USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 HIS : no HD1:sc= -5.72! C(o=-7.5!,f=-4.4!) USER MOD Set 1.2: A 45 SER OG : rot -172:sc= -1.74 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 0.088 (180deg=-0.238) USER MOD Single : A 8 CYS SG : rot 176:sc= -0.652 USER MOD Single : A 9 SER OG : rot 148:sc= 1.05 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -123:sc= -0.293 (180deg=-1.54) USER MOD Single : A 16 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.46) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -0.312 (180deg=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.0778 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.531 (180deg=0.313) USER MOD Single : A 49 ASN : amide:sc= -0.665 K(o=-0.67,f=-0.13) USER MOD Single : A 51 ASN : amide:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc=-0.00169 (180deg=-0.101) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0516) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -150:sc= -1.58! USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= -0.0156 (180deg=-0.196) USER MOD Single : A 82 SER OG : rot -150:sc= -0.524 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -5.89! C(o=-5.9!,f=-7.7!) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.822 7.624 -7.312 1.00 34.44 N ATOM 48 CA LYS A 5 -3.070 8.373 -7.405 1.00 34.50 C ATOM 49 C LYS A 5 -4.058 7.922 -6.333 1.00 64.13 C ATOM 50 O LYS A 5 -3.914 6.843 -5.758 1.00 64.33 O ATOM 51 CB LYS A 5 -3.691 8.196 -8.792 1.00 75.44 C ATOM 52 CG LYS A 5 -3.302 6.894 -9.472 1.00 54.53 C ATOM 53 CD LYS A 5 -3.959 6.760 -10.836 1.00 20.32 C ATOM 54 CE LYS A 5 -3.233 7.584 -11.888 1.00 11.24 C ATOM 55 NZ LYS A 5 -3.838 7.419 -13.238 1.00 62.21 N ATOM 0 HA LYS A 5 -2.845 9.427 -7.245 1.00 34.50 H new ATOM 0 HB2 LYS A 5 -4.776 8.239 -8.703 1.00 75.44 H new ATOM 0 HB3 LYS A 5 -3.390 9.031 -9.425 1.00 75.44 H new ATOM 0 HG2 LYS A 5 -2.219 6.850 -9.583 1.00 54.53 H new ATOM 0 HG3 LYS A 5 -3.593 6.053 -8.843 1.00 54.53 H new ATOM 0 HD2 LYS A 5 -3.968 5.712 -11.135 1.00 20.32 H new ATOM 0 HD3 LYS A 5 -4.998 7.082 -10.774 1.00 20.32 H new ATOM 0 HE2 LYS A 5 -3.258 8.636 -11.605 1.00 11.24 H new ATOM 0 HE3 LYS A 5 -2.185 7.288 -11.921 1.00 11.24 H new ATOM 0 HZ1 LYS A 5 -3.314 7.997 -13.926 1.00 62.21 H new ATOM 0 HZ2 LYS A 5 -3.792 6.419 -13.519 1.00 62.21 H new ATOM 0 HZ3 LYS A 5 -4.831 7.726 -13.213 1.00 62.21 H new ATOM 69 N ILE A 6 -5.059 8.754 -6.071 1.00 2.44 N ATOM 70 CA ILE A 6 -6.070 8.439 -5.070 1.00 54.41 C ATOM 71 C ILE A 6 -7.407 9.088 -5.416 1.00 33.24 C ATOM 72 O ILE A 6 -7.453 10.149 -6.038 1.00 21.30 O ATOM 73 CB ILE A 6 -5.637 8.902 -3.666 1.00 33.21 C ATOM 74 CG1 ILE A 6 -5.383 10.410 -3.658 1.00 2.32 C ATOM 75 CG2 ILE A 6 -4.393 8.147 -3.220 1.00 73.45 C ATOM 76 CD1 ILE A 6 -5.658 11.062 -2.321 1.00 1.20 C ATOM 0 H ILE A 6 -5.192 9.651 -6.538 1.00 2.44 H new ATOM 0 HA ILE A 6 -6.184 7.355 -5.067 1.00 54.41 H new ATOM 0 HB ILE A 6 -6.442 8.685 -2.964 1.00 33.21 H new ATOM 0 HG12 ILE A 6 -4.346 10.597 -3.938 1.00 2.32 H new ATOM 0 HG13 ILE A 6 -6.008 10.880 -4.418 1.00 2.32 H new ATOM 0 HG21 ILE A 6 -4.099 8.485 -2.226 1.00 73.45 H new ATOM 0 HG22 ILE A 6 -4.607 7.079 -3.192 1.00 73.45 H new ATOM 0 HG23 ILE A 6 -3.581 8.336 -3.922 1.00 73.45 H new ATOM 0 HD11 ILE A 6 -5.457 12.131 -2.389 1.00 1.20 H new ATOM 0 HD12 ILE A 6 -6.702 10.906 -2.048 1.00 1.20 H new ATOM 0 HD13 ILE A 6 -5.014 10.619 -1.561 1.00 1.20 H new ATOM 88 N LYS A 7 -8.495 8.443 -5.007 1.00 4.43 N ATOM 89 CA LYS A 7 -9.834 8.957 -5.269 1.00 4.20 C ATOM 90 C LYS A 7 -10.105 10.215 -4.449 1.00 64.43 C ATOM 91 O LYS A 7 -9.634 10.342 -3.317 1.00 52.25 O ATOM 92 CB LYS A 7 -10.883 7.891 -4.951 1.00 0.22 C ATOM 93 CG LYS A 7 -11.775 7.542 -6.130 1.00 63.13 C ATOM 94 CD LYS A 7 -13.145 7.073 -5.675 1.00 15.24 C ATOM 95 CE LYS A 7 -14.241 8.021 -6.137 1.00 71.02 C ATOM 96 NZ LYS A 7 -15.599 7.497 -5.821 1.00 3.34 N ATOM 0 H LYS A 7 -8.475 7.563 -4.492 1.00 4.43 H new ATOM 0 HA LYS A 7 -9.897 9.215 -6.326 1.00 4.20 H new ATOM 0 HB2 LYS A 7 -10.378 6.988 -4.609 1.00 0.22 H new ATOM 0 HB3 LYS A 7 -11.505 8.240 -4.127 1.00 0.22 H new ATOM 0 HG2 LYS A 7 -11.884 8.414 -6.775 1.00 63.13 H new ATOM 0 HG3 LYS A 7 -11.302 6.762 -6.726 1.00 63.13 H new ATOM 0 HD2 LYS A 7 -13.337 6.074 -6.067 1.00 15.24 H new ATOM 0 HD3 LYS A 7 -13.162 6.998 -4.588 1.00 15.24 H new ATOM 0 HE2 LYS A 7 -14.106 8.992 -5.660 1.00 71.02 H new ATOM 0 HE3 LYS A 7 -14.154 8.180 -7.212 1.00 71.02 H new ATOM 0 HZ1 LYS A 7 -16.236 7.679 -6.622 1.00 3.34 H new ATOM 0 HZ2 LYS A 7 -15.544 6.473 -5.647 1.00 3.34 H new ATOM 0 HZ3 LYS A 7 -15.966 7.973 -4.972 1.00 3.34 H new ATOM 110 N CYS A 8 -10.866 11.138 -5.024 1.00 61.03 N ATOM 111 CA CYS A 8 -11.200 12.385 -4.345 1.00 71.25 C ATOM 112 C CYS A 8 -12.231 13.178 -5.141 1.00 71.14 C ATOM 113 O CYS A 8 -12.550 12.834 -6.280 1.00 21.11 O ATOM 114 CB CYS A 8 -9.942 13.229 -4.134 1.00 71.03 C ATOM 115 SG CYS A 8 -9.513 13.493 -2.398 1.00 54.35 S ATOM 0 H CYS A 8 -11.264 11.047 -5.959 1.00 61.03 H new ATOM 0 HA CYS A 8 -11.629 12.137 -3.374 1.00 71.25 H new ATOM 0 HB2 CYS A 8 -9.104 12.744 -4.635 1.00 71.03 H new ATOM 0 HB3 CYS A 8 -10.083 14.198 -4.614 1.00 71.03 H new ATOM 0 HG CYS A 8 -8.384 14.134 -2.323 1.00 54.35 H new ATOM 121 N SER A 9 -12.751 14.240 -4.535 1.00 12.22 N ATOM 122 CA SER A 9 -13.751 15.079 -5.184 1.00 73.33 C ATOM 123 C SER A 9 -13.409 16.557 -5.023 1.00 5.13 C ATOM 124 O SER A 9 -12.294 16.909 -4.636 1.00 31.23 O ATOM 125 CB SER A 9 -15.139 14.799 -4.604 1.00 22.24 C ATOM 126 OG SER A 9 -15.225 15.233 -3.257 1.00 75.12 O ATOM 0 H SER A 9 -12.496 14.540 -3.594 1.00 12.22 H new ATOM 0 HA SER A 9 -13.754 14.839 -6.247 1.00 73.33 H new ATOM 0 HB2 SER A 9 -15.896 15.306 -5.202 1.00 22.24 H new ATOM 0 HB3 SER A 9 -15.352 13.731 -4.660 1.00 22.24 H new ATOM 0 HG SER A 9 -16.140 15.529 -3.066 1.00 75.12 H new ATOM 132 N HIS A 10 -14.376 17.419 -5.321 1.00 62.13 N ATOM 133 CA HIS