USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 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 47 TYR OH : rot 180:sc= -0.91 USER MOD Set 1.2: B 54 GLN : amide:sc= 0.105 K(o=-0.8,f=-1.3) USER MOD Set 2.1: B 31 SER OG : rot 180:sc= 1.09 USER MOD Set 2.2: B 34 THR OG1 : rot 120:sc= 1.14 USER MOD Set 3.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 25 ASN : amide:sc= 0.942 K(o=0.94,f=0.41) USER MOD Set 4.1: B 16 SER OG : rot -46:sc= 1.25 USER MOD Set 4.2: B 19 THR OG1 : rot -140:sc= 1.03 USER MOD Set 5.1: B 7 TYR OH : rot -82:sc= 0.872 USER MOD Set 5.2: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 31 SER OG : rot 57:sc= 0.256 USER MOD Set 6.2: A 34 THR OG1 : rot 180:sc= 0.257 USER MOD Set 7.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 29 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-0.88) USER MOD Set 8.1: A 18 GLN : amide:sc= -1.27 K(o=-2.7,f=-1.4) USER MOD Set 8.2: A 21 SER OG : rot 180:sc= 0 USER MOD Set 8.3: A 26 GLN : amide:sc= -1.47! C(o=-2.7!,f=-10!) USER MOD Set 9.1: A 16 SER OG : rot 180:sc= 0.817 USER MOD Set 9.2: A 19 THR OG1 : rot 68:sc= 0.893 USER MOD Single : A 5 THR OG1 : rot -80:sc= 0.557 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.021) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0866 (180deg=-0.374) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 142:sc= -2.62 (180deg=-4.65!) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 5 THR OG1 : rot -88:sc= -0.406! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.42) USER MOD Single : B 29 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.099) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -162:sc= -0.067 (180deg=-0.396) USER MOD Single : B 42 MET CE :methyl -127:sc= -0.0953 (180deg=-0.688) USER MOD Single : B 46 ASN : amide:sc=-0.00459 X(o=-0.0046,f=0) USER MOD Single : B 50 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.2!) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.028 -9.677 11.267 1.00 0.87 N ATOM 43 CA PRO A 3 5.230 -9.828 10.447 1.00 0.67 C ATOM 44 C PRO A 3 6.188 -8.648 10.603 1.00 0.57 C ATOM 45 O PRO A 3 5.761 -7.510 10.814 1.00 0.62 O ATOM 46 CB PRO A 3 4.678 -9.886 9.020 1.00 0.89 C ATOM 47 CG PRO A 3 3.386 -9.150 9.078 1.00 1.30 C ATOM 48 CD PRO A 3 2.829 -9.389 10.452 1.00 1.15 C ATOM 0 HA PRO A 3 5.812 -10.706 10.729 1.00 0.67 H new ATOM 0 HB2 PRO A 3 5.365 -9.423 8.312 1.00 0.89 H new ATOM 0 HB3 PRO A 3 4.532 -10.916 8.695 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.536 -8.085 8.899 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.699 -9.509 8.312 1.00 1.30 H new ATOM 0 HD2 PRO A 3 2.291 -8.517 10.824 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.128 -10.224 10.461 1.00 1.15 H new ATOM 56 N VAL A 4 7.481 -8.926 10.506 1.00 0.48 N ATOM 57 CA VAL A 4 8.498 -7.898 10.622 1.00 0.41 C ATOM 58 C VAL A 4 8.800 -7.345 9.240 1.00 0.36 C ATOM 59 O VAL A 4 8.961 -8.106 8.286 1.00 0.37 O ATOM 60 CB VAL A 4 9.781 -8.460 11.268 1.00 0.42 C ATOM 61 CG1 VAL A 4 10.872 -7.406 11.343 1.00 0.39 C ATOM 62 CG2 VAL A 4 9.469 -9.003 12.649 1.00 0.54 C ATOM 0 H VAL A 4 7.849 -9.864 10.346 1.00 0.48 H new ATOM 0 HA VAL A 4 8.127 -7.100 11.265 1.00 0.41 H new ATOM 0 HB VAL A 4 10.151 -9.271 10.641 1.00 0.42 H new ATOM 0 HG11 VAL A 4 11.762 -7.835 11.803 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.114 -7.061 10.338 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.524 -6.564 11.942 1.00 0.39 H new ATOM 0 HG21 VAL A 4 10.380 -9.398 13.099 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.073 -8.202 13.274 1.00 0.54 H new ATOM 0 HG23 VAL A 4 8.729 -9.799 12.568 1.00 0.54 H new ATOM 72 N THR A 5 8.868 -6.030 9.132 1.00 0.33 N ATOM 73 CA THR A 5 9.110 -5.384 7.859 1.00 0.31 C ATOM 74 C THR A 5 10.546 -4.884 7.766 1.00 0.26 C ATOM 75 O THR A 5 11.291 -4.919 8.749 1.00 0.26 O ATOM 76 CB THR A 5 8.117 -4.212 7.654 1.00 0.36 C ATOM 77 OG1 THR A 5 8.739 -2.968 7.992 1.00 0.37 O ATOM 78 CG2 THR A 5 6.872 -4.394 8.516 1.00 0.41 C ATOM 0 H THR A 5 8.758 -5.388 9.917 1.00 0.33 H new ATOM 0 HA THR A 5 8.955 -6.119 7.069 1.00 0.31 H new ATOM 0 HB THR A 5 7.826 -4.205 6.604 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.730 -2.852 8.965 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.192 -3.558 8.353 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.374 -5.325 8.245 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.159 -4.429 9.567 1.00 0.41 H new ATOM 86 N LEU A 6 10.936 -4.425 6.581 1.00 0.24 N ATOM 87 CA LEU A 6 12.279 -3.910 6.371 1.00 0.20 C ATOM 88 C LEU A 6 12.498 -2.639 7.186 1.00 0.21 C ATOM 89 O LEU A 6 13.636 -2.231 7.420 1.00 0.20 O ATOM 90 CB LEU A 6 12.542 -3.661 4.877 1.00 0.21 C ATOM 91 CG LEU A 6 11.998 -2.351 4.284 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.466 -2.195 2.844 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.476 -2.312 4.339 1.00 0.29 C ATOM 0 H LEU A 6 10.340 -4.400 5.754 1.00 0.24 H new ATOM 0 HA LEU A 6 12.992 -4.660 6.714 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.619 -3.686 4.713 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.115 -4.491 4.314 1.00 0.21 H new ATOM 0 HG LEU A 6 12.383 -1.525 4.882 1.00 0.25 H new ATOM 0 HD11 LEU A 6 12.075 -1.264 2.433 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.555 -2.175 2.816 1.00 0.29 H new ATOM 0 HD13 LEU A 6 12.103 -3.034 2.250 1.00 0.29 H new ATOM 0 HD21 LEU A 6 10.120 -1.374 3.913 1.00 0.29 H new ATOM 0 HD22 LEU A 6 10.070 -3.147 3.768 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.147 -2.387 5.376 1.00 0.29 H new ATOM 105 N TYR A 7 11.397 -2.029 7.637 1.00 0.25 N ATOM 106 CA TYR A 7 11.470 -0.820 8.445 1.00 0.28 C ATOM 107 C TYR A 7 11.903 -1.183 9.853 1.00 0.28 C ATOM 108 O TYR A 7 12.624 -0.430 10.513 1.00 0.30 O ATOM 109 CB TYR A 7 10.121 -0.097 8.498 1.00 0.34 C ATOM 110 CG TYR A 7 9.639 0.425 7.165 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.261 1.505 6.547 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.552 -0.157 6.530 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.809 1.986 5.331 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.096 0.319 5.317 1.00 0.44 C ATOM 115 CZ TYR A 7 8.727 1.391 4.721 1.00 0.44 C ATOM 116 OH TYR A 7 8.269 1.873 3.514 1.00 0.49 O ATOM 0 H TYR A 7 10.449 -2.357 7.453 1.00 0.25 H new ATOM 0 HA TYR A 7 12.196 -0.148 7.987 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.372 -0.780 8.899 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.197 0.738 9.195 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.109 1.975 7.023 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.054 -0.997 6.992 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.303 2.824 4.862 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.248 -0.146 4.836 1.00 0.44 H new ATOM 0 HH TYR A 7 7.500 1.341 3.220 1.00 0.49 H new ATOM 126 N ASP A 8 11.472 -2.360 10.299 1.00 0.28 N ATOM 127 CA ASP A 8 11.817 -2.844 11.627 1.00 0.29 C ATOM 128 C ASP A 8 13.301 -3.159 11.686 1.00 0.24 C ATOM 129 O ASP A 8 13.980 -2.865 12.670 1.00 0.25 O ATOM 130 CB ASP A 8 11.016 -4.100 11.978 1.00 0.35 C ATOM 131 CG ASP A 8 9.567 -3.810 12.315 1.00 0.93 C ATOM 132 OD1 ASP A 8 8.723 -3.799 11.391 1.00 1.75 O ATOM 133 OD2 ASP A 8 9.267 -3.601 13.509 1.00 1.51 O ATOM 0 H ASP A 8 10.884 -2.994 9.758 1.00 0.28 H new ATOM 0 HA ASP A 8 11.574 -2.065 12.349 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.055 -4.794 11.139 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.487 -4.598 12.826 1.00 0.35 H new ATOM 138 N VAL A 9 13.793 -3.749 10.604 1.00 0.21 N ATOM 139 CA VAL A 9 15.198 -4.115 10.489 1.00 0.19 C ATOM 140 C VAL A 9 16.059 -2.868 10.416 1.00 0.18 C ATOM 141 O VAL A 9 17.102 -2.774 11.063 1.00 0.20 O ATOM 142 CB VAL A 9 15.446 -4.966 9.231 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.861 -5.504 9.215 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.439 -6.088 9.145 1.00 0.22 C ATOM 0 H VAL A 9 13.232 -3.986 9.786 1.00 0.21 H new ATOM 0 HA VAL A 9 15.463 -4.698 11.371 1.00 0.19 H new ATOM 0 HB VAL A 9 15.321 -4.329 8.355 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.013 -6.102 8.317 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.566 -4.673 9.221 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.024 -6.125 10.096 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.629 -6.680 8.250 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.527 -6.724 10.026 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.433 -5.671 9.098 1.00 0.22 H new ATOM 154 N ALA A 10 15.606 -1.918 9.615 1.00 0.19 N ATOM 155 CA ALA A 10 16.303 -0.654 9.441 1.00 0.22 C ATOM 156 C ALA A 10 16.450 0.073 10.769 1.00 0.26 C ATOM 157 O ALA A 10 17.486 0.663 11.051 1.00 0.30 O ATOM 158 CB ALA A 10 15.571 0.213 8.429 1.00 0.26 C ATOM 0 H ALA A 10 14.748 -2.000 9.069 1.00 0.19 H new ATOM 0 HA ALA A 10 17.304 -0.861 9.062 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.102 1.157 8.307 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.526 -0.305 7.471 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.559 0.409 8.783 1.00 0.26 H new ATOM 164 N GLU A 11 15.419 0.008 11.595 1.00 0.29 N ATOM 165 CA GLU A 11 15.446 0.659 12.896 1.00 0.35 C ATOM 166 C GLU A 11 16.263 -0.143 13.901 1.00 0.37 C ATOM 167 O GLU A 11 16.819 0.417 14.845 1.00 0.46 O ATOM 168 CB GLU A 11 14.027 0.876 13.412 1.00 0.37 C ATOM 169 CG GLU A 11 13.418 2.177 12.925 1.00 0.94 C ATOM 170 CD GLU A 11 11.908 2.195 12.998 1.00 1.51 C ATOM 171 OE1 GLU A 11 11.331 1.477 13.842 1.00 2.14 O ATOM 172 OE2 GLU A 11 11.285 2.935 12.207 1.00 2.21 O ATOM 0 H GLU A 11 14.552 -0.489 11.389 1.00 0.29 H new ATOM 0 HA GLU A 11 15.927 1.629 12.775 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.398 0.044 13.094 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.037 0.870 14.502 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.813 3.000 13.520 1.00 0.94 H new ATOM 0 HG3 GLU A 11 13.727 2.351 11.894 1.00 0.94 H new ATOM 179 N TYR A 12 16.335 -1.453 13.697 1.00 0.32 N ATOM 180 CA TYR A 12 17.097 -2.325 14.587 1.00 0.38 C ATOM 181 C TYR A 12 18.592 -2.211 14.294 1.00 0.38 C ATOM 182 O TYR A 12 19.418 -2.241 15.206 1.00 0.45 O ATOM 183 CB TYR A 12 16.640 -3.784 14.432 1.00 0.39 C ATOM 184 CG TYR A 12 16.979 -4.665 15.618 1.00 0.47 C ATOM 185 CD1 TYR A 12 18.292 -5.020 15.902 1.00 1.10 C ATOM 186 CD2 TYR A 12 15.980 -5.135 16.462 1.00 1.38 C ATOM 187 CE1 TYR A 12 18.600 -5.808 16.991 1.00 1.07 C ATOM 188 CE2 TYR A 12 16.279 -5.929 17.553 1.00 1.49 C ATOM 189 CZ TYR A 12 17.591 -6.259 17.815 1.00 0.69 C ATOM 190 OH TYR A 12 17.899 -7.041 18.908 1.00 0.82 O ATOM 0 H TYR A 12 15.876 -1.936 12.924 1.00 0.32 H new ATOM 0 HA TYR A 12 16.915 -2.009 15.614 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.561 -3.802 14.276 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.099 -4.205 13.537 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.086 -4.672 15.258 1.00 1.10 H new ATOM 0 HD2 TYR A 12 14.951 -4.875 16.262 1.00 1.38 H new ATOM 0 HE1 TYR A 12 19.627 -6.071 17.197 1.00 1.07 H new ATOM 0 HE2 TYR A 12 15.489 -6.289 18.196 1.00 1.49 H new ATOM 0 HH TYR A 12 17.076 -7.274 19.386 1.00 0.82 H new ATOM 200 N ALA A 13 18.932 -2.066 13.020 1.00 0.33 N ATOM 201 CA ALA A 13 20.328 -1.965 12.610 1.00 0.36 C ATOM 202 C ALA A 13 20.812 -0.520 12.607 1.00 0.39 C ATOM 203 O ALA A 13 22.012 -0.258 12.601 1.00 0.46 O ATOM 204 CB ALA A 13 20.509 -2.576 11.234 1.00 0.33 C ATOM 0 H ALA A 13 18.262 -2.016 12.253 1.00 0.33 H new ATOM 0 HA ALA A 13 20.928 -2.514 13.335 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.554 -2.496 10.935 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.218 -3.626 11.261 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.885 -2.045 10.515 1.00 0.33 H new ATOM 210 N GLY A 14 19.871 0.413 12.615 1.00 0.38 N ATOM 211 CA GLY A 14 20.223 1.820 12.597 1.00 0.43 C ATOM 212 C GLY A 14 20.577 2.272 11.198 1.00 0.43 C ATOM 213 O GLY A 14 21.519 3.037 10.996 1.00 0.52 O ATOM 0 H GLY A 14 18.869 0.222 12.634 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.389 2.412 12.974 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.067 1.996 13.264 1.00 0.43 H new ATOM 217 N VAL A 15 19.816 1.772 10.235 1.00 0.35 N ATOM 218 CA VAL A 15 20.019 2.081 8.832 1.00 0.35 C ATOM 219 C VAL A 15 18.697 2.478 8.201 1.00 0.34 C ATOM 220 O VAL A 15 17.693 2.642 8.893 1.00 0.36 O ATOM 221 CB VAL A 15 20.580 0.863 8.065 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.983 0.536 8.531 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.673 -0.346 8.238 1.00 0.28 C ATOM 0 H VAL A 15 19.037 1.137 10.409 1.00 0.35 H new ATOM 0 HA VAL A 15 20.736 2.900 8.771 1.00 0.35 H new ATOM 0 HB VAL A 15 20.618 1.119 7.006 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.359 -0.325 7.978 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.634 1.393 8.355 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.968 0.304 9.596 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.087 -1.193 7.690 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.601 -0.599 9.296 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.680 -0.114 7.852 1.00 0.28 H new ATOM 233 N SER A 16 18.699 2.637 6.891 1.00 0.35 N ATOM 234 CA SER A 16 17.486 2.970 6.177 1.00 0.35 C ATOM 235 C SER A 16 16.869 1.698 5.617 1.00 0.32 C ATOM 236 O SER A 16 17.561 0.687 5.462 1.00 0.32 O ATOM 237 CB SER A 16 17.777 3.958 5.044 1.00 0.40 C ATOM 238 OG SER A 16 18.499 3.333 3.992 1.00 1.26 O ATOM 0 H SER A 16 19.527 2.541 6.303 1.00 0.35 H new ATOM 0 HA SER A 16 16.787 3.443 6.867 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.840 4.359 4.658 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.349 4.801 5.431 1.00 0.40 H new ATOM 0 HG SER A 16 18.671 3.985 3.281 1.00 1.26 H new ATOM 244 N TYR A 17 15.572 1.733 5.335 1.00 0.32 N ATOM 245 CA TYR A 17 14.893 0.571 4.772 1.00 0.30 C ATOM 246 C TYR A 17 15.493 0.249 3.411 1.00 0.31 C ATOM 247 O TYR A 17 15.463 -0.894 2.951 1.00 0.30 O ATOM 248 CB TYR A 17 13.379 0.806 4.660 1.00 0.33 C ATOM 249 CG TYR A 17 12.990 1.994 3.811 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.869 3.260 4.367 1.00 1.14 C ATOM 251 CD2 TYR A 17 12.738 1.849 2.451 1.00 1.27 C ATOM 252 CE1 TYR A 17 12.514 4.347 3.595 1.00 1.16 C ATOM 253 CE2 TYR A 17 12.381 2.930 1.673 1.00 1.32 C ATOM 254 CZ TYR A 17 12.272 4.176 2.249 1.00 0.54 C ATOM 255 OH TYR A 17 11.925 5.259 1.479 1.00 0.65 O ATOM 0 H TYR A 17 14.973 2.545 5.485 1.00 0.32 H new ATOM 0 HA TYR A 17 15.038 -0.278 5.441 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.915 -0.089 4.245 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.970 0.942 5.661 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.056 3.397 5.422 1.00 1.14 H new ATOM 0 HD2 TYR A 17 12.823 0.873 1.996 1.00 1.27 H new ATOM 0 HE1 TYR A 17 12.426 5.326 4.043 1.00 1.16 H new ATOM 0 HE2 TYR A 17 12.188 2.800 0.618 1.00 1.32 H new ATOM 0 HH TYR A 17 11.790 4.971 0.552 1.00 0.65 H new ATOM 265 N GLN A 18 16.055 1.280 2.781 1.00 0.35 N ATOM 266 CA GLN A 18 16.701 1.135 1.492 1.00 0.37 C ATOM 267 C GLN A 18 17.953 0.285 1.649 1.00 0.33 C ATOM 268 O GLN A 18 18.291 -0.508 0.771 1.00 0.34 O ATOM 269 CB GLN A 18 17.056 2.506 0.909 1.00 0.46 C ATOM 270 CG GLN A 18 17.597 2.444 -0.508 1.00 0.77 C ATOM 271 CD GLN A 18 16.640 1.773 -1.477 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.814 2.428 -2.097 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.740 0.459 -1.604 1.00 1.09 N ATOM 0 H GLN A 18 16.072 2.230 3.153 1.00 0.35 H new ATOM 0 HA GLN A 18 16.015 0.643 0.802 1.00 0.37 H new ATOM 0 HB2 GLN A 18 16.168 3.138 0.922 1.00 0.46 H new ATOM 0 HB3 GLN A 18 17.796 2.983 1.551 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.808 3.455 -0.855 1.00 0.77 H new ATOM 0 HG3 GLN A 18 18.543 1.903 -0.507 1.00 0.77 H new ATOM 0 HE21 GLN A 18 17.442 -0.053 -1.070 1.00 1.09 H new ATOM 0 HE22 GLN A 18 16.115 -0.041 -2.236 1.00 1.09 H new ATOM 282 N THR A 19 18.620 0.444 2.789 1.00 0.33 N ATOM 283 CA THR A 19 19.824 -0.320 3.090 1.00 0.34 C ATOM 284 C THR A 19 19.463 -1.783 3.283 1.00 0.29 C ATOM 285 O THR A 19 20.172 -2.678 2.828 1.00 0.31 O ATOM 286 CB THR A 19 20.515 0.212 4.356 1.00 0.39 C ATOM 287 OG1 THR A 19 20.748 1.616 4.218 1.00 0.49 O ATOM 288 CG2 THR A 19 21.834 -0.501 4.606 1.00 0.45 C ATOM 0 H THR A 19 18.344 1.098 3.521 1.00 0.33 H new ATOM 0 HA THR A 19 20.515 -0.216 2.253 1.00 0.34 H new ATOM 0 HB THR A 19 19.860 0.024 5.207 1.00 0.39 H new ATOM 0 HG1 THR A 19 19.891 2.091 4.213 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.298 -0.102 5.508 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.652 -1.568 4.733 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.499 -0.345 3.757 1.00 0.45 H new ATOM 296 N VAL A 20 18.353 -2.010 3.969 1.00 0.25 N ATOM 297 CA VAL A 20 17.855 -3.356 4.199 1.00 0.21 C ATOM 298 C VAL A 20 17.568 -4.045 2.863 1.00 0.20 C ATOM 299 O VAL A 20 18.095 -5.123 2.586 1.00 0.24 O ATOM 300 CB VAL A 20 16.582 -3.328 5.073 1.00 0.21 C ATOM 301 CG1 VAL A 20 15.996 -4.721 5.225 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.890 -2.732 6.434 1.00 0.24 C ATOM 0 H VAL A 20 17.778 -1.274 4.378 1.00 0.25 H new ATOM 0 HA VAL A 20 18.620 -3.921 4.731 1.00 0.21 H new ATOM 0 HB VAL A 20 15.842 -2.702 4.575 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.101 -4.673 5.845 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.737 -5.116 4.243 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.729 -5.375 5.697 1.00 0.23 H new ATOM 0 HG21 VAL A 20 15.983 -2.719 7.039 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.650 -3.335 6.932 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.259 -1.714 6.310 1.00 0.24 H new ATOM 312 N SER A 21 16.766 -3.393 2.020 1.00 0.22 N ATOM 313 CA SER A 21 16.422 -3.935 0.706 1.00 0.25 C ATOM 314 C SER A 21 17.680 -4.089 -0.152 1.00 0.27 C ATOM 315 O SER A 21 17.769 -4.995 -0.986 1.00 0.32 O ATOM 316 CB SER A 21 15.411 -3.020 0.003 1.00 0.32 C ATOM 317 OG SER A 21 15.055 -3.515 -1.280 1.00 0.87 O ATOM 0 H SER A 21 16.342 -2.488 2.225 1.00 0.22 H new ATOM 0 HA SER A 21 15.970 -4.918 0.842 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.516 -2.927 0.618 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.834 -2.020 -0.097 1.00 0.32 H new ATOM 0 HG SER A 21 14.409 -2.908 -1.697 1.00 0.87 H new ATOM 323 N ARG A 22 18.658 -3.217 0.098 1.00 0.30 N ATOM 324 CA ARG A 22 19.927 -3.216 -0.631 1.00 0.40 C ATOM 325 C ARG A 22 20.654 -4.544 -0.476 1.00 0.39 C ATOM 326 O ARG A 22 21.429 -4.937 -1.338 1.00 0.58 O ATOM 327 CB ARG A 22 20.825 -2.083 -0.119 1.00 0.51 C ATOM 328 CG ARG A 22 21.222 -1.072 -1.183 1.00 0.82 C ATOM 329 CD ARG A 22 20.012 -0.512 -1.911 1.00 0.75 C ATOM 330 NE ARG A 22 20.106 0.931 -2.110 1.00 0.73 N ATOM 331 CZ ARG A 22 19.770 1.546 -3.245 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.361 0.839 -4.292 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.853 2.867 -3.335 1.00 1.28 N ATOM 0 H ARG A 22 18.592 -2.491 0.812 1.00 0.30 H new ATOM 0 HA ARG A 22 19.705 -3.064 -1.687 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.309 -1.561 0.687 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.729 -2.516 0.309 1.00 0.51 H new ATOM 0 HG2 ARG A 22 21.777 -0.256 -0.720 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.891 -1.545 -1.902 1.00 0.82 H new ATOM 0 HD2 ARG A 22 19.912 -1.004 -2.878 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.110 -0.740 -1.343 1.00 0.75 H new ATOM 0 HE ARG A 22 20.448 1.502 -1.337 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.303 -0.177 -4.230 1.00 2.03 H new ATOM 0 HH12 ARG A 22 19.105 1.312 -5.158 1.00 2.03 H new ATOM 0 HH21 ARG A 22 20.174 3.413 -2.536 1.00 1.28 H new ATOM 0 HH22 ARG A 22 19.596 3.336 -4.203 1.00 1.28 H new ATOM 347 N VAL A 23 20.401 -5.228 0.629 1.00 0.29 N ATOM 348 CA VAL A 23 21.039 -6.507 0.894 1.00 0.33 C ATOM 349 C VAL A 23 20.089 -7.668 0.622 1.00 0.34 C ATOM 350 O VAL A 23 20.438 -8.619 -0.078 1.00 0.43 O ATOM 351 CB VAL A 23 21.513 -6.599 2.360 1.00 0.34 C ATOM 352 CG1 VAL A 23 22.349 -7.850 2.582 1.00 0.44 C ATOM 353 CG2 VAL A 23 22.281 -5.352 2.758 1.00 0.33 C ATOM 0 H VAL A 23 19.758 -4.918 1.357 1.00 0.29 H new ATOM 0 HA VAL A 23 21.897 -6.574 0.225 1.00 0.33 H new ATOM 0 HB VAL A 23 20.632 -6.668 2.998 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.671 -7.892 3.622 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.752 -8.732 2.351 1.00 0.44 H new ATOM 0 HG13 VAL A 23 23.224 -7.823 1.932 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.605 -5.440 3.795 1.00 0.33 H new ATOM 0 HG22 VAL A 23 23.153 -5.241 2.114 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.637 -4.479 2.652 1.00 0.33 H new ATOM 363 N VAL A 24 18.882 -7.561 1.166 1.00 0.29 N ATOM 364 CA VAL A 24 17.869 -8.608 1.047 1.00 0.32 C ATOM 365 C VAL A 24 17.551 -8.997 -0.398 1.00 0.34 C ATOM 366 O VAL A 24 17.587 -10.183 -0.737 1.00 0.41 O ATOM 367 CB VAL A 24 16.555 -8.209 1.758 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.553 -9.353 1.710 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.824 -7.819 3.202 1.00 0.35 C ATOM 0 H VAL A 24 18.577 -6.748 1.701 1.00 0.29 H new ATOM 0 HA VAL A 24 18.309 -9.478 1.534 1.00 0.32 H new ATOM 0 HB VAL A 24 16.135 -7.350 1.235 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.635 -9.054 2.215 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.332 -9.600 0.672 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.974 -10.226 2.209 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.887 -7.542 3.685 1.00 0.35 H new ATOM 0 HG22 VAL A 24 17.268 -8.663 3.730 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.510 -6.972 3.228 1.00 0.35 H new ATOM 379 N ASN A 25 17.255 -8.025 -1.256 1.00 0.33 N ATOM 380 CA ASN A 25 16.885 -8.350 -2.637 1.00 0.42 C ATOM 381 C ASN A 25 17.648 -7.539 -3.682 1.00 0.76 C ATOM 382 O ASN A 25 17.185 -7.400 -4.817 1.00 0.94 O ATOM 383 CB ASN A 25 15.384 -8.138 -2.845 1.00 0.83 C ATOM 384 CG ASN A 25 14.529 -9.040 -1.975 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.536 -10.261 -2.137 1.00 1.72 O ATOM 386 ND2 ASN A 25 13.780 -8.441 -1.056 1.00 1.15 N ATOM 0 H ASN A 25 17.262 -7.030 -1.032 1.00 0.33 H new ATOM 0 HA ASN A 25 17.154 -9.397 -2.780 1.00 0.42 H new ATOM 0 HB2 ASN A 25 15.137 -7.098 -2.632 1.00 0.83 H new ATOM 0 HB3 ASN A 25 15.140 -8.316 -3.892 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.178 -8.996 -0.448 1.00 1.15 H new ATOM 0 HD22 ASN A 25 13.807 -7.426 -0.958 1.00 1.15 H new ATOM 393 N GLN A 26 18.807 -7.009 -3.333 1.00 1.08 N ATOM 394 CA GLN A 26 19.568 -6.228 -4.305 1.00 1.58 C ATOM 395 C GLN A 26 21.015 -6.692 -4.405 1.00 1.10 C ATOM 396 O GLN A 26 21.499 -6.971 -5.505 1.00 1.64 O ATOM 397 CB GLN A 26 19.505 -4.737 -3.967 1.00 2.64 C ATOM 398 CG GLN A 26 18.104 -4.169 -4.088 1.00 3.42 C ATOM 399 CD GLN A 26 18.056 -2.658 -4.052 1.00 4.28 C ATOM 400 OE1 GLN A 26 19.000 -1.976 -4.454 1.00 4.88 O ATOM 401 NE2 GLN A 26 16.947 -2.123 -3.559 1.00 4.73 N ATOM 0 H GLN A 26 19.237 -7.098 -2.412 1.00 1.08 H new ATOM 0 HA GLN A 26 19.107 -6.388 -5.280 1.00 1.58 H new ATOM 0 HB2 GLN A 26 19.869 -4.583 -2.951 1.00 2.64 H new ATOM 0 HB3 GLN A 26 20.173 -4.189 -4.631 1.00 2.64 H new ATOM 0 HG2 GLN A 26 17.660 -4.516 -5.021 1.00 3.42 H new ATOM 0 HG3 GLN A 26 17.491 -4.563 -3.278 1.00 3.42 H new ATOM 0 HE21 GLN A 26 16.189 -2.725 -3.237 1.00 4.73 H new ATOM 0 HE22 GLN A 26 16.852 -1.109 -3.502 1.00 4.73 H new ATOM 410 N ALA A 27 21.700 -6.754 -3.265 1.00 0.83 N ATOM 411 CA ALA A 27 23.100 -7.176 -3.211 1.00 1.50 C ATOM 412 C ALA A 27 23.990 -6.219 -4.002 1.00 1.34 C ATOM 413 O ALA A 27 24.938 -6.628 -4.676 1.00 2.01 O ATOM 414 CB ALA A 27 23.254 -8.606 -3.705 1.00 2.27 C ATOM 0 H ALA A 27 21.304 -6.515 -2.356 1.00 0.83 H new ATOM 0 HA ALA A 27 23.423 -7.146 -2.170 1.00 1.50 H new ATOM 0 HB1 ALA A 27 24.303 -8.897 -3.655 1.00 2.27 H new ATOM 0 HB2 ALA A 27 22.662 -9.273 -3.078 1.00 2.27 H new ATOM 0 HB3 ALA A 27 22.907 -8.674 -4.736 1.00 2.27 H new ATOM 420 N SER A 28 23.670 -4.942 -3.894 1.00 1.04 N ATOM 421 CA SER A 28 24.399 -3.881 -4.570 1.00 0.84 C ATOM 422 C SER A 28 24.200 -2.593 -3.789 1.00 0.71 C ATOM 423 O SER A 28 23.214 -2.478 -3.061 1.00 0.73 O ATOM 424 CB SER A 28 23.900 -3.717 -6.006 1.00 0.91 C ATOM 425 OG SER A 28 24.925 -3.219 -6.851 1.00 1.52 O ATOM 0 H SER A 28 22.889 -4.608 -3.329 1.00 1.04 H new ATOM 0 HA SER A 28 25.459 -4.130 -4.614 1.00 0.84 H new ATOM 0 HB2 SER A 28 23.548 -4.677 -6.384 1.00 0.91 H new ATOM 0 HB3 SER A 28 23.049 -3.037 -6.023 1.00 0.91 H new ATOM 0 HG SER A 28 24.580 -3.125 -7.763 1.00 1.52 H new ATOM 431 N HIS A 29 25.104 -1.620 -3.949 1.00 0.61 N ATOM 432 CA HIS A 29 25.029 -0.367 -3.215 1.00 0.53 C ATOM 433 C HIS A 29 25.206 -0.601 -1.713 1.00 0.59 C ATOM 434 O HIS A 29 24.670 0.146 -0.899 1.00 0.76 O ATOM 435 CB HIS A 29 23.716 0.375 -3.445 1.00 0.50 C ATOM 436 CG HIS A 29 23.284 0.558 -4.870 1.00 0.50 C ATOM 437 ND1 HIS A 29 22.334 1.484 -5.225 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.675 -0.035 -6.025 1.00 0.64 C ATOM 439 CE1 HIS A 29 22.157 1.460 -6.522 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.957 0.548 -7.037 1.00 0.63 N ATOM 0 H HIS A 29 25.898 -1.684 -4.586 1.00 0.61 H new ATOM 0 HA HIS A 29 25.841 0.252 -3.597 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.927 -0.159 -2.916 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.797 1.360 -2.985 1.00 0.50 H new ATOM 0 HD2 HIS A 29 24.412 -0.818 -6.128 1.00 0.64 H new ATOM 0 HE1 HIS A 29 21.471 2.083 -7.077 1.00 0.53 H new ATOM 0 HE2 HIS A 29 23.030 0.314 -8.027 1.00 0.63 H new ATOM 449 N VAL A 30 25.940 -1.647 -1.349 1.00 0.66 N ATOM 450 CA VAL A 30 26.192 -1.952 0.052 1.00 0.76 C ATOM 451 C VAL A 30 27.685 -2.056 0.292 1.00 0.72 C ATOM 452 O VAL A 30 28.382 -2.806 -0.394 1.00 0.78 O ATOM 453 CB VAL A 30 25.530 -3.268 0.519 1.00 0.94 C ATOM 454 CG1 VAL A 30 25.070 -3.140 1.961 1.00 1.01 C ATOM 455 CG2 VAL A 30 24.365 -3.653 -0.368 