800 1.00 1.12 N ATOM 0 H GLN B 43 9.109 -10.515 -7.647 1.00 0.44 H new ATOM 0 HA GLN B 43 6.784 -9.150 -8.460 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.729 -10.282 -9.779 1.00 0.49 H new ATOM 0 HB3 GLN B 43 7.810 -11.762 -9.595 1.00 0.49 H new ATOM 0 HG2 GLN B 43 5.854 -10.610 -10.686 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.889 -9.227 -10.980 1.00 0.82 H new ATOM 0 HE21 GLN B 43 8.660 -9.401 -12.459 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.709 -10.697 -13.658 1.00 1.12 H new ATOM 1523 N GLU B 44 6.354 -12.276 -7.460 1.00 0.49 N ATOM 1524 CA GLU B 44 5.374 -13.228 -6.952 1.00 0.54 C ATOM 1525 C GLU B 44 4.637 -12.646 -5.750 1.00 0.51 C ATOM 1526 O GLU B 44 3.430 -12.832 -5.592 1.00 0.50 O ATOM 1527 CB GLU B 44 6.068 -14.532 -6.551 1.00 0.68 C ATOM 1528 CG GLU B 44 6.858 -15.182 -7.677 1.00 1.20 C ATOM 1529 CD GLU B 44 5.993 -15.559 -8.860 1.00 1.65 C ATOM 1530 OE1 GLU B 44 5.411 -16.663 -8.847 1.00 2.36 O ATOM 1531 OE2 GLU B 44 5.896 -14.759 -9.814 1.00 2.20 O ATOM 0 H GLU B 44 7.309 -12.633 -7.486 1.00 0.49 H new ATOM 0 HA GLU B 44 4.651 -13.434 -7.741 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.741 -14.332 -5.717 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.317 -15.237 -6.194 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.640 -14.498 -8.008 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.355 -16.075 -7.297 1.00 1.20 H new ATOM 1538 N SER B 45 5.375 -11.918 -4.923 1.00 0.54 N ATOM 1539 CA SER B 45 4.824 -11.323 -3.714 1.00 0.59 C ATOM 1540 C SER B 45 3.800 -10.231 -4.031 1.00 0.55 C ATOM 1541 O SER B 45 2.845 -10.040 -3.277 1.00 0.58 O ATOM 1542 CB SER B 45 5.954 -10.762 -2.853 1.00 0.71 C ATOM 1543 OG SER B 45 6.873 -11.784 -2.496 1.00 1.04 O ATOM 0 H SER B 45 6.366 -11.724 -5.070 1.00 0.54 H new ATOM 0 HA SER B 45 4.302 -12.105 -3.163 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.474 -9.973 -3.397 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.540 -10.309 -1.952 1.00 0.71 H new ATOM 0 HG SER B 45 7.360 -12.080 -3.294 1.00 1.04 H new ATOM 1549 N LEU B 46 3.989 -9.521 -5.143 1.00 0.56 N ATOM 1550 CA LEU B 46 3.057 -8.462 -5.530 1.00 0.60 C ATOM 1551 C LEU B 46 1.672 -9.031 -5.769 1.00 0.50 C ATOM 1552 O LEU B 46 0.698 -8.567 -5.182 1.00 0.48 O ATOM 1553 CB LEU B 46 3.504 -7.739 -6.800 1.00 0.74 C ATOM 1554 CG LEU B 46 4.797 -6.932 -6.704 1.00 0.75 C ATOM 1555 CD1 LEU B 46 4.949 -6.025 -7.916 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.838 -6.116 -5.421 1.00 1.14 C ATOM 0 H LEU B 46 4.770 -9.657 -5.785 1.00 0.56 H new ATOM 0 HA LEU B 46 3.039 -7.749 -4.706 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.622 -8.480 -7.591 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.704 -7.066 -7.110 1.00 0.74 H new ATOM 0 HG LEU B 46 5.632 -7.633 -6.685 1.00 0.75 H new ATOM 0 HD11 LEU B 46 5.876 -5.457 -7.832 1.00 1.28 H new ATOM 0 HD12 LEU B 46 4.976 -6.630 -8.822 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.105 -5.337 -7.964 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.769 -5.551 -5.379 1.00 1.14 H new ATOM 0 HD22 LEU B 46 3.994 -5.426 -5.401 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.780 -6.785 -4.562 1.00 1.14 H new ATOM 1568 N GLU B 47 1.599 -10.045 -6.628 1.00 0.49 N ATOM 1569 CA GLU B 47 0.321 -10.634 -7.010 1.00 0.48 C ATOM 1570 C GLU B 47 -0.458 -11.088 -5.779 1.00 0.43 C ATOM 1571 O GLU B 47 -1.657 -10.828 -5.660 1.00 0.45 O ATOM 1572 CB GLU B 47 0.534 -11.812 -7.962 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.763 -12.389 -8.505 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.541 -13.589 -9.398 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -0.442 -14.717 -8.874 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -0.473 -13.413 -10.630 1.00 1.52 O ATOM 0 H GLU B 47 2.411 -10.475 -7.072 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.261 -9.869 -7.524 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.157 -11.488 -8.796 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.082 -12.597 -7.441 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.405 -12.675 -7.672 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.292 -11.618 -9.065 1.00 0.81 H new ATOM 1583 N VAL B 48 0.237 -11.750 -4.859 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.377 -12.212 -3.622 1.00 0.42 C ATOM 1585 C VAL B 48 -0.892 -11.028 -2.808 1.00 0.41 C ATOM 1586 O VAL B 48 -2.036 -11.027 -2.349 1.00 0.43 O ATOM 1587 CB VAL B 48 0.615 -13.024 -2.762 1.00 0.45 C ATOM 1588 CG1 VAL B 48 -0.083 -13.610 -1.545 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.268 -14.125 -3.580 1.00 0.48 C ATOM 0 H VAL B 48 1.227 -11.978 -4.948 