A 10 -14.178 18.860 -5.209 1.00 61.41 C ATOM 134 C HIS A 10 -15.486 19.608 -5.448 1.00 32.12 C ATOM 135 O HIS A 10 -16.332 19.165 -6.226 1.00 2.53 O ATOM 136 CB HIS A 10 -13.118 19.329 -6.206 1.00 53.34 C ATOM 137 CG HIS A 10 -13.434 18.976 -7.627 1.00 13.14 C ATOM 138 ND1 HIS A 10 -13.729 19.918 -8.589 1.00 32.20 N ATOM 139 CD2 HIS A 10 -13.499 17.774 -8.246 1.00 44.12 C ATOM 140 CE1 HIS A 10 -13.963 19.311 -9.739 1.00 42.43 C ATOM 141 NE2 HIS A 10 -13.829 18.010 -9.558 1.00 65.41 N ATOM 0 H HIS A 10 -15.305 17.145 -5.642 1.00 62.13 H new ATOM 0 HA HIS A 10 -13.836 19.078 -4.197 1.00 61.41 H new ATOM 0 HB2 HIS A 10 -13.008 20.410 -6.125 1.00 53.34 H new ATOM 0 HB3 HIS A 10 -12.158 18.890 -5.936 1.00 53.34 H new ATOM 0 HD2 HIS A 10 -13.324 16.809 -7.793 1.00 44.12 H new ATOM 0 HE1 HIS A 10 -14.220 19.796 -10.669 1.00 42.43 H new ATOM 0 HE2 HIS A 10 -13.951 17.296 -10.276 1.00 65.41 H new ATOM 149 N ILE A 11 -15.645 20.741 -4.773 1.00 44.11 N ATOM 150 CA ILE A 11 -16.850 21.550 -4.913 1.00 25.43 C ATOM 151 C ILE A 11 -16.536 23.035 -4.764 1.00 25.20 C ATOM 152 O ILE A 11 -16.098 23.485 -3.704 1.00 24.42 O ATOM 153 CB ILE A 11 -17.916 21.156 -3.874 1.00 51.14 C ATOM 154 CG1 ILE A 11 -18.542 19.808 -4.240 1.00 12.32 C ATOM 155 CG2 ILE A 11 -18.986 22.233 -3.777 1.00 45.44 C ATOM 156 CD1 ILE A 11 -19.532 19.303 -3.215 1.00 11.24 C ATOM 0 H ILE A 11 -14.955 21.120 -4.124 1.00 44.11 H new ATOM 0 HA ILE A 11 -17.241 21.362 -5.913 1.00 25.43 H new ATOM 0 HB ILE A 11 -17.435 21.061 -2.901 1.00 51.14 H new ATOM 0 HG12 ILE A 11 -19.044 19.899 -5.203 1.00 12.32 H new ATOM 0 HG13 ILE A 11 -17.749 19.070 -4.362 1.00 12.32 H new ATOM 0 HG21 ILE A 11 -19.732 21.939 -3.038 1.00 45.44 H new ATOM 0 HG22 ILE A 11 -18.528 23.175 -3.475 1.00 45.44 H new ATOM 0 HG23 ILE A 11 -19.466 22.358 -4.748 1.00 45.44 H new ATOM 0 HD11 ILE A 11 -19.935 18.344 -3.540 1.00 11.24 H new ATOM 0 HD12 ILE A 11 -19.031 19.179 -2.255 1.00 11.24 H new ATOM 0 HD13 ILE A 11 -20.345 20.021 -3.110 1.00 11.24 H new ATOM 168 N LEU A 12 -16.763 23.792 -5.831 1.00 52.23 N ATOM 169 CA LEU A 12 -16.506 25.228 -5.820 1.00 14.10 C ATOM 170 C LEU A 12 -17.772 26.004 -5.472 1.00 52.45 C ATOM 171 O LEU A 12 -18.878 25.606 -5.839 1.00 3.13 O ATOM 172 CB LEU A 12 -15.972 25.682 -7.179 1.00 64.13 C ATOM 173 CG LEU A 12 -14.451 25.692 -7.333 1.00 5.52 C ATOM 174 CD1 LEU A 12 -13.815 26.600 -6.290 1.00 21.31 C ATOM 175 CD2 LEU A 12 -13.894 24.280 -7.224 1.00 50.13 C ATOM 0 H LEU A 12 -17.125 23.435 -6.716 1.00 52.23 H new ATOM 0 HA LEU A 12 -15.755 25.432 -5.057 1.00 14.10 H new ATOM 0 HB2 LEU A 12 -16.391 25.032 -7.947 1.00 64.13 H new ATOM 0 HB3 LEU A 12 -16.344 26.688 -7.375 1.00 64.13 H new ATOM 0 HG LEU A 12 -14.208 26.081 -8.322 1.00 5.52 H new ATOM 0 HD11 LEU A 12 -12.732 26.595 -6.415 1.00 21.31 H new ATOM 0 HD12 LEU A 12 -14.190 27.616 -6.415 1.00 21.31 H new ATOM 0 HD13 LEU A 12 -14.067 26.240 -5.292 1.00 21.31 H new ATOM 0 HD21 LEU A 12 -12.810 24.307 -7.336 1.00 50.13 H new ATOM 0 HD22 LEU A 12 -14.148 23.863 -6.249 1.00 50.13 H new ATOM 0 HD23 LEU A 12 -14.325 23.657 -8.008 1.00 50.13 H new ATOM 187 N VAL A 13 -17.603 27.118 -4.766 1.00 45.44 N ATOM 188 CA VAL A 13 -18.731 27.954 -4.373 1.00 72.32 C ATOM 189 C VAL A 13 -18.344 29.427 -4.356 1.00 43.32 C ATOM 190 O VAL A 13 -17.217 29.788 -4.696 1.00 73.33 O ATOM 191 CB VAL A 13 -19.265 27.558 -2.984 1.00 33.03 C ATOM 192 CG1 VAL A 13 -19.731 26.110 -2.983 1.00 22.41 C ATOM 193 CG2 VAL A 13 -18.201 27.784 -1.921 1.00 2.42 C ATOM 0 H VAL A 13 -16.695 27.462 -4.454 1.00 45.44 H new ATOM 0 HA VAL A 13 -19.515 27.797 -5.114 1.00 72.32 H new ATOM 0 HB VAL A 13 -20.122 28.190 -2.750 1.00 33.03 H new ATOM 0 HG11 VAL A 13 -20.105 25.849 -1.993 1.00 22.41 H new ATOM 0 HG12 VAL A 13 -20.527 25.984 -3.717 1.00 22.41 H new ATOM 0 HG13 VAL A 13 -18.895 25.459 -3.239 1.00 22.41 H new ATOM 0 HG21 VAL A 13 -18.595 27.499 -0.945 1.00 2.42 H new ATOM 0 HG22 VAL A 13 -17.324 27.178 -2.149 1.00 2.42 H new ATOM 0 HG23 VAL A 13 -17.920 28.837 -1.905 1.00 2.42 H new ATOM 203 N SER A 14 -19.286 30.277 -3.958 1.00 30.11 N ATOM 204 CA SER A 14 -19.045 31.713 -3.899 1.00 51.44 C ATOM 205 C SER A 14 -19.065 32.209 -2.456 1.00 65.05 C ATOM 206 O SER A 14 -18.563 33.292 -2.153 1.00 25.43 O ATOM 207 CB SER A 14 -20.095 32.463 -4.722 1.00 32.30 C ATOM 208 OG SER A 14 -21.378 31.885 -4.558 1.00 33.44 O ATOM 0 H SER A 14 -20.223 29.995 -3.672 1.00 30.11 H new ATOM 0 HA SER A 14 -18.058 31.907 -4.318 1.00 51.44 H new ATOM 0 HB2 SER A 14 -20.122 33.509 -4.417 1.00 32.30 H new ATOM 0 HB3 SER A 14 -19.817 32.446 -5.776 1.00 32.30 H new ATOM 0 HG SER A 14 -22.032 32.383 -5.092 1.00 33.44 H new ATOM 214 N LYS A 15 -19.648 31.409 -1.571 1.00 10.43 N ATOM 215 CA LYS A 15 -19.734 31.763 -0.159 1.00 45.51 C ATOM 216 C LYS A 15 -19.234 30.621 0.720 1.00 34.00 C ATOM 217 O LYS A 15 -19.450 29.449 0.410 1.00 12.21 O ATOM 218 CB LYS A 15 -21.175 32.116 0.214 1.00 72.43 C ATOM 219 CG LYS A 15 -21.847 33.053 -0.775 1.00 73.23 C ATOM 220 CD LYS A 15 -23.160 33.592 -0.230 1.00 25.41 C ATOM 221 CE LYS A 15 -24.183 32.482 -0.047 1.00 53.24 C ATOM 222 NZ LYS A 15 -24.095 31.862 1.304 1.00 71.23 N ATOM 0 H LYS A 15 -20.069 30.510 -1.806 1.00 10.43 H new ATOM 0 HA LYS A 15 -19.099 32.633 0.010 1.00 45.51 H new ATOM 0 HB2 LYS A 15 -21.758 31.198 0.286 1.00 72.43 H new ATOM 0 HB3 LYS A 15 -21.183 32.577 1.202 1.00 72.43 H new ATOM 0 HG2 LYS A 15 -21.178 33.883 -1.003 1.00 73.23 H new ATOM 0 HG3 LYS A 15 -22.030 32.525 -1.711 1.00 73.23 H new ATOM 0 HD2 LYS A 15 -22.983 34.087 0.725 1.00 25.41 H new ATOM 0 HD3 LYS A 15 -23.556 34.345 -0.911 1.00 25.41 H new ATOM 0 HE2 LYS A 15 -25.185 32.884 -0.197 1.00 53.24 H new ATOM 0 HE3 LYS A 15 -24.029 31.717 -0.808 1.00 53.24 H new ATOM 0 HZ1 LYS A 15 -23.932 30.840 1.207 1.00 71.23 H new ATOM 0 HZ2 LYS A 15 -23.307 32.290 1.832 1.00 71.23 H new ATOM 0 HZ3 LYS A 15 -24.984 32.023 1.819 1.00 71.23 H new ATOM 236 N GLN