1.00 1.16 C ATOM 0 H VAL A 30 26.371 -2.297 -2.006 1.00 0.66 H new ATOM 0 HA VAL A 30 25.752 -1.137 0.627 1.00 0.76 H new ATOM 0 HB VAL A 30 26.277 -4.059 0.448 1.00 0.94 H new ATOM 0 HG11 VAL A 30 24.605 -4.073 2.279 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.928 -2.926 2.599 1.00 1.01 H new ATOM 0 HG13 VAL A 30 24.347 -2.329 2.041 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.925 -4.583 -0.008 1.00 1.16 H new ATOM 0 HG22 VAL A 30 23.614 -2.864 -0.345 1.00 1.16 H new ATOM 0 HG23 VAL A 30 24.716 -3.790 -1.391 1.00 1.16 H new ATOM 465 N SER A 31 28.168 -1.308 1.266 1.00 0.71 N ATOM 466 CA SER A 31 29.588 -1.298 1.592 1.00 0.76 C ATOM 467 C SER A 31 30.008 -2.579 2.318 1.00 0.83 C ATOM 468 O SER A 31 30.397 -3.553 1.680 1.00 1.30 O ATOM 469 CB SER A 31 29.910 -0.068 2.435 1.00 0.75 C ATOM 470 OG SER A 31 28.738 0.411 3.077 1.00 0.74 O ATOM 0 H SER A 31 27.598 -0.696 1.849 1.00 0.71 H new ATOM 0 HA SER A 31 30.155 -1.255 0.662 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.665 -0.317 3.181 1.00 0.75 H new ATOM 0 HB3 SER A 31 30.332 0.714 1.803 1.00 0.75 H new ATOM 0 HG SER A 31 28.348 -0.304 3.621 1.00 0.74 H new ATOM 476 N ALA A 32 29.915 -2.582 3.648 1.00 0.86 N ATOM 477 CA ALA A 32 30.295 -3.755 4.427 1.00 0.86 C ATOM 478 C ALA A 32 29.676 -3.732 5.820 1.00 0.75 C ATOM 479 O ALA A 32 28.884 -4.611 6.165 1.00 0.69 O ATOM 480 CB ALA A 32 31.812 -3.865 4.523 1.00 1.06 C ATOM 0 H ALA A 32 29.583 -1.792 4.202 1.00 0.86 H new ATOM 0 HA ALA A 32 29.909 -4.632 3.907 1.00 0.86 H new ATOM 0 HB1 ALA A 32 32.077 -4.746 5.108 1.00 1.06 H new ATOM 0 HB2 ALA A 32 32.234 -3.953 3.522 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.211 -2.974 5.008 1.00 1.06 H new ATOM 486 N LYS A 33 30.031 -2.718 6.610 1.00 0.80 N ATOM 487 CA LYS A 33 29.523 -2.586 7.978 1.00 0.78 C ATOM 488 C LYS A 33 28.002 -2.600 7.993 1.00 0.67 C ATOM 489 O LYS A 33 27.383 -3.244 8.842 1.00 0.69 O ATOM 490 CB LYS A 33 30.024 -1.296 8.627 1.00 0.94 C ATOM 491 CG LYS A 33 31.475 -0.972 8.326 1.00 1.53 C ATOM 492 CD LYS A 33 31.892 0.337 8.977 1.00 1.99 C ATOM 493 CE LYS A 33 33.334 0.692 8.657 1.00 2.99 C ATOM 494 NZ LYS A 33 33.597 0.703 7.195 1.00 3.39 N ATOM 0 H LYS A 33 30.669 -1.975 6.326 1.00 0.80 H new ATOM 0 HA LYS A 33 29.895 -3.437 8.548 1.00 0.78 H new ATOM 0 HB2 LYS A 33 29.401 -0.467 8.291 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.897 -1.372 9.707 1.00 0.94 H new ATOM 0 HG2 LYS A 33 32.113 -1.779 8.685 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.620 -0.907 7.248 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.236 1.138 8.636 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.767 0.262 10.057 1.00 1.99 H new ATOM 0 HE2 LYS A 33 33.566 1.672 9.074 1.00 2.99 H new ATOM 0 HE3 LYS A 33 33.999 -0.025 9.139 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 34.514 1.157 7.011 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 33.617 -0.274 6.838 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 32.845 1.233 6.711 1.00 3.39 H new ATOM 508 N THR A 34 27.408 -1.887 7.043 1.00 0.61 N ATOM 509 CA THR A 34 25.958 -1.814 6.931 1.00 0.54 C ATOM 510 C THR A 34 25.361 -3.176 6.599 1.00 0.51 C ATOM 511 O THR A 34 24.360 -3.577 7.179 1.00 0.49 O ATOM 512 CB THR A 34 25.537 -0.800 5.852 1.00 0.53 C ATOM 513 OG1 THR A 34 26.621 -0.578 4.942 1.00 0.65 O ATOM 514 CG2 THR A 34 25.112 0.515 6.484 1.00 0.56 C ATOM 0 H THR A 34 27.911 -1.350 6.337 1.00 0.61 H new ATOM 0 HA THR A 34 25.578 -1.486 7.899 1.00 0.54 H new ATOM 0 HB THR A 34 24.687 -1.210 5.306 1.00 0.53 H new ATOM 0 HG1 THR A 34 26.346 0.067 4.257 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.819 1.216 5.703 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.268 0.342 7.152 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.944 0.932 7.052 1.00 0.56 H new ATOM 522 N ARG A 35 25.994 -3.902 5.693 1.00 0.51 N ATOM 523 CA ARG A 35 25.505 -5.216 5.293 1.00 0.51 C ATOM 524 C ARG A 35 25.566 -6.187 6.465 1.00 0.52 C ATOM 525 O ARG A 35 24.633 -6.958 6.700 1.00 0.52 O ATOM 526 CB ARG A 35 26.333 -5.745 4.120 1.00 0.53 C ATOM 527 CG ARG A 35 25.822 -7.052 3.537 1.00 0.70 C ATOM 528 CD ARG A 35 26.594 -7.435 2.284 1.00 0.79 C ATOM 529 NE ARG A 35 28.037 -7.346 2.486 1.00 1.64 N ATOM 530 CZ ARG A 35 28.901 -6.929 1.558 1.00 2.19 C ATOM 531 NH1 ARG A 35 28.486 -6.638 0.334 1.00 2.09 N ATOM 532 NH2 ARG A 35 30.189 -6.825 1.855 1.00 3.31 N ATOM 0 H ARG A 35 26.847 -3.606 5.219 1.00 0.51 H new ATOM 0 HA ARG A 35 24.465 -5.123 4.979 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.351 -4.991 3.333 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.362 -5.885 4.450 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.913 -7.845 4.280 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.762 -6.958 3.300 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.330 -8.451 1.991 1.00 0.79 H new ATOM 0 HD3 ARG A 35 26.301 -6.781 1.463 1.00 0.79 H new ATOM 0 HE ARG A 35 28.409 -7.620 3.395 1.00 1.64 H new ATOM 0 HH11 ARG A 35 27.499 -6.732 0.094 1.00 2.09 H new ATOM 0 HH12 ARG A 35 29.153 -6.320 -0.369 1.00 2.09 H new ATOM 0 HH21 ARG A 35 30.517 -7.063 2.791 1.00 3.31 H new ATOM 0 HH22 ARG A 35 30.851 -6.507 1.148 1.00 3.31 H new ATOM 546 N GLU A 36 26.655 -6.111 7.221 1.00 0.56 N ATOM 547 CA GLU A 36 26.863 -6.990 8.364 1.00 0.58 C ATOM 548 C GLU A 36 25.921 -6.671 9.521 1.00 0.54 C ATOM 549 O GLU A 36 25.670 -7.524 10.374 1.00 0.61 O ATOM 550 CB GLU A 36 28.312 -6.897 8.835 1.00 0.67 C ATOM 551 CG GLU A 36 29.309 -7.320 7.777 1.00 0.70 C ATOM 552 CD GLU A 36 30.725 -7.399 8.308 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.076 -8.426 8.931 1.00 1.45 O ATOM 554 OE2 GLU A 36 31.497 -6.440 8.108 1.00 1.39 O ATOM 0 H GLU A 36 27.411 -5.445 7.061 1.00 0.56 H new ATOM 0 HA GLU A 36 26.643 -8.006 8.036 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.525 -5.871 9.137 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.441 -7.522 9.718 1.00 0.67 H new ATOM 0 HG2 GLU A 36 29.020 -8.293 7.379 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.275 -6.613 6.948 1.00 0.70 H new ATOM 561 N LYS A 37 25.391 -5.452 9.547 1.00 0.49 N ATOM 562 CA LYS A 37 24.492 -5.053 10.620 1.00 0.47 C ATOM 563 C LYS A 37 23.044 -5.301 10.226 1.00 0.39 C ATOM 564 O LYS A 37 22.192 -5.538 11.079 1.00 0.38 O ATOM 565 CB LYS A 37 24.711 -3.585 11.003 1.00 0.52 C ATOM 566 CG LYS A 37 24.117 -2.581 10.033 1.00 0.86 C ATOM 567 CD LYS A 37 24.312 -1.154 10.517 1.00 0.84 C ATOM 568 CE LYS A 37 25.784 -0.815 10.671 1.00 0.73 C ATOM 569 NZ LYS A 37 25.995 0.627 10.964 1.00 0.98 N ATOM 0 H LYS A 37 25.567 -4.732 8.846 1.00 0.49 H new ATOM 0 HA LYS A 37 24.716 -5.663 11.495 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.282 -3.413 11.990 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.782 -3.401 11.085 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.582 -2.701 9.054 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.053 -2.781 9.907 1.00 0.86 H new ATOM 0 HD2 LYS A 37 23.850 -0.463 9.812 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.805 -1.020 11.472 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.212 -1.415 11.474 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.315 -1.081 9.757 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 27.013 0.816 11.062 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.610 1.199 10.186 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 25.510 0.876 11.850 1.00 0.98 H new ATOM 583 N VAL A 38 22.771 -5.264 8.928 1.00 0.36 N ATOM 584 CA VAL A 38 21.421 -5.494 8.432 1.00 0.31 C ATOM 585 C VAL A 38 21.068 -6.975 8.492 1.00 0.32 C ATOM 586 O VAL A 38 19.997 -7.348 8.971 1.00 0.31 O ATOM 587 CB VAL A 38 21.247 -4.982 6.989 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.892 -5.392 6.433 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.398 -3.471 6.948 1.00 0.30 C ATOM 0 H VAL A 38 23.463 -5.078 8.203 1.00 0.36 H new ATOM 0 HA VAL A 38 20.745 -4.934 9.078 1.00 0.31 H new ATOM 0 HB VAL A 38 22.022 -5.431 6.368 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.790 -5.021 5.413 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.813 -6.479 6.433 1.00 0.26 H new ATOM 0 HG13 VAL A 38 19.101 -4.971 7.054 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.273 -3.121 5.923 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.640 -3.012 7.583 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.389 -3.194 7.308 1.00 0.30 H new ATOM 599 N GLU A 39 21.990 -7.817 8.039 1.00 0.36 N ATOM 600 CA GLU A 39 21.771 -9.257 8.040 1.00 0.39 C ATOM 601 C GLU A 39 21.747 -9.790 9.467 1.00 0.41 C ATOM 602 O GLU A 39 21.223 -10.873 9.735 1.00 0.43 O ATOM 603 CB GLU A 39 22.850 -9.967 7.227 1.00 0.44 C ATOM 604 CG GLU A 39 22.855 -9.571 5.762 1.00 0.55 C ATOM 605 CD GLU A 39 23.531 -10.601 4.885 1.00 0.82 C ATOM 606 OE1 GLU A 39 24.761 -10.498 4.679 1.00 1.59 O ATOM 607 OE2 GLU A 39 22.836 -11.517 4.396 1.00 1.44 O ATOM 0 H GLU A 39 22.894 -7.527 7.667 1.00 0.36 H new ATOM 0 HA GLU A 39 20.805 -9.456 7.577 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.826 -9.746 7.659 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.704 -11.044 7.305 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.829 -9.429 5.424 1.00 0.55 H new ATOM 0 HG3 GLU A 39 23.363 -8.613 5.650 1.00 0.55 H new ATOM 614 N ALA A 40 22.321 -9.019 10.380 1.00 0.43 N ATOM 615 CA ALA A 40 22.354 -9.388 11.780 1.00 0.46 C ATOM 616 C ALA A 40 21.068 -8.950 12.466 1.00 0.41 C ATOM 617 O ALA A 40 20.481 -9.705 13.238 1.00 0.43 O ATOM 618 CB ALA A 40 23.560 -8.766 12.464 1.00 0.52 C ATOM 0 H ALA A 40 22.772 -8.129 10.170 1.00 0.43 H new ATOM 0 HA ALA A 40 22.438 -10.472 11.855 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.570 -9.053 13.515 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.473 -9.118 11.983 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.503 -7.680 12.385 1.00 0.52 H new ATOM 624 N ALA A 41 20.620 -7.739 12.141 1.00 0.37 N ATOM 625 CA ALA A 41 19.413 -7.172 12.735 1.00 0.34 C ATOM 626 C ALA A 41 18.175 -7.954 12.341 1.00 0.31 C ATOM 627 O ALA A 41 17.322 -8.239 13.180 1.00 0.34 O ATOM 628 CB ALA A 41 19.254 -5.714 12.333 1.00 0.31 C ATOM 0 H ALA A 41 21.079 -7.129 11.465 1.00 0.37 H new ATOM 0 HA ALA A 41 19.523 -7.236 13.818 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.349 -5.309 12.785 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.118 -5.145 12.677 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.181 -5.642 11.248 1.00 0.31 H new ATOM 634 N MET A 42 18.092 -8.315 11.065 1.00 0.28 N ATOM 635 CA MET A 42 16.948 -9.063 10.544 1.00 0.29 C ATOM 636 C MET A 42 16.877 -10.467 11.138 1.00 0.35 C ATOM 637 O MET A 42 15.879 -11.166 10.976 1.00 0.39 O ATOM 638 CB MET A 42 17.012 -9.140 9.013 1.00 0.27 C ATOM 639 CG MET A 42 18.133 -10.018 8.492 1.00 0.33 C ATOM 640 SD MET A 42 18.016 -10.335 6.722 1.00 0.35 S ATOM 641 CE MET A 42 18.650 -8.798 6.058 1.00 0.33 C ATOM 0 H MET A 42 18.805 -8.102 10.368 1.00 0.28 H new ATOM 0 HA MET A 42 16.044 -8.529 10.838 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.062 -9.519 8.637 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.135 -8.134 8.612 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.090 -9.542 8.708 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.122 -10.968 9.027 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.255 -9.005 5.175 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.818 -8.150 5.784 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.263 -8.302 6.810 1.00 0.33 H new ATOM 651 N ALA A 43 17.922 -10.868 11.840 1.00 0.40 N ATOM 652 CA ALA A 43 17.967 -12.185 12.452 1.00 0.47 C ATOM 653 C ALA A 43 17.593 -12.102 13.923 1.00 0.48 C ATOM 654 O ALA A 43 17.358 -13.114 14.578 1.00 0.53 O ATOM 655 CB ALA A 43 19.352 -12.784 12.292 1.00 0.52 C ATOM 0 H ALA A 43 18.753 -10.299 12.001 1.00 0.40 H new ATOM 0 HA ALA A 43 17.244 -12.829 11.951 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.377 -13.771 12.754 1.00 0.52 H new ATOM 0 HB2 ALA A 43 19.590 -12.873 11.232 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.086 -12.139 12.775 1.00 0.52 H new ATOM 661 N GLU A 44 17.539 -10.884 14.432 1.00 0.46 N ATOM 662 CA GLU A 44 17.200 -10.648 15.826 1.00 0.46 C ATOM 663 C GLU A 44 15.692 -10.603 16.014 1.00 0.45 C ATOM 664 O GLU A 44 15.115 -11.404 16.751 1.00 0.48 O ATOM 665 CB GLU A 44 17.814 -9.336 16.294 1.00 0.45 C ATOM 666 CG GLU A 44 19.307 -9.246 16.055 1.00 0.51 C ATOM 667 CD GLU A 44 20.100 -10.200 16.928 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.301 -11.365 16.522 1.00 1.21 O ATOM 669 OE2 GLU A 44 20.526 -9.789 18.026 1.00 1.36 O ATOM 0 H GLU A 44 17.727 -10.036 13.897 1.00 0.46 H new ATOM 0 HA GLU A 44 17.600 -11.469 16.420 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.322 -8.510 15.780 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.617 -9.212 17.359 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.516 -9.460 15.007 1.00 