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.209 -12.861 -3.898 1.00 0.42 H new ATOM 0 HB VAL B 48 1.396 -12.345 -2.419 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.634 -14.178 -0.953 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.496 -12.804 -0.939 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.888 -14.269 -1.870 1.00 0.49 H new ATOM 0 HG21 VAL B 48 1.962 -14.682 -2.951 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.501 -14.800 -3.960 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.810 -13.684 -4.417 1.00 0.48 H new ATOM 1599 N ALA B 49 -0.046 -10.015 -2.654 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.394 -8.825 -1.887 1.00 0.43 C ATOM 1601 C ALA B 49 -1.597 -8.106 -2.489 1.00 0.43 C ATOM 1602 O ALA B 49 -2.480 -7.655 -1.762 1.00 0.48 O ATOM 1603 CB ALA B 49 0.794 -7.881 -1.804 1.00 0.44 C ATOM 0 H ALA B 49 0.892 -9.995 -3.054 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.663 -9.146 -0.881 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.517 -6.998 -1.228 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.627 -8.387 -1.315 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.091 -7.581 -2.809 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.625 -8.013 -3.815 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.731 -7.375 -4.523 1.00 0.41 C ATOM 1611 C ILE B 50 -4.060 -8.028 -4.153 1.00 0.38 C ATOM 1612 O ILE B 50 -5.012 -7.350 -3.762 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.536 -7.447 -6.057 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.304 -6.641 -6.476 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.776 -6.940 -6.784 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.981 -6.745 -7.952 1.00 0.62 C ATOM 0 H ILE B 50 -0.890 -8.373 -4.424 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.746 -6.328 -4.220 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.381 -8.490 -6.334 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.462 -5.593 -6.221 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.444 -6.983 -5.900 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.616 -7.000 -7.861 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.635 -7.553 -6.510 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.965 -5.904 -6.502 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.096 -6.148 -8.174 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.790 -7.787 -8.210 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.824 -6.375 -8.536 1.00 0.62 H new ATOM 1628 N GLN B 51 -4.105 -9.352 -4.247 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.321 -10.099 -3.952 1.00 0.43 C ATOM 1630 C GLN B 51 -5.701 -9.954 -2.479 1.00 0.43 C ATOM 1631 O GLN B 51 -6.884 -9.857 -2.133 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.135 -11.579 -4.297 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.680 -11.826 -5.728 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.617 -11.232 -6.760 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.825 -11.124 -6.544 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.065 -10.837 -7.893 1.00 1.35 N ATOM 0 H GLN B 51 -3.312 -9.930 -4.526 1.00 0.39 H new ATOM 0 HA GLN B 51 -6.126 -9.690 -4.562 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.404 -12.012 -3.614 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -6.077 -12.102 -4.130 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.684 -11.404 -5.864 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.597 -12.900 -5.896 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -4.061 -10.943 -8.035 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.643 -10.426 -8.626 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.692 -9.927 -1.621 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.912 -9.804 -0.188 1.00 0.52 C ATOM 1647 C CYS B 52 -5.467 -8.429 0.171 1.00 0.53 C ATOM 1648 O CYS B 52 -6.454 -8.328 0.893 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.613 -10.067 0.572 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.964 -11.739 0.355 1.00 0.69 S ATOM 0 H CYS B 52 -3.711 -9.989 -1.893 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.651 -10.551 0.104 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.860 -9.350 0.244 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.782 -9.888 1.634 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.443 -11.852 -0.831 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.847 -7.374 -0.352 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.289 -6.011 -0.066 1.00 0.53 C ATOM 1658 C LEU B 53 -6.678 -5.761 -0.636 1.00 0.50 C ATOM 1659 O LEU B 53 -7.487 -5.053 -0.034 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.299 -4.988 -0.626 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.910 -5.008 0.015 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.015 -3.963 -0.632 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.001 -4.775 1.519 1.00 0.61 C ATOM 0 H LEU B 53 -4.041 -7.436 -0.973 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.332 -5.895 1.017 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.190 -5.160 -1.697 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.723 -3.991 -0.505 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.473 -5.993 -0.149 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.030 -3.989 -0.166 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.918 -4.176 -1.697 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.454 -2.974 -0.498 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.001 -4.794 1.951 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.461 -3.805 1.710 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.607 -5.559 1.973 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.949 -6.355 -1.792 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.267 -6.277 -2.405 1.00 0.50 C ATOM 1677 C GLU B 54 -9.323 -6.816 -1.442 1.00 0.56 C ATOM 1678 O GLU B 54 -10.316 -6.150 -1.145 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.284 -7.077 -3.711 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.602 -6.999 -4.459 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.611 -7.842 -5.712 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.844 -9.064 -5.606 1.00 1.66 O ATOM 1683 OE2 GLU B 54 -9.380 -7.291 -6.809 1.00 1.62 O ATOM 0 H GLU B 54 -6.269 -6.898 -2.325 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.495 -5.235 -2.628 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.487 -6.714 -4.359 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -8.064 -8.121 -3.490 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.408 -7.324 -3.801 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.805 -5.961 -4.723 1.00 0.73 H new ATOM 1690 N THR B 55 -9.072 -8.012 -0.930 1.00 0.61 N ATOM 1691 CA THR B 55 -9.976 -8.657 0.010 1.00 0.77 C ATOM 1692 C THR B 55 -10.012 -7.898 1.340 1.00 0.83 C ATOM 1693 O THR B 55 -11.057 -7.804 1.989 1.00 0.98 O ATOM 1694 CB THR B 55 -9.535 -10.112 0.264 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.311 -10.778 -0.988 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.585 -10.874 1.061 1.00 1.15 C ATOM 0 H THR B 55 -8.241 -8.560 -1.153 1.00 0.61 H new ATOM 0 HA THR B 55 -10.974 -8.651 -0.427 1.00 0.77 H new ATOM 0 HB THR B 55 -8.611 -10.089 0.842 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.450 -10.494 -1.360 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.246 -11.897 1.225 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.738 -10.384 2.023 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.524 -10.887 0.507 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.866 -7.343 1.716 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.704 -6.665 2.996 1.00 0.87 C ATOM 1706 C ALA B 56 -9.628 -5.462 3.132 1.00 0.88 C ATOM 1707 O ALA B 56 -10.513 -5.441 3.986 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.260 -6.235 3.177 1.00 0.89 C ATOM 0 H ALA B 56 -8.023 -7.350 1.142 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.977 -7.374 3.777 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.148 -5.729 4.136 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.613 -7.112 3.152 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.980 -5.554 2.373 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.430 -4.466 2.281 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.195 -3.235 2.365 1.00 1.05 C ATOM 1716 C PHE B 57 -11.601 -3.418 1.802 1.00 1.57 C ATOM 1717 O PHE B 57 -12.417 -2.496 1.828 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.476 -2.123 1.609 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.116 -1.775 2.150 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.967 -0.810 3.133 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -6.983 -2.391 1.649 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -6.711 -0.468 3.601 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.729 -2.058 2.117 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.592 -1.091 3.089 1.00 0.92 C ATOM 0 H PHE B 57 -8.746 -4.488 1.525 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.283 -2.963 3.417 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.372 -2.420 0.565 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.099 -1.229 1.626 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -8.840 -0.320 3.538 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -7.082 -3.143 0.880 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -6.607 0.286 4.367 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -4.855 -2.555 1.722 1.00 1.50 H new ATOM 0 HZ PHE B 57 -4.610 -0.821 3.449 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.873 -4.615 1.291 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.172 -4.909 0.726 1.00 2.29 C ATOM 1736 C GLY B 58 -13.393 -4.185 -0.582 1.00 2.05 C ATOM 1737 O GLY B 58 -14.511 -3.773 -0.896 1.00 2.60 O ATOM 0 H GLY B 58 -11.210 -5.389 1.260 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.264 -5.983 0.567 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.949 -4.624 1.435 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.324 -4.030 -1.346 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.386 -3.292 -2.594 1.00 1.13 C ATOM 1743 C VAL B 59 -12.484 -4.238 -3.782 1.00 1.04 C ATOM 1744 O VAL B 59 -12.053 -5.386 -3.715 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.171 -2.350 -2.767 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.168 -1.280 -1.690 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.862 -3.124 -2.738 1.00 1.00 C ATOM 0 H VAL B 59 -11.403 -4.406 -1.122 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.286 -2.678 -2.556 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.261 -1.871 -3.742 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.306 -0.627 -1.828 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.083 -0.692 -1.759 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.112 -1.752 -0.709 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -9.028 -2.433 -2.862 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.766 -3.641 -1.783 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.853 -3.853 -3.548 1.00 1.00 H new ATOM 1757 N THR B 60 -13.077 -3.749 -4.852 1.00 1.17 N ATOM 1758 CA THR B 60 -13.249 -4.523 -6.068 1.00 1.30 C ATOM 1759 C THR B 60 -12.940 -3.652 -7.280 1.00 1.16 C ATOM 1760 O THR B 60 -12.449 -2.533 -7.129 1.00 1.14 O ATOM 1761 CB THR B 60 -14.685 -5.080 -6.188 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.638 -4.023 -6.012 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.939 -6.175 -5.164 1.00 2.38 C ATOM 0 H THR B 60 -13.454 -2.803 -4.905 1.00 1.17 H new ATOM 0 HA THR B 60 -12.560 -5.366 -6.028 1.00 1.30 H new ATOM 0 HB THR B 60 -14.797 -5.510 -7.183 1.00 1.94 H new ATOM 0 HG1 THR B 60 -16.501 -4.294 -6.390 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.958 -6.547 -5.274 1.00 2.38 H new ATOM 0 HG22 THR B 60 -14.236 -6.992 -5.323 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.806 -5.772 -4.160 1.00 2.38 H new ATOM 1771 N VAL B 61 -13.219 -4.145 -8.477 1.00 1.40 N ATOM 1772 CA VAL B 61 -13.035 -3.342 -9.681 1.00 1.59 C ATOM 1773 C VAL B 61 -14.064 -2.197 -9.720 1.00 1.83 C ATOM 1774 O VAL B 61 -13.943 -1.240 -10.491 1.00 2.11 O ATOM 1775 CB VAL B 61 -13.120 -4.216 -10.953 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -14.499 -4.839 -11.100 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -12.748 -3.421 -12.197 1.00 1.95 C ATOM 0 H VAL B 61 -13.571 -5.088 -8.643 1.00 1.40 H new ATOM 0 HA VAL B 61 -12.037 -2.904 -9.654 1.00 1.59 H new ATOM 0 HB VAL B 61 -12.396 -5.024 -10.845 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -14.529 -5.448 -12.003 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -14.710 -5.465 -10.233 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -15.249 -4.051 -11.169 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -12.818 -4.064 -13.074 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -13.432 -2.579 -12.309 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -11.728 -3.049 -12.100 1.00 1.95 H new ATOM 1787 N GLU B 62 -15.062 -2.277 -8.848 1.00 1.89 N ATOM 1788 CA GLU B 62 -16.007 -1.183 -8.666 1.00 2.15 C ATOM 1789 C GLU B 62 -15.267 0.045 -8.144 1.00 1.63 C ATOM 1790 O GLU B 62 -15.614 1.189 -8.453 1.00 1.65 O ATOM 1791 CB GLU B 62 -17.104 -1.591 -7.685 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.888 -2.811 -8.133 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.755 -3.377 -7.032 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.905 -2.918 -6.875 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -18.285 -4.285 -6.316 1.00 3.97 O ATOM 0 H GLU B 62 -15.237 -3.089 -8.256 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.470 -0.945 -9.624 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.655 -1.793 -6.713 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.791 -0.755 -7.551 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -18.515 -2.544 -8.984 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.195 -3.579 -8.476 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.213 -0.209 -7.377 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.376 0.851 -6.847 1.00 1.61 C ATOM 1804 C ASP B 63 -12.473 1.408 -7.943 1.00 1.59 C ATOM 1805 O ASP B 63 -11.793 2.415 -7.756 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.551 0.341 -5.665 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.429 -0.073 -4.500 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -13.860 -1.241 -4.461 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -13.715 0.771 -3.628 1.00 3.62 O ATOM 0 H ASP B 63 -13.920 -1.148 -7.109 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.016 1.657 -6.489 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -11.946 -0.508 -5.984 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.861 1.120 -5.341 1.00 1.89 H new ATOM 1814 N SER B 64 -12.483 0.749 -9.095 1.00 1.56 N ATOM 1815 CA SER B 64 -11.786 1.253 -10.264 1.00 1.82 C ATOM 1816 C SER B 64 -12.639 2.318 -10.934 1.00 1.73 C ATOM 1817 O SER B 64 -12.125 3.240 -11.564 1.00 1.91 O ATOM 1818 CB SER B 64 -11.475 0.121 -11.251 1.00 2.42 C ATOM 1819 OG SER B 64 -10.660 0.581 -12.317 1.00 2.92 O ATOM 0 H SER B 64 -12.968 -0.136 -9.241 1.00 1.56 H new ATOM 0 HA SER B 64 -10.838 1.688 -9.949 1.00 1.82 H new ATOM 0 HB2 SER B 64 -10.971 -0.692 -10.729 1.00 2.42 H new ATOM 0 HB3 SER B 64 -12.405 -0.284 -11.649 1.00 2.42 H new ATOM 0 HG SER B 64 -10.475 -0.160 -12.931 1.00 2.92 H new ATOM 1825 N ASP B 65 -13.953 2.183 -10.794 1.00 1.68 N ATOM 1826 CA ASP B 65 -14.871 3.194 -11.308 1.00 2.03 C ATOM 1827 C ASP B 65 -14.692 4.513 -10.564 1.00 1.91 C ATOM 1828 O ASP B 65 -14.686 5.583 -11.170 1.00 2.28 O ATOM 1829 CB ASP B 65 -16.324 2.731 -11.197 1.00 2.26 C ATOM 1830 CG ASP B 65 -17.294 3.805 -11.651 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -17.334 4.102 -12.861 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -18.007 4.370 -10.795 1.00 3.35 O ATOM 0 H ASP B 65 -14.404 1.392 -10.334 1.00 1.68 H new ATOM 0 HA ASP B 65 -14.636 3.345 -12.362 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -16.467 1.834 -11.800 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.541 2.459 -10.164 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.529 4.430 -9.248 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.313 5.625 -8.429 1.00 1.62 C ATOM 1839 C LEU B 66 -12.822 5.959 -8.307 1.00 1.45 C ATOM 1840 O LEU B 66 -12.382 6.562 -7.327 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.982 5.484 -7.049 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.712 4.183 -6.287 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.354 4.206 -5.602 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.809 3.931 -5.266 1.00 1.57 C ATOM 0 H LEU B 66 -14.542 3.555 -8.725 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.789 6.464 -8.936 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.658 6.318 -6.426 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.059 5.585 -7.180 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.706 3.370 -7.014 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.198 3.267 -5.072 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.571 4.335 -6.350 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.318 5.033 -4.893 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.603 3.003 -4.732 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.843 4.758 -4.556 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.769 3.851 -5.776 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.054 5.558 -9.315 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.618 5.818 -9.356 1.00 1.26 C ATOM 1858 C ALA B 67 -10.314 7.311 -9.362 1.00 1.28 C ATOM 1859 O ALA B 67 -11.171 8.135 -9.690 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.012 5.175 -10.586 1.00 1.48 C ATOM 0 H ALA B 67 -12.407 5.046 -10.123 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.179 5.387 -8.456 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.940 5.373 -10.610 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.181 4.099 -10.555 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.478 5.590 -11.480 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.084 7.646 -9.001 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.626 9.026 -8.999 1.00 1.29 C ATOM 1868 C LEU B 68 -7.863 9.326 -10.289 1.00 1.56 C ATOM 1869 O LEU B 68 -7.403 8.399 -10.958 1.00 1.55 O ATOM 1870 CB LEU B 68 -7.749 9.284 -7.766 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.494 9.259 -6.425 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.534 9.462 -5.263 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -9.585 10.320 -6.402 