A 16 -18.570 30.970 1.817 1.00 41.55 N ATOM 237 CA GLN A 16 -18.042 29.973 2.739 1.00 3.12 C ATOM 238 C GLN A 16 -19.167 29.130 3.332 1.00 5.13 C ATOM 239 O GLN A 16 -18.959 27.978 3.712 1.00 65.01 O ATOM 240 CB GLN A 16 -17.252 30.652 3.860 1.00 24.41 C ATOM 241 CG GLN A 16 -17.997 31.802 4.519 1.00 63.43 C ATOM 242 CD GLN A 16 -17.649 31.957 5.986 1.00 53.32 C ATOM 243 OE1 GLN A 16 -17.586 30.977 6.729 1.00 70.22 O ATOM 244 NE2 GLN A 16 -17.421 33.194 6.413 1.00 74.11 N ATOM 0 H GLN A 16 -18.385 31.936 2.089 1.00 41.55 H new ATOM 0 HA GLN A 16 -17.375 29.316 2.181 1.00 3.12 H new ATOM 0 HB2 GLN A 16 -17.002 29.910 4.618 1.00 24.41 H new ATOM 0 HB3 GLN A 16 -16.311 31.024 3.456 1.00 24.41 H new ATOM 0 HG2 GLN A 16 -17.765 32.729 3.994 1.00 63.43 H new ATOM 0 HG3 GLN A 16 -19.070 31.640 4.419 1.00 63.43 H new ATOM 0 HE21 GLN A 16 -17.484 33.978 5.763 1.00 74.11 H new ATOM 0 HE22 GLN A 16 -17.183 33.360 7.391 1.00 74.11 H new ATOM 253 N SER A 17 -20.359 29.714 3.408 1.00 64.31 N ATOM 254 CA SER A 17 -21.516 29.017 3.958 1.00 14.43 C ATOM 255 C SER A 17 -21.886 27.814 3.096 1.00 14.30 C ATOM 256 O SER A 17 -22.459 26.841 3.585 1.00 42.21 O ATOM 257 CB SER A 17 -22.708 29.971 4.063 1.00 23.04 C ATOM 258 OG SER A 17 -23.775 29.375 4.781 1.00 70.25 O ATOM 0 H SER A 17 -20.549 30.666 3.096 1.00 64.31 H new ATOM 0 HA SER A 17 -21.256 28.660 4.955 1.00 14.43 H new ATOM 0 HB2 SER A 17 -22.399 30.891 4.560 1.00 23.04 H new ATOM 0 HB3 SER A 17 -23.046 30.247 3.064 1.00 23.04 H new ATOM 0 HG SER A 17 -24.524 30.004 4.836 1.00 70.25 H new ATOM 264 N GLU A 18 -21.556 27.890 1.811 1.00 10.11 N ATOM 265 CA GLU A 18 -21.855 26.809 0.880 1.00 34.34 C ATOM 266 C GLU A 18 -20.747 25.760 0.890 1.00 45.35 C ATOM 267 O GLU A 18 -21.012 24.560 0.941 1.00 63.03 O ATOM 268 CB GLU A 18 -22.040 27.359 -0.535 1.00 22.02 C ATOM 269 CG GLU A 18 -23.295 28.199 -0.703 1.00 34.31 C ATOM 270 CD GLU A 18 -23.633 28.459 -2.158 1.00 3.11 C ATOM 271 OE1 GLU A 18 -22.792 29.056 -2.864 1.00 72.34 O ATOM 272 OE2 GLU A 18 -24.737 28.068 -2.590 1.00 61.31 O ATOM 0 H GLU A 18 -21.081 28.689 1.391 1.00 10.11 H new ATOM 0 HA GLU A 18 -22.783 26.335 1.201 1.00 34.34 H new ATOM 0 HB2 GLU A 18 -21.171 27.963 -0.797 1.00 22.02 H new ATOM 0 HB3 GLU A 18 -22.074 26.526 -1.238 1.00 22.02 H new ATOM 0 HG2 GLU A 18 -24.133 27.693 -0.224 1.00 34.31 H new ATOM 0 HG3 GLU A 18 -23.162 29.151 -0.189 1.00 34.31 H new ATOM 279 N ALA A 19 -19.501 26.225 0.840 1.00 34.02 N ATOM 280 CA ALA A 19 -18.352 25.329 0.844 1.00 24.14 C ATOM 281 C ALA A 19 -18.233 24.593 2.175 1.00 54.42 C ATOM 282 O ALA A 19 -18.073 23.372 2.209 1.00 44.32 O ATOM 283 CB ALA A 19 -17.076 26.106 0.553 1.00 10.30 C ATOM 0 H ALA A 19 -19.263 27.216 0.796 1.00 34.02 H new ATOM 0 HA ALA A 19 -18.500 24.586 0.060 1.00 24.14 H new ATOM 0 HB1 ALA A 19 -16.226 25.424 0.559 1.00 10.30 H new ATOM 0 HB2 ALA A 19 -17.154 26.580 -0.425 1.00 10.30 H new ATOM 0 HB3 ALA A 19 -16.933 26.871 1.317 1.00 10.30 H new ATOM 289 N LEU A 20 -18.314 25.343 3.268 1.00 23.03 N ATOM 290 CA LEU A 20 -18.215 24.762 4.603 1.00 2.20 C ATOM 291 C LEU A 20 -19.427 23.887 4.908 1.00 52.13 C ATOM 292 O LEU A 20 -19.390 23.050 5.809 1.00 42.12 O ATOM 293 CB LEU A 20 -18.092 25.867 5.654 1.00 24.41 C ATOM 294 CG LEU A 20 -17.341 25.495 6.934 1.00 55.25 C ATOM 295 CD1 LEU A 20 -16.576 26.695 7.472 1.00 73.53 C ATOM 296 CD2 LEU A 20 -18.308 24.963 7.982 1.00 61.42 C ATOM 0 H LEU A 20 -18.448 26.354 3.257 1.00 23.03 H new ATOM 0 HA LEU A 20 -17.322 24.138 4.635 1.00 2.20 H new ATOM 0 HB2 LEU A 20 -17.591 26.721 5.198 1.00 24.41 H new ATOM 0 HB3 LEU A 20 -19.095 26.194 5.927 1.00 24.41 H new ATOM 0 HG LEU A 20 -16.623 24.709 6.697 1.00 55.25 H new ATOM 0 HD11 LEU A 20 -16.048 26.412 8.383 1.00 73.53 H new ATOM 0 HD12 LEU A 20 -15.857 27.032 6.726 1.00 73.53 H new ATOM 0 HD13 LEU A 20 -17.274 27.502 7.694 1.00 73.53 H new ATOM 0 HD21 LEU A 20 -17.758 24.703 8.886 1.00 61.42 H new ATOM 0 HD22 LEU A 20 -19.049 25.728 8.215 1.00 61.42 H new ATOM 0 HD23 LEU A 20 -18.811 24.076 7.596 1.00 61.42 H new ATOM 308 N ALA A 21 -20.499 24.087 4.149 1.00 73.35 N ATOM 309 CA ALA A 21 -21.721 23.313 4.334 1.00 12.21 C ATOM 310 C ALA A 21 -21.537 21.874 3.866 1.00 64.11 C ATOM 311 O ALA A 21 -22.379 21.015 4.125 1.00 71.12 O ATOM 312 CB ALA A 21 -22.877 23.968 3.592 1.00 22.03 C ATOM 0 H ALA A 21 -20.547 24.778 3.400 1.00 73.35 H new ATOM 0 HA ALA A 21 -21.951 23.293 5.399 1.00 12.21 H new ATOM 0 HB1 ALA A 21 -23.783 23.380 3.738 1.00 22.03 H new ATOM 0 HB2 ALA A 21 -23.032 24.976 3.977 1.00 22.03 H new ATOM 0 HB3 ALA A 21 -22.645 24.018 2.528 1.00 22.03 H new ATOM 318 N ILE A 22 -20.430 21.619 3.175 1.00 32.12 N ATOM 319 CA ILE A 22 -20.135 20.283 2.672 1.00 55.55 C ATOM 320 C ILE A 22 -19.780 19.332 3.809 1.00 0.53 C ATOM 321 O ILE A 22 -20.097 18.144 3.761 1.00 60.13 O ATOM 322 CB ILE A 22 -18.977 20.307 1.657 1.00 74.15 C ATOM 323 CG1 ILE A 22 -19.328 21.209 0.472 1.00 45.25 C ATOM 324 CG2 ILE A 22 -18.662 18.897 1.180 1.00 32.23 C ATOM 325 CD1 ILE A 22 -20.566 20.770 -0.278 1.00 71.24 C ATOM 0 H ILE A 22 -19.723 22.320 2.951 1.00 32.12 H new ATOM 0 HA ILE A 22 -21.037 19.928 2.174 1.00 55.55 H new ATOM 0 HB ILE A 22 -18.091 20.711 2.148 1.00 74.15 H new ATOM 0 HG12 ILE A 22 -19.474 22.227 0.832 1.00 45.25 H new ATOM 0 HG13 ILE A 22 -18.485 21.233 -0.218 1.00 45.25 H new ATOM 0 HG21 ILE A 22 -17.842 18.930 0.463 1.00 32.23 H new ATOM 0 HG22 ILE A 22 -18.375 18.280 2.032 1.00 32.23 H new ATOM 0 HG23 ILE A 22 -19.544 18.469 0.703 1.00 32.23 H new ATOM 0 HD11 ILE A 22 -20.753 21.456 -1.104 1.00 71.24 H new ATOM 0 HD12 ILE A 22 -20.417 19.763 -0.669 1.00 71.24 H new ATOM 0 HD13 ILE A 22 -21.421 20.774 0.398 1.00 71.24 H new ATOM 337 N MET A 23 -19.122 19.864 4.834 1.00 53.41 N ATOM 338 CA MET A 23 -18.726 19.064 5.987 1.00 64.14 C ATOM 339 C MET A 23 -19.874 18.944 6.984 1.00 4.23 C ATOM 340 O MET A 23 -19.909 18.017 7.794 1.00 1.23 O ATOM 341 CB MET