0.51 H new ATOM 0 HG3 GLU A 44 19.640 -8.225 16.244 1.00 0.51 H new ATOM 676 N LEU A 45 15.063 -9.667 15.320 1.00 0.42 N ATOM 677 CA LEU A 45 13.615 -9.489 15.399 1.00 0.44 C ATOM 678 C LEU A 45 12.866 -10.461 14.483 1.00 0.48 C ATOM 679 O LEU A 45 11.638 -10.433 14.406 1.00 0.52 O ATOM 680 CB LEU A 45 13.214 -8.019 15.124 1.00 0.49 C ATOM 681 CG LEU A 45 13.413 -7.433 13.709 1.00 0.82 C ATOM 682 CD1 LEU A 45 13.910 -6.004 13.814 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.372 -8.229 12.848 1.00 1.88 C ATOM 0 H LEU A 45 15.532 -9.014 14.692 1.00 0.42 H new ATOM 0 HA LEU A 45 13.316 -9.726 16.420 1.00 0.44 H new ATOM 0 HB2 LEU A 45 12.159 -7.915 15.376 1.00 0.49 H new ATOM 0 HB3 LEU A 45 13.772 -7.392 15.820 1.00 0.49 H new ATOM 0 HG LEU A 45 12.439 -7.477 13.221 1.00 0.82 H new ATOM 0 HD11 LEU A 45 14.050 -5.593 12.814 1.00 0.39 H new ATOM 0 HD12 LEU A 45 13.179 -5.403 14.355 1.00 0.39 H new ATOM 0 HD13 LEU A 45 14.860 -5.987 14.349 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.461 -7.757 11.870 1.00 1.88 H new ATOM 0 HD22 LEU A 45 15.351 -8.259 13.326 1.00 1.88 H new ATOM 0 HD23 LEU A 45 13.995 -9.245 12.728 1.00 1.88 H new ATOM 695 N ASN A 46 13.628 -11.317 13.794 1.00 0.49 N ATOM 696 CA ASN A 46 13.077 -12.325 12.888 1.00 0.54 C ATOM 697 C ASN A 46 12.345 -11.673 11.719 1.00 0.51 C ATOM 698 O ASN A 46 11.120 -11.713 11.627 1.00 0.60 O ATOM 699 CB ASN A 46 12.151 -13.289 13.638 1.00 0.62 C ATOM 700 CG ASN A 46 12.166 -14.686 13.048 1.00 1.22 C ATOM 701 OD1 ASN A 46 12.385 -14.872 11.849 1.00 2.01 O ATOM 702 ND2 ASN A 46 11.939 -15.680 13.889 1.00 1.90 N ATOM 0 H ASN A 46 14.646 -11.329 13.850 1.00 0.49 H new ATOM 0 HA ASN A 46 13.911 -12.900 12.484 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.452 -13.337 14.684 1.00 0.62 H new ATOM 0 HB3 ASN A 46 11.133 -12.900 13.617 1.00 0.62 H new ATOM 0 HD21 ASN A 46 11.941 -16.643 13.553 1.00 1.90 H new ATOM 0 HD22 ASN A 46 11.762 -15.484 14.874 1.00 1.90 H new ATOM 709 N TYR A 47 13.111 -11.060 10.833 1.00 0.42 N ATOM 710 CA TYR A 47 12.559 -10.398 9.668 1.00 0.39 C ATOM 711 C TYR A 47 12.165 -11.415 8.610 1.00 0.49 C ATOM 712 O TYR A 47 12.944 -12.305 8.263 1.00 0.58 O ATOM 713 CB TYR A 47 13.592 -9.419 9.120 1.00 0.27 C ATOM 714 CG TYR A 47 13.290 -8.876 7.743 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.032 -8.386 7.414 1.00 1.07 C ATOM 716 CD2 TYR A 47 14.283 -8.841 6.776 1.00 1.16 C ATOM 717 CE1 TYR A 47 11.773 -7.880 6.157 1.00 1.08 C ATOM 718 CE2 TYR A 47 14.035 -8.331 5.518 1.00 1.16 C ATOM 719 CZ TYR A 47 12.779 -7.852 5.214 1.00 0.23 C ATOM 720 OH TYR A 47 12.527 -7.336 3.968 1.00 0.24 O ATOM 0 H TYR A 47 14.127 -11.008 10.902 1.00 0.42 H new ATOM 0 HA TYR A 47 11.659 -9.853 9.952 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.680 -8.582 9.813 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.562 -9.915 9.094 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.245 -8.402 8.154 1.00 1.07 H new ATOM 0 HD2 TYR A 47 15.267 -9.219 7.011 1.00 1.16 H new ATOM 0 HE1 TYR A 47 10.789 -7.508 5.913 1.00 1.08 H new ATOM 0 HE2 TYR A 47 14.820 -8.307 4.777 1.00 1.16 H new ATOM 0 HH TYR A 47 13.339 -7.388 3.422 1.00 0.24 H new ATOM 730 N ILE A 48 10.950 -11.272 8.100 1.00 0.56 N ATOM 731 CA ILE A 48 10.430 -12.165 7.082 1.00 0.66 C ATOM 732 C ILE A 48 10.301 -11.448 5.739 1.00 0.52 C ATOM 733 O ILE A 48 9.416 -10.612 5.557 1.00 0.55 O ATOM 734 CB ILE A 48 9.044 -12.728 7.472 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.084 -13.360 8.861 1.00 1.16 C ATOM 736 CG2 ILE A 48 8.575 -13.746 6.446 1.00 0.98 C ATOM 737 CD1 ILE A 48 8.462 -12.496 9.937 1.00 1.01 C ATOM 0 H ILE A 48 10.302 -10.536 8.381 1.00 0.56 H new ATOM 0 HA ILE A 48 11.140 -12.987 6.996 1.00 0.66 H new ATOM 0 HB ILE A 48 8.337 -11.899 7.492 1.00 0.91 H new ATOM 0 HG12 ILE A 48 8.565 -14.318 8.830 1.00 1.16 H new ATOM 0 HG13 ILE A 48 10.120 -13.568 9.127 1.00 1.16 H new ATOM 0 HG21 ILE A 48 7.598 -14.132 6.737 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.501 -13.270 5.468 1.00 0.98 H new ATOM 0 HG23 ILE A 48 9.289 -14.568 6.396 1.00 0.98 H new ATOM 0 HD11 ILE A 48 8.526 -13.008 10.897 1.00 1.01 H new ATOM 0 HD12 ILE A 48 8.996 -11.547 9.996 1.00 1.01 H new ATOM 0 HD13 ILE A 48 7.416 -12.309 9.694 1.00 1.01 H new ATOM 749 N PRO A 49 11.197 -11.753 4.786 1.00 0.44 N ATOM 750 CA PRO A 49 11.152 -11.159 3.449 1.00 0.35 C ATOM 751 C PRO A 49 9.870 -11.569 2.731 1.00 0.39 C ATOM 752 O PRO A 49 9.633 -12.758 2.486 1.00 0.49 O ATOM 753 CB PRO A 49 12.383 -11.736 2.746 1.00 0.40 C ATOM 754 CG PRO A 49 13.253 -12.253 3.844 1.00 0.51 C ATOM 755 CD PRO A 49 12.324 -12.683 4.938 1.00 0.55 C ATOM 0 HA PRO A 49 11.158 -10.069 3.466 1.00 0.35 H new ATOM 0 HB2 PRO A 49 12.105 -12.532 2.055 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.897 -10.973 2.162 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.862 -13.088 3.499 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.939 -11.482 4.195 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.012 -13.721 4.820 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.789 -12.600 5.920 1.00 0.55 H new ATOM 763 N ASN A 50 9.036 -10.589 2.420 1.00 0.40 N ATOM 764 CA ASN A 50 7.760 -10.846 1.764 1.00 0.45 C ATOM 765 C ASN A 50 7.910 -10.971 0.257 1.00 0.49 C ATOM 766 O ASN A 50 8.216 -9.999 -0.435 1.00 0.54 O ATOM 767 CB ASN A 50 6.762 -9.741 2.094 1.00 0.45 C ATOM 768 CG ASN A 50 6.385 -9.733 3.559 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.505 -10.475 3.991 1.00 0.50 O ATOM 770 ND2 ASN A 50 7.047 -8.885 4.328 1.00 0.46 N ATOM 0 H ASN A 50 9.219 -9.604 2.612 1.00 0.40 H new ATOM 0 HA ASN A 50 7.388 -11.798 2.142 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.189 -8.775 1.825 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.864 -9.872 1.490 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.835 -8.827 5.324 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.770 -8.288 3.925 1.00 0.46 H new ATOM 777 N ARG A 51 7.665 -12.171 -0.245 1.00 0.51 N ATOM 778 CA ARG A 51 7.760 -12.447 -1.674 1.00 0.57 C ATOM 779 C ARG A 51 6.581 -11.835 -2.424 1.00 0.56 C ATOM 780 O ARG A 51 6.705 -11.448 -3.583 1.00 0.59 O ATOM 781 CB ARG A 51 7.787 -13.950 -1.917 1.00 0.63 C ATOM 782 CG ARG A 51 8.945 -14.662 -1.246 1.00 1.42 C ATOM 783 CD ARG A 51 8.692 -16.155 -1.166 1.00 2.25 C ATOM 784 NE ARG A 51 7.602 -16.466 -0.246 1.00 3.08 N ATOM 785 CZ ARG A 51 6.596 -17.297 -0.524 1.00 4.17 C ATOM 786 NH1 ARG A 51 6.525 -17.901 -1.701 1.00 4.66 N ATOM 787 NH2 ARG A 51 5.656 -17.519 0.385 1.00 5.04 N ATOM 0 H ARG A 51 7.397 -12.977 0.320 1.00 0.51 H new ATOM 0 HA ARG A 51 8.683 -12.001 -2.044 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.852 -14.382 -1.560 1.00 0.63 H new ATOM 0 HB3 ARG A 51 7.834 -14.133 -2.990 1.00 0.63 H new ATOM 0 HG2 ARG A 51 9.863 -14.474 -1.802 1.00 1.42 H new ATOM 0 HG3 ARG A 51 9.092 -14.260 -0.243 1.00 1.42 H new ATOM 0 HD2 ARG A 51 8.452 -16.538 -2.158 1.00 2.25 H new ATOM 0 HD3 ARG A 51 9.600 -16.662 -0.840 1.00 2.25 H new ATOM 0 HE ARG A 51 7.610 -16.018 0.670 1.00 3.08 H new ATOM 0 HH11 ARG A 51 7.244 -17.733 -2.405 1.00 4.66 H new ATOM 0 HH12 ARG A 51 5.752 -18.535 -1.903 1.00 4.66 H new ATOM 0 HH21 ARG A 51 5.704 -17.055 1.292 1.00 5.04 H new ATOM 0 HH22 ARG A 51 4.885 -18.154 0.177 1.00 5.04 H new ATOM 801 N CYS A 52 5.443 -11.741 -1.749 1.00 0.55 N ATOM 802 CA CYS A 52 4.244 -11.187 -2.349 1.00 0.55 C ATOM 803 C CYS A 52 4.405 -9.692 -2.562 1.00 0.52 C ATOM 804 O CYS A 52 4.010 -9.152 -3.595 1.00 0.57 O ATOM 805 CB CYS A 52 3.031 -11.486 -1.471 1.00 0.56 C ATOM 806 SG CYS A 52 1.833 -12.615 -2.245 1.00 0.83 S ATOM 0 H CYS A 52 5.328 -12.044 -0.782 1.00 0.55 H new ATOM 0 HA CYS A 52 4.086 -11.653 -3.321 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.371 -11.920 -0.531 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.530 -10.549 -1.227 1.00 0.56 H new ATOM 811 N ALA A 53 4.998 -9.028 -1.581 1.00 0.45 N ATOM 812 CA ALA A 53 5.248 -7.604 -1.677 1.00 0.43 C ATOM 813 C ALA A 53 6.274 -7.341 -2.764 1.00 0.43 C ATOM 814 O ALA A 53 6.212 -6.329 -3.461 1.00 0.44 O ATOM 815 CB ALA A 53 5.711 -7.059 -0.351 1.00 0.41 C ATOM 0 H ALA A 53 5.314 -9.456 -0.711 1.00 0.45 H new ATOM 0 HA ALA A 53 4.322 -7.093 -1.940 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.894 -5.988 -0.442 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.943 -7.233 0.402 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.632 -7.561 -0.053 1.00 0.41 H new ATOM 821 N GLN A 54 7.191 -8.290 -2.916 1.00 0.45 N ATOM 822 CA GLN A 54 8.241 -8.204 -3.919 1.00 0.48 C ATOM 823 C GLN A 54 7.639 -8.240 -5.319 1.00 0.51 C ATOM 824 O GLN A 54 8.062 -7.502 -6.208 1.00 0.55 O ATOM 825 CB GLN A 54 9.241 -9.348 -3.731 1.00 0.50 C ATOM 826 CG GLN A 54 10.402 -9.313 -4.708 1.00 0.74 C ATOM 827 CD GLN A 54 11.398 -10.427 -4.466 1.00 0.82 C ATOM 828 OE1 GLN A 54 11.041 -11.511 -4.004 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.658 -10.174 -4.779 1.00 1.07 N ATOM 0 H GLN A 54 7.226 -9.137 -2.349 1.00 0.45 H new ATOM 0 HA GLN A 54 8.769 -7.258 -3.798 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.633 -9.313 -2.714 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.717 -10.298 -3.838 1.00 0.50 H new ATOM 0 HG2 GLN A 54 10.019 -9.388 -5.726 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.910 -8.352 -4.629 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.916 -9.264 -5.160 1.00 1.07 H new ATOM 0 HE22 GLN A 54 13.372 -10.889 -4.640 1.00 1.07 H new ATOM 838 N GLN A 55 6.631 -9.089 -5.503 1.00 0.52 N ATOM 839 CA GLN A 55 5.958 -9.207 -6.795 1.00 0.57 C ATOM 840 C GLN A 55 5.210 -7.920 -7.123 1.00 0.58 C ATOM 841 O GLN A 55 5.288 -7.407 -8.239 1.00 0.74 O ATOM 842 CB GLN A 55 4.976 -10.379 -6.793 1.00 0.62 C ATOM 843 CG GLN A 55 5.615 -11.723 -6.487 1.00 0.65 C ATOM 844 CD GLN A 55 4.609 -12.857 -6.503 1.00 1.22 C ATOM 845 OE1 GLN A 55 3.424 -12.658 -6.230 1.00 1.83 O ATOM 846 NE2 GLN A 55 5.071 -14.056 -6.817 1.00 2.01 N ATOM 0 H GLN A 55 6.263 -9.704 -4.777 1.00 0.52 H new ATOM 0 HA GLN A 55 6.720 -9.387 -7.554 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.196 -10.184 -6.057 1.00 0.62 H new ATOM 0 HB3 GLN A 55 4.490 -10.433 -7.767 1.00 0.62 H new ATOM 0 HG2 GLN A 55 6.398 -11.925 -7.218 1.00 0.65 H new ATOM 0 HG3 GLN A 55 6.095 -11.680 -5.509 1.00 0.65 H new ATOM 0 HE21 GLN A 55 6.059 -14.180 -7.037 1.00 2.01 H new ATOM 0 HE22 GLN A 55 4.439 -14.856 -6.839 1.00 2.01 H new ATOM 855 N LEU A 56 4.494 -7.405 -6.128 1.00 0.51 N ATOM 856 CA LEU A 56 3.720 -6.177 -6.277 1.00 0.50 C ATOM 857 C LEU A 56 4.627 -4.978 -6.541 1.00 0.47 C ATOM 858 O LEU A 56 4.418 -4.225 -7.490 1.00 0.48 O ATOM 859 CB LEU A 56 2.905 -5.923 -5.011 1.00 0.49 C ATOM 860 CG LEU A 56 1.752 -4.940 -5.178 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.618 -5.580 -5.960 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.255 -4.462 -3.830 1.00 0.48 C ATOM 0 H LEU A 56 4.434 -7.825 -5.200 1.00 0.51 H new ATOM 0 HA LEU A 56 3.054 -6.301 -7.131 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.505 -6.873 -4.657 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.573 -5.549 -4.235 1.00 0.49 H new ATOM 0 HG LEU A 56 2.118 -4.078 -5.735 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.197 -4.865 -6.070 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.977 -5.875 -6.946 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.259 -6.460 -5.426 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.432 -3.761 -3.973 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.908 -5.315 -3.247 1.00 0.48 H new ATOM 0 HD23 LEU A 56 2.066 -3.965 -3.298 1.00 0.48 H new ATOM 874 N ALA A 57 5.641 -4.828 -5.701 1.00 0.45 N ATOM 875 CA ALA A 57 6.583 -3.722 -5.806 1.00 0.44 C ATOM 876 C ALA A 57 7.431 -3.808 -7.071 1.00 0.46 C ATOM 877 O ALA A 57 7.907 -2.792 -7.580 1.00 0.49 O ATOM 878 CB ALA A 57 7.481 -3.700 -4.580 1.00 0.44 C ATOM 0 H ALA A 57 5.834 -5.467 -4.930 1.00 0.45 H new ATOM 0 HA ALA A 57 6.007 -2.799 -5.863 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.185 -2.872 -4.660 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.872 -3.573 -3.685 1.00 0.44 H new ATOM 0 HB3 ALA A 57 8.031 -4.639 -4.515 1.00 0.44 H new ATOM 884 N GLY A 58 7.620 -5.024 -7.569 1.00 0.53 N ATOM 885 CA GLY A 58 8.412 -5.227 -8.768 1.00 0.61 C ATOM 886 C GLY A 58 7.719 -4.713 -10.016 1.00 0.94 C ATOM 887 O GLY A 58 8.339 -4.592 -11.071 1.00 1.14 O ATOM 0 H GLY A 58 7.237 -5.877 -7.162 1.00 0.53 H new ATOM 0 HA2 GLY A 58 9.372 -4.723 -8.655 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.622 -6.290 -8.885 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.325 -13.265 -8.434 1.00 0.78 N ATOM 1018 CA VAL B 4 -10.300 -12.189 -8.427 1.00 0.66 C ATOM 1019 C VAL B 4 -9.979 -11.210 -7.309 1.00 0.59 C ATOM 1020 O VAL B 4 -9.759 -11.609 -6.173 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.736 -12.719 -8.240 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.751 -11.585 -8.269 