USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot -97:sc= 1.21 USER MOD Set 1.2: A 19 ASN : amide:sc= 1.02 K(o=2.2,f=-3.2!) USER MOD Set 2.1: A 2 ASN : amide:sc= 0.878 K(o=0.99,f=-6.3!) USER MOD Set 2.2: A 6 SER OG : rot 47:sc= 0.114 USER MOD Single : A 1 LYS NZ :NH3+ -135:sc= -0.851 (180deg=-3.08!) USER MOD Single : A 8 MET CE :methyl -145:sc= -0.18 (180deg=-0.857) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 165:sc= -0.0451 (180deg=-0.397) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.78) USER MOD Single : A 20 SER OG : rot 74:sc= 1.28 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.935 K(o=-0.93,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0425) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00564 USER MOD Single : A 32 SER OG : rot -46:sc= 0.656 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -159:sc= -0.228 (180deg=-0.768) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -43:sc= 0.394 USER MOD Single : A 62 LYS NZ :NH3+ -141:sc= 2.43 (180deg=0.813) USER MOD Single : A 63 GLN : amide:sc= -1.02 K(o=-1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 5.508 7.353 28.182 1.00 20.00 N ATOM 2 CA MET A -7 4.146 7.489 27.627 1.00 20.00 C ATOM 3 C MET A -7 4.060 8.714 26.724 1.00 20.00 C ATOM 4 O MET A -7 4.063 8.582 25.499 1.00 20.00 O ATOM 5 CB MET A -7 3.118 7.589 28.761 1.00 20.00 C ATOM 6 CG MET A -7 1.688 7.791 28.284 1.00 20.00 C ATOM 7 SD MET A -7 1.110 6.463 27.210 1.00 20.00 S ATOM 8 CE MET A -7 1.156 5.067 28.332 1.00 20.00 C ATOM 0 H1 MET A -7 5.551 6.514 28.795 1.00 20.00 H new ATOM 0 H2 MET A -7 6.191 7.249 27.405 1.00 20.00 H new ATOM 0 H3 MET A -7 5.743 8.200 28.738 1.00 20.00 H new ATOM 0 HA MET A -7 3.923 6.604 27.031 1.00 20.00 H new ATOM 0 HB2 MET A -7 3.165 6.680 29.361 1.00 20.00 H new ATOM 0 HB3 MET A -7 3.393 8.417 29.414 1.00 20.00 H new ATOM 0 HG2 MET A -7 1.029 7.864 29.149 1.00 20.00 H new ATOM 0 HG3 MET A -7 1.619 8.739 27.750 1.00 20.00 H new ATOM 0 HE1 MET A -7 0.585 4.241 27.908 1.00 20.00 H new ATOM 0 HE2 MET A -7 2.189 4.755 28.482 1.00 20.00 H new ATOM 0 HE3 MET A -7 0.721 5.355 29.289 1.00 20.00 H new ATOM 20 N ASP A -6 4.011 9.897 27.340 1.00 20.00 N ATOM 21 CA ASP A -6 3.936 11.169 26.617 1.00 20.00 C ATOM 22 C ASP A -6 2.630 11.279 25.830 1.00 20.00 C ATOM 23 O ASP A -6 2.524 10.786 24.705 1.00 20.00 O ATOM 24 CB ASP A -6 5.143 11.347 25.689 1.00 20.00 C ATOM 25 CG ASP A -6 5.112 12.660 24.933 1.00 20.00 C ATOM 26 OD1 ASP A -6 5.215 13.726 25.575 1.00 20.00 O ATOM 27 OD2 ASP A -6 5.006 12.629 23.689 1.00 20.00 O ATOM 0 H ASP A -6 4.022 10.001 28.355 1.00 20.00 H new ATOM 0 HA ASP A -6 3.954 11.970 27.355 1.00 20.00 H new ATOM 0 HB2 ASP A -6 6.059 11.293 26.277 1.00 20.00 H new ATOM 0 HB3 ASP A -6 5.173 10.523 24.976 1.00 20.00 H new ATOM 32 N TYR A -5 1.641 11.921 26.451 1.00 20.00 N ATOM 33 CA TYR A -5 0.317 12.120 25.859 1.00 20.00 C ATOM 34 C TYR A -5 -0.416 10.796 25.673 1.00 20.00 C ATOM 35 O TYR A -5 -0.403 10.201 24.595 1.00 20.00 O ATOM 36 CB TYR A -5 0.407 12.880 24.531 1.00 20.00 C ATOM 37 CG TYR A -5 0.801 14.332 24.697 1.00 20.00 C ATOM 38 CD1 TYR A -5 -0.025 15.222 25.374 1.00 20.00 C ATOM 39 CD2 TYR A -5 2.001 14.812 24.186 1.00 20.00 C ATOM 40 CE1 TYR A -5 0.331 16.548 25.533 1.00 20.00 C ATOM 41 CE2 TYR A -5 2.361 16.135 24.340 1.00 20.00 C ATOM 42 CZ TYR A -5 1.526 16.997 25.015 1.00 20.00 C ATOM 43 OH TYR A -5 1.886 18.317 25.171 1.00 20.00 O ATOM 0 H TYR A -5 1.736 12.320 27.385 1.00 20.00 H new ATOM 0 HA TYR A -5 -0.259 12.727 26.557 1.00 20.00 H new ATOM 0 HB2 TYR A -5 1.133 12.385 23.886 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -0.557 12.828 24.025 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -0.961 14.871 25.783 1.00 20.00 H new ATOM 0 HD2 TYR A -5 2.662 14.139 23.660 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -0.323 17.227 26.060 1.00 20.00 H new ATOM 0 HE2 TYR A -5 3.295 16.493 23.932 1.00 20.00 H new ATOM 0 HH TYR A -5 2.757 18.471 24.749 1.00 20.00 H new ATOM 53 N LYS A -4 -1.073 10.351 26.734 1.00 20.00 N ATOM 54 CA LYS A -4 -1.833 9.107 26.712 1.00 20.00 C ATOM 55 C LYS A -4 -3.246 9.375 26.184 1.00 20.00 C ATOM 56 O LYS A -4 -4.245 9.046 26.827 1.00 20.00 O ATOM 57 CB LYS A -4 -1.886 8.506 28.125 1.00 20.00 C ATOM 58 CG LYS A -4 -2.518 7.122 28.201 1.00 20.00 C ATOM 59 CD LYS A -4 -2.665 6.671 29.644 1.00 20.00 C ATOM 60 CE LYS A -4 -3.375 5.332 29.745 1.00 20.00 C ATOM 61 NZ LYS A -4 -3.586 4.928 31.161 1.00 20.00 N ATOM 0 H LYS A -4 -1.095 10.838 27.630 1.00 20.00 H new ATOM 0 HA LYS A -4 -1.344 8.392 26.050 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -0.872 8.450 28.520 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -2.444 9.182 28.773 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -3.496 7.138 27.719 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -1.904 6.407 27.653 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -1.680 6.596 30.104 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -3.222 7.421 30.205 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -4.337 5.391 29.236 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -2.789 4.569 29.232 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -4.073 4.010 31.191 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -2.666 4.848 31.640 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -4.166 5.644 31.643 1.00 20.00 H new ATOM 75 N ASP A -3 -3.322 9.986 25.010 1.00 20.00 N ATOM 76 CA ASP A -3 -4.603 10.355 24.426 1.00 20.00 C ATOM 77 C ASP A -3 -4.670 9.926 22.968 1.00 20.00 C ATOM 78 O ASP A -3 -4.606 10.754 22.061 1.00 20.00 O ATOM 79 CB ASP A -3 -4.840 11.867 24.542 1.00 20.00 C ATOM 80 CG ASP A -3 -4.994 12.331 25.978 1.00 20.00 C ATOM 81 OD1 ASP A -3 -5.995 11.964 26.628 1.00 20.00 O ATOM 82 OD2 ASP A -3 -4.117 13.076 26.465 1.00 20.00 O ATOM 0 H ASP A -3 -2.512 10.236 24.444 1.00 20.00 H new ATOM 0 HA ASP A -3 -5.387 9.838 24.980 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -4.006 12.397 24.082 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -5.736 12.134 23.981 1.00 20.00 H new ATOM 87 N ASP A -2 -4.787 8.625 22.752 1.00 20.00 N ATOM 88 CA ASP A -2 -4.887 8.073 21.404 1.00 20.00 C ATOM 89 C ASP A -2 -6.200 8.482 20.754 1.00 20.00 C ATOM 90 O ASP A -2 -6.252 8.818 19.571 1.00 20.00 O ATOM 91 CB ASP A -2 -4.780 6.546 21.427 1.00 20.00 C ATOM 92 CG ASP A -2 -3.420 6.057 21.882 1.00 20.00 C ATOM 93 OD1 ASP A -2 -2.501 5.976 21.039 1.00 20.00 O ATOM 94 OD2 ASP A -2 -3.264 5.744 23.083 1.00 20.00 O ATOM 0 H ASP A -2 -4.815 7.926 23.495 1.00 20.00 H new ATOM 0 HA ASP A -2 -4.058 8.474 20.820 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -5.546 6.143 22.090 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -4.985 6.157 20.430 1.00 20.00 H new ATOM 99 N ASP A -1 -7.255 8.442 21.566 1.00 20.00 N ATOM 100 CA ASP A -1 -8.600 8.866 21.169 1.00 20.00 C ATOM 101 C ASP A -1 -9.152 7.985 20.048 1.00 20.00 C ATOM 102 O ASP A -1 -9.992 8.411 19.261 1.00 20.00 O ATOM 103 CB ASP A -1 -8.603 10.347 20.756 1.00 20.00 C ATOM 104 CG ASP A -1 -9.999 10.942 20.664 1.00 20.00 C ATOM 105 OD1 ASP A -1 -10.632 11.156 21.720 1.00 20.00 O ATOM 106 OD2 ASP A -1 -10.462 11.218 19.538 1.00 20.00 O ATOM 0 H ASP A -1 -7.201 8.111 22.529 1.00 20.00 H new ATOM 0 HA ASP A -1 -9.256 8.751 22.032 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -8.018 10.919 21.476 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -8.108 10.449 19.790 1.00 20.00 H new ATOM 111 N ASP A 0 -8.690 6.739 19.988 1.00 20.00 N ATOM 112 CA ASP A 0 -9.200 5.791 18.999 1.00 20.00 C ATOM 113 C ASP A 0 -10.582 5.318 19.406 1.00 20.00 C ATOM 114 O ASP A 0 -11.490 5.222 18.583 1.00 20.00 O ATOM 115 CB ASP A 0 -8.271 4.586 18.840 1.00 20.00 C ATOM 116 CG ASP A 0 -6.929 4.951 18.248 1.00 20.00 C ATOM 117 OD1 ASP A 0 -6.889 5.398 17.083 1.00 20.00 O ATOM 118 OD2 ASP A 0 -5.907 4.771 18.939 1.00 20.00 O ATOM 0 H ASP A 0 -7.970 6.364 20.606 1.00 20.00 H new ATOM 0 HA ASP A 0 -9.251 6.306 18.040 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -8.118 4.121 19.814 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -8.753 3.844 18.204 1.00 20.00 H new ATOM 123 N LYS A 1 -10.735 5.035 20.693 1.00 20.00 N ATOM 124 CA LYS A 1 -12.029 4.669 21.249 1.00 20.00 C ATOM 125 C LYS A 1 -12.766 5.937 21.677 1.00 20.00 C ATOM 126 O LYS A 1 -13.888 5.890 22.178 1.00 20.00 O ATOM 127 CB LYS A 1 -11.845 3.710 22.438 1.00 20.00 C ATOM 128 CG LYS A 1 -13.149 3.147 22.993 1.00 20.00 C ATOM 129 CD LYS A 1 -12.923 2.101 24.082 1.00 20.00 C ATOM 130 CE LYS A 1 -12.457 2.707 25.406 1.00 20.00 C ATOM 131 NZ LYS A 1 -11.030 3.131 25.385 1.00 20.00 N ATOM 0 H LYS A 1 -9.975 5.052 21.373 1.00 20.00 H new ATOM 0 HA LYS A 1 -12.622 4.153 20.494 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -11.208 2.882 22.128 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -11.320 4.235 23.236 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -13.749 3.962 23.397 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -13.723 2.701 22.180 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -13.849 1.551 24.247 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -12.181 1.381 23.738 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -13.082 3.568 25.644 