A 23 -17.503 19.681 6.669 1.00 54.54 C ATOM 342 CG MET A 23 -17.736 21.101 7.160 1.00 2.14 C ATOM 343 SD MET A 23 -16.893 21.443 8.718 1.00 73.32 S ATOM 344 CE MET A 23 -15.181 21.394 8.194 1.00 42.42 C ATOM 0 H MET A 23 -18.852 20.846 4.889 1.00 53.41 H new ATOM 0 HA MET A 23 -18.469 18.065 5.634 1.00 64.14 H new ATOM 0 HB2 MET A 23 -17.213 19.056 7.514 1.00 54.54 H new ATOM 0 HB3 MET A 23 -16.667 19.679 5.970 1.00 54.54 H new ATOM 0 HG2 MET A 23 -17.391 21.805 6.402 1.00 2.14 H new ATOM 0 HG3 MET A 23 -18.806 21.267 7.286 1.00 2.14 H new ATOM 0 HE1 MET A 23 -14.533 21.588 9.049 1.00 42.42 H new ATOM 0 HE2 MET A 23 -14.954 20.410 7.783 1.00 42.42 H new ATOM 0 HE3 MET A 23 -15.012 22.154 7.431 1.00 42.42 H new ATOM 354 N GLU A 24 -20.808 19.886 6.922 1.00 54.45 N ATOM 355 CA GLU A 24 -21.956 19.885 7.821 1.00 1.33 C ATOM 356 C GLU A 24 -23.094 19.045 7.251 1.00 60.34 C ATOM 357 O GLU A 24 -23.650 18.185 7.934 1.00 34.31 O ATOM 358 CB GLU A 24 -22.438 21.316 8.070 1.00 32.30 C ATOM 359 CG GLU A 24 -21.313 22.334 8.144 1.00 31.33 C ATOM 360 CD GLU A 24 -21.540 23.378 9.220 1.00 51.52 C ATOM 361 OE1 GLU A 24 -22.496 24.170 9.085 1.00 13.51 O ATOM 362 OE2 GLU A 24 -20.762 23.402 10.197 1.00 54.33 O ATOM 0 H GLU A 24 -20.793 20.660 6.258 1.00 54.45 H new ATOM 0 HA GLU A 24 -21.643 19.445 8.768 1.00 1.33 H new ATOM 0 HB2 GLU A 24 -23.124 21.603 7.273 1.00 32.30 H new ATOM 0 HB3 GLU A 24 -23.003 21.343 9.002 1.00 32.30 H new ATOM 0 HG2 GLU A 24 -20.373 21.817 8.337 1.00 31.33 H new ATOM 0 HG3 GLU A 24 -21.212 22.829 7.178 1.00 31.33 H new ATOM 369 N LYS A 25 -23.436 19.299 5.992 1.00 0.32 N ATOM 370 CA LYS A 25 -24.507 18.567 5.327 1.00 54.24 C ATOM 371 C LYS A 25 -24.184 17.078 5.252 1.00 51.44 C ATOM 372 O LYS A 25 -25.063 16.233 5.424 1.00 64.32 O ATOM 373 CB LYS A 25 -24.734 19.123 3.919 1.00 75.44 C ATOM 374 CG LYS A 25 -26.056 18.696 3.302 1.00 24.00 C ATOM 375 CD LYS A 25 -27.221 19.474 3.891 1.00 73.34 C ATOM 376 CE LYS A 25 -27.452 20.780 3.147 1.00 20.24 C ATOM 377 NZ LYS A 25 -26.589 21.875 3.670 1.00 41.25 N ATOM 0 H LYS A 25 -22.986 20.007 5.412 1.00 0.32 H new ATOM 0 HA LYS A 25 -25.418 18.693 5.912 1.00 54.24 H new ATOM 0 HB2 LYS A 25 -24.695 20.212 3.957 1.00 75.44 H new ATOM 0 HB3 LYS A 25 -23.919 18.797 3.273 1.00 75.44 H new ATOM 0 HG2 LYS A 25 -26.022 18.850 2.223 1.00 24.00 H new ATOM 0 HG3 LYS A 25 -26.208 17.629 3.467 1.00 24.00 H new ATOM 0 HD2 LYS A 25 -28.124 18.866 3.849 1.00 73.34 H new ATOM 0 HD3 LYS A 25 -27.026 19.683 4.943 1.00 73.34 H new ATOM 0 HE2 LYS A 25 -27.251 20.634 2.086 1.00 20.24 H new ATOM 0 HE3 LYS A 25 -28.499 21.069 3.236 1.00 20.24 H new ATOM 0 HZ1 LYS A 25 -27.134 22.760 3.704 1.00 41.25 H new ATOM 0 HZ2 LYS A 25 -26.262 21.632 4.627 1.00 41.25 H new ATOM 0 HZ3 LYS A 25 -25.767 21.998 3.044 1.00 41.25 H new ATOM 465 N LYS A 31 -24.993 12.340 0.505 1.00 43.33 N ATOM 466 CA LYS A 31 -24.315 12.199 -0.778 1.00 43.32 C ATOM 467 C LYS A 31 -23.540 13.467 -1.127 1.00 72.35 C ATOM 468 O LYS A 31 -24.122 14.544 -1.259 1.00 2.40 O ATOM 469 CB LYS A 31 -25.329 11.889 -1.882 1.00 64.34 C ATOM 470 CG LYS A 31 -24.814 10.905 -2.919 1.00 53.25 C ATOM 471 CD LYS A 31 -23.453 11.318 -3.454 1.00 75.11 C ATOM 472 CE LYS A 31 -22.965 10.363 -4.531 1.00 64.23 C ATOM 473 NZ LYS A 31 -21.479 10.370 -4.647 1.00 13.32 N ATOM 0 HA LYS A 31 -23.609 11.373 -0.698 1.00 43.32 H new ATOM 0 HB2 LYS A 31 -26.235 11.487 -1.429 1.00 64.34 H new ATOM 0 HB3 LYS A 31 -25.607 12.818 -2.380 1.00 64.34 H new ATOM 0 HG2 LYS A 31 -24.745 9.911 -2.476 1.00 53.25 H new ATOM 0 HG3 LYS A 31 -25.525 10.838 -3.743 1.00 53.25 H new ATOM 0 HD2 LYS A 31 -23.512 12.328 -3.861 1.00 75.11 H new ATOM 0 HD3 LYS A 31 -22.732 11.345 -2.637 1.00 75.11 H new ATOM 0 HE2 LYS A 31 -23.307 9.353 -4.303 1.00 64.23 H new ATOM 0 HE3 LYS A 31 -23.405 10.640 -5.489 1.00 64.23 H new ATOM 0 HZ1 LYS A 31 -21.186 9.706 -5.392 1.00 13.32 H new ATOM 0 HZ2 LYS A 31 -21.154 11.328 -4.889 1.00 13.32 H new ATOM 0 HZ3 LYS A 31 -21.059 10.081 -3.741 1.00 13.32 H new ATOM 487 N PHE A 32 -22.227 13.330 -1.276 1.00 12.13 N ATOM 488 CA PHE A 32 -21.374 14.465 -1.610 1.00 23.12 C ATOM 489 C PHE A 32 -21.752 15.048 -2.968 1.00 41.54 C ATOM 490 O PHE A 32 -21.872 16.263 -3.123 1.00 44.11 O ATOM 491 CB PHE A 32 -19.904 14.039 -1.617 1.00 3.43 C ATOM 492 CG PHE A 32 -18.961 15.151 -1.979 1.00 24.34 C ATOM 493 CD1 PHE A 32 -18.763 15.506 -3.304 1.00 31.14 C ATOM 494 CD2 PHE A 32 -18.270 15.839 -0.994 1.00 44.41 C ATOM 495 CE1 PHE A 32 -17.895 16.527 -3.640 1.00 52.34 C ATOM 496 CE2 PHE A 32 -17.402 16.862 -1.325 1.00 11.12 C ATOM 497 CZ PHE A 32 -17.214 17.206 -2.649 1.00 44.15 C ATOM 0 H PHE A 32 -21.730 12.445 -1.171 1.00 12.13 H new ATOM 0 HA PHE A 32 -21.520 15.234 -0.851 1.00 23.12 H new ATOM 0 HB2 PHE A 32 -19.640 13.656 -0.631 1.00 3.43 H new ATOM 0 HB3 PHE A 32 -19.775 13.219 -2.323 1.00 3.43 H new ATOM 0 HD1 PHE A 32 -19.293 14.978 -4.083 1.00 31.14 H new ATOM 0 HD2 PHE A 32 -18.411 15.573 0.043 1.00 44.41 H new ATOM 0 HE1 PHE A 32 -17.749 16.794 -4.676 1.00 52.34 H new ATOM 0 HE2 PHE A 32 -16.871 17.392 -0.548 1.00 11.12 H new ATOM 0 HZ PHE A 32 -16.535 18.005 -2.909 1.00 44.15 H new ATOM 507 N GLY A 33 -21.938 14.172 -3.951 1.00 35.12 N ATOM 508 CA GLY A 33 -22.300 14.619 -5.284 1.00 32.10 C ATOM 509 C GLY A 33 -23.593 15.410 -5.299 1.00 41.43 C ATOM 510 O GLY A 33 -23.719 16.395 -6.027 1.00 22.03 O ATOM 0 H GLY A 33 -21.845 13.161 -3.848 1.00 35.12 H new ATOM 0 HA2 GLY A 33 -21.496 15.235 -5.688 1.00 32.10 H new ATOM 0 HA3 GLY A 33 -22.399 13.754 -5.940 1.00 32.10 H new ATOM 514 N LYS A 34 -24.559 14.979 -4.495 1.00 64.22 N ATOM 515 CA LYS A 34 -25.850 15.653 -4.418 1.00 23.14 C ATOM 516 C LYS A 34 -25.668 17.152 -4.208 1.00 14.11 C ATOM 517 O LYS A 34 -26.500 17.955 -4.635 1.00 63.43 O ATOM 518 CB LYS A 34 -26.688 15.065 -3.281 1.00 73.02 C ATOM 519 CG LYS A 34 -27.545 13.884 -3.704 1.00 42.25 C ATOM 520 CD LYS A 34 -28.380 13.359 -2.549 1.00 75.42 C ATOM 521 CE LYS A 34 -29.175 12.126 -2.952 1.00 0.12 C ATOM 522 NZ LYS A 34 -29.910 11.538 -1.797 1.00 40.33 N ATOM 0 H LYS A 34 -24.472 14.165 -3.887 1.00 64.22 H new ATOM 0 HA LYS A 34 -26.371 15.497 -5.363 1.00 23.14 H new ATOM 0 HB2 LYS A 34 -26.023 14.751 -2.476 1.00 73.02 H new ATOM 0 HB3 LYS A 34 -27.333 15.845 -2.876 1.00 73.02 H new ATOM 0 HG2 LYS A 34 -28.201 14.184 -4.522 1.00 42.25 H new ATOM 0 HG3 LYS A 34 -26.906 13.087 -4.084 1.00 42.25 H new ATOM 0 HD2 LYS A 34 -27.729 13.115 -1.709 1.00 75.42 H new ATOM 0 HD3 LYS A 34 -29.062 14.138 -2.208 1.00 75.42 H new ATOM 0 HE2 LYS A 34 -29.884 12.391 -3.737 1.00 0.12 H new ATOM 0 HE3 LYS A 34 -28.500 11.380 -3.371 1.00 0.12 H new ATOM 0 HZ1 LYS A 34 -30.439 10.700 -2.112 1.00 40.33 H new ATOM 0 HZ2 LYS A 34 -29.232 11.261 -1.058 1.00 40.33 H new ATOM 0 HZ3 LYS A 34 -30.573 12.241 -1.413 1.00 40.33 H new ATOM 536 N LEU A 35 -24.577 17.525 -3.547 1.00 54.55 N ATOM 537 CA LEU A 35 -24.286 18.930 -3.281 1.00 71.32 C ATOM 538 C LEU A 35 -23.352 19.502 -4.342 1.00 5.44 C ATOM 539 O LEU A 35 -23.365 20.702 -4.612 1.00 44.41 O ATOM 540 CB LEU A 35 -23.660 19.087 -1.894 1.00 51.54 C ATOM 541 CG LEU A 35 -24.254 18.216 -0.786 1.00 75.05 C ATOM 542 CD1 LEU A 35 -23.606 18.537 0.551 1.00 41.35 C ATOM 543 CD2 LEU A 35 -25.762 18.406 -0.710 1.00 0.34 C ATOM 0 H LEU A 35 -23.880 16.874 -3.186 1.00 54.55 H new ATOM 0 HA LEU A 35 -25.224 19.484 -3.314 1.00 71.32 H new ATOM 0 HB2 LEU A 35 -22.595 18.866 -1.971 1.00 51.54 H new ATOM 0 HB3 LEU A 35 -23.748 20.131 -1.594 1.00 51.54 H new ATOM 0 HG LEU A 35 -24.051 17.172 -1.023 1.00 75.05 H new ATOM 0 HD11 LEU A 35 -24.042 17.907 1.327 1.00 41.35 H new ATOM 0 HD12 LEU A 35 -22.534 18.349 0.490 1.00 41.35 H new ATOM 0 HD13 LEU A 35 -23.777 19.585 0.796 1.00 41.35 H new ATOM 0 HD21 LEU A 35 -26.168 17.779 0.084 1.00 0.34 H new ATOM 0 HD22 LEU A 35 -25.987 19.451 -0.497 1.00 0.34 H new ATOM 0 HD23 LEU A 35 -26.213 18.124 -1.662 1.00 0.34 H new ATOM 555 N ALA A 36 -22.541 18.635 -4.940 1.00 21.32 N ATOM 556 CA ALA A 36 -21.603 19.053 -5.974 1.00 10.33 C ATOM 557 C ALA A 36 -22.322 19.323 -7.290 1.00 42.45 C ATOM 558 O ALA A 36 -21.791 19.997 -8.173 1.00 44.53 O ATOM 559 CB ALA A 36 -20.524 17.997 -6.165 1.00 41.22 C ATOM 0 H ALA A 36 -22.515 17.638 -4.726 1.00 21.32 H new ATOM 0 HA ALA A 36 -21.133 19.982 -5.651 1.00 10.33 H new ATOM 0 HB1 ALA A 36 -19.830 18.322 -6.940 1.00 41.22 H new ATOM 0 HB2 ALA A 36 -19.983 17.856 -5.229 1.00 41.22 H new ATOM 0 HB3 ALA A 36 -20.985 17.055 -6.462 1.00 41.22 H new ATOM 565 N LYS A 37 -23.533 18.791 -7.418 1.00 4.20 N ATOM 566 CA LYS A 37 -24.326 18.975 -8.627 1.00 50.54 C ATOM 567 C LYS A 37 -25.062 20.311 -8.599 1.00 22.04 C ATOM 568 O LYS A 37 -25.805 20.640 -9.522 1.00 50.12 O ATOM 569 CB LYS A 37 -25.331 17.831 -8.782 1.00 1.30 C ATOM 570 CG LYS A 37 -25.530 17.387 -10.221 1.00 34.23 C ATOM 571 CD LYS A 37 -26.927 16.830 -10.444 1.00 10.51 C ATOM 572 CE LYS A 37 -26.950 15.315 -10.318 1.00 5.32 C ATOM 573 NZ LYS A 37 -26.427 14.648 -11.542 1.00 30.23 N ATOM 0 H LYS A 37 -23.987 18.228 -6.698 1.00 4.20 H new ATOM 0 HA LYS A 37 -23.647 18.973 -9.479 1.00 50.54 H new ATOM 0 HB2 LYS A 37 -24.993 16.979 -8.191 1.00 1.30 H new ATOM 0 HB3 LYS A 37 -26.291 18.144 -8.371 1.00 1.30 H new ATOM 0 HG2 LYS A 37 -25.363 18.231 -10.890 1.00 34.23 H new ATOM 0 HG3 LYS A 37 -24.790 16.628 -10.474 1.00 34.23 H new ATOM 0 HD2 LYS A 37 -27.614 17.267 -9.719 1.00 10.51 H new ATOM 0 HD3 LYS A 37 -27.281 17.119 -11.433 1.00 10.51 H new ATOM 0 HE2 LYS A 37 -26.353 15.013 -9.457 1.00 5.32 H new ATOM 0 HE3 LYS A 37 -27.971 14.982 -10.131 1.00 5.32 H new ATOM 0 HZ1 LYS A 37 -26.459 13.616 -11.416 1.00 30.23 H new ATOM 0 HZ2 LYS A 37 -27.011 14.915 -12.360 1.00 30.23 H new ATOM 0 HZ3 LYS A 37 -25.444 14.946 -11.707 1.00 30.23 H new ATOM 587 N GLU A 38 -24.846 21.077 -7.533 1.00 72.25 N ATOM 588 CA GLU A 38 -25.489 22.377 -7.386 1.00 14.32 C ATOM 589 C GLU A 38 -24.493 23.425 -6.897 1.00 65.25 C ATOM 590 O GLU A 38 -24.306 24.464 -7.532 1.00 51.21 O ATOM 591 CB GLU A 38 -26.665 22.283 -6.411 1.00 23.30 C ATOM 592 CG GLU A 38 -27.554 21.074 -6.645 1.00 62.24 C ATOM 593 CD GLU A 38 -29.000 21.330 -6.269 1.00 51.34 C ATOM 594 OE1 GLU A 38 -29.286 21.458 -5.060 1.00 3.30 O ATOM 595 OE2 GLU A 38 -29.847 21.404 -7.184 1.00 30.02 O ATOM 0 H GLU A 38 -24.232 20.820 -6.760 1.00 72.25 H new ATOM 0 HA GLU A 38 -25.861 22.681 -8.364 1.00 14.32 H new ATOM 0 HB2 GLU A 38 -26.279 22.248 -5.392 1.00 23.30 H new ATOM 0 HB3 GLU A 38 -27.267 23.188 -6.493 1.00 23.30 H new ATOM 0 HG2 GLU A 38 -27.501 20.787 -7.695 1.00 62.24 H new ATOM 0 HG3 GLU A 38 -27.176 20.232 -6.065 1.00 62.24 H new ATOM 602 N LEU A 39 -23.855 23.144 -5.767 1.00 14.24 N ATOM 603 CA LEU A 39 -22.878 24.062 -5.192 1.00 22.31 C ATOM 604 C LEU A 39 -21.735 24.321 -6.167 1.00 45.31 C ATOM 605 O LEU A 39 -21.387 25.470 -6.441 1.00 74.31 O ATOM 606 CB LEU A 39 -22.326 23.495 -3.882 1.00 41.33 C ATOM 607 CG LEU A 39 -23.332 23.344 -2.740 1.00 21.12 C ATOM 608 CD1 LEU A 39 -22.630 22.900 -1.465 1.00 42.14 C ATOM 609 CD2 LEU A 39 -24.079 24.650 -2.511 1.00 63.22 C ATOM 0 H LEU A 39 -23.996 22.288 -5.230 1.00 14.24 H new ATOM 0 HA LEU A 39 -23.380 25.008 -4.989 1.00 22.31 H new ATOM 0 HB2 LEU A 39 -21.890 22.517 -4.087 1.00 41.33 H new ATOM 0 HB3 LEU A 39 -21.516 24.140 -3.543 1.00 41.33 H new ATOM 0 HG LEU A 39 -24.056 22.578 -3.018 1.00 21.12 H new ATOM 0 HD11 LEU A 39 -23.362 22.798 -0.663 1.00 42.14 H new ATOM 0 HD12 LEU A 39 -22.141 21.941 -1.634 1.00 42.14 H new ATOM 0 HD13 LEU A 39 -21.884 23.643 -1.183 1.00 42.14 H new ATOM 0 HD21 LEU A 39 -24.791 24.524 -1.695 1.00 63.22 H new ATOM 0 HD22 LEU A 39 -23.368 25.436 -2.255 1.00 63.22 H new ATOM 0 HD23 LEU A 39 -24.614 24.927 -3.419 1.00 63.22 H new ATOM 621 N SER A 40 -21.155 23.246 -6.691 1.00 30.41 N ATOM 622 CA SER A 40 -20.050 23.356 -7.636 1.00 43.53 C ATOM 623 C SER A 40 -20.393 