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -12.059 -13.747 -9.313 1.00 0.73 C ATOM 0 HA VAL B 4 -10.245 -11.689 -9.394 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.796 -13.196 -7.262 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.754 -11.991 -8.135 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.534 -10.881 -7.465 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.694 -11.070 -9.228 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -13.075 -14.114 -9.171 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.974 -13.285 -10.297 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -11.359 -14.580 -9.242 1.00 0.73 H new ATOM 1033 N THR B 5 -9.938 -9.937 -7.643 1.00 0.50 N ATOM 1034 CA THR B 5 -9.642 -8.907 -6.672 1.00 0.45 C ATOM 1035 C THR B 5 -10.937 -8.361 -6.081 1.00 0.40 C ATOM 1036 O THR B 5 -12.029 -8.753 -6.505 1.00 0.39 O ATOM 1037 CB THR B 5 -8.852 -7.769 -7.336 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.716 -7.022 -8.199 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.688 -8.326 -8.146 1.00 0.48 C ATOM 0 H THR B 5 -10.107 -9.590 -8.587 1.00 0.50 H new ATOM 0 HA THR B 5 -9.039 -9.339 -5.873 1.00 0.45 H new ATOM 0 HB THR B 5 -8.458 -7.119 -6.555 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.723 -7.432 -9.089 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.141 -7.505 -8.609 1.00 0.48 H new ATOM 0 HG22 THR B 5 -7.020 -8.882 -7.488 1.00 0.48 H new ATOM 0 HG23 THR B 5 -8.069 -8.990 -8.922 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.831 -7.449 -5.118 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.024 -6.870 -4.519 1.00 0.36 C ATOM 1049 C LEU B 6 -12.540 -5.792 -5.463 1.00 0.32 C ATOM 1050 O LEU B 6 -13.651 -5.280 -5.332 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.686 -6.342 -3.120 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.568 -5.249 -2.536 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.736 -5.473 -1.044 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.945 -3.894 -2.797 1.00 0.50 C ATOM 0 H LEU B 6 -9.948 -7.102 -4.743 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.815 -7.608 -4.385 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.702 -7.187 -2.432 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.662 -5.968 -3.143 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.549 -5.281 -3.011 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.368 -4.689 -0.627 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.201 -6.444 -0.872 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.760 -5.447 -0.560 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.580 -3.114 -2.377 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.961 -3.850 -2.331 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.845 -3.740 -3.871 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.697 -5.496 -6.448 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.993 -4.525 -7.477 1.00 0.32 C ATOM 1068 C TYR B 7 -12.926 -5.146 -8.522 1.00 0.32 C ATOM 1069 O TYR B 7 -13.860 -4.504 -9.008 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.684 -4.085 -8.130 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.998 -2.944 -7.421 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.240 -3.130 -6.258 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -10.119 -1.658 -7.924 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.640 -2.057 -5.642 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.514 -0.588 -7.307 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.776 -0.792 -6.168 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.170 0.276 -5.549 1.00 0.49 O ATOM 0 H TYR B 7 -10.781 -5.933 -6.548 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.490 -3.659 -7.041 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -10.005 -4.937 -8.168 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.885 -3.791 -9.160 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.126 -4.121 -5.843 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.700 -1.493 -8.819 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.060 -2.207 -4.743 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.619 0.406 -7.716 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.729 0.583 -4.805 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.666 -6.412 -8.852 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.480 -7.142 -9.825 1.00 0.35 C ATOM 1089 C ASP B 8 -14.885 -7.347 -9.279 1.00 0.31 C ATOM 1090 O ASP B 8 -15.872 -7.283 -10.017 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.858 -8.508 -10.142 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.523 -8.404 -10.849 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.514 -8.184 -12.078 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.476 -8.555 -10.182 1.00 1.31 O ATOM 0 H ASP B 8 -11.897 -6.954 -8.459 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.523 -6.552 -10.741 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.728 -9.065 -9.214 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.548 -9.079 -10.763 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.955 -7.593 -7.974 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.220 -7.811 -7.280 1.00 0.25 C ATOM 1101 C VAL B 9 -17.120 -6.585 -7.408 1.00 0.25 C ATOM 1102 O VAL B 9 -18.340 -6.698 -7.554 1.00 0.28 O ATOM 1103 CB VAL B 9 -15.969 -8.128 -5.787 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.272 -8.284 -5.024 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.128 -9.384 -5.650 1.00 0.28 C ATOM 0 H VAL B 9 -14.136 -7.647 -7.368 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.720 -8.662 -7.742 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.428 -7.286 -5.355 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.057 -8.506 -3.979 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.844 -7.359 -5.088 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.852 -9.100 -5.457 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -14.959 -9.595 -4.594 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.650 -10.223 -6.109 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.170 -9.236 -6.148 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.495 -5.422 -7.372 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.203 -4.159 -7.482 1.00 0.28 C ATOM 1117 C ALA B 10 -17.809 -3.971 -8.867 1.00 0.33 C ATOM 1118 O ALA B 10 -19.016 -3.757 -9.002 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.259 -3.017 -7.171 1.00 0.31 C ATOM 0 H ALA B 10 -15.485 -5.326 -7.266 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.021 -4.168 -6.762 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.793 -2.070 -7.254 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.874 -3.129 -6.157 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.429 -3.029 -7.877 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.964 -4.072 -9.888 1.00 0.36 N ATOM 1126 CA GLU B 11 -17.387 -3.898 -11.276 1.00 0.44 C ATOM 1127 C GLU B 11 -18.497 -4.877 -11.653 1.00 0.47 C ATOM 1128 O GLU B 11 -19.405 -4.530 -12.407 1.00 0.56 O ATOM 1129 CB GLU B 11 -16.195 -4.079 -12.212 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.069 -3.096 -11.943 1.00 1.27 C ATOM 1131 CD GLU B 11 -13.946 -3.207 -12.950 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.162 -4.174 -12.864 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -13.841 -2.327 -13.832 1.00 2.34 O ATOM 0 H GLU B 11 -15.971 -4.276 -9.779 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.782 -2.887 -11.379 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -15.813 -5.095 -12.112 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -16.530 -3.965 -13.243 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -15.466 -2.081 -11.958 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -14.673 -3.268 -10.942 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.417 -6.093 -11.117 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.409 -7.126 -11.393 1.00 0.49 C ATOM 1142 C TYR B 12 -20.760 -6.762 -10.789 1.00 0.49 C ATOM 1143 O TYR B 12 -21.795 -6.892 -11.439 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.940 -8.463 -10.825 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.825 -9.627 -11.213 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.793 -10.144 -12.500 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -20.688 -10.210 -10.292 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -20.593 -11.211 -12.861 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -21.493 -11.276 -10.646 1.00 1.18 C ATOM 1150 CZ TYR B 12 -21.441 -11.775 -11.931 1.00 0.81 C ATOM 1151 OH TYR B 12 -22.235 -12.844 -12.284 1.00 0.94 O ATOM 0 H TYR B 12 -17.671 -6.387 -10.486 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.523 -7.206 -12.474 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.924 -8.659 -11.169 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.901 -8.393 -9.738 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -19.131 -9.705 -13.232 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.730 -9.824 -9.284 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -20.554 -11.602 -13.867 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -22.160 -11.717 -9.920 1.00 1.18 H new ATOM 0 HH TYR B 12 -22.772 -13.122 -11.512 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.744 -6.298 -9.547 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.971 -5.934 -8.858 1.00 0.48 C ATOM 1163 C ALA B 13 -22.526 -4.599 -9.358 1.00 0.52 C ATOM 1164 O ALA B 13 -23.701 -4.288 -9.169 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.729 -5.894 -7.358 1.00 0.43 C ATOM 0 H ALA B 13 -19.895 -6.165 -8.998 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.721 -6.694 -9.076 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.652 -5.621 -6.848 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.402 -6.876 -7.016 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.958 -5.157 -7.133 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.681 -3.819 -10.014 1.00 0.48 N ATOM 1172 CA GLY B 14 -22.100 -2.527 -10.523 1.00 0.55 C ATOM 1173 C GLY B 14 -21.974 -1.429 -9.483 1.00 0.52 C ATOM 1174 O GLY B 14 -22.529 -0.343 -9.643 1.00 0.59 O ATOM 0 H GLY B 14 -20.708 -4.058 -10.204 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -21.498 -2.270 -11.394 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -23.135 -2.590 -10.858 1.00 0.55 H new ATOM 1178 N VAL B 15 -21.249 -1.723 -8.415 1.00 0.47 N ATOM 1179 CA VAL B 15 -21.032 -0.765 -7.344 1.00 0.46 C ATOM 1180 C VAL B 15 -19.577 -0.329 -7.335 1.00 0.43 C ATOM 1181 O VAL B 15 -18.773 -0.827 -8.122 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.373 -1.368 -5.965 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.849 -1.695 -5.874 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.536 -2.613 -5.691 1.00 0.36 C ATOM 0 H VAL B 15 -20.798 -2.626 -8.267 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.688 0.087 -7.525 1.00 0.46 H new ATOM 0 HB VAL B 15 -21.135 -0.623 -5.206 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -23.068 -2.119 -4.894 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.433 -0.785 -6.014 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -23.110 -2.417 -6.648 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.796 -3.018 -4.713 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.735 -3.361 -6.458 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.478 -2.351 -5.706 1.00 0.36 H new ATOM 1194 N SER B 16 -19.236 0.604 -6.462 1.00 0.45 N ATOM 1195 CA SER B 16 -17.862 1.047 -6.362 1.00 0.46 C ATOM 1196 C SER B 16 -17.075 0.008 -5.571 1.00 0.41 C ATOM 1197 O SER B 16 -17.656 -0.758 -4.798 1.00 0.39 O ATOM 1198 CB SER B 16 -17.783 2.422 -5.689 1.00 0.50 C ATOM 1199 OG SER B 16 -18.133 2.344 -4.316 1.00 0.64 O ATOM 0 H SER B 16 -19.884 1.062 -5.822 1.00 0.45 H new ATOM 0 HA SER B 16 -17.434 1.149 -7.359 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.773 2.820 -5.787 1.00 0.50 H new ATOM 0 HB3 SER B 16 -18.450 3.117 -6.198 1.00 0.50 H new ATOM 0 HG SER B 16 -18.946 1.807 -4.216 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.765 -0.026 -5.758 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.929 -0.985 -5.051 1.00 0.41 C ATOM 1207 C TYR B 17 -14.895 -0.645 -3.562 1.00 0.41 C ATOM 1208 O TYR B 17 -14.512 -1.463 -2.723 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.526 -1.021 -5.674 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.453 -0.350 -4.858 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.314 1.029 -4.853 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.574 -1.105 -4.100 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -11.324 1.634 -4.112 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.577 -0.518 -3.356 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.459 0.861 -3.368 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.476 1.472 -2.646 1.00 1.42 O ATOM 0 