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -12.601 1.978 26.203 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -10.561 2.815 26.258 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -10.554 2.707 24.563 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -10.977 4.168 25.319 1.00 20.00 H new ATOM 145 N ASN A 2 -12.095 7.069 21.454 1.00 20.00 N ATOM 146 CA ASN A 2 -12.616 8.400 21.761 1.00 20.00 C ATOM 147 C ASN A 2 -12.622 8.653 23.267 1.00 20.00 C ATOM 148 O ASN A 2 -13.048 7.807 24.054 1.00 20.00 O ATOM 149 CB ASN A 2 -14.011 8.599 21.163 1.00 20.00 C ATOM 150 CG ASN A 2 -14.511 10.021 21.319 1.00 20.00 C ATOM 151 OD1 ASN A 2 -15.200 10.346 22.282 1.00 20.00 O ATOM 152 ND2 ASN A 2 -14.169 10.874 20.371 1.00 20.00 N ATOM 0 H ASN A 2 -11.159 7.085 21.048 1.00 20.00 H new ATOM 0 HA ASN A 2 -11.951 9.132 21.302 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -13.990 8.339 20.105 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -14.710 7.916 21.645 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -14.479 11.844 20.422 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -13.595 10.563 19.588 1.00 20.00 H new ATOM 159 N ARG A 3 -12.137 9.820 23.666 1.00 20.00 N ATOM 160 CA ARG A 3 -11.981 10.158 25.080 1.00 20.00 C ATOM 161 C ARG A 3 -13.300 10.602 25.711 1.00 20.00 C ATOM 162 O ARG A 3 -13.380 11.684 26.293 1.00 20.00 O ATOM 163 CB ARG A 3 -10.935 11.264 25.226 1.00 20.00 C ATOM 164 CG ARG A 3 -9.549 10.851 24.763 1.00 20.00 C ATOM 165 CD ARG A 3 -8.703 12.058 24.403 1.00 20.00 C ATOM 166 NE ARG A 3 -8.475 12.943 25.542 1.00 20.00 N ATOM 167 CZ ARG A 3 -8.176 14.235 25.429 1.00 20.00 C ATOM 168 NH1 ARG A 3 -8.160 14.817 24.233 1.00 20.00 N ATOM 169 NH2 ARG A 3 -7.905 14.949 26.514 1.00 20.00 N ATOM 0 H ARG A 3 -11.841 10.557 23.026 1.00 20.00 H new ATOM 0 HA ARG A 3 -11.653 9.261 25.606 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -11.256 12.135 24.654 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -10.884 11.570 26.271 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -9.056 10.281 25.550 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -9.634 10.193 23.898 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -7.743 11.721 24.012 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -9.194 12.617 23.606 1.00 20.00 H new ATOM 0 HE ARG A 3 -8.549 12.548 26.479 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -8.377 14.273 23.398 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -7.930 15.807 24.151 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -7.926 14.508 27.433 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -7.676 15.939 26.429 1.00 20.00 H new ATOM 183 N ALA A 4 -14.323 9.756 25.588 1.00 20.00 N ATOM 184 CA ALA A 4 -15.640 10.014 26.172 1.00 20.00 C ATOM 185 C ALA A 4 -16.202 11.360 25.719 1.00 20.00 C ATOM 186 O ALA A 4 -16.932 12.026 26.451 1.00 20.00 O ATOM 187 CB ALA A 4 -15.571 9.941 27.692 1.00 20.00 C ATOM 0 H ALA A 4 -14.262 8.873 25.081 1.00 20.00 H new ATOM 0 HA ALA A 4 -16.320 9.240 25.816 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -16.558 10.135 28.111 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -15.238 8.948 27.994 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -14.867 10.687 28.061 1.00 20.00 H new ATOM 193 N LEU A 5 -15.859 11.751 24.501 1.00 20.00 N ATOM 194 CA LEU A 5 -16.314 13.015 23.944 1.00 20.00 C ATOM 195 C LEU A 5 -17.554 12.790 23.091 1.00 20.00 C ATOM 196 O LEU A 5 -18.171 13.739 22.608 1.00 20.00 O ATOM 197 CB LEU A 5 -15.206 13.655 23.102 1.00 20.00 C ATOM 198 CG LEU A 5 -13.891 13.918 23.839 1.00 20.00 C ATOM 199 CD1 LEU A 5 -12.841 14.444 22.876 1.00 20.00 C ATOM 200 CD2 LEU A 5 -14.094 14.898 24.986 1.00 20.00 C ATOM 0 H LEU A 5 -15.263 11.207 23.877 1.00 20.00 H new ATOM 0 HA LEU A 5 -16.563 13.690 24.763 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -15.002 13.008 22.249 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -15.575 14.600 22.704 1.00 20.00 H new ATOM 0 HG LEU A 5 -13.543 12.973 24.257 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -11.911 14.626 23.415 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -12.667 13.709 22.091 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -13.190 15.375 22.430 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -13.144 15.067 25.493 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -14.470 15.843 24.595 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -14.814 14.486 25.693 1.00 20.00 H new ATOM 212 N SER A 6 -17.910 11.526 22.914 1.00 20.00 N ATOM 213 CA SER A 6 -19.072 11.160 22.130 1.00 20.00 C ATOM 214 C SER A 6 -19.928 10.140 22.885 1.00 20.00 C ATOM 215 O SER A 6 -19.642 8.942 22.875 1.00 20.00 O ATOM 216 CB SER A 6 -18.628 10.607 20.773 1.00 20.00 C ATOM 217 OG SER A 6 -17.581 9.663 20.921 1.00 20.00 O ATOM 0 H SER A 6 -17.403 10.733 23.308 1.00 20.00 H new ATOM 0 HA SER A 6 -19.682 12.047 21.960 1.00 20.00 H new ATOM 0 HB2 SER A 6 -19.476 10.138 20.274 1.00 20.00 H new ATOM 0 HB3 SER A 6 -18.295 11.426 20.135 1.00 20.00 H new ATOM 0 HG SER A 6 -17.806 9.035 21.639 1.00 20.00 H new ATOM 223 N PRO A 7 -20.989 10.615 23.561 1.00 20.00 N ATOM 224 CA PRO A 7 -21.880 9.755 24.349 1.00 20.00 C ATOM 225 C PRO A 7 -22.853 8.968 23.471 1.00 20.00 C ATOM 226 O PRO A 7 -23.778 8.320 23.968 1.00 20.00 O ATOM 227 CB PRO A 7 -22.634 10.752 25.230 1.00 20.00 C ATOM 228 CG PRO A 7 -22.660 12.016 24.441 1.00 20.00 C ATOM 229 CD PRO A 7 -21.399 12.032 23.616 1.00 20.00 C ATOM 0 HA PRO A 7 -21.333 8.997 24.910 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -23.643 10.402 25.449 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -22.131 10.893 26.187 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -23.542 12.056 23.802 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -22.704 12.883 25.100 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -21.580 12.434 22.619 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -20.630 12.652 24.075 1.00 20.00 H new ATOM 237 N MET A 8 -22.639 9.039 22.168 1.00 20.00 N ATOM 238 CA MET A 8 -23.431 8.294 21.208 1.00 20.00 C ATOM 239 C MET A 8 -22.600 8.041 19.959 1.00 20.00 C ATOM 240 O MET A 8 -21.829 8.906 19.536 1.00 20.00 O ATOM 241 CB MET A 8 -24.710 9.057 20.848 1.00 20.00 C ATOM 242 CG MET A 8 -24.459 10.387 20.155 1.00 20.00 C ATOM 243 SD MET A 8 -25.979 11.233 19.684 1.00 20.00 S ATOM 244 CE MET A 8 -26.733 10.013 18.612 1.00 20.00 C ATOM 0 H MET A 8 -21.910 9.616 21.747 1.00 20.00 H new ATOM 0 HA MET A 8 -23.721 7.342 21.652 1.00 20.00 H new ATOM 0 HB2 MET A 8 -25.325 8.431 20.201 1.00 20.00 H new ATOM 0 HB3 MET A 8 -25.284 9.235 21.758 1.00 20.00 H new ATOM 0 HG2 MET A 8 -23.881 11.032 20.817 1.00 20.00 H new ATOM 0 HG3 MET A 8 -23.853 10.218 19.265 1.00 20.00 H new ATOM 0 HE1 MET A 8 -27.264 10.517 17.805 1.00 20.00 H new ATOM 0 HE2 MET A 8 -25.959 9.370 18.192 1.00 20.00 H new ATOM 0 HE3 MET A 8 -27.435 9.408 19.186 1.00 20.00 H new ATOM 254 N VAL A 9 -22.737 6.857 19.386 1.00 20.00 N ATOM 255 CA VAL A 9 -22.007 6.519 18.175 1.00 20.00 C ATOM 256 C VAL A 9 -22.610 7.250 16.975 1.00 20.00 C ATOM 257 O VAL A 9 -23.779 7.056 16.629 1.00 20.00 O ATOM 258 CB VAL A 9 -21.960 4.987 17.929 1.00 20.00 C ATOM 259 CG1 VAL A 9 -23.355 4.373 17.941 1.00 20.00 C ATOM 260 CG2 VAL A 9 -21.245 4.669 16.620 1.00 20.00 C ATOM 0 H VAL A 9 -23.344 6.116 19.738 1.00 20.00 H new ATOM 0 HA VAL A 9 -20.976 6.848 18.306 1.00 20.00 H new ATOM 0 HB VAL A 9 -21.395 4.542 18.749 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -23.282 3.300 17.765 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -23.823 4.551 18.909 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -23.960 4.828 17.157 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -21.225 3.590 16.469 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -21.774 5.141 15.792 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -20.224 5.049 16.661 1.00 20.00 H new ATOM 270 N SER A 10 -21.814 8.118 16.374 1.00 20.00 N ATOM 271 CA SER A 10 -22.274 8.952 15.274 1.00 20.00 C ATOM 272 C SER A 10 -22.544 8.122 14.022 1.00 20.00 C ATOM 273 O SER A 10 -21.668 7.393 13.550 1.00 20.00 O ATOM 274 CB SER A 10 -21.235 10.031 14.967 1.00 20.00 C ATOM 275 OG SER A 10 -20.870 10.740 16.142 1.00 20.00 O ATOM 0 H SER A 10 -20.838 8.265 16.631 1.00 20.00 H new ATOM 0 HA SER A 10 -23.210 9.422 15.577 1.00 20.00 H new ATOM 0 HB2 SER A 10 -20.350 9.573 14.526 1.00 20.00 H new ATOM 0 HB3 SER A 10 -21.635 10.726 14.229 1.00 20.00 H new ATOM 0 HG SER A 10 -20.203 11.423 15.918 1.00 20.00 H new ATOM 281 N GLU A 11 -23.768 8.238 13.505 1.00 20.00 N ATOM 282 CA GLU A 11 -24.161 7.607 12.248 1.00 20.00 C ATOM 283 C GLU A 11 -24.006 6.090 12.308 1.00 20.00 C ATOM 284 O GLU A 11 -23.152 5.506 11.640 1.00 20.00 O ATOM 285 CB GLU A 11 -23.347 8.188 11.089 1.00 20.00 C ATOM 286 CG GLU A 11 -23.461 9.699 10.966 1.00 20.00 C ATOM 287 CD GLU A 11 -24.892 10.163 10.790 1.00 20.00 C ATOM 288 OE1 GLU A 11 -25.612 10.301 11.801 1.00 20.00 O ATOM 289 OE2 GLU A 11 -25.310 10.379 9.635 1.00 20.00 O ATOM 0 H GLU A 11 -24.515 8.773 13.948 1.00 20.00 H new ATOM 0 HA GLU A 11 -25.217 7.820 12.081 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -22.299 7.920 11.221 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -23.678 