1.00 1.18 C ATOM 0 H LEU B 68 -8.379 6.972 -8.703 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.487 9.692 -8.951 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -6.957 8.536 -7.739 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.266 10.255 -7.879 1.00 1.25 H new ATOM 0 HG LEU B 68 -8.957 8.278 -6.315 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.088 9.440 -4.325 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -6.789 8.666 -5.263 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.035 10.426 -5.367 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.103 10.288 -5.444 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.138 11.304 -6.540 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.296 10.128 -7.206 1.00 1.18 H new ATOM 1885 N PRO B 69 -7.742 10.621 -10.662 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.113 11.053 -11.923 1.00 2.36 C ATOM 1887 C PRO B 69 -5.819 10.310 -12.263 1.00 2.25 C ATOM 1888 O PRO B 69 -5.657 9.812 -13.380 1.00 2.62 O ATOM 1889 CB PRO B 69 -6.824 12.529 -11.666 1.00 2.75 C ATOM 1890 CG PRO B 69 -7.919 12.964 -10.759 1.00 2.57 C ATOM 1891 CD PRO B 69 -8.233 11.778 -9.883 1.00 2.06 C ATOM 0 HA PRO B 69 -7.760 10.852 -12.777 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -5.846 12.669 -11.205 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -6.824 13.102 -12.593 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -7.611 13.821 -10.159 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -8.797 13.272 -11.327 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -7.733 11.851 -8.917 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -9.302 11.701 -9.683 1.00 2.06 H new ATOM 1899 N GLN B 70 -4.913 10.223 -11.301 1.00 1.85 N ATOM 1900 CA GLN B 70 -3.638 9.558 -11.520 1.00 1.82 C ATOM 1901 C GLN B 70 -3.442 8.455 -10.493 1.00 1.41 C ATOM 1902 O GLN B 70 -4.277 8.282 -9.600 1.00 1.29 O ATOM 1903 CB GLN B 70 -2.486 10.563 -11.436 1.00 1.93 C ATOM 1904 CG GLN B 70 -2.222 11.099 -10.035 1.00 1.65 C ATOM 1905 CD GLN B 70 -1.116 12.132 -10.020 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -0.953 12.897 -10.967 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -0.329 12.143 -8.959 1.00 2.76 N ATOM 0 H GLN B 70 -5.037 10.604 -10.363 1.00 1.85 H new ATOM 0 HA GLN B 70 -3.643 9.119 -12.518 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -1.578 10.089 -11.808 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -2.702 11.401 -12.098 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -3.136 11.541 -9.638 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -1.955 10.273 -9.376 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -0.497 11.491 -8.192 1.00 2.76 H new ATOM 0 HE22 GLN B 70 0.447 12.803 -8.906 1.00 2.76 H new ATOM 1916 N THR B 71 -2.349 7.712 -10.607 1.00 1.34 N ATOM 1917 CA THR B 71 -2.053 6.687 -9.626 1.00 1.13 C ATOM 1918 C THR B 71 -1.659 7.347 -8.312 1.00 0.85 C ATOM 1919 O THR B 71 -1.008 8.396 -8.291 1.00 0.83 O ATOM 1920 CB THR B 71 -0.916 5.755 -10.102 1.00 1.22 C ATOM 1921 OG1 THR B 71 0.277 6.508 -10.355 1.00 1.53 O ATOM 1922 CG2 THR B 71 -1.323 5.003 -11.362 1.00 1.55 C ATOM 0 H THR B 71 -1.665 7.800 -11.358 1.00 1.34 H new ATOM 0 HA THR B 71 -2.947 6.079 -9.488 1.00 1.13 H new ATOM 0 HB THR B 71 -0.722 5.032 -9.310 1.00 1.22 H new ATOM 0 HG1 THR B 71 0.988 5.904 -10.654 1.00 1.53 H new ATOM 0 HG21 THR B 71 -0.507 4.354 -11.678 1.00 1.55 H new ATOM 0 HG22 THR B 71 -2.207 4.400 -11.156 1.00 1.55 H new ATOM 0 HG23 THR B 71 -1.547 5.716 -12.155 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.047 6.724 -7.215 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.799 7.289 -5.904 1.00 0.66 C ATOM 1932 C LEU B 72 -0.365 7.081 -5.439 1.00 0.66 C ATOM 1933 O LEU B 72 0.158 7.943 -4.755 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.800 6.774 -4.870 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.196 7.404 -4.957 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.090 8.916 -4.841 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.895 7.027 -6.256 1.00 1.79 C ATOM 0 H LEU B 72 -2.534 5.828 -7.207 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.944 8.365 -6.000 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.896 5.694 -4.984 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.397 6.954 -3.873 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.793 7.018 -4.131 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.085 9.356 -4.904 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.637 9.177 -3.884 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.471 9.301 -5.652 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.882 7.490 -6.286 