H TYR B 17 -15.259 0.595 -6.389 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.351 -1.985 -5.148 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -13.243 -2.061 -5.835 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.567 -0.546 -6.654 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.990 1.636 -5.437 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.674 -2.180 -4.093 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -11.226 2.710 -4.114 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -9.898 -1.123 -2.773 1.00 1.49 H new ATOM 0 HH TYR B 17 -8.948 0.795 -2.174 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.318 0.578 -3.249 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.379 1.042 -1.874 1.00 0.44 C ATOM 1228 C GLN B 18 -16.616 0.467 -1.199 1.00 0.38 C ATOM 1229 O GLN B 18 -16.652 0.294 0.021 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.420 2.558 -1.828 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.597 3.149 -0.703 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.764 4.318 -1.168 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.543 5.264 -0.425 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.293 4.265 -2.405 1.00 0.87 N ATOM 0 H GLN B 18 -15.624 1.266 -3.937 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.487 0.705 -1.346 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.059 2.953 -2.778 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.455 2.883 -1.720 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -15.259 3.472 0.100 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.944 2.381 -0.288 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.499 3.459 -2.995 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -12.724 5.030 -2.767 1.00 0.87 H new ATOM 1243 N THR B 19 -17.638 0.188 -2.008 1.00 0.39 N ATOM 1244 CA THR B 19 -18.873 -0.405 -1.514 1.00 0.38 C ATOM 1245 C THR B 19 -18.559 -1.781 -0.942 1.00 0.34 C ATOM 1246 O THR B 19 -19.201 -2.250 -0.002 1.00 0.36 O ATOM 1247 CB THR B 19 -19.921 -0.528 -2.640 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.016 0.715 -3.348 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.288 -0.899 -2.090 1.00 0.45 C ATOM 0 H THR B 19 -17.631 0.366 -3.012 1.00 0.39 H new ATOM 0 HA THR B 19 -19.292 0.238 -0.740 1.00 0.38 H new ATOM 0 HB THR B 19 -19.597 -1.321 -3.315 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.955 0.900 -3.560 1.00 0.54 H new ATOM 0 HG21 THR B 19 -22.001 -0.977 -2.910 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.224 -1.856 -1.572 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.620 -0.130 -1.392 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.542 -2.413 -1.522 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.087 -3.714 -1.065 1.00 0.33 C ATOM 1259 C VAL B 20 -16.408 -3.557 0.301 1.00 0.36 C ATOM 1260 O VAL B 20 -16.729 -4.279 1.243 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.121 -4.371 -2.075 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -15.988 -5.858 -1.800 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.590 -4.144 -3.509 1.00 0.44 C ATOM 0 H VAL B 20 -17.018 -2.039 -2.313 1.00 0.33 H new ATOM 0 HA VAL B 20 -17.952 -4.371 -0.976 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.144 -3.903 -1.954 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.303 -6.302 -2.523 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.600 -6.008 -0.793 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.965 -6.333 -1.887 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -15.892 -4.617 -4.199 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.581 -4.578 -3.641 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.633 -3.074 -3.713 1.00 0.44 H new ATOM 1273 N SER B 21 -15.460 -2.607 0.393 1.00 0.39 N ATOM 1274 CA SER B 21 -14.769 -2.291 1.640 1.00 0.45 C ATOM 1275 C SER B 21 -15.750 -2.116 2.805 1.00 0.45 C ATOM 1276 O SER B 21 -15.459 -2.509 3.935 1.00 0.52 O ATOM 1277 CB SER B 21 -13.977 -0.992 1.443 1.00 0.50 C ATOM 1278 OG SER B 21 -13.226 -0.656 2.594 1.00 1.29 O ATOM 0 H SER B 21 -15.157 -2.041 -0.400 1.00 0.39 H new ATOM 0 HA SER B 21 -14.105 -3.119 1.887 1.00 0.45 H new ATOM 0 HB2 SER B 21 -13.307 -1.100 0.590 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.664 -0.179 1.207 1.00 0.50 H new ATOM 0 HG SER B 21 -12.734 0.176 2.432 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.913 -1.537 2.512 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.937 -1.287 3.528 1.00 0.51 C ATOM 1286 C ARG B 22 -18.444 -2.590 4.140 1.00 0.54 C ATOM 1287 O ARG B 22 -18.591 -2.693 5.355 1.00 0.65 O ATOM 1288 CB ARG B 22 -19.111 -0.505 2.926 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.723 0.844 2.340 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.271 1.828 3.407 1.00 1.03 C ATOM 1291 NE ARG B 22 -17.995 3.146 2.840 1.00 1.46 N ATOM 1292 CZ ARG B 22 -17.586 4.193 3.554 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -17.413 4.087 4.862 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -17.359 5.356 2.958 1.00 2.66 N ATOM 0 H ARG B 22 -17.172 -1.230 1.574 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.478 -0.694 4.319 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.574 -1.109 2.145 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.865 -0.351 3.698 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -17.922 0.705 1.614 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.573 1.261 1.801 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.042 1.915 4.173 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -17.375 1.447 3.898 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.123 3.272 1.836 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -17.593 3.199 5.330 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -17.099 4.894 5.402 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.498 5.449 1.952 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -17.046 6.157 3.506 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.697 -3.579 3.294 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.195 -4.876 3.745 1.00 0.58 C ATOM 1310 C VAL B 23 -18.068 -5.735 4.321 1.00 0.62 C ATOM 1311 O VAL B 23 -18.262 -6.462 5.299 1.00 0.74 O ATOM 1312 CB VAL B 23 -19.870 -5.634 2.582 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.401 -6.980 3.048 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -20.992 -4.800 1.977 1.00 0.55 C ATOM 0 H VAL B 23 -18.565 -3.509 2.285 1.00 0.50 H new ATOM 0 HA VAL B 23 -19.928 -4.688 4.530 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.118 -5.812 1.813 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -20.872 -7.495 2.211 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.577 -7.584 3.429 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.135 -6.827 3.839 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.455 -5.352 1.159 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.740 -4.588 2.741 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.585 -3.863 1.598 1.00 0.55 H new ATOM 1324 N VAL B 24 -16.890 -5.624 3.718 1.00 0.59 N ATOM 1325 CA VAL B 24 -15.720 -6.389 4.139 1.00 0.69 C ATOM 1326 C VAL B 24 -15.239 -5.973 5.532 1.00 0.76 C ATOM 1327 O VAL B 24 -14.837 -6.815 6.342 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.569 -6.216 3.120 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.246 -6.692 3.695 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -14.883 -6.955 1.826 1.00 0.66 C ATOM 0 H VAL B 24 -16.718 -5.004 2.926 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.016 -7.437 4.182 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.476 -5.152 2.901 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.458 -6.557 2.954 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.008 -6.114 4.588 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.322 -7.748 3.956 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.062 -6.821 1.122 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.012 -8.017 2.036 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.800 -6.557 1.393 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.295 -4.678 5.811 1.00 0.72 N ATOM 1341 CA ASN B 25 -14.854 -4.156 7.097 1.00 0.79 C ATOM 1342 C ASN B 25 -15.909 -4.372 8.170 1.00 1.20 C ATOM 1343 O ASN B 25 -15.908 -5.372 8.882 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.551 -2.659 6.994 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.142 -2.377 6.525 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.198 -2.438 7.308 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -12.991 -2.049 5.251 1.00 1.07 N ATOM 0 H ASN B 25 -15.641 -3.970 5.164 1.00 0.72 H new ATOM 0 HA ASN B 25 -13.949 -4.697 7.374 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.258 -2.197 6.305 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -14.705 -2.194 7.968 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.063 -1.835 4.886 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.803 -2.010 4.635 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.156 1.866 5.870 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.318 2.641 4.658 1.00 0.93 C ATOM 1394 C HIS B 29 -23.605 1.721 3.477 1.00 0.85 C ATOM 1395 O HIS B 29 -23.226 2.010 2.342 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.106 3.503 4.329 1.00 1.01 C ATOM 1397 CG HIS B 29 -21.430 4.218 5.460 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -20.460 5.168 5.229 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -21.592 4.173 6.804 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.056 5.673 6.369 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -20.724 5.089 7.345 1.00 1.31 N ATOM 0 HA HIS B 29 -24.159 3.311 4.838 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -21.365 2.868 3.843 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -22.415 4.250 3.597 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -22.275 3.537 7.347 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.303 6.438 6.489 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -20.614 5.286 8.340 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.260 0.605 3.758 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.608 -0.355 2.727 1.00 0.78 C ATOM 1412 C VAL B 30 -26.054 -0.781 2.870 1.00 0.81 C ATOM 1413 O VAL B 30 -26.473 -1.256 3.927 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.717 -1.616 2.750 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -22.556 -1.472 1.783 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -23.211 -1.920 4.155 1.00 1.22 C ATOM 0 H VAL B 30 -24.562 0.343 4.697 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.448 0.152 1.775 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.332 -2.458 2.431 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -21.942 -2.372 1.816 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -22.939 -1.331 0.772 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -21.952 -0.610 2.065 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -22.588 -2.814 4.132 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.624 -1.078 4.520 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -24.059 -2.086 4.819 1.00 1.22 H new ATOM 1426 N SER B 31 -26.814 -0.597 1.811 1.00 0.82 N ATOM 1427 CA SER B 31 -28.213 -0.970 1.810 1.00 0.88 C ATOM 1428 C SER B 31 -28.339 -2.487 1.740 1.00 0.94 C ATOM 1429 O SER B 31 -27.441 -3.156 1.226 1.00 1.42 O ATOM 1430 CB SER B 31 -28.920 -0.306 0.634 1.00 0.90 C ATOM 1431 OG SER B 31 -27.981 0.352 -0.206 1.00 0.83 O ATOM 0 H SER B 31 -26.485 -0.189 0.936 1.00 0.82 H new ATOM 0 HA SER B 31 -28.686 -0.629 2.731 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.467 -1.055 0.061 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.653 0.412 1.001 1.00 0.90 H new ATOM 0 HG SER B 31 -28.451 0.771 -0.957 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.439 -3.023 2.255 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.663 -4.468 2.272 1.00 0.92 C ATOM 1439 C ALA B 32 -29.451 -5.091 0.893 1.00 0.86 C ATOM 1440 O ALA B 32 -28.785 -6.121 0.764 1.00 0.88 O ATOM 1441 CB ALA B 32 -31.061 -4.770 2.787 1.00 1.07 C ATOM 0 H ALA B 32 -30.195 -2.477 2.669 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.930 -4.914 2.944 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.220 -5.848 2.797 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.169 -4.378 3.798 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.798 -4.300 2.136 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.992 -4.446 -0.133 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.868 -4.929 -1.507 1.00 0.87 C ATOM 1449 C LYS B 33 -28.405 -4.947 -1.959 1.00 0.79 C ATOM 1450 O LYS B 33 -27.929 -5.929 -2.540 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.708 -4.044 -2.435 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.863 -4.580 -3.852 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.676 -3.625 -4.715 1.00 1.82 C ATOM 1454 CE LYS B 33 -31.832 -4.150 -6.130 1.00 2.55 C ATOM 1455 NZ LYS B 33 -32.598 -3.211 -6.993 1.00 3.30 N ATOM 0 H LYS B 33 -30.525 -3.581 -0.041 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.237 -5.954 -1.552 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.698 -3.919 -1.998 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -30.253 -3.055 -2.482 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -29.879 -4.729 -4.297 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -31.351 -5.554 -3.824 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -32.660 -3.479 -4.270 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.189 -2.650 -4.739 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -30.847 -4.319 -6.564 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -32.339 -5.114 -6.105 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -32.681 -3.609 -7.950 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -33.548 -3.069 -6.594 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -32.102 -2.298 -7.039 1.00 3.30 H new ATOM 1469 N THR B 34 -27.694 -3.865 -1.673 1.00 0.68 N ATOM 1470 CA THR B 34 -26.295 -3.740 -2.049 1.00 0.61 C ATOM 1471 C THR B 34 -25.418 -4.751 -1.311 1.00 0.57 C ATOM 1472 O THR B 34 -24.499 -5.324 -1.896 1.00 0.54 O ATOM 1473 CB THR B 34 -25.784 -2.318 -1.765 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.856 -1.383 -1.929 1.00 0.79 O ATOM 1475 CG2 THR B 34 -24.642 -1.962 -2.701 1.00 0.73 C ATOM 0 H THR B 34 -28.068 -3.056 -1.178 1.00 0.68 H new ATOM 0 HA THR B 34 -26.230 -3.945 -3.118 1.00 0.61 H new ATOM 0 HB THR B 34 -25.415 -2.276 -0.740 1.00 0.64 H new ATOM 0 HG1 THR B 34 -27.008 -0.908 -1.085 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.295 -0.952 -2.484 1.00 0.73 H new ATOM 0 HG22 THR B 34 -23.822 -2.666 -2.559 1.00 0.73 H new ATOM 0 HG23 THR B 34 -24.988 -2.012 -3.733 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.706 -4.961 -0.028 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.953 -5.911 0.788 1.00 0.61 C ATOM 1485 C ARG B 35 -24.926 -7.283 0.129 1.00 0.60 C ATOM 1486 O ARG B 35 -23.859 -7.852 -0.119 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.575 -6.040 2.179 1.00 0.69 C ATOM 1488 CG ARG B 35 -25.501 -4.774 3.013 1.00 0.89 C ATOM 1489 CD ARG B 35 -26.365 -4.890 4.263 1.00 1.00 C ATOM 1490 NE ARG B 35 -26.214 -3.742 5.157 1.00 1.71 N ATOM 1491 CZ ARG B 35 -25.795 -3.840 6.417 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -25.408 -5.009 6.904 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -25.736 -2.767 7.191 1.00 3.21 N ATOM 0 H ARG B 35 -26.458 -4.484 0.470 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.935 -5.533 0.880 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -26.620 -6.331 2.072 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -25.074 -6.845 2.716 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.467 -4.583 3.298 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -25.830 -3.923 2.417 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -27.411 -4.983 3.970 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -26.101 -5.801 4.800 1.00 1.00 H new ATOM 0 HE ARG B 35 -26.442 -2.816 4.795 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.430 -5.840 6.313 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -25.088 -5.078 7.870 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -26.013 -1.857 6.823 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -25.414 -2.851 8.155 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.111 -7.789 -0.174 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.254 -9.094 -0.803 1.00 0.67 C ATOM 1509 C GLU B 36 -25.564 -9.134 -2.156 1.00 0.62 C ATOM 1510 O GLU B 36 -24.900 -10.111 -2.492 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.727 -9.436 -0.988 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.482 -9.619 0.312 1.00 0.84 C ATOM 1513 CD GLU B 36 -29.927 -9.999 0.080 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.201 -11.200 -0.117 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -30.793 -9.098 0.081 1.00 2.09 O ATOM 0 H GLU B 36 -26.994 -7.312 0.007 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.784 -9.826 -0.146 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.204 -8.644 -1.566 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.807 -10.351 -1.575 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -27.995 -10.391 0.908 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.438 -8.696 0.890 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.712 -8.054 -2.911 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.133 -7.957 -4.245 1.00 0.56 C ATOM 1524 C LYS B 37 -23.617 -8.140 -4.215 1.00 0.48 C ATOM 1525 O LYS B 37 -23.060 -8.902 -5.007 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.492 -6.604 -4.857 1.00 0.58 C ATOM 1527 CG LYS B 37 -25.126 -6.472 -6.319 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.657 -5.179 -6.913 1.00 1.13 C ATOM 1529 CE LYS B 37 -27.175 -5.185 -6.998 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.676 -6.277 -7.877 1.00 1.66 N ATOM 0 H LYS B 37 -26.232 -7.226 -2.620 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.546 -8.758 -4.857 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.564 -6.439 -4.745 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.988 -5.818 -4.295 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -24.042 -6.505 -6.428 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -25.528 -7.320 -6.873 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.329 -4.336 -6.304 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -25.237 -5.035 -7.908 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.594 -5.302 -5.999 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.521 -4.224 -7.379 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.657 -6.075 -8.156 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -27.080 -6.339 -8.727 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.641 -7.180 -7.363 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.959 -7.457 -3.290 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.510 -7.544 -3.166 1.00 0.37 C ATOM 1546 C VAL B 38 -21.081 -8.909 -2.628 1.00 0.39 C ATOM 1547 O VAL B 38 -20.170 -9.538 -3.170 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.954 -6.432 -2.253 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.438 -6.507 -2.179 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.390 -5.062 -2.746 1.00 0.38 C ATOM 0 H VAL B 38 -23.404 -6.836 -2.614 1.00 0.43 H new ATOM 0 HA VAL B 38 -21.098 -7.413 -4.167 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.358 -6.583 -1.252 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.066 -5.714 -1.530 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.141 -7.475 -1.776 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -19.019 -6.385 -3.178 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.987 -4.293 -2.087 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -21.018 -4.904 -3.758 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.479 -5.005 -2.746 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.744 -9.364 -1.570 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.434 -10.655 -0.965 1.00 0.50 C ATOM 1562 C GLU B 39 -21.617 -11.786 -1.972 1.00 0.53 C ATOM 1563 O GLU B 39 -20.789 -12.693 -2.055 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.322 -10.895 0.259 1.00 0.59 C ATOM 1565 CG GLU B 39 -21.992 -9.989 1.430 1.00 0.63 C ATOM 1566 CD GLU B 39 -20.863 -10.529 2.285 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -19.689 -10.402 1.883 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -21.150 -11.081 3.372 1.00 1.76 O ATOM 0 H GLU B 39 -22.501 -8.857 -1.113 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.391 -10.640 -0.650 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.364 -10.747 -0.023 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.222 -11.934 0.573 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.719 -9.002 1.056 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.881 -9.861 2.047 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.694 -11.719 -2.752 1.00 0.55 N ATOM 1576 CA ALA B 40 -22.975 -12.740 -3.752 1.00 0.61 C ATOM 1577 C ALA B 40 -21.951 -12.695 -4.877 1.00 0.53 C ATOM 1578 O ALA B 40 -21.591 -13.731 -5.439 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.381 -12.580 -4.307 1.00 0.70 C ATOM 0 H ALA B 40 -23.384 -10.969 -2.709 1.00 0.55 H new ATOM 0 HA ALA B 40 -22.906 -13.713 -3.266 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.568 -13.353 -5.052 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.105 -12.673 -3.497 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.480 -11.598 -4.770 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.478 -11.495 -5.203 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.484 -11.332 -6.257 1.00 0.43 C ATOM 1587 C ALA B 41 -19.201 -12.075 -5.899 1.00 0.38 C ATOM 1588 O ALA B 41 -18.513 -12.611 -6.771 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.197 -9.859 -6.505 1.00 0.42 C ATOM 0 H ALA B 41 -21.766 -10.626 -4.754 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.886 -11.759 -7.176 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.453 -9.761 -7.295 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.115 -9.355 -6.807 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.817 -9.403 -5.591 1.00 0.42 H new ATOM 1595 N MET B 42 -18.899 -12.124 -4.607 1.00 0.38 N ATOM 1596 CA MET B 42 -17.710 -12.821 -4.123 1.00 0.40 C ATOM 1597 C MET B 42 -17.847 -14.326 -4.344 1.00 0.45 C ATOM 1598 O MET B 42 -16.854 -15.053 -4.358 1.00 0.52 O ATOM 1599 CB MET B 42 -17.485 -12.542 -2.638 1.00 0.44 C ATOM 1600 CG MET B 42 -17.221 -11.083 -2.321 1.00 0.41 C ATOM 1601 SD MET B 42 -16.749 -10.829 -0.602 1.00 0.51 S ATOM 1602 CE MET B 42 -16.966 -9.058 -0.465 1.00 0.46 C ATOM 0 H MET B 42 -19.460 -11.690 -3.874 1.00 0.38 H new ATOM 0 HA MET B 42 -16.852 -12.452 -4.685 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.361 -12.873 -2.079 1.00 0.44 H new ATOM 0 HB3 MET B 42 -16.641 -13.138 -2.290 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.430 -10.710 -2.971 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.115 -10.499 -2.540 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.052 -8.608 -0.076 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.186 -8.641 -1.448 1.00 0.46 H new ATOM 0 HE3 MET B 42 -17.792 -8.844 0.213 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.081 -14.780 -4.528 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.353 -16.193 -4.748 1.00 0.53 C ATOM 1614 C ALA B 43 -19.433 -16.503 -6.239 1.00 0.55 C ATOM 1615 O ALA B 43 -19.032 -17.580 -6.681 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.641 -16.602 -4.045 1.00 0.61 C ATOM 0 H ALA B 43 -19.911 -14.187 -4.529 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.530 -16.770 -4.326 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.830 -17.661 -4.219 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.544 -16.422 -2.974 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.472 -16.016 -4.438 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.953 -15.550 -7.011 1.00 0.54 N ATOM 1623 CA GLU B 44 -20.081 -15.716 -8.455 1.00 0.58 C ATOM 1624 C GLU B 44 -18.712 -15.839 -9.106 1.00 0.59 C ATOM 1625 O GLU B 44 -18.418 -16.813 -9.800 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.819 -14.530 -9.075 1.00 0.58 C ATOM 1627 CG GLU B 44 -22.203 -14.292 -8.501 1.00 0.63 C ATOM 1628 CD GLU B 44 -23.137 -15.471 -8.698 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.007 -16.177 -9.720 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -24.003 -15.700 -7.830 1.00 1.55 O ATOM 0 H GLU B 44 -20.292 -14.655 -6.659 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.651 -16.629 -8.631 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -20.220 -13.630 -8.935 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.906 -14.692 -10.149 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.117 -14.078 -7.436 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.638 -13.409 -8.969 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.876 -14.848 -8.861 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.539 -14.819 -9.427 1.00 0.55 C ATOM 1639 C LEU B 45 -15.564 -15.620 -8.577 1.00 0.55 C ATOM 1640 O LEU B 45 -14.443 -15.889 -9.005 1.00 0.63 O ATOM 1641 CB LEU B 45 -16.047 -13.374 -9.529 1.00 0.51 C ATOM 1642 CG LEU B 45 -17.121 -12.348 -9.890 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.931 -11.078 -9.086 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.097 -12.041 -11.377 1.00 0.99 C ATOM 0 H LEU B 45 -18.100 -14.047 -8.270 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.586 -15.267 -10.420 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.601 -13.090 -8.576 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -15.256 -13.328 -10.277 1.00 0.51 H new ATOM 0 