7.729 10.157 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -23.039 10.165 11.856 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -22.867 10.037 10.117 1.00 20.00 H new ATOM 296 N PHE A 12 -24.842 5.461 13.115 1.00 20.00 N ATOM 297 CA PHE A 12 -24.839 4.014 13.249 1.00 20.00 C ATOM 298 C PHE A 12 -26.221 3.465 12.912 1.00 20.00 C ATOM 299 O PHE A 12 -26.982 3.053 13.789 1.00 20.00 O ATOM 300 CB PHE A 12 -24.427 3.612 14.667 1.00 20.00 C ATOM 301 CG PHE A 12 -24.247 2.126 14.859 1.00 20.00 C ATOM 302 CD1 PHE A 12 -23.212 1.452 14.228 1.00 20.00 C ATOM 303 CD2 PHE A 12 -25.109 1.405 15.675 1.00 20.00 C ATOM 304 CE1 PHE A 12 -23.043 0.093 14.403 1.00 20.00 C ATOM 305 CE2 PHE A 12 -24.943 0.045 15.851 1.00 20.00 C ATOM 306 CZ PHE A 12 -23.910 -0.611 15.216 1.00 20.00 C ATOM 0 H PHE A 12 -25.537 5.934 13.692 1.00 20.00 H new ATOM 0 HA PHE A 12 -24.114 3.591 12.553 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -23.494 4.116 14.919 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -25.181 3.969 15.368 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -22.530 1.997 13.592 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -25.918 1.913 16.178 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -22.233 -0.419 13.905 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -25.622 -0.504 16.486 1.00 20.00 H new ATOM 0 HZ PHE A 12 -23.779 -1.674 15.354 1.00 20.00 H new ATOM 316 N GLU A 13 -26.551 3.497 11.637 1.00 20.00 N ATOM 317 CA GLU A 13 -27.836 3.012 11.166 1.00 20.00 C ATOM 318 C GLU A 13 -27.636 1.842 10.210 1.00 20.00 C ATOM 319 O GLU A 13 -26.535 1.303 10.104 1.00 20.00 O ATOM 320 CB GLU A 13 -28.622 4.141 10.480 1.00 20.00 C ATOM 321 CG GLU A 13 -28.001 4.659 9.186 1.00 20.00 C ATOM 322 CD GLU A 13 -26.744 5.478 9.405 1.00 20.00 C ATOM 323 OE1 GLU A 13 -26.859 6.698 9.657 1.00 20.00 O ATOM 324 OE2 GLU A 13 -25.636 4.910 9.313 1.00 20.00 O ATOM 0 H GLU A 13 -25.943 3.857 10.902 1.00 20.00 H new ATOM 0 HA GLU A 13 -28.414 2.668 12.024 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.630 3.785 10.266 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -28.720 4.973 11.178 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.766 3.813 8.541 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -28.735 5.268 8.658 1.00 20.00 H new ATOM 331 N THR A 14 -28.703 1.438 9.542 1.00 20.00 N ATOM 332 CA THR A 14 -28.625 0.381 8.553 1.00 20.00 C ATOM 333 C THR A 14 -29.597 0.663 7.405 1.00 20.00 C ATOM 334 O THR A 14 -30.778 0.315 7.453 1.00 20.00 O ATOM 335 CB THR A 14 -28.873 -1.016 9.185 1.00 20.00 C ATOM 336 OG1 THR A 14 -28.853 -2.037 8.180 1.00 20.00 O ATOM 337 CG2 THR A 14 -30.188 -1.070 9.951 1.00 20.00 C ATOM 0 H THR A 14 -29.637 1.829 9.669 1.00 20.00 H new ATOM 0 HA THR A 14 -27.613 0.364 8.149 1.00 20.00 H new ATOM 0 HB THR A 14 -28.065 -1.193 9.894 1.00 20.00 H new ATOM 0 HG1 THR A 14 -29.771 -2.248 7.910 1.00 20.00 H new ATOM 0 HG21 THR A 14 -30.321 -2.065 10.376 1.00 20.00 H new ATOM 0 HG22 THR A 14 -30.173 -0.332 10.753 1.00 20.00 H new ATOM 0 HG23 THR A 14 -31.013 -0.852 9.273 1.00 20.00 H new ATOM 345 N ILE A 15 -29.092 1.338 6.382 1.00 20.00 N ATOM 346 CA ILE A 15 -29.898 1.697 5.220 1.00 20.00 C ATOM 347 C ILE A 15 -30.145 0.488 4.321 1.00 20.00 C ATOM 348 O ILE A 15 -29.615 -0.593 4.577 1.00 20.00 O ATOM 349 CB ILE A 15 -29.235 2.820 4.388 1.00 20.00 C ATOM 350 CG1 ILE A 15 -27.840 2.391 3.926 1.00 20.00 C ATOM 351 CG2 ILE A 15 -29.163 4.108 5.194 1.00 20.00 C ATOM 352 CD1 ILE A 15 -27.184 3.360 2.970 1.00 20.00 C ATOM 0 H ILE A 15 -28.122 1.650 6.332 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.851 2.060 5.604 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.846 3.004 3.505 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.200 2.270 4.800 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -27.912 1.415 3.446 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -28.694 4.887 4.593 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.170 4.420 5.471 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.574 3.941 6.096 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -26.200 2.985 2.690 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -27.800 3.464 2.077 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -27.078 4.332 3.453 1.00 20.00 H new ATOM 364 N GLU A 16 -30.939 0.675 3.269 1.00 20.00 N ATOM 365 CA GLU A 16 -31.264 -0.407 2.337 1.00 20.00 C ATOM 366 C GLU A 16 -30.001 -1.113 1.834 1.00 20.00 C ATOM 367 O GLU A 16 -29.951 -2.342 1.755 1.00 20.00 O ATOM 368 CB GLU A 16 -32.065 0.135 1.147 1.00 20.00 C ATOM 369 CG GLU A 16 -31.343 1.216 0.359 1.00 20.00 C ATOM 370 CD GLU A 16 -32.061 1.581 -0.918 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.018 2.377 -0.862 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.666 1.075 -1.989 1.00 20.00 O ATOM 0 H GLU A 16 -31.372 1.569 3.038 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.869 -1.136 2.877 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.305 -0.691 0.477 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.011 0.535 1.511 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.240 2.106 0.980 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.336 0.875 0.120 1.00 20.00 H new ATOM 379 N GLN A 17 -28.973 -0.328 1.532 1.00 20.00 N ATOM 380 CA GLN A 17 -27.722 -0.864 1.011 1.00 20.00 C ATOM 381 C GLN A 17 -27.014 -1.706 2.068 1.00 20.00 C ATOM 382 O GLN A 17 -26.325 -2.672 1.748 1.00 20.00 O ATOM 383 CB GLN A 17 -26.803 0.266 0.538 1.00 20.00 C ATOM 384 CG GLN A 17 -27.378 1.091 -0.609 1.00 20.00 C ATOM 385 CD GLN A 17 -27.691 0.253 -1.837 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.044 -0.765 -2.093 1.00 20.00 O ATOM 387 NE2 GLN A 17 -28.682 0.675 -2.608 1.00 20.00 N ATOM 0 H GLN A 17 -28.982 0.686 1.640 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.959 -1.501 0.158 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.594 0.927 1.379 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.851 -0.161 0.224 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.288 1.588 -0.273 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.669 1.873 -0.879 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -29.194 1.522 -2.362 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.933 0.153 -3.447 1.00 20.00 H new ATOM 396 N GLU A 18 -27.214 -1.350 3.329 1.00 20.00 N ATOM 397 CA GLU A 18 -26.596 -2.069 4.431 1.00 20.00 C ATOM 398 C GLU A 18 -27.400 -3.319 4.751 1.00 20.00 C ATOM 399 O GLU A 18 -26.839 -4.358 5.098 1.00 20.00 O ATOM 400 CB GLU A 18 -26.472 -1.170 5.662 1.00 20.00 C ATOM 401 CG GLU A 18 -25.588 0.046 5.436 1.00 20.00 C ATOM 402 CD GLU A 18 -25.513 0.940 6.651 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.388 1.819 6.795 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.577 0.772 7.460 1.00 20.00 O ATOM 0 H GLU A 18 -27.801 -0.566 3.613 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.591 -2.369 4.135 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.466 -0.837 5.961 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.069 -1.754 6.490 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.584 -0.283 5.169 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.971 0.618 4.591 1.00 20.00 H new ATOM 411 N ASN A 19 -28.716 -3.222 4.609 1.00 20.00 N ATOM 412 CA ASN A 19 -29.581 -4.391 4.731 1.00 20.00 C ATOM 413 C ASN A 19 -29.225 -5.398 3.648 1.00 20.00 C ATOM 414 O ASN A 19 -29.263 -6.607 3.870 1.00 20.00 O ATOM 415 CB ASN A 19 -31.064 -4.007 4.618 1.00 20.00 C ATOM 416 CG ASN A 19 -31.581 -3.241 5.826 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.831 -2.543 6.502 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.872 -3.360 6.098 1.00 20.00 N ATOM 0 H ASN A 19 -29.207 -2.350 4.410 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.424 -4.832 5.716 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.208 -3.401 3.723 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.658 -4.912 4.489 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.274 -2.862 6.892 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.464 -3.950 5.513 1.00 20.00 H new ATOM 425 N SER A 20 -28.838 -4.882 2.488 1.00 20.00 N ATOM 426 CA SER A 20 -28.460 -5.716 1.357 1.00 20.00 C ATOM 427 C SER A 20 -27.122 -6.411 1.607 1.00 20.00 C ATOM 428 O SER A 20 -26.818 -7.431 0.988 1.00 20.00 O ATOM 429 CB SER A 20 -28.389 -4.870 0.084 1.00 20.00 C ATOM 430 OG SER A 20 -29.627 -4.214 -0.157 1.00 20.00 O ATOM 0 H SER A 20 -28.778 -3.880 2.306 1.00 20.00 H new ATOM 0 HA SER A 20 -29.220 -6.487 1.232 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.593 -4.131 0.177 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.137 -5.504 -0.766 1.00 20.00 H new ATOM 0 HG SER A 20 -29.735 -3.475 0.478 1.00 20.00 H new ATOM 436 N TYR A 21 -26.328 -5.871 2.528 1.00 20.00 N ATOM 437 CA TYR A 21 -25.054 -6.487 2.887 1.00 20.00 C ATOM 438 C TYR A 21 -25.288 -7.809 3.603 1.00 20.00 C ATOM 439 O TYR A 21 -24.429 -8.688 3.601 1.00 20.00 O ATOM 440 CB TYR A 21 -24.213 -5.564 3.775 1.00 20.00 C ATOM 441 CG TYR A 21 -23.659 -4.342 3.068 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.260 -4.402 1.738 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.516 -3.133 3.739 