24.327 -8.762 1.00 72.11 C ATOM 624 O SER A 40 -21.176 24.005 -9.656 1.00 14.53 O ATOM 625 CB SER A 40 -19.708 21.983 -8.217 1.00 52.55 C ATOM 626 OG SER A 40 -18.334 21.899 -8.552 1.00 32.34 O ATOM 0 H SER A 40 -21.432 22.288 -6.477 1.00 30.41 H new ATOM 0 HA SER A 40 -19.183 23.741 -7.099 1.00 43.53 H new ATOM 0 HB2 SER A 40 -19.957 21.206 -7.494 1.00 52.55 H new ATOM 0 HB3 SER A 40 -20.314 21.799 -9.104 1.00 52.55 H new ATOM 0 HG SER A 40 -18.106 20.971 -8.768 1.00 32.34 H new ATOM 632 N ILE A 41 -19.801 25.516 -8.711 1.00 33.01 N ATOM 633 CA ILE A 41 -20.043 26.533 -9.726 1.00 3.31 C ATOM 634 C ILE A 41 -19.261 26.235 -11.001 1.00 21.30 C ATOM 635 O ILE A 41 -19.629 26.683 -12.087 1.00 1.12 O ATOM 636 CB ILE A 41 -19.660 27.937 -9.219 1.00 70.43 C ATOM 637 CG1 ILE A 41 -18.215 27.945 -8.715 1.00 73.42 C ATOM 638 CG2 ILE A 41 -20.613 28.380 -8.119 1.00 70.02 C ATOM 639 CD1 ILE A 41 -17.415 29.136 -9.193 1.00 14.12 C ATOM 0 H ILE A 41 -19.151 25.798 -7.978 1.00 33.01 H new ATOM 0 HA ILE A 41 -21.111 26.513 -9.944 1.00 3.31 H new ATOM 0 HB ILE A 41 -19.739 28.641 -10.047 1.00 70.43 H new ATOM 0 HG12 ILE A 41 -18.219 27.934 -7.625 1.00 73.42 H new ATOM 0 HG13 ILE A 41 -17.720 27.030 -9.041 1.00 73.42 H new ATOM 0 HG21 ILE A 41 -20.330 29.373 -7.771 1.00 70.02 H new ATOM 0 HG22 ILE A 41 -21.631 28.408 -8.509 1.00 70.02 H new ATOM 0 HG23 ILE A 41 -20.562 27.676 -7.288 1.00 70.02 H new ATOM 0 HD11 ILE A 41 -16.401 29.076 -8.797 1.00 14.12 H new ATOM 0 HD12 ILE A 41 -17.380 29.137 -10.282 1.00 14.12 H new ATOM 0 HD13 ILE A 41 -17.887 30.055 -8.844 1.00 14.12 H new ATOM 651 N ASP A 42 -18.181 25.473 -10.862 1.00 14.14 N ATOM 652 CA ASP A 42 -17.348 25.112 -12.002 1.00 72.15 C ATOM 653 C ASP A 42 -18.141 24.295 -13.017 1.00 14.30 C ATOM 654 O ASP A 42 -18.555 23.170 -12.737 1.00 70.43 O ATOM 655 CB ASP A 42 -16.125 24.320 -11.537 1.00 22.24 C ATOM 656 CG ASP A 42 -15.148 24.048 -12.663 1.00 74.35 C ATOM 657 OD1 ASP A 42 -15.447 24.434 -13.813 1.00 10.52 O ATOM 658 OD2 ASP A 42 -14.086 23.448 -12.397 1.00 30.13 O ATOM 0 H ASP A 42 -17.863 25.094 -9.970 1.00 14.14 H new ATOM 0 HA ASP A 42 -17.015 26.032 -12.482 1.00 72.15 H new ATOM 0 HB2 ASP A 42 -15.618 24.872 -10.746 1.00 22.24 H new ATOM 0 HB3 ASP A 42 -16.451 23.373 -11.107 1.00 22.24 H new ATOM 663 N SER A 43 -18.352 24.871 -14.197 1.00 71.11 N ATOM 664 CA SER A 43 -19.100 24.198 -15.253 1.00 41.51 C ATOM 665 C SER A 43 -18.550 22.797 -15.501 1.00 10.30 C ATOM 666 O SER A 43 -19.303 21.860 -15.761 1.00 70.45 O ATOM 667 CB SER A 43 -19.047 25.016 -16.544 1.00 61.35 C ATOM 668 OG SER A 43 -20.144 24.710 -17.388 1.00 11.21 O ATOM 0 H SER A 43 -18.016 25.801 -14.445 1.00 71.11 H new ATOM 0 HA SER A 43 -20.137 24.109 -14.930 1.00 41.51 H new ATOM 0 HB2 SER A 43 -19.054 26.079 -16.305 1.00 61.35 H new ATOM 0 HB3 SER A 43 -18.113 24.813 -17.068 1.00 61.35 H new ATOM 0 HG SER A 43 -20.087 25.247 -18.206 1.00 11.21 H new ATOM 674 N GLY A 44 -17.230 22.663 -15.418 1.00 1.31 N ATOM 675 CA GLY A 44 -16.600 21.374 -15.635 1.00 54.11 C ATOM 676 C GLY A 44 -16.431 20.587 -14.351 1.00 30.41 C ATOM 677 O GLY A 44 -15.385 19.982 -14.119 1.00 64.02 O ATOM 0 H GLY A 44 -16.586 23.424 -15.204 1.00 1.31 H new ATOM 0 HA2 GLY A 44 -17.199 20.794 -16.337 1.00 54.11 H new ATOM 0 HA3 GLY A 44 -15.624 21.523 -16.097 1.00 54.11 H new ATOM 681 N SER A 45 -17.463 20.595 -13.513 1.00 72.22 N ATOM 682 CA SER A 45 -17.422 19.881 -12.243 1.00 33.33 C ATOM 683 C SER A 45 -18.832 19.562 -11.753 1.00 63.11 C ATOM 684 O SER A 45 -19.105 18.453 -11.296 1.00 13.10 O ATOM 685 CB SER A 45 -16.680 20.709 -11.192 1.00 21.42 C ATOM 686 OG SER A 45 -15.539 21.337 -11.751 1.00 25.32 O ATOM 0 H SER A 45 -18.338 21.088 -13.691 1.00 72.22 H new ATOM 0 HA SER A 45 -16.889 18.943 -12.399 1.00 33.33 H new ATOM 0 HB2 SER A 45 -17.350 21.464 -10.780 1.00 21.42 H new ATOM 0 HB3 SER A 45 -16.377 20.066 -10.365 1.00 21.42 H new ATOM 0 HG SER A 45 -15.013 21.755 -11.037 1.00 25.32 H new ATOM 692 N ALA A 46 -19.722 20.544 -11.851 1.00 42.54 N ATOM 693 CA ALA A 46 -21.103 20.369 -11.421 1.00 25.01 C ATOM 694 C ALA A 46 -21.815 19.321 -12.271 1.00 3.14 C ATOM 695 O ALA A 46 -22.890 18.840 -11.911 1.00 44.42 O ATOM 696 CB ALA A 46 -21.847 21.695 -11.483 1.00 5.44 C ATOM 0 H ALA A 46 -19.511 21.469 -12.225 1.00 42.54 H new ATOM 0 HA ALA A 46 -21.094 20.017 -10.389 1.00 25.01 H new ATOM 0 HB1 ALA A 46 -22.878 21.549 -11.159 1.00 5.44 H new ATOM 0 HB2 ALA A 46 -21.359 22.417 -10.828 1.00 5.44 H new ATOM 0 HB3 ALA A 46 -21.838 22.070 -12.506 1.00 5.44 H new ATOM 702 N LYS A 47 -21.208 18.971 -13.400 1.00 50.32 N ATOM 703 CA LYS A 47 -21.783 17.980 -14.302 1.00 30.02 C ATOM 704 C LYS A 47 -21.320 16.574 -13.931 1.00 1.21 C ATOM 705 O LYS A 47 -21.938 15.583 -14.319 1.00 52.45 O ATOM 706 CB LYS A 47 -21.395 18.290 -15.748 1.00 50.44 C ATOM 707 CG LYS A 47 -22.390 17.769 -16.771 1.00 14.22 C ATOM 708 CD LYS A 47 -23.478 18.790 -17.061 1.00 43.22 C ATOM 709 CE LYS A 47 -24.057 18.607 -18.456 1.00 24.24 C ATOM 710 NZ LYS A 47 -25.421 19.191 -18.571 1.00 70.44 N ATOM 0 H LYS A 47 -20.318 19.359 -13.712 1.00 50.32 H new ATOM 0 HA LYS A 47 -22.868 18.024 -14.206 1.00 30.02 H new ATOM 0 HB2 LYS A 47 -21.298 19.369 -15.866 1.00 50.44 H new ATOM 0 HB3 LYS A 47 -20.416 17.857 -15.953 1.00 50.44 H new ATOM 0 HG2 LYS A 47 -21.867 17.521 -17.695 1.00 14.22 H new ATOM 0 HG3 LYS A 47 -22.843 16.848 -16.403 1.00 14.22 H new ATOM 0 HD2 LYS A 47 -24.273 18.696 -16.321 1.00 43.22 H new ATOM 0 HD3 LYS A 47 -23.069 19.796 -16.965 1.00 43.22 H new ATOM 0 HE2 LYS A 47 -23.398 19.076 -19.187 1.00 24.24 H new ATOM 0 HE3 LYS A 47 -24.095 17.545 -18.697 1.00 24.24 H new ATOM 0 HZ1 LYS A 47 -25.781 19.046 -19.536 1.00 70.44 H new ATOM 0 HZ2 LYS A 47 -26.056 18.726 -17.891 1.00 70.44 H new ATOM 0 HZ3 LYS A 47 -25.381 20.210 -18.366 1.00 70.44 H new ATOM 724 N LYS A 48 -20.230 16.496 -13.175 1.00 30.30 N ATOM 725 CA LYS A 48 -19.685 15.212 -12.749 1.00 