HG LEU B 45 -18.094 -12.774 -9.645 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.704 -10.358 -9.355 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -17.002 -11.306 -8.023 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -15.950 -10.655 -9.301 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.870 -11.309 -11.610 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -16.122 -11.638 -11.650 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -17.282 -12.956 -11.940 1.00 0.99 H new ATOM 1656 N ASN B 46 -16.010 -16.024 -7.383 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.163 -16.753 -6.439 1.00 0.59 C ATOM 1658 C ASN B 46 -13.983 -15.860 -6.059 1.00 0.54 C ATOM 1659 O ASN B 46 -12.824 -16.148 -6.358 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.687 -18.092 -7.025 1.00 0.71 C ATOM 1661 CG ASN B 46 -14.092 -19.008 -5.975 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -14.811 -19.754 -5.307 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -12.782 -18.964 -5.829 1.00 1.40 N ATOM 0 H ASN B 46 -16.959 -15.856 -7.048 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.740 -16.996 -5.547 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -15.527 -18.593 -7.505 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.944 -17.902 -7.799 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -12.325 -19.563 -5.141 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.226 -18.331 -6.404 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.318 -14.746 -5.424 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.344 -13.755 -4.998 1.00 0.46 C ATOM 1672 C TYR B 47 -12.308 -14.339 -4.043 1.00 0.52 C ATOM 1673 O TYR B 47 -12.633 -14.812 -2.952 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.075 -12.575 -4.345 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.176 -11.597 -3.613 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -11.903 -11.303 -4.080 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -13.606 -10.975 -2.448 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.081 -10.426 -3.406 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -12.788 -10.089 -1.770 1.00 1.21 C ATOM 1680 CZ TYR B 47 -11.524 -9.822 -2.253 1.00 0.46 C ATOM 1681 OH TYR B 47 -10.696 -8.949 -1.583 1.00 0.51 O ATOM 0 H TYR B 47 -15.281 -14.504 -5.189 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.801 -13.412 -5.879 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.625 -12.035 -5.116 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.811 -12.966 -3.643 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.550 -11.770 -4.988 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -14.594 -11.186 -2.066 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.091 -10.214 -3.783 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -13.137 -9.609 -0.868 1.00 1.21 H new ATOM 0 HH TYR B 47 -11.156 -8.606 -0.789 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.063 -14.308 -4.488 1.00 0.56 N ATOM 1692 CA ILE B 48 -9.933 -14.768 -3.700 1.00 0.64 C ATOM 1693 C ILE B 48 -9.010 -13.575 -3.484 1.00 0.59 C ATOM 1694 O ILE B 48 -8.268 -13.192 -4.388 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.168 -15.922 -4.393 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.070 -17.154 -4.533 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -7.899 -16.273 -3.620 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -9.418 -18.322 -5.254 1.00 1.28 C ATOM 0 H ILE B 48 -10.807 -13.961 -5.412 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.293 -15.164 -2.751 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.878 -15.589 -5.390 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.378 -17.480 -3.540 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -10.975 -16.869 -5.070 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.378 -17.086 -4.126 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.249 -15.400 -3.572 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.163 -16.584 -2.609 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.121 -19.153 -5.311 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.135 -18.016 -6.261 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -8.529 -18.636 -4.707 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.078 -12.965 -2.287 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.295 -11.772 -1.931 1.00 0.64 C ATOM 1712 C PRO B 49 -6.833 -11.840 -2.356 1.00 0.60 C ATOM 1713 O PRO B 49 -6.171 -12.864 -2.177 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.410 -11.726 -0.408 1.00 0.80 C ATOM 1715 CG PRO B 49 -9.728 -12.356 -0.113 1.00 0.83 C ATOM 1716 CD PRO B 49 -9.925 -13.418 -1.163 1.00 0.72 C ATOM 0 HA PRO B 49 -8.672 -10.886 -2.442 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -7.595 -12.271 0.068 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.368 -10.702 -0.038 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -9.738 -12.789 0.887 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.530 -11.618 -0.149 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -9.618 -14.400 -0.801 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -10.971 -13.499 -1.458 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.347 -10.743 -2.942 1.00 0.57 N ATOM 1725 CA ASN B 50 -4.964 -10.653 -3.389 1.00 0.58 C ATOM 1726 C ASN B 50 -4.026 -10.838 -2.203 1.00 0.60 C ATOM 1727 O ASN B 50 -3.787 -9.900 -1.451 1.00 0.71 O ATOM 1728 CB ASN B 50 -4.696 -9.290 -4.035 1.00 0.74 C ATOM 1729 CG ASN B 50 -5.248 -9.159 -5.444 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -5.467 -10.148 -6.142 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.464 -7.921 -5.873 1.00 0.68 N ATOM 0 H ASN B 50 -6.898 -9.903 -3.117 1.00 0.57 H new ATOM 0 HA ASN B 50 -4.788 -11.437 -4.126 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -5.132 -8.510 -3.410 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -3.620 -9.115 -4.059 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -5.825 -7.763 -6.814 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -5.269 -7.128 -5.262 1.00 0.68 H new ATOM 1738 N ARG B 51 -3.491 -12.040 -2.054 1.00 0.72 N ATOM 1739 CA ARG B 51 -2.591 -12.365 -0.949 1.00 0.84 C ATOM 1740 C ARG B 51 -1.450 -11.362 -0.829 1.00 0.76 C ATOM 1741 O ARG B 51 -1.048 -10.996 0.274 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.002 -13.766 -1.130 1.00 1.06 C ATOM 1743 CG ARG B 51 -3.002 -14.891 -0.902 1.00 1.68 C ATOM 1744 CD ARG B 51 -3.922 -15.096 -2.099 1.00 2.18 C ATOM 1745 NE ARG B 51 -3.209 -15.595 -3.273 1.00 2.97 N ATOM 1746 CZ ARG B 51 -3.575 -16.679 -3.955 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -4.585 -17.426 -3.523 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -2.916 -17.027 -5.052 1.00 4.76 N ATOM 0 H ARG B 51 -3.665 -12.818 -2.691 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.185 -12.325 -0.036 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -1.598 -13.852 -2.139 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -1.167 -13.890 -0.440 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -2.464 -15.817 -0.697 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -3.601 -14.668 -0.019 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -4.711 -15.799 -1.831 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -4.407 -14.152 -2.346 1.00 2.18 H new ATOM 0 HE ARG B 51 -2.384 -15.084 -3.588 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -5.080 -17.169 -2.669 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -4.865 -18.256 -4.045 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -2.128 -16.464 -5.374 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -3.197 -17.857 -5.574 1.00 4.76 H new ATOM 1762 N CYS B 52 -0.945 -10.914 -1.965 1.00 0.66 N ATOM 1763 CA CYS B 52 0.167 -9.981 -1.989 1.00 0.62 C ATOM 1764 C CYS B 52 -0.248 -8.559 -1.619 1.00 0.58 C ATOM 1765 O CYS B 52 0.315 -7.962 -0.704 1.00 0.61 O ATOM 1766 CB CYS B 52 0.809 -9.987 -3.373 1.00 0.66 C ATOM 1767 SG CYS B 52 1.321 -11.640 -3.949 1.00 0.70 S ATOM 0 H CYS B 52 -1.289 -11.183 -2.887 1.00 0.66 H new ATOM 0 HA CYS B 52 0.883 -10.311 -1.237 1.00 0.62 H new ATOM 0 HB2 CYS B 52 0.104 -9.566 -4.090 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.680 -9.332 -3.360 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.242 -8.032 -2.318 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.699 -6.664 -2.095 1.00 0.52 C ATOM 1774 C ALA B 53 -2.515 -6.494 -0.811 1.00 0.51 C ATOM 1775 O ALA B 53 -2.370 -5.489 -0.120 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.486 -6.189 -3.298 1.00 0.53 C ATOM 0 H ALA B 53 -1.751 -8.531 -3.048 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.810 -6.048 -1.964 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.827 -5.167 -3.130 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.851 -6.219 -4.183 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.348 -6.839 -3.448 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.353 -7.471 -0.483 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.194 -7.386 0.713 1.00 0.53 C ATOM 1784 C GLN B 54 -3.366 -7.430 1.992 1.00 0.58 C ATOM 1785 O GLN B 54 -3.495 -6.548 2.842 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.242 -8.503 0.730 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.552 -8.119 0.056 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.611 -7.660 1.042 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.306 -7.117 2.102 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.867 -7.878 0.698 1.00 0.64 N ATOM 0 H GLN B 54 -3.470 -8.328 -1.023 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.705 -6.424 0.673 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.832 -9.382 0.234 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.444 -8.785 1.763 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.364 -7.323 -0.665 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.931 -8.974 -0.504 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.081 -8.331 -0.190 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.623 -7.593 1.320 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.509 -8.446 2.121 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.668 -8.588 3.309 1.00 0.62 C ATOM 1801 C GLN B 55 -0.779 -7.359 3.477 1.00 0.60 C ATOM 1802 O GLN B 55 -0.505 -6.915 4.592 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.815 -9.857 3.214 1.00 0.65 C ATOM 1804 CG GLN B 55 0.111 -10.054 4.403 1.00 1.19 C ATOM 1805 CD GLN B 55 0.459 -11.509 4.657 1.00 1.78 C ATOM 1806 OE1 GLN B 55 0.478 -12.331 3.742 1.00 2.38 O ATOM 1807 NE2 GLN B 55 0.752 -11.834 5.905 1.00 2.52 N ATOM 0 H GLN B 55 -2.381 -9.177 1.422 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.313 -8.673 4.183 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.473 -10.722 3.128 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.219 -9.818 2.302 1.00 0.65 H new ATOM 0 HG2 GLN B 55 1.030 -9.491 4.237 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -0.360 -9.639 5.294 1.00 1.19 H new ATOM 0 HE21 GLN B 55 0.725 -11.124 6.637 1.00 2.52 H new ATOM 0 HE22 GLN B 55 1.005 -12.795 6.136 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.339 -6.826 2.351 1.00 0.54 N ATOM 1817 CA LEU B 56 0.498 -5.639 2.313 1.00 0.53 C ATOM 1818 C LEU B 56 -0.256 -4.435 2.839 1.00 0.55 C ATOM 1819 O LEU B 56 0.057 -3.919 3.908 1.00 0.58 O ATOM 1820 CB LEU B 56 0.900 -5.384 0.868 1.00 0.48 C ATOM 1821 CG LEU B 56 2.192 -4.611 0.664 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.330 -5.262 1.416 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.510 -4.539 -0.807 1.00 0.46 C ATOM 0 H LEU B 56 -0.554 -7.207 1.430 1.00 0.54 H new ATOM 0 HA LEU B 56 1.377 -5.797 2.939 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.991 -6.345 0.362 1.00 0.48 H new ATOM 0 HB3 LEU B 56 0.093 -4.840 0.377 1.00 0.48 H new ATOM 0 HG LEU B 56 2.063 -3.601 1.054 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.245 -4.692 1.256 1.00 0.45 H new ATOM 0 HD12 LEU B 56 3.097 -5.283 2.481 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.469 -6.281 1.055 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.437 -3.984 -0.952 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.625 -5.548 -1.204 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.699 -4.033 -1.330 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.267 -4.036 2.080 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.098 -2.879 2.379 1.00 0.59 C ATOM 1837 C ALA B 57 -2.660 -2.873 3.804 1.00 0.68 C ATOM 1838 O ALA B 57 -2.592 -1.851 4.493 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.221 -2.812 1.359 1.00 0.55 C ATOM 0 H ALA B 57 -1.538 -4.517 1.222 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.464 -1.995 2.316 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.853 -1.949 1.570 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.799 -2.717 0.359 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.818 -3.722 1.415 1.00 0.55 H new