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.304 7.378 -7.102 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.001 5.944 -6.311 1.00 1.79 H new ATOM 1949 N PRO B 73 0.306 5.951 -5.767 1.00 0.75 N ATOM 1950 CA PRO B 73 1.753 5.828 -5.546 1.00 0.84 C ATOM 1951 C PRO B 73 2.533 7.042 -6.065 1.00 0.80 C ATOM 1952 O PRO B 73 3.560 7.417 -5.497 1.00 0.82 O ATOM 1953 CB PRO B 73 2.110 4.566 -6.324 1.00 1.03 C ATOM 1954 CG PRO B 73 0.891 3.724 -6.202 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.266 4.683 -6.280 1.00 0.84 C ATOM 0 HA PRO B 73 2.010 5.777 -4.488 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.341 4.789 -7.366 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.984 4.069 -5.903 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.843 2.984 -7.001 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.884 3.176 -5.260 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.631 4.791 -7.301 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.108 4.348 -5.674 1.00 0.84 H new ATOM 1963 N GLU B 74 2.027 7.671 -7.125 1.00 0.78 N ATOM 1964 CA GLU B 74 2.649 8.877 -7.661 1.00 0.78 C ATOM 1965 C GLU B 74 2.350 10.073 -6.751 1.00 0.64 C ATOM 1966 O GLU B 74 3.180 10.966 -6.573 1.00 0.64 O ATOM 1967 CB GLU B 74 2.155 9.151 -9.079 1.00 0.86 C ATOM 1968 CG GLU B 74 3.008 10.159 -9.828 1.00 1.21 C ATOM 1969 CD GLU B 74 2.526 10.389 -11.242 1.00 1.47 C ATOM 1970 OE1 GLU B 74 2.441 9.411 -12.014 1.00 2.27 O ATOM 1971 OE2 GLU B 74 2.237 11.548 -11.596 1.00 1.67 O ATOM 0 H GLU B 74 1.192 7.366 -7.626 1.00 0.78 H new ATOM 0 HA GLU B 74 3.728 8.725 -7.698 1.00 0.78 H new ATOM 0 HB2 GLU B 74 2.137 8.215 -9.637 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.129 9.516 -9.035 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.004 11.106 -9.288 1.00 1.21 H new ATOM 0 HG3 GLU B 74 4.040 9.810 -9.852 1.00 1.21 H new ATOM 1978 N ILE B 75 1.155 10.084 -6.174 1.00 0.58 N ATOM 1979 CA ILE B 75 0.804 11.069 -5.157 1.00 0.53 C ATOM 1980 C ILE B 75 1.702 10.883 -3.944 1.00 0.49 C ATOM 1981 O ILE B 75 2.175 11.847 -3.343 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.678 10.935 -4.718 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.616 11.394 -5.833 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.952 11.719 -3.437 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.530 12.873 -6.114 1.00 1.37 C ATOM 0 H ILE B 75 0.411 9.421 -6.393 1.00 0.58 H new ATOM 0 HA ILE B 75 0.943 12.061 -5.587 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.867 9.881 -4.515 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.382 10.844 -6.744 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.641 11.142 -5.563 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.999 11.604 -3.157 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.318 11.339 -2.636 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.735 12.774 -3.603 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -2.221 13.132 -6.916 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -1.792 13.430 -5.215 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -0.514 13.128 -6.415 1.00 1.37 H new ATOM 1997 N PHE B 76 1.950 9.626 -3.613 1.00 0.50 N ATOM 1998 CA PHE B 76 2.741 9.280 -2.448 1.00 0.56 C ATOM 1999 C PHE B 76 4.186 9.731 -2.626 1.00 0.59 C ATOM 2000 O PHE B 76 4.765 10.327 -1.725 1.00 0.72 O ATOM 2001 CB PHE B 76 2.684 7.771 -2.179 1.00 0.65 C ATOM 2002 CG PHE B 76 1.288 7.214 -2.048 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.207 8.042 -1.776 1.00 2.12 C ATOM 2004 CD2 PHE B 76 1.059 5.856 -2.204 1.00 2.34 C ATOM 2005 CE1 PHE B 76 -1.069 7.526 -1.665 1.00 2.24 C ATOM 2006 CE2 PHE B 76 -0.217 5.336 -2.094 1.00 2.35 C ATOM 2007 CZ PHE B 76 -1.281 6.173 -1.824 1.00 2.37 C ATOM 0 H PHE B 76 1.610 8.823 -4.142 1.00 0.50 H new ATOM 0 HA PHE B 76 2.319 9.799 -1.587 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.195 7.250 -2.989 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.235 7.556 -1.264 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.366 9.103 -1.650 1.00 2.12 H new ATOM 0 HD2 PHE B 76 1.888 5.196 -2.414 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -1.901 8.182 -1.454 1.00 2.24 H new ATOM 0 HE2 PHE B 76 -0.381 4.276 -2.219 1.00 2.35 H new ATOM 0 HZ PHE B 76 -2.279 5.768 -1.737 1.00 2.37 H new ATOM 2017 N GLU B 77 4.760 9.478 -3.799 1.00 0.62 N ATOM 2018 CA GLU B 77 6.145 9.861 -4.050 1.00 0.73 C ATOM 2019 C GLU B 77 6.304 11.381 -4.019 1.00 0.69 C ATOM 2020 O GLU B 77 7.412 11.892 -3.852 1.00 0.79 O ATOM 2021 CB GLU B 77 6.652 9.284 -5.378 1.00 0.89 C ATOM 2022 CG GLU B 77 5.953 9.827 -6.607 1.00 1.56 C ATOM 2023 CD GLU B 77 6.436 9.167 -7.880 1.00 1.93 C