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.742 -3.294 1.098 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.000 -2.020 3.102 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.614 -2.106 1.783 1.00 20.00 C ATOM 447 OH TYR A 21 -22.094 -1.001 1.146 1.00 20.00 O ATOM 0 H TYR A 21 -26.543 -5.013 3.037 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.505 -6.666 1.962 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.823 -5.235 4.616 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.382 -6.136 4.188 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -23.357 -5.331 1.196 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.813 -3.062 4.775 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -22.438 -3.358 0.064 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.900 -1.087 3.637 1.00 20.00 H new ATOM 0 HH TYR A 21 -22.072 -0.245 1.769 1.00 20.00 H new ATOM 457 N ASN A 22 -26.469 -7.954 4.194 1.00 20.00 N ATOM 458 CA ASN A 22 -26.819 -9.173 4.914 1.00 20.00 C ATOM 459 C ASN A 22 -26.957 -10.349 3.957 1.00 20.00 C ATOM 460 O ASN A 22 -26.901 -11.500 4.377 1.00 20.00 O ATOM 461 CB ASN A 22 -28.110 -8.997 5.719 1.00 20.00 C ATOM 462 CG ASN A 22 -27.942 -8.044 6.888 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.531 -8.445 7.976 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.275 -6.781 6.674 1.00 20.00 N ATOM 0 H ASN A 22 -27.200 -7.243 4.189 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.008 -9.382 5.612 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.896 -8.625 5.062 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.438 -9.968 6.090 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.195 -6.098 7.427 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.612 -6.491 5.756 1.00 20.00 H new ATOM 471 N GLU A 23 -27.118 -10.059 2.667 1.00 20.00 N ATOM 472 CA GLU A 23 -27.163 -11.108 1.654 1.00 20.00 C ATOM 473 C GLU A 23 -25.827 -11.839 1.587 1.00 20.00 C ATOM 474 O GLU A 23 -25.770 -13.031 1.284 1.00 20.00 O ATOM 475 CB GLU A 23 -27.513 -10.535 0.280 1.00 20.00 C ATOM 476 CG GLU A 23 -28.941 -10.027 0.177 1.00 20.00 C ATOM 477 CD GLU A 23 -29.964 -11.098 0.500 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.145 -12.028 -0.318 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.594 -11.014 1.571 1.00 20.00 O ATOM 0 H GLU A 23 -27.219 -9.112 2.302 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.943 -11.814 1.939 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -26.829 -9.718 0.052 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.355 -11.304 -0.476 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.074 -9.186 0.857 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.118 -9.653 -0.831 1.00 20.00 H new ATOM 486 N TRP A 24 -24.754 -11.119 1.891 1.00 20.00 N ATOM 487 CA TRP A 24 -23.422 -11.702 1.910 1.00 20.00 C ATOM 488 C TRP A 24 -23.282 -12.651 3.101 1.00 20.00 C ATOM 489 O TRP A 24 -22.611 -13.677 3.019 1.00 20.00 O ATOM 490 CB TRP A 24 -22.362 -10.597 1.963 1.00 20.00 C ATOM 491 CG TRP A 24 -20.954 -11.105 1.889 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.392 -11.810 0.866 1.00 20.00 C ATOM 493 CD2 TRP A 24 -19.925 -10.933 2.871 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.079 -12.092 1.154 1.00 20.00 N ATOM 495 CE2 TRP A 24 -18.769 -11.565 2.378 1.00 20.00 C ATOM 496 CE3 TRP A 24 -19.870 -10.308 4.120 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.572 -11.590 3.091 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.682 -10.332 4.825 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.548 -10.970 4.309 1.00 20.00 C ATOM 0 H TRP A 24 -24.783 -10.127 2.128 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.270 -12.275 0.995 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.532 -9.904 1.139 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.486 -10.031 2.886 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.904 -12.104 -0.038 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.439 -12.610 0.553 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.741 -9.815 4.527 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -16.695 -12.081 2.696 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.627 -9.851 5.790 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.635 -10.972 4.885 1.00 20.00 H new ATOM 510 N LEU A 25 -23.948 -12.311 4.197 1.00 20.00 N ATOM 511 CA LEU A 25 -23.945 -13.151 5.391 1.00 20.00 C ATOM 512 C LEU A 25 -24.906 -14.320 5.208 1.00 20.00 C ATOM 513 O LEU A 25 -24.660 -15.423 5.693 1.00 20.00 O ATOM 514 CB LEU A 25 -24.341 -12.345 6.640 1.00 20.00 C ATOM 515 CG LEU A 25 -23.289 -11.358 7.171 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.070 -10.205 6.203 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.701 -10.830 8.535 1.00 20.00 C ATOM 0 H LEU A 25 -24.499 -11.457 4.285 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.933 -13.529 5.534 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.251 -11.788 6.415 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.586 -13.047 7.437 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.346 -11.896 7.269 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.320 -9.526 6.609 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -22.726 -10.595 5.245 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.007 -9.667 6.060 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.946 -10.132 8.898 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -24.659 -10.317 8.452 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.793 -11.661 9.234 1.00 20.00 H new ATOM 529 N ARG A 26 -25.991 -14.053 4.486 1.00 20.00 N ATOM 530 CA ARG A 26 -27.041 -15.036 4.215 1.00 20.00 C ATOM 531 C ARG A 26 -26.469 -16.349 3.694 1.00 20.00 C ATOM 532 O ARG A 26 -26.902 -17.423 4.104 1.00 20.00 O ATOM 533 CB ARG A 26 -28.028 -14.455 3.198 1.00 20.00 C ATOM 534 CG ARG A 26 -29.117 -15.421 2.753 1.00 20.00 C ATOM 535 CD ARG A 26 -30.007 -14.791 1.693 1.00 20.00 C ATOM 536 NE ARG A 26 -31.052 -15.699 1.235 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.958 -15.382 0.315 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.930 -14.188 -0.269 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.886 -16.265 -0.034 1.00 20.00 N ATOM 0 H ARG A 26 -26.170 -13.140 4.068 1.00 20.00 H new ATOM 0 HA ARG A 26 -27.553 -15.252 5.153 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.498 -13.572 3.630 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.473 -14.124 2.320 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.662 -16.329 2.358 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.721 -15.714 3.612 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.465 -13.888 2.097 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.396 -14.486 0.843 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.090 -16.632 1.645 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.212 -13.511 -0.012 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.627 -13.949 -0.974 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.904 -17.186 0.404 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.581 -16.022 -0.740 1.00 20.00 H new ATOM 553 N ALA A 27 -25.485 -16.255 2.811 1.00 20.00 N ATOM 554 CA ALA A 27 -24.890 -17.433 2.195 1.00 20.00 C ATOM 555 C ALA A 27 -24.318 -18.392 3.236 1.00 20.00 C ATOM 556 O ALA A 27 -24.421 -19.610 3.090 1.00 20.00 O ATOM 557 CB ALA A 27 -23.809 -17.020 1.211 1.00 20.00 C ATOM 0 H ALA A 27 -25.080 -15.371 2.504 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.681 -17.961 1.662 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.371 -17.909 0.757 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.245 -16.393 0.434 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.034 -16.462 1.735 1.00 20.00 H new ATOM 563 N LYS A 28 -23.704 -17.840 4.276 1.00 20.00 N ATOM 564 CA LYS A 28 -23.088 -18.659 5.311 1.00 20.00 C ATOM 565 C LYS A 28 -24.041 -18.940 6.474 1.00 20.00 C ATOM 566 O LYS A 28 -23.985 -20.008 7.082 1.00 20.00 O ATOM 567 CB LYS A 28 -21.799 -18.012 5.831 1.00 20.00 C ATOM 568 CG LYS A 28 -20.659 -18.012 4.815 1.00 20.00 C ATOM 569 CD LYS A 28 -19.311 -17.753 5.478 1.00 20.00 C ATOM 570 CE LYS A 28 -19.189 -16.334 6.023 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.103 -15.322 4.937 1.00 20.00 N ATOM 0 H LYS A 28 -23.620 -16.834 4.424 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.843 -19.614 4.847 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -22.012 -16.984 6.125 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.474 -18.539 6.728 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.632 -18.972 4.299 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.845 -17.249 4.059 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.168 -18.464 6.291 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.515 -17.930 4.755 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.049 -16.114 6.655 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.303 -16.264 6.