ATOM 2024 OE1 GLU B 77 6.258 7.938 -8.026 1.00 2.51 O ATOM 2025 OE2 GLU B 77 7.018 9.864 -8.734 1.00 2.40 O ATOM 0 H GLU B 77 4.295 9.016 -4.580 1.00 0.62 H new ATOM 0 HA GLU B 77 6.756 9.439 -3.252 1.00 0.73 H new ATOM 0 HB2 GLU B 77 7.720 9.487 -5.464 1.00 0.89 H new ATOM 0 HB3 GLU B 77 6.534 8.201 -5.357 1.00 0.89 H new ATOM 0 HG2 GLU B 77 4.878 9.676 -6.507 1.00 1.56 H new ATOM 0 HG3 GLU B 77 6.120 10.902 -6.672 1.00 1.56 H new ATOM 2032 N ALA B 78 5.198 12.095 -4.176 1.00 0.60 N ATOM 2033 CA ALA B 78 5.204 13.544 -4.046 1.00 0.61 C ATOM 2034 C ALA B 78 4.990 13.968 -2.590 1.00 0.60 C ATOM 2035 O ALA B 78 5.877 14.550 -1.964 1.00 0.64 O ATOM 2036 CB ALA B 78 4.140 14.159 -4.941 1.00 0.64 C ATOM 0 H ALA B 78 4.286 11.694 -4.394 1.00 0.60 H new ATOM 0 HA ALA B 78 6.181 13.908 -4.362 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.156 15.244 -4.833 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.341 13.895 -5.979 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.159 13.780 -4.653 1.00 0.64 H new ATOM 2042 N ALA B 79 3.818 13.647 -2.049 1.00 0.64 N ATOM 2043 CA ALA B 79 3.427 14.098 -0.715 1.00 0.75 C ATOM 2044 C ALA B 79 4.219 13.406 0.384 1.00 0.86 C ATOM 2045 O ALA B 79 4.777 14.058 1.266 1.00 0.99 O ATOM 2046 CB ALA B 79 1.945 13.856 -0.494 1.00 0.83 C ATOM 0 H ALA B 79 3.117 13.072 -2.517 1.00 0.64 H new ATOM 0 HA ALA B 79 3.645 15.165 -0.663 1.00 0.75 H new ATOM 0 HB1 ALA B 79 1.666 14.196 0.503 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.371 14.407 -1.239 1.00 0.83 H new ATOM 0 HB3 ALA B 79 1.732 12.791 -0.587 1.00 0.83 H new ATOM 2052 N ALA B 80 4.276 12.087 0.311 1.00 0.90 N ATOM 2053 CA ALA B 80 4.879 11.276 1.359 1.00 1.11 C ATOM 2054 C ALA B 80 6.403 11.400 1.355 1.00 1.26 C ATOM 2055 O ALA B 80 7.073 10.949 2.279 1.00 1.55 O ATOM 2056 CB ALA B 80 4.438 9.827 1.204 1.00 1.25 C ATOM 0 H ALA B 80 3.907 11.548 -0.473 1.00 0.90 H new ATOM 0 HA ALA B 80 4.535 11.644 2.326 1.00 1.11 H new ATOM 0 HB1 ALA B 80 4.891 9.223 1.990 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.352 9.767 1.280 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.754 9.453 0.230 1.00 1.25 H new ATOM 2062 N THR B 81 6.949 11.979 0.299 1.00 1.23 N ATOM 2063 CA THR B 81 8.367 12.270 0.243 1.00 1.46 C ATOM 2064 C THR B 81 8.621 13.742 0.580 1.00 1.63 C ATOM 2065 O THR B 81 9.730 14.129 0.949 1.00 1.88 O ATOM 2066 CB THR B 81 8.925 11.947 -1.154 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.616 10.592 -1.496 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.427 12.145 -1.209 1.00 1.64 C ATOM 0 H THR B 81 6.428 12.257 -0.533 1.00 1.23 H new ATOM 0 HA THR B 81 8.877 11.647 0.978 1.00 1.46 H new ATOM 0 HB THR B 81 8.461 12.629 -1.866 1.00 1.59 H new ATOM 0 HG1 THR B 81 9.317 10.000 -1.152 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.789 11.908 -2.210 1.00 1.64 H new ATOM 0 HG22 THR B 81 10.666 13.182 -0.973 1.00 1.64 H new ATOM 0 HG23 THR B 81 10.907 11.487 -0.484 1.00 1.64 H new ATOM 2076 N GLY B 82 7.571 14.548 0.490 1.00 1.68 N ATOM 2077 CA GLY B 82 7.709 15.975 0.695 1.00 2.13 C ATOM 2078 C GLY B 82 7.470 16.386 2.131 1.00 1.99 C ATOM 2079 O GLY B 82 6.739 17.342 2.395 1.00 2.59 O ATOM 0 H GLY B 82 6.623 14.237 0.278 1.00 1.68 H new ATOM 0 HA2 GLY B 82 8.710 16.286 0.395 1.00 2.13 H new ATOM 0 HA3 GLY B 82 7.005 16.500 0.049 1.00 2.13 H new ATOM 2083 N LYS B 83 8.080 15.665 3.058 1.00 1.88 N ATOM 2084 CA LYS B 83 7.984 15.993 4.468 1.00 2.11 C ATOM 2085 C LYS B 83 9.178 15.418 5.215 1.00 2.84 C ATOM 2086 O LYS B 83 10.056 16.204 5.624 1.00 3.19 O ATOM 2087 CB LYS B 83 6.674 15.471 5.064 1.00 2.30 C ATOM 2088 CG LYS B 83 6.347 16.076 6.421 1.00 2.77 C ATOM 2089 CD LYS B 83 4.952 15.692 6.883 1.00 3.43 C ATOM 2090 CE LYS B 83 4.521 16.517 8.085 1.00 3.92 C ATOM 2091 NZ LYS B 83 3.121 16.219 8.491 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.256 14.182 5.363 1.00 3.61 O ATOM 0 H LYS B 83 8.650 14.844 2.855 1.00 1.88 H new ATOM 0 HA LYS B 83 7.989 17.078 4.573 1.00 2.11 H new ATOM 0 HB2 LYS B 83 5.858 15.684 4.373 1.00 2.30 H new ATOM 0 HB3 LYS B 83 6.734 14.387 5.162 1.00 2.30 H new ATOM 0 HG2 LYS B 83 7.079 15.741 7.155 1.00 2.77 H new ATOM 0 HG3 LYS B 83 6.426 17.162 6.365 1.00 2.77 H new ATOM 0 HD2 LYS B 83 4.244 15.837 6.067 1.00 3.43 H new ATOM 0 HD3 LYS B 83 4.930 14.633 7.140 1.00 3.43 H new ATOM 0 HE2 LYS B 83 5.191 16.318 8.921 1.00 3.92 H new ATOM 0 HE3 LYS B 83 4.612 17.577 7.849 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 2.866 16.802 9.314 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 2.478 16.433 7.702 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 3.039 15.213 8.741 1.00 4.40 H new TER 2106 LYS B 83