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.903 -14.388 5.348 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.340 -15.582 4.280 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -20.006 -15.287 4.423 1.00 20.00 H new ATOM 585 N VAL A 29 -24.905 -17.984 6.797 1.00 20.00 N ATOM 586 CA VAL A 29 -25.753 -18.106 7.981 1.00 20.00 C ATOM 587 C VAL A 29 -27.043 -18.875 7.686 1.00 20.00 C ATOM 588 O VAL A 29 -27.658 -19.438 8.591 1.00 20.00 O ATOM 589 CB VAL A 29 -26.094 -16.721 8.582 1.00 20.00 C ATOM 590 CG1 VAL A 29 -27.124 -15.981 7.745 1.00 20.00 C ATOM 591 CG2 VAL A 29 -26.561 -16.859 10.022 1.00 20.00 C ATOM 0 H VAL A 29 -25.037 -17.125 6.264 1.00 20.00 H new ATOM 0 HA VAL A 29 -25.178 -18.673 8.713 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.181 -16.126 8.572 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -27.336 -15.014 8.201 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.734 -15.830 6.738 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -28.041 -16.567 7.695 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.795 -15.874 10.425 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -27.452 -17.486 10.057 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.771 -17.316 10.618 1.00 20.00 H new ATOM 601 N ALA A 30 -27.444 -18.910 6.426 1.00 20.00 N ATOM 602 CA ALA A 30 -28.679 -19.576 6.044 1.00 20.00 C ATOM 603 C ALA A 30 -28.383 -20.788 5.173 1.00 20.00 C ATOM 604 O ALA A 30 -27.315 -20.875 4.563 1.00 20.00 O ATOM 605 CB ALA A 30 -29.602 -18.604 5.323 1.00 20.00 C ATOM 0 H ALA A 30 -26.934 -18.486 5.651 1.00 20.00 H new ATOM 0 HA ALA A 30 -29.183 -19.922 6.947 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -30.523 -19.116 5.043 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -29.838 -17.769 5.983 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -29.108 -18.230 4.426 1.00 20.00 H new ATOM 611 N THR A 31 -29.319 -21.726 5.124 1.00 20.00 N ATOM 612 CA THR A 31 -29.144 -22.937 4.343 1.00 20.00 C ATOM 613 C THR A 31 -30.428 -23.766 4.352 1.00 20.00 C ATOM 614 O THR A 31 -31.263 -23.624 5.248 1.00 20.00 O ATOM 615 CB THR A 31 -27.971 -23.789 4.890 1.00 20.00 C ATOM 616 OG1 THR A 31 -27.720 -24.911 4.036 1.00 20.00 O ATOM 617 CG2 THR A 31 -28.259 -24.283 6.299 1.00 20.00 C ATOM 0 H THR A 31 -30.209 -21.669 5.619 1.00 20.00 H new ATOM 0 HA THR A 31 -28.912 -22.643 3.320 1.00 20.00 H new ATOM 0 HB THR A 31 -27.088 -23.150 4.916 1.00 20.00 H new ATOM 0 HG1 THR A 31 -26.975 -25.436 4.396 1.00 20.00 H new ATOM 0 HG21 THR A 31 -27.418 -24.878 6.655 1.00 20.00 H new ATOM 0 HG22 THR A 31 -28.406 -23.430 6.961 1.00 20.00 H new ATOM 0 HG23 THR A 31 -29.160 -24.897 6.292 1.00 20.00 H new ATOM 625 N SER A 32 -30.582 -24.624 3.351 1.00 20.00 N ATOM 626 CA SER A 32 -31.743 -25.499 3.257 1.00 20.00 C ATOM 627 C SER A 32 -31.410 -26.863 3.855 1.00 20.00 C ATOM 628 O SER A 32 -32.160 -27.833 3.705 1.00 20.00 O ATOM 629 CB SER A 32 -32.188 -25.642 1.793 1.00 20.00 C ATOM 630 OG SER A 32 -33.372 -26.414 1.686 1.00 20.00 O ATOM 0 H SER A 32 -29.913 -24.732 2.589 1.00 20.00 H new ATOM 0 HA SER A 32 -32.567 -25.061 3.820 1.00 20.00 H new ATOM 0 HB2 SER A 32 -32.356 -24.654 1.364 1.00 20.00 H new ATOM 0 HB3 SER A 32 -31.393 -26.110 1.213 1.00 20.00 H new ATOM 0 HG SER A 32 -33.290 -27.217 2.242 1.00 20.00 H new ATOM 636 N LEU A 33 -30.275 -26.922 4.538 1.00 20.00 N ATOM 637 CA LEU A 33 -29.820 -28.144 5.184 1.00 20.00 C ATOM 638 C LEU A 33 -30.038 -28.053 6.689 1.00 20.00 C ATOM 639 O LEU A 33 -29.218 -28.515 7.481 1.00 20.00 O ATOM 640 CB LEU A 33 -28.336 -28.374 4.888 1.00 20.00 C ATOM 641 CG LEU A 33 -27.953 -28.378 3.404 1.00 20.00 C ATOM 642 CD1 LEU A 33 -26.456 -28.583 3.243 1.00 20.00 C ATOM 643 CD2 LEU A 33 -28.720 -29.452 2.645 1.00 20.00 C ATOM 0 H LEU A 33 -29.647 -26.128 4.659 1.00 20.00 H new ATOM 0 HA LEU A 33 -30.395 -28.983 4.792 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -27.758 -27.599 5.392 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -28.040 -29.328 5.325 1.00 20.00 H new ATOM 0 HG LEU A 33 -28.221 -27.409 2.983 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -26.201 -28.583 2.183 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -25.922 -27.776 3.745 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -26.170 -29.537 3.685 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.429 -29.433 1.595 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -28.490 -30.430 3.067 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -29.790 -29.263 2.729 1.00 20.00 H new ATOM 655 N ALA A 34 -31.143 -27.438 7.073 1.00 20.00 N ATOM 656 CA ALA A 34 -31.474 -27.266 8.477 1.00 20.00 C ATOM 657 C ALA A 34 -32.631 -28.171 8.877 1.00 20.00 C ATOM 658 O ALA A 34 -33.660 -28.215 8.200 1.00 20.00 O ATOM 659 CB ALA A 34 -31.818 -25.813 8.757 1.00 20.00 C ATOM 0 H ALA A 34 -31.830 -27.047 6.428 1.00 20.00 H new ATOM 0 HA ALA A 34 -30.605 -27.545 9.072 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -32.065 -25.694 9.812 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -30.963 -25.183 8.511 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -32.673 -25.518 8.149 1.00 20.00 H new ATOM 665 N ASP A 35 -32.459 -28.891 9.975 1.00 20.00 N ATOM 666 CA ASP A 35 -33.495 -29.784 10.476 1.00 20.00 C ATOM 667 C ASP A 35 -34.534 -29.002 11.266 1.00 20.00 C ATOM 668 O ASP A 35 -34.190 -28.102 12.037 1.00 20.00 O ATOM 669 CB ASP A 35 -32.893 -30.879 11.362 1.00 20.00 C ATOM 670 CG ASP A 35 -32.250 -31.994 10.565 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.055 -31.878 10.219 1.00 20.00 O ATOM 672 OD2 ASP A 35 -32.934 -33.004 10.297 1.00 20.00 O ATOM 0 H ASP A 35 -31.609 -28.875 10.539 1.00 20.00 H new ATOM 0 HA ASP A 35 -33.975 -30.254 9.617 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -32.148 -30.436 12.023 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -33.675 -31.297 11.996 1.00 20.00 H new ATOM 677 N PRO A 36 -35.822 -29.321 11.064 1.00 20.00 N ATOM 678 CA PRO A 36 -36.922 -28.690 11.799 1.00 20.00 C ATOM 679 C PRO A 36 -36.806 -28.911 13.301 1.00 20.00 C ATOM 680 O PRO A 36 -36.512 -30.019 13.759 1.00 20.00 O ATOM 681 CB PRO A 36 -38.179 -29.379 11.251 1.00 20.00 C ATOM 682 CG PRO A 36 -37.764 -29.963 9.946 1.00 20.00 C ATOM 683 CD PRO A 36 -36.312 -30.319 10.097 1.00 20.00 C ATOM 0 HA PRO A 36 -36.930 -27.608 11.664 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -38.534 -30.151 11.933 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -38.994 -28.667 11.123 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -38.359 -30.844 9.705 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -37.909 -29.249 9.135 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -36.183 -31.336 10.467 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -35.780 -30.255 9.148 1.00 20.00 H new ATOM 691 N ARG A 37 -37.029 -27.851 14.063 1.00 20.00 N ATOM 692 CA ARG A 37 -36.930 -27.916 15.513 1.00 20.00 C ATOM 693 C ARG A 37 -38.208 -28.502 16.098 1.00 20.00 C ATOM 694 O ARG A 37 -39.293 -28.285 15.562 1.00 20.00 O ATOM 695 CB ARG A 37 -36.677 -26.521 16.109 1.00 20.00 C ATOM 696 CG ARG A 37 -35.295 -25.950 15.815 1.00 20.00 C ATOM 697 CD ARG A 37 -35.153 -25.507 14.367 1.00 20.00 C ATOM 698 NE ARG A 37 -33.814 -24.999 14.070 1.00 20.00 N ATOM 699 CZ ARG A 37 -33.571 -23.989 13.235 1.00 20.00 C ATOM 700 NH1 ARG A 37 -34.576 -23.357 12.642 1.00 20.00 N ATOM 701 NH2 ARG A 37 -32.322 -23.610 12.997 1.00 20.00 N ATOM 0 H ARG A 37 -37.281 -26.932 13.699 1.00 20.00 H new ATOM 0 HA ARG A 37 -36.088 -28.559 15.768 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -37.430 -25.833 15.724 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -36.813 -26.571 17.189 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -35.107 -25.102 16.473 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -34.538 -26.701 16.039 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -35.374 -26.347 13.709 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -35.889 -24.732 14.153 1.00 20.00 H new ATOM 0 HE ARG A 37 -33.019 -25.444 14.529 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -35.538 -23.644 12.825 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -34.387 -22.584 12.003 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -31.547 -24.092 13.453 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -32.137 -22.837 12.358 1.00 20.00 H new ATOM 715 N PRO A 38 -38.098 -29.279 17.184 1.00 20.00 N ATOM 716 CA PRO A 38 -39.264 -29.830 17.878 1.00 20.00 C ATOM 717 C PRO A 38 -40.191 -28.726 18.382 1.00 20.00 C ATOM 718 O PRO A 38 -39.726 -27.655 18.783 1.00 20.00 O ATOM 719 CB PRO A 38 -38.664 -30.603 19.058 1.00 20.00 C ATOM 720 CG PRO A 38 -37.250 -30.864 18.670 1.00 20.00 C ATOM 721 CD PRO A 38 -36.834 -29.703 17.812 1.00 20.00 C ATOM 0 HA PRO A 38 -39.872 -30.453 17.222 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -38.720 -30.023 19.979 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -39.203 -31.534 19.235 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -36.613 -30.946 19.551 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -37.162 -31.803 18.124 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -36.390 -28.903 18.405 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -36.093 -29.997 17.068 1.00 20.00 H new ATOM 729 N ALA A 39 -41.494 -28.998 18.341 1.00 20.00 N ATOM 730 CA ALA A 39 -42.514 -28.051 18.787 1.00 20.00 C ATOM 731 C ALA A 39 -42.498 -26.771 17.957 1.00 20.00 C ATOM 732 O ALA A 39 -42.276 -25.674 18.477 1.00 20.00 O ATOM 733 CB ALA A 39 -42.350 -27.739 20.268 1.00 20.00 C ATOM 0 H ALA A 39 -41.872 -29.881 17.998 1.00 20.00 H new ATOM 0 HA ALA A 39 -43.486 -28.522 18.640 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -43.120 -27.032 20.578 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -42.447 -28.658 20.846 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -41.366 -27.303 20.441 1.00 20.00 H new ATOM 739 N ILE A 40 -42.727 -26.919 16.662 1.00 20.00 N ATOM 740 CA ILE A 40 -42.851 -25.773 15.770 1.00 20.00 C ATOM 741 C ILE A 40 -44.306 -25.340 15.671 1.00 20.00 C ATOM 742 O ILE A 40 -45.205 -26.176 15.576 1.00 20.00 O ATOM 743 CB ILE A 40 -42.307 -26.065 14.354 1.00 20.00 C ATOM 744 CG1 ILE A 40 -42.727 -27.458 13.879 1.00 20.00 C ATOM 745 CG2 ILE A 40 -40.797 -25.912 14.324 1.00 20.00 C ATOM 746 CD1 ILE A 40 -42.262 -27.788 12.479 1.00 20.00 C ATOM 0 H ILE A 40 -42.831 -27.824 16.202 1.00 20.00 H new ATOM 0 HA ILE A 40 -42.249 -24.972 16.199 1.00 20.00 H new ATOM 0 HB ILE A 40 -42.739 -25.338 13.666 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -42.330 -28.203 14.569 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -43.814 -27.534 13.919 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -40.430 -26.121 13.319 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -40.529 -24.893 14.603 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -40.346 -26.612 15.028 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -42.597 -28.790 12.211 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -42.680 -27.066 11.777 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -41.174 -27.746 12.438 1.00 20.00 H new ATOM 758 N PRO A 41 -44.556 -24.024 15.721 1.00 20.00 N ATOM 759 CA PRO A 41 -45.911 -23.472 15.630 1.00 20.00 C ATOM 760 C PRO A 41 -46.562 -23.778 14.281 1.00 20.00 C ATOM 761 O PRO A 41 -45.889 -23.856 13.251 1.00 20.00 O ATOM 762 CB PRO A 41 -45.706 -21.961 15.796 1.00 20.00 C ATOM 763 CG PRO A 41 -44.265 -21.716 15.505 1.00 20.00 C ATOM 764 CD PRO A 41 -43.535 -22.976 15.875 1.00 20.00 C ATOM 0 HA PRO A 41 -46.576 -23.902 16.379 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -46.344 -21.402 15.112 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -45.962 -21.640 16.806 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -44.117 -21.477 14.452 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -43.892 -20.868 16.080 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -42.680 -23.150 15.222 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -43.154 -22.934 16.895 1.00 20.00 H new ATOM 772 N HIS A 42 -47.890 -23.926 14.308 1.00 20.00 N ATOM 773 CA HIS A 42 -48.665 -24.359 13.145 1.00 20.00 C ATOM 774 C HIS A 42 -48.493 -23.418 11.965 1.00 20.00 C ATOM 775 O HIS A 42 -48.575 -23.844 10.813 1.00 20.00 O ATOM 776 CB HIS A 42 -50.156 -24.470 13.491 1.00 20.00 C ATOM 777 CG HIS A 42 -50.498 -25.634 14.370 1.00 20.00 C ATOM 778 ND1 HIS A 42 -51.223 -26.720 13.928 1.00 20.00 N ATOM 779 CD2 HIS A 42 -50.222 -25.875 15.674 1.00 20.00 C ATOM 780 CE1 HIS A 42 -51.380 -27.574 14.920 1.00 20.00 C ATOM 781 NE2 HIS A 42 -50.781 -27.086 15.987 1.00 20.00 N ATOM 0 H HIS A 42 -48.456 -23.749 15.137 1.00 20.00 H new ATOM 0 HA HIS A 42 -48.283 -25.340 12.862 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -50.472 -23.551 13.985 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -50.727 -24.548 12.566 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -49.666 -25.233 16.341 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -51.910 -28.514 14.867 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -50.740 -27.538 16.901 1.00 20.00 H new ATOM 790 N ASP A 43 -48.249 -22.144 12.253 1.00 20.00 N ATOM 791 CA ASP A 43 -48.089 -21.140 11.209 1.00 20.00 C ATOM 792 C ASP A 43 -46.706 -21.238 10.581 1.00 20.00 C ATOM 793 O ASP A 43 -46.527 -20.945 9.396 1.00 20.00 O ATOM 794 CB ASP A 43 -48.330 -19.732 11.765 1.00 20.00 C ATOM 795 CG ASP A 43 -47.352 -19.344 12.857 1.00 20.00 C ATOM 796 OD1 ASP A 43 -47.443 -19.900 13.974 1.00 20.00 O ATOM 797 OD2 ASP A 43 -46.498 -18.468 12.609 1.00 20.00 O ATOM 0 H ASP A 43 -48.158 -21.782 13.202 1.00 20.00 H new ATOM 0 HA ASP A 43 -48.833 -21.332 10.436 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -48.260 -19.010 10.951 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.345 -19.673 12.158 1.00 20.00 H new ATOM 802 N GLU A 44 -45.729 -21.671 11.369 1.00 20.00 N ATOM 803 CA GLU A 44 -44.387 -21.880 10.852 1.00 20.00 C ATOM 804 C GLU A 44 -44.354 -23.135 9.996 1.00 20.00 C ATOM 805 O GLU A 44 -43.660 -23.188 8.984 1.00 20.00 O ATOM 806 CB GLU A 44 -43.358 -21.976 11.985 1.00 20.00 C ATOM 807 CG GLU A 44 -41.951 -22.281 11.495 1.00 20.00 C ATOM 808 CD GLU A 44 -40.883 -21.953 12.515 1.00 20.00 C ATOM 809 OE1 GLU A 44 -40.479 -20.774 12.591 1.00 20.00 O ATOM 810 OE2 GLU A 44 -40.437 -22.864 13.236 1.00 20.00 O ATOM 0 H GLU A 44 -45.842 -21.882 12.361 1.00 20.00 H new ATOM 0 HA GLU A 44 -44.120 -21.020 10.238 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -43.347 -21.036 12.537 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -43.668 -22.753 12.684 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.884 -23.337 11.235 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -41.760 -21.716 10.583 1.00 20.00 H new ATOM 817 N VAL A 45 -45.130 -24.134 10.395 1.00 20.00 N ATOM 818 CA VAL A 45 -45.239 -25.368 9.630 1.00 20.00 C ATOM 819 C VAL A 45 -45.714 -25.076 8.212 1.00 20.00 C ATOM 820 O VAL A 45 -45.216 -25.656 7.252 1.00 20.00 O ATOM 821 CB VAL A 45 -46.204 -26.369 10.296 1.00 20.00 C ATOM 822 CG1 VAL A 45 -46.320 -27.641 9.471 1.00 20.00 C ATOM 823 CG2 VAL A 45 -45.750 -26.693 11.707 1.00 20.00 C ATOM 0 H VAL A 45 -45.694 -24.113 11.245 1.00 20.00 H new ATOM 0 HA VAL A 45 -44.246 -25.817 9.599 1.00 20.00 H new ATOM 0 HB VAL A 45 -47.189 -25.904 10.348 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -47.006 -28.331 9.961 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -46.698 -27.397 8.478 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -45.339 -28.107 9.381 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -46.445 -27.401 12.159 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -44.753 -27.132 11.677 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -45.726 -25.779 12.300 1.00 20.00 H new ATOM 833 N GLU A 46 -46.663 -24.154 8.091 1.00 20.00 N ATOM 834 CA GLU A 46 -47.206 -23.773 6.788 1.00 20.00 C ATOM 835 C GLU A 46 -46.116 -23.213 5.879 1.00 20.00 C ATOM 836 O GLU A 46 -45.909 -23.705 4.769 1.00 20.00 O ATOM 837 CB GLU A 46 -48.334 -22.745 6.944 1.00 20.00 C ATOM 838 CG GLU A 46 -49.431 -23.197 7.890 1.00 20.00 C ATOM 839 CD GLU A 46 -50.606 -22.246 7.931 1.00 20.00 C ATOM 840 OE1 GLU A 46 -50.523 -21.213 8.628 1.00 20.00 O ATOM 841 OE2 GLU A 46 -51.628 -22.532 7.271 1.00 20.00 O ATOM 0 H GLU A 46 -47.074 -23.655 8.880 1.00 20.00 H new ATOM 0 HA GLU A 46 -47.612 -24.673 6.328 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -47.914 -21.807 7.307 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -48.769 -22.541 5.965 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -49.780 -24.184 7.587 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -49.018 -23.299 8.894 1.00 20.00 H new ATOM 848 N ARG A 47 -45.400 -22.201 6.359 1.00 20.00 N ATOM 849 CA ARG A 47 -44.366 -21.558 5.555 1.00 20.00 C ATOM 850 C ARG A 47 -43.191 -22.505 5.322 1.00 20.00 C ATOM 851 O ARG A 47 -42.525 -22.445 4.288 1.00 20.00 O ATOM 852 CB ARG A 47 -43.885 -20.256 6.213 1.00 20.00 C ATOM 853 CG ARG A 47 -43.183 -20.447 7.549 1.00 20.00 C ATOM 854 CD ARG A 47 -42.727 -19.119 8.137 1.00 20.00 C ATOM 855 NE ARG A 47 -42.001 -19.288 9.397 1.00 20.00 N ATOM 856 CZ ARG A 47 -41.414 -18.286 10.055 1.00 20.00 C ATOM 857 NH1 ARG A 47 -41.481 -17.050 9.578 1.00 20.00 N ATOM 858 NH2 ARG A 47 -40.767 -18.516 11.192 1.00 20.00 N ATOM 0 H ARG A 47 -45.515 -21.810 7.294 1.00 20.00 H new ATOM 0 HA ARG A 47 -44.803 -21.309 4.588 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -43.205 -19.748 5.529 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -44.742 -19.599 6.358 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -43.857 -20.942 8.247 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -42.322 -21.102 7.418 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -42.088 -18.607 7.418 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -43.595 -18.481 8.303 1.00 20.00 H new ATOM 0 HE ARG A 47 -41.940 -20.225 9.795 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.981 -16.865 8.708 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -41.032 -16.284 10.081 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -40.716 -19.463 11.567 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -40.321 -17.746 11.690 1.00 20.00 H new ATOM 872 N ARG A 48 -42.958 -23.393 6.279 1.00 20.00 N ATOM 873 CA ARG A 48 -41.845 -24.324 6.201 1.00 20.00 C ATOM 874 C ARG A 48 -42.185 -25.490 5.276 1.00 20.00 C ATOM 875 O ARG A 48 -41.298 -26.094 4.673 1.00 20.00 O ATOM 876 CB ARG A 48 -41.498 -24.843 7.598 1.00 20.00 C ATOM 877 CG ARG A 48 -40.094 -25.411 7.719 1.00 20.00 C ATOM 878 CD ARG A 48 -39.043 -24.356 7.405 1.00 20.00 C ATOM 879 NE ARG A 48 -37.692 -24.823 7.690 1.00 20.00 N ATOM 880 CZ ARG A 48 -36.593 -24.280 7.171 1.00 20.00 C ATOM 881 NH1 ARG A 48 -36.686 -23.267 6.318 1.00 20.00 N ATOM 882 NH2 ARG A 48 -35.398 -24.743 7.510 1.00 20.00 N ATOM 0 H ARG A 48 -43.528 -23.487 7.120 1.00 20.00 H new ATOM 0 HA ARG A 48 -40.981 -23.800 5.792 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -41.612 -24.030 8.315 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -42.216 -25.615 7.875 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -39.939 -25.793 8.728 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -39.981 -26.255 7.038 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -39.115 -24.076 6.354 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -39.246 -23.458 7.989 1.00 20.00 H new ATOM 0 HE ARG A 48 -37.582 -25.613 8.325 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -37.602 -22.902 6.058 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -35.841 -22.854 5.923 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -35.319 -25.517 8.170 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -34.557 -24.325 7.111 1.00 20.00 H new ATOM 896 N MET A 49 -43.474 -25.793 5.164 1.00 20.00 N ATOM 897 CA MET A 49 -43.944 -26.896 4.332 1.00 20.00 C ATOM 898 C MET A 49 -43.628 -26.631 2.866 1.00 20.00 C ATOM 899 O MET A 49 -43.272 -27.543 2.123 1.00 20.00 O ATOM 900 CB MET A 49 -45.450 -27.098 4.519 1.00 20.00 C ATOM 901 CG MET A 49 -45.993 -28.346 3.838 1.00 20.00 C ATOM 902 SD MET A 49 -47.778 -28.528 4.038 1.00 20.00 S ATOM 903 CE MET A 49 -47.918 -28.585 5.824 1.00 20.00 C ATOM 0 H MET A 49 -44.218 -25.286 5.643 1.00 20.00 H new ATOM 0 HA MET A 49 -43.427 -27.805 4.640 1.00 20.00 H new ATOM 0 HB2 MET A 49 -45.670 -27.153 5.585 1.00 20.00 H new ATOM 0 HB3 MET A 49 -45.975 -26.226 4.130 1.00 20.00 H new ATOM 0 HG2 MET A 49 -45.752 -28.309 2.776 1.00 20.00 H new ATOM 0 HG3 MET A 49 -45.494 -29.224 4.247 1.00 20.00 H new ATOM 0 HE1 MET A 49 -48.862 -29.056 6.100 1.00 20.00 H new ATOM 0 HE2 MET A 49 -47.090 -29.163 6.236 1.00 20.00 H new ATOM 0 HE3 MET A 49 -47.887 -27.571 6.224 1.00 20.00 H new ATOM 913 N ALA A 50 -43.740 -25.371 2.465 1.00 20.00 N ATOM 914 CA ALA A 50 -43.398 -24.968 1.108 1.00 20.00 C ATOM 915 C ALA A 50 -41.924 -25.230 0.833 1.00 20.00 C ATOM 916 O ALA A 50 -41.539 -25.625 -0.267 1.00 20.00 O ATOM 917 CB ALA A 50 -43.722 -23.500 0.899 1.00 20.00 C ATOM 0 H ALA A 50 -44.065 -24.610 3.061 1.00 20.00 H new ATOM 0 HA ALA A 50 -43.990 -25.559 0.409 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -43.462 -23.211 -0.119 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -44.787 -23.336 1.062 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -43.150 -22.897 1.604 1.00 20.00 H new ATOM 923 N GLU A 51 -41.112 -25.034 1.860 1.00 20.00 N ATOM 924 CA GLU A 51 -39.677 -25.250 1.757 1.00 20.00 C ATOM 925 C GLU A 51 -39.355 -26.736 1.854 1.00 20.00 C ATOM 926 O GLU A 51 -38.293 -27.184 1.430 1.00 20.00 O ATOM 927 CB GLU A 51 -38.951 -24.479 2.856 1.00 20.00 C ATOM 928 CG GLU A 51 -39.220 -22.984 2.825 1.00 20.00 C ATOM 929 CD GLU A 51 -38.465 -22.238 3.898 1.00 20.00 C ATOM 930 OE1 GLU A 51 -38.885 -22.294 5.070 1.00 20.00 O ATOM 931 OE2 GLU A 51 -37.446 -21.595 3.576 1.00 20.00 O ATOM 0 H GLU A 51 -41.425 -24.724 2.780 1.00 20.00 H new ATOM 0 HA GLU A 51 -39.337 -24.885 0.788 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -39.252 -24.874 3.826 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -37.879 -24.649 2.761 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -38.942 -22.588 1.848 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -40.289 -22.808 2.948 1.00 20.00 H new ATOM 938 N ARG A 52 -40.276 -27.495 2.431 1.00 20.00 N ATOM 939 CA ARG A 52 -40.143 -28.943 2.484 1.00 20.00 C ATOM 940 C ARG A 52 -40.460 -29.538 1.119 1.00 20.00 C ATOM 941 O ARG A 52 -39.878 -30.540 0.716 1.00 20.00 O ATOM 942 CB ARG A 52 -41.064 -29.547 3.549 1.00 20.00 C ATOM 943 CG ARG A 52 -40.354 -30.006 4.822 1.00 20.00 C ATOM 944 CD ARG A 52 -39.987 -28.852 5.752 1.00 20.00 C ATOM 945 NE ARG A 52 -39.041 -27.910 5.152 1.00 20.00 N ATOM 946 CZ ARG A 52 -37.718 -27.967 5.320 1.00 20.00 C ATOM 947 NH1 ARG A 52 -37.173 -28.960 6.012 1.00 20.00 N ATOM 948 NH2 ARG A 52 -36.936 -27.038 4.780 1.00 20.00 N ATOM 0 H ARG A 52 -41.123 -27.132 2.869 1.00 20.00 H new ATOM 0 HA ARG A 52 -39.115 -29.183 2.756 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -41.820 -28.809 3.817 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -41.589 -30.398 3.115 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -40.996 -30.706 5.357 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -39.448 -30.548 4.550 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -40.894 -28.317 6.033 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.557 -29.255 6.669 1.00 20.00 H new ATOM 0 HE ARG A 52 -39.417 -27.162 4.568 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -37.766 -29.684 6.418 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -36.162 -28.999 6.138 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -37.346 -26.279 4.236 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -35.925 -27.084 4.910 1.00 20.00 H new ATOM 962 N PHE A 53 -41.378 -28.898 0.408 1.00 20.00 N ATOM 963 CA PHE A 53 -41.726 -29.317 -0.942 1.00 20.00 C ATOM 964 C PHE A 53 -40.588 -28.978 -1.901 1.00 20.00 C ATOM 965 O PHE A 53 -40.406 -29.628 -2.932 1.00 20.00 O ATOM 966 CB PHE A 53 -43.025 -28.644 -1.391 1.00 20.00 C ATOM 967 CG PHE A 53 -43.532 -29.132 -2.720 1.00 20.00 C ATOM 968 CD1 PHE A 53 -43.950 -30.445 -2.876 1.00 20.00 C ATOM 969 CD2 PHE A 53 -43.589 -28.281 -3.813 1.00 20.00 C ATOM 970 CE1 PHE A 53 -44.414 -30.899 -4.095 1.00 20.00 C ATOM 971 CE2 PHE A 53 -44.053 -28.731 -5.034 1.00 20.00 C ATOM 972 CZ PHE A 53 -44.467 -30.042 -5.175 1.00 20.00 C ATOM 0 H PHE A 53 -41.895 -28.086 0.744 1.00 20.00 H new ATOM 0 HA PHE A 53 -41.880 -30.396 -0.948 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -43.792 -28.814 -0.635 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -42.865 -27.567 -1.446 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -43.912 -31.121 -2.034 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -43.267 -27.255 -3.709 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -44.735 -31.924 -4.203 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -44.092 -28.058 -5.878 1.00 20.00 H new ATOM 0 HZ PHE A 53 -44.831 -30.395 -6.129 1.00 20.00 H new ATOM 982 N ALA A 54 -39.815 -27.958 -1.541 1.00 20.00 N ATOM 983 CA ALA A 54 -38.641 -27.566 -2.312 1.00 20.00 C ATOM 984 C ALA A 54 -37.557 -28.637 -2.230 1.00 20.00 C ATOM 985 O ALA A 54 -36.708 -28.751 -3.115 1.00 20.00 O ATOM 986 CB ALA A 54 -38.107 -26.232 -1.817 1.00 20.00 C ATOM 0 H ALA A 54 -39.983 -27.385 -0.714 1.00 20.00 H new ATOM 0 HA ALA A 54 -38.936 -27.459 -3.356 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -37.231 -25.951 -2.401 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -38.877 -25.468 -1.928 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -37.830 -26.318 -0.766 1.00 20.00 H new ATOM 992 N LYS A 55 -37.601 -29.426 -1.161 1.00 20.00 N ATOM 993 CA LYS A 55 -36.672 -30.535 -0.983 1.00 20.00 C ATOM 994 C LYS A 55 -36.869 -31.570 -2.082 1.00 20.00 C ATOM 995 O LYS A 55 -35.918 -32.216 -2.518 1.00 20.00 O ATOM 996 CB LYS A 55 -36.870 -31.189 0.387 1.00 20.00 C ATOM 997 CG LYS A 55 -36.593 -30.263 1.564 1.00 20.00 C ATOM 998 CD LYS A 55 -37.030 -30.883 2.883 1.00 20.00 C ATOM 999 CE LYS A 55 -36.343 -32.216 3.153 1.00 20.00 C ATOM 1000 NZ LYS A 55 -34.874 -32.067 3.328 1.00 20.00 N ATOM 0 H LYS A 55 -38.274 -29.316 -0.402 1.00 20.00 H new ATOM 0 HA LYS A 55 -35.657 -30.143 -1.041 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -37.895 -31.554 0.459 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -36.216 -32.058 0.461 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -35.528 -30.035 1.604 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -37.116 -29.318 1.415 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -36.810 -30.192 3.697 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -38.110 -31.029 2.873 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -36.770 -32.668 4.049 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -36.541 -32.899 2.327 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -34.459 -32.988 3.576 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -34.452 -31.724 2.441 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -34.683 -31.384 4.089 1.00 20.00 H new ATOM 1014 N MET A 56 -38.109 -31.698 -2.539 1.00 20.00 N ATOM 1015 CA MET A 56 -38.455 -32.638 -3.602 1.00 20.00 C ATOM 1016 C MET A 56 -37.758 -32.257 -4.906 1.00 20.00 C ATOM 1017 O MET A 56 -37.444 -33.117 -5.730 1.00 20.00 O ATOM 1018 CB MET A 56 -39.976 -32.661 -3.801 1.00 20.00 C ATOM 1019 CG MET A 56 -40.444 -33.525 -4.964 1.00 20.00 C ATOM 1020 SD MET A 56 -42.221 -33.390 -5.248 1.00 20.00 S ATOM 1021 CE MET A 56 -42.426 -34.468 -6.665 1.00 20.00 C ATOM 0 H MET A 56 -38.899 -31.158 -2.187 1.00 20.00 H new ATOM 0 HA MET A 56 -38.117 -33.633 -3.312 1.00 20.00 H new ATOM 0 HB2 MET A 56 -40.445 -33.021 -2.885 1.00 20.00 H new ATOM 0 HB3 MET A 56 -40.325 -31.641 -3.958 1.00 20.00 H new ATOM 0 HG2 MET A 56 -39.911 -33.232 -5.868 1.00 20.00 H new ATOM 0 HG3 MET A 56 -40.188 -34.566 -4.766 1.00 20.00 H new ATOM 0 HE1 MET A 56 -43.476 -34.488 -6.958 1.00 20.00 H new ATOM 0 HE2 MET A 56 -41.824 -34.097 -7.495 1.00 20.00 H new ATOM 0 HE3 MET A 56 -42.103 -35.476 -6.405 1.00 20.00 H new ATOM 1031 N ARG A 57 -37.504 -30.965 -5.076 1.00 20.00 N ATOM 1032 CA ARG A 57 -36.847 -30.463 -6.275 1.00 20.00 C ATOM 1033 C ARG A 57 -35.355 -30.798 -6.245 1.00 20.00 C ATOM 1034 O ARG A 57 -34.691 -30.825 -7.282 1.00 20.00 O ATOM 1035 CB ARG A 57 -37.059 -28.949 -6.388 1.00 20.00 C ATOM 1036 CG ARG A 57 -36.509 -28.339 -7.666 1.00 20.00 C ATOM 1037 CD ARG A 57 -36.829 -26.856 -7.756 1.00 20.00 C ATOM 1038 NE ARG A 57 -38.267 -26.612 -7.870 1.00 20.00 N ATOM 1039 CZ ARG A 57 -38.828 -25.406 -7.790 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -38.088 -24.341 -7.511 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -40.133 -25.271 -7.972 1.00 20.00 N ATOM 0 H ARG A 57 -37.744 -30.244 -4.396 1.00 20.00 H new ATOM 0 HA ARG A 57 -37.286 -30.945 -7.149 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -38.126 -28.737 -6.327 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -36.588 -28.462 -5.534 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -35.429 -28.483 -7.704 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -36.930 -28.856 -8.528 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -36.444 -26.348 -6.872 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -36.319 -26.427 -8.618 1.00 20.00 H new ATOM 0 HE ARG A 57 -38.878 -27.415 -8.020 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -37.085 -24.443 -7.357 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -38.522 -23.420 -7.451 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -40.707 -26.090 -8.173 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -40.564 -24.348 -7.911 1.00 20.00 H new ATOM 1055 N LYS A 58 -34.847 -31.053 -5.034 1.00 20.00 N ATOM 1056 CA LYS A 58 -33.454 -31.467 -4.812 1.00 20.00 C ATOM 1057 C LYS A 58 -32.462 -30.349 -5.124 1.00 20.00 C ATOM 1058 O LYS A 58 -31.248 -30.561 -5.112 1.00 20.00 O ATOM 1059 CB LYS A 58 -33.114 -32.717 -5.629 1.00 20.00 C ATOM 1060 CG LYS A 58 -33.914 -33.947 -5.224 1.00 20.00 C ATOM 1061 CD LYS A 58 -33.555 -35.149 -6.080 1.00 20.00 C ATOM 1062 CE LYS A 58 -34.369 -36.373 -5.691 1.00 20.00 C ATOM 1063 NZ LYS A 58 -34.066 -37.537 -6.564 1.00 20.00 N ATOM 0 H LYS A 58 -35.392 -30.978 -4.175 1.00 20.00 H new ATOM 0 HA LYS A 58 -33.363 -31.703 -3.752 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -33.291 -32.510 -6.684 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -32.051 -32.933 -5.521 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -33.725 -34.176 -4.175 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -34.979 -33.737 -5.318 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -33.729 -34.914 -7.130 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -32.493 -35.368 -5.974 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -34.161 -36.633 -4.653 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -35.432 -36.138 -5.754 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -34.640 -38.352 -6.268 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -34.288 -37.298 -7.551 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -33.057 -37.777 -6.485 1.00 20.00 H new ATOM 1077 N GLU A 59 -32.978 -29.160 -5.379 1.00 20.00 N ATOM 1078 CA GLU A 59 -32.140 -28.004 -5.645 1.00 20.00 C ATOM 1079 C GLU A 59 -31.921 -27.227 -4.351 1.00 20.00 C ATOM 1080 O GLU A 59 -32.699 -26.336 -4.011 1.00 20.00 O ATOM 1081 CB GLU A 59 -32.792 -27.108 -6.704 1.00 20.00 C ATOM 1082 CG GLU A 59 -33.028 -27.805 -8.037 1.00 20.00 C ATOM 1083 CD GLU A 59 -31.749 -28.092 -8.793 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -31.045 -29.062 -8.446 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -31.451 -27.354 -9.758 1.00 20.00 O ATOM 0 H GLU A 59 -33.980 -28.969 -5.408 1.00 20.00 H new ATOM 0 HA GLU A 59 -31.176 -28.339 -6.028 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -33.745 -26.744 -6.321 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -32.160 -26.235 -6.868 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -33.557 -28.742 -7.861 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -33.676 -27.184 -8.655 1.00 20.00 H new ATOM 1092 N ARG A 60 -30.875 -27.592 -3.617 1.00 20.00 N ATOM 1093 CA ARG A 60 -30.595 -26.978 -2.324 1.00 20.00 C ATOM 1094 C ARG A 60 -29.893 -25.642 -2.527 1.00 20.00 C ATOM 1095 O ARG A 60 -30.383 -24.595 -2.108 1.00 20.00 O ATOM 1096 CB ARG A 60 -29.701 -27.879 -1.455 1.00 20.00 C ATOM 1097 CG ARG A 60 -29.848 -29.375 -1.707 1.00 20.00 C ATOM 1098 CD ARG A 60 -31.208 -29.923 -1.305 1.00 20.00 C ATOM 1099 NE ARG A 60 -31.287 -31.358 -1.575 1.00 20.00 N ATOM 1100 CZ ARG A 60 -32.366 -32.110 -1.385 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -33.468 -31.586 -0.871 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -32.337 -33.400 -1.694 1.00 20.00 N ATOM 0 H ARG A 60 -30.207 -28.310 -3.896 1.00 20.00 H new ATOM 0 HA ARG A 60 -31.548 -26.833 -1.814 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -28.661 -27.599 -1.620 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -29.922 -27.680 -0.406 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -29.682 -29.576 -2.765 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -29.073 -29.907 -1.156 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -31.382 -29.737 -0.245 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -31.992 -29.401 -1.853 1.00 20.00 H new ATOM 0 HE ARG A 60 -30.451 -31.816 -1.937 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -33.493 -30.598 -0.618 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -34.292 -32.170 -0.728 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -31.487 -33.814 -2.077 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -33.165 -33.978 -1.548 1.00 20.00 H new ATOM 1116 N SER A 61 -28.736 -25.698 -3.176 1.00 20.00 N ATOM 1117 CA SER A 61 -27.927 -24.512 -3.423 1.00 20.00 C ATOM 1118 C SER A 61 -27.115 -24.705 -4.703 1.00 20.00 C ATOM 1119 O SER A 61 -26.041 -24.129 -4.877 1.00 20.00 O ATOM 1120 CB SER A 61 -27.003 -24.247 -2.222 1.00 20.00 C ATOM 1121 OG SER A 61 -26.340 -22.997 -2.334 1.00 20.00 O ATOM 0 H SER A 61 -28.335 -26.561 -3.543 1.00 20.00 H new ATOM 0 HA SER A 61 -28.577 -23.646 -3.550 1.00 20.00 H new ATOM 0 HB2 SER A 61 -27.587 -24.268 -1.302 1.00 20.00 H new ATOM 0 HB3 SER A 61 -26.264 -25.045 -2.148 1.00 20.00 H new ATOM 0 HG SER A 61 -26.022 -22.877 -3.253 1.00 20.00 H new ATOM 1127 N LYS A 62 -27.644 -25.525 -5.599 1.00 20.00 N ATOM 1128 CA LYS A 62 -26.970 -25.834 -6.848 1.00 20.00 C ATOM 1129 C LYS A 62 -27.668 -25.112 -7.995 1.00 20.00 C ATOM 1130 O LYS A 62 -28.894 -25.159 -8.115 1.00 20.00 O ATOM 1131 CB LYS A 62 -26.968 -27.362 -7.059 1.00 20.00 C ATOM 1132 CG LYS A 62 -26.162 -27.874 -8.257 1.00 20.00 C ATOM 1133 CD LYS A 62 -26.853 -27.615 -9.591 1.00 20.00 C ATOM 1134 CE LYS A 62 -28.230 -28.260 -9.656 1.00 20.00 C ATOM 1135 NZ LYS A 62 -28.958 -27.885 -10.893 1.00 20.00 N ATOM 0 H LYS A 62 -28.544 -25.990 -5.481 1.00 20.00 H new ATOM 0 HA LYS A 62 -25.936 -25.492 -6.815 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -26.578 -27.833 -6.156 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -28.000 -27.694 -7.172 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -25.183 -27.395 -8.261 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -25.992 -28.945 -8.143 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -26.949 -26.540 -9.747 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -26.234 -28.001 -10.401 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -28.126 -29.344 -9.610 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -28.813 -27.959 -8.786 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -29.963 -27.735 -10.672 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -28.554 -27.009 -11.281 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -28.868 -28.648 -11.594 1.00 20.00 H new ATOM 1149 N GLN A 63 -26.892 -24.435 -8.829 1.00 20.00 N ATOM 1150 CA GLN A 63 -27.446 -23.715 -9.965 1.00 20.00 C ATOM 1151 C GLN A 63 -27.248 -24.517 -11.244 1.00 20.00 C ATOM 1152 O GLN A 63 -26.219 -24.321 -11.922 1.00 20.00 O ATOM 1153 CB GLN A 63 -26.798 -22.334 -10.096 1.00 20.00 C ATOM 1154 CG GLN A 63 -27.000 -21.445 -8.877 1.00 20.00 C ATOM 1155 CD GLN A 63 -28.465 -21.212 -8.544 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -28.825 -21.031 -7.381 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -29.318 -21.204 -9.557 1.00 20.00 N ATOM 1158 OXT GLN A 63 -28.110 -25.365 -11.555 1.00 20.00 O ATOM 0 H GLN A 63 -25.878 -24.370 -8.740 1.00 20.00 H new ATOM 0 HA GLN A 63 -28.515 -23.578 -9.800 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -25.729 -22.459 -10.270 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -27.207 -21.832 -10.973 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -26.506 -21.899 -8.018 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -26.516 -20.484 -9.052 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -28.982 -21.358 -10.508 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -30.311 -21.044 -9.386 1.00 20.00 H new TER 1167 GLN A 63