2.30 C ATOM 726 C LYS A 48 -19.698 15.093 -11.228 1.00 71.04 C ATOM 727 O LYS A 48 -18.879 14.386 -10.644 1.00 62.14 O ATOM 728 CB LYS A 48 -18.257 15.043 -13.272 1.00 23.41 C ATOM 729 CG LYS A 48 -17.414 16.301 -13.159 1.00 10.51 C ATOM 730 CD LYS A 48 -17.466 17.124 -14.435 1.00 74.42 C ATOM 731 CE LYS A 48 -16.426 16.656 -15.442 1.00 12.41 C ATOM 732 NZ LYS A 48 -15.057 17.117 -15.080 1.00 34.03 N ATOM 0 H LYS A 48 -19.707 17.307 -12.845 1.00 30.30 H new ATOM 0 HA LYS A 48 -20.313 14.423 -13.163 1.00 2.30 H new ATOM 0 HB2 LYS A 48 -17.770 14.239 -12.720 1.00 23.41 H new ATOM 0 HB3 LYS A 48 -18.296 14.735 -14.317 1.00 23.41 H new ATOM 0 HG2 LYS A 48 -17.768 16.903 -12.322 1.00 10.51 H new ATOM 0 HG3 LYS A 48 -16.381 16.029 -12.942 1.00 10.51 H new ATOM 0 HD2 LYS A 48 -18.460 17.051 -14.876 1.00 74.42 H new ATOM 0 HD3 LYS A 48 -17.298 18.175 -14.199 1.00 74.42 H new ATOM 0 HE2 LYS A 48 -16.440 15.568 -15.499 1.00 12.41 H new ATOM 0 HE3 LYS A 48 -16.685 17.030 -16.432 1.00 12.41 H new ATOM 0 HZ1 LYS A 48 -14.442 17.069 -15.917 1.00 34.03 H new ATOM 0 HZ2 LYS A 48 -15.100 18.098 -14.738 1.00 34.03 H new ATOM 0 HZ3 LYS A 48 -14.672 16.506 -14.331 1.00 34.03 H new ATOM 746 N ASN A 49 -20.636 15.789 -10.594 1.00 33.12 N ATOM 747 CA ASN A 49 -20.757 15.760 -9.141 1.00 32.04 C ATOM 748 C ASN A 49 -19.414 16.047 -8.477 1.00 10.41 C ATOM 749 O ASN A 49 -19.120 15.534 -7.398 1.00 41.32 O ATOM 750 CB ASN A 49 -21.287 14.401 -8.679 1.00 61.02 C ATOM 751 CG ASN A 49 -22.745 14.195 -9.041 1.00 30.01 C ATOM 752 OD1 ASN A 49 -23.074 13.365 -9.888 1.00 54.22 O ATOM 753 ND2 ASN A 49 -23.626 14.953 -8.399 1.00 11.54 N ATOM 0 H ASN A 49 -21.323 16.379 -11.063 1.00 33.12 H new ATOM 0 HA ASN A 49 -21.462 16.537 -8.845 1.00 32.04 H new ATOM 0 HB2 ASN A 49 -20.688 13.609 -9.129 1.00 61.02 H new ATOM 0 HB3 ASN A 49 -21.168 14.316 -7.599 1.00 61.02 H new ATOM 0 HD21 ASN A 49 -24.622 14.860 -8.601 1.00 11.54 H new ATOM 0 HD22 ASN A 49 -23.307 15.628 -7.704 1.00 11.54 H new ATOM 760 N GLY A 50 -18.601 16.872 -9.130 1.00 41.55 N ATOM 761 CA GLY A 50 -17.299 17.214 -8.590 1.00 4.33 C ATOM 762 C GLY A 50 -16.481 15.990 -8.229 1.00 21.30 C ATOM 763 O GLY A 50 -15.626 16.043 -7.347 1.00 44.51 O ATOM 0 H GLY A 50 -18.822 17.310 -10.024 1.00 41.55 H new ATOM 0 HA2 GLY A 50 -16.752 17.811 -9.320 1.00 4.33 H new ATOM 0 HA3 GLY A 50 -17.428 17.835 -7.704 1.00 4.33 H new ATOM 767 N ASN A 51 -16.745 14.881 -8.914 1.00 32.42 N ATOM 768 CA ASN A 51 -16.029 13.636 -8.659 1.00 61.01 C ATOM 769 C ASN A 51 -14.943 13.410 -9.707 1.00 21.23 C ATOM 770 O ASN A 51 -15.139 12.667 -10.669 1.00 61.44 O ATOM 771 CB ASN A 51 -17.002 12.456 -8.654 1.00 30.40 C ATOM 772 CG ASN A 51 -16.528 11.321 -7.766 1.00 34.21 C ATOM 773 OD1 ASN A 51 -17.174 10.985 -6.773 1.00 23.32 O ATOM 774 ND2 ASN A 51 -15.396 10.725 -8.120 1.00 50.22 N ATOM 0 H ASN A 51 -17.449 14.820 -9.649 1.00 32.42 H new ATOM 0 HA ASN A 51 -15.555 13.711 -7.680 1.00 61.01 H new ATOM 0 HB2 ASN A 51 -17.980 12.796 -8.314 1.00 30.40 H new ATOM 0 HB3 ASN A 51 -17.129 12.089 -9.672 1.00 30.40 H new ATOM 0 HD21 ASN A 51 -15.028 9.955 -7.561 1.00 50.22 H new ATOM 0 HD22 ASN A 51 -14.894 11.037 -8.951 1.00 50.22 H new ATOM 781 N LEU A 52 -13.798 14.056 -9.513 1.00 34.41 N ATOM 782 CA LEU A 52 -12.680 13.924 -10.439 1.00 42.15 C ATOM 783 C LEU A 52 -12.097 12.515 -10.394 1.00 43.45 C ATOM 784 O LEU A 52 -11.306 12.132 -11.256 1.00 4.54 O ATOM 785 CB LEU A 52 -11.593 14.948 -10.107 1.00 53.42 C ATOM 786 CG LEU A 52 -11.088 14.946 -8.663 1.00 62.05 C ATOM 787 CD1 LEU A 52 -9.953 13.948 -8.497 1.00 44.21 C ATOM 788 CD2 LEU A 52 -10.639 16.341 -8.253 1.00 50.15 C ATOM 0 H LEU A 52 -13.620 14.676 -8.723 1.00 34.41 H new ATOM 0 HA LEU A 52 -13.052 14.111 -11.446 1.00 42.15 H new ATOM 0 HB2 LEU A 52 -10.744 14.774 -10.768 1.00 53.42 H new ATOM 0 HB3 LEU A 52 -11.977 15.942 -10.335 1.00 53.42 H new ATOM 0 HG LEU A 52 -11.908 14.644 -8.011 1.00 62.05 H new ATOM 0 HD11 LEU A 52 -9.606 13.960 -7.464 1.00 44.21 H new ATOM 0 HD12 LEU A 52 -10.307 12.949 -8.749 1.00 44.21 H new ATOM 0 HD13 LEU A 52 -9.131 14.219 -9.159 1.00 44.21 H new ATOM 0 HD21 LEU A 52 -10.283 16.321 -7.223 1.00 50.15 H new ATOM 0 HD22 LEU A 52 -9.834 16.671 -8.909 1.00 50.15 H new ATOM 0 HD23 LEU A 52 -11.478 17.032 -8.333 1.00 50.15 H new ATOM 800 N GLY A 53 -12.496 11.747 -9.385 1.00 72.13 N ATOM 801 CA GLY A 53 -12.006 10.389 -9.248 1.00 62.45 C ATOM 802 C GLY A 53 -10.564 10.337 -8.783 1.00 11.14 C ATOM 803 O GLY A 53 -10.209 10.943 -7.772 1.00 0.32 O ATOM 0 H GLY A 53 -13.150 12.042 -8.660 1.00 72.13 H new ATOM 0 HA2 GLY A 53 -12.633 9.850 -8.538 1.00 62.45 H new ATOM 0 HA3 GLY A 53 -12.094 9.876 -10.206 1.00 62.45 H new ATOM 807 N TYR A 54 -9.732 9.610 -9.520 1.00 61.04 N ATOM 808 CA TYR A 54 -8.321 9.478 -9.175 1.00 31.31 C ATOM 809 C TYR A 54 -7.502 10.608 -9.789 1.00 45.23 C ATOM 810 O TYR A 54 -7.694 10.970 -10.951 1.00 5.34 O ATOM 811 CB TYR A 54 -7.782 8.127 -9.648 1.00 74.42 C ATOM 812 CG TYR A 54 -7.755 7.072 -8.565 1.00 53.45 C ATOM 813 CD1 TYR A 54 -8.836 6.901 -7.709 1.00 35.22 C ATOM 814 CD2 TYR A 54 -6.650 6.248 -8.397 1.00 60.03 C ATOM 815 CE1 TYR A 54 -8.816 5.939 -6.717 1.00 0.53 C ATOM 816 CE2 TYR A 54 -6.621 5.283 -7.410 1.00 33.03 C ATOM 817 CZ TYR A 54 -7.706 5.133 -6.572 1.00 33.34 C ATOM 818 OH TYR A 54 -7.682 4.173 -5.586 1.00 1.51 O ATOM 0 H TYR A 54 -10.010 9.103 -10.360 1.00 61.04 H new ATOM 0 HA TYR A 54 -8.232 9.537 -8.090 1.00 31.31 H new ATOM 0 HB2 TYR A 54 -8.395 7.770 -10.475 1.00 74.42 H new ATOM 0 HB3 TYR A 54 -6.772 8.264 -10.035 1.00 74.42 H new ATOM 0 HD1 TYR A 54 -9.706 7.530 -7.821 1.00 35.22 H new ATOM 0 HD2 TYR A 54 -5.798 6.364 -9.050 1.00 60.03 H new ATOM 0 HE1 TYR A 54 -9.664 5.819 -6.059 1.00 0.53 H new ATOM 0 HE2 TYR A 54 -5.754 4.649 -7.295 1.00 33.03 H new ATOM 0 HH TYR A 54 -6.829 3.691 -5.619 1.00 1.51 H new ATOM 828 N PHE A 55 -6.586 11.163 -9.001 1.00 52.21 N ATOM 829 CA PHE A 55 -5.736 12.254 -9.466 1.00 32.43 C ATOM 830 C PHE A 55 -4.307 12.082 -8.959 1.00 42.55 C ATOM 831 O PHE A 55 -4.000 11.131 -8.241 1.00 53.51 O ATOM 832 CB PHE A 55 -6.297 13.599 -9.001 1.00 3.42 C ATOM 833 CG PHE A 55 -5.806 14.017 -7.644 1.00 70.34 C ATOM 834 CD1 PHE A 55 -5.924 13.164 -6.558 1.00 63.35 C ATOM 835 CD2 PHE A 55 -5.228 15.261 -7.455 1.00 54.11 C ATOM 836 CE1 PHE A 55 -5.472 13.545 -5.309 1.00 33.42 C ATOM 837 CE2 PHE A 55 -4.776 15.648 -6.208 1.00 64.01 C ATOM 838 CZ PHE A 55 -4.898 14.788 -5.133 1.00 54.44 C ATOM 0 H PHE A 55 -6.413 10.875 -8.038 1.00 52.21 H new ATOM 0 HA PHE A 55 -5.721 12.233 -10.556 1.00 32.43 H new ATOM 0 HB2 PHE A 55 -6.029 14.366 -9.728 1.00 3.42 H new ATOM 0 HB3 PHE A 55 -7.385 13.543 -8.983 1.00 3.42 H new ATOM 0 HD1 PHE A 55 -6.374 12.191 -6.689 1.00 63.35 H new ATOM 0 HD2 PHE A 55 -5.129 15.937 -8.292 1.00 54.11 H new ATOM 0 HE1 PHE A 55 -5.568 12.871 -4.471 1.00 33.42 H new ATOM 0 HE2 PHE A 55 -4.328 16.621 -6.073 1.00 64.01 H new ATOM 0 HZ PHE A 55 -4.545 15.088 -4.157 1.00 54.44 H new ATOM 848 N THR A 56 -3.436 13.012 -9.340 1.00 31.30 N ATOM 849 CA THR A 56 -2.040 12.964 -8.927 1.00 44.41 C ATOM 850 C THR A 56 -1.476 14.368 -8.732 1.00 70.13 C ATOM 851 O THR A 56 -2.164 15.362 -8.961 1.00 61.03 O ATOM 852 CB THR A 56 -1.173 12.214 -9.957 1.00 33.02 C ATOM 853 OG1 THR A 56 -1.029 13.003 -11.143 1.00 3.33 O ATOM 854 CG2 THR A 56 -1.794 10.870 -10.308 1.00 54.43 C ATOM 0 H THR A 56 -3.674 13.807 -9.934 1.00 31.30 H new ATOM 0 HA THR A 56 -2.010 12.427 -7.979 1.00 44.41 H new ATOM 0 HB THR A 56 -0.191 12.040 -9.516 1.00 33.02 H new ATOM 0 HG1 THR A 56 -0.476 12.520 -11.792 1.00 3.33 H new ATOM 0 HG21 THR A 56 -1.165 10.358 -11.036 1.00 54.43 H new ATOM 0 HG22 THR A 56 -1.876 10.261 -9.408 1.00 54.43 H new ATOM 0 HG23 THR A 56 -2.786 11.027 -10.732 1.00 54.43 H new ATOM 862 N LYS A 57 -0.219 14.442 -8.309 1.00 5.13 N ATOM 863 CA LYS A 57 0.440 15.723 -8.085 1.00 41.00 C ATOM 864 C LYS A 57 0.866 16.355 -9.406 1.00 64.42 C ATOM 865 O LYS A 57 1.783 15.871 -10.069 1.00 10.43 O ATOM 866 CB LYS A 57 1.659 15.543 -7.177 1.00 74.50 C ATOM 867 CG LYS A 57 1.372 14.725 -5.930 1.00 1.45 C ATOM 868 CD LYS A 57 2.198 15.204 -4.748 1.00 34.13 C ATOM 869 CE LYS A 57 2.364 14.110 -3.704 1.00 43.31 C ATOM 870 NZ LYS A 57 3.317 13.057 -4.151 1.00 35.53 N ATOM 0 H LYS A 57 0.365 13.629 -8.114 1.00 5.13 H new ATOM 0 HA LYS A 57 -0.273 16.388 -7.597 1.00 41.00 H new ATOM 0 HB2 LYS A 57 2.455 15.060 -7.743 1.00 74.50 H new ATOM 0 HB3 LYS A 57 2.029 16.524 -6.881 1.00 74.50 H new ATOM 0 HG2 LYS A 57 0.312 14.792 -5.686 1.00 1.45 H new ATOM 0 HG3 LYS A 57 1.588 13.675 -6.125 1.00 1.45 H new ATOM 0 HD2 LYS A 57 3.179 15.528 -5.096 1.00 34.13 H new ATOM 0 HD3 LYS A 57 1.718 16.071 -4.295 1.00 34.13 H new ATOM 0 HE2 LYS A 57 2.719 14.549 -2.771 1.00 43.31 H new ATOM 0 HE3 LYS A 57 1.395 13.657 -3.495 1.00 43.31 H new ATOM 0 HZ1 LYS A 57 3.586 12.465 -3.339 1.00 35.53 H new ATOM 0 HZ2 LYS A 57 2.865 12.465 -4.877 1.00 35.53 H new ATOM 0 HZ3 LYS A 57 4.167 13.505 -4.550 1.00 35.53 H new ATOM 884 N GLY A 58 0.194 17.438 -9.784 1.00 21.24 N ATOM 885 CA GLY A 58 0.520 18.117 -11.024 1.00 53.30 C ATOM 886 C GLY A 58 -0.654 18.168 -11.982 1.00 41.21 C ATOM 887 O GLY A 58 -0.499 18.540 -13.145 1.00 63.01 O ATOM 0 H GLY A 58 -0.570 17.857 -9.254 1.00 21.24 H new ATOM 0 HA2 GLY A 58 0.849 19.132 -10.803 1.00 53.30 H new ATOM 0 HA3 GLY A 58 1.356 17.608 -11.505 1.00 53.30 H new ATOM 891 N MET A 59 -1.831 17.792 -11.495 1.00 32.04 N ATOM 892 CA MET A 59 -3.035 17.795 -12.316 1.00 73.13 C ATOM 893 C MET A 59 -4.038 18.826 -11.808 1.00 73.03 C ATOM 894 O MET A 59 -5.141 18.947 -12.339 1.00 12.10 O ATOM 895 CB MET A 59 -3.676 16.406 -12.327 1.00 11.23 C ATOM 896 CG MET A 59 -2.703 15.290 -12.672 1.00 51.51 C ATOM 897 SD MET A 59 -3.471 13.969 -13.628 1.00 34.23 S ATOM 898 CE MET A 59 -3.170 14.541 -15.298 1.00 73.01 C ATOM 0 H MET A 59 -1.977 17.481 -10.535 1.00 32.04 H new ATOM 0 HA MET A 59 -2.749 18.063 -13.333 1.00 73.13 H new ATOM 0 HB2 MET A 59 -4.111 16.208 -11.347 1.00 11.23 H new ATOM 0 HB3 MET A 59 -4.495 16.398 -13.047 1.00 11.23 H new ATOM 0 HG2 MET A 59 -1.868 15.704 -13.237 1.00 51.51 H new ATOM 0 HG3 MET A 59 -2.291 14.875 -11.752 1.00 51.51 H new ATOM 0 HE1 MET A 59 -3.588 13.827 -16.008 1.00 73.01 H new ATOM 0 HE2 MET A 59 -3.642 15.513 -15.440 1.00 73.01 H new ATOM 0 HE3 MET A 59 -2.096 14.631 -15.464 1.00 73.01 H new ATOM 908 N MET A 60 -3.646 19.567 -10.776 1.00 34.03 N ATOM 909 CA MET A 60 -4.511 20.589 -10.197 1.00 72.40 C ATOM 910 C MET A 60 -3.719 21.850 -9.869 1.00 62.04 C ATOM 911 O MET A 60 -2.562 21.989 -10.268 1.00 13.22 O ATOM 912 CB MET A 60 -5.189 20.056 -8.933 1.00 54.12 C ATOM 913 CG MET A 60 -5.904 18.730 -9.140 1.00 13.43 C ATOM 914 SD MET A 60 -7.504 18.922 -9.949 1.00 14.24 S ATOM 915 CE MET A 60 -7.669 17.331 -10.755 1.00 3.43 C ATOM 0 H MET A 60 -2.736 19.479 -10.324 1.00 34.03 H new ATOM 0 HA MET A 60 -5.275 20.842 -10.932 1.00 72.40 H new ATOM 0 HB2 MET A 60 -4.439 19.937 -8.151 1.00 54.12 H new ATOM 0 HB3 MET A 60 -5.907 20.795 -8.576 1.00 54.12 H new ATOM 0 HG2 MET A 60 -5.275 18.072 -9.740 1.00 13.43 H new ATOM 0 HG3 MET A 60 -6.045 18.243 -8.175 1.00 13.43 H new ATOM 0 HE1 MET A 60 -8.613 17.295 -11.299 1.00 3.43 H new ATOM 0 HE2 MET A 60 -6.843 17.189 -11.452 1.00 3.43 H new ATOM 0 HE3 MET A 60 -7.652 16.540 -10.005 1.00 3.43 H new ATOM 925 N VAL A 61 -4.349 22.767 -9.143 1.00 4.14 N ATOM 926 CA VAL A 61 -3.701 24.017 -8.761 1.00 54.50 C ATOM 927 C VAL A 61 -3.065 23.908 -7.381 1.00 22.24 C ATOM 928 O VAL A 61 -3.291 22.938 -6.656 1.00 2.25 O ATOM 929 CB VAL A 61 -4.701 25.189 -8.762 1.00 62.21 C ATOM 930 CG1 VAL A 61 -5.420 25.279 -10.100 1.00 25.33 C ATOM 931 CG2 VAL A 61 -5.697 25.039 -7.622 1.00 14.44 C ATOM 0 H VAL A 61 -5.307 22.669 -8.807 1.00 4.14 H new ATOM 0 HA VAL A 61 -2.924 24.210 -9.501 1.00 54.50 H new ATOM 0 HB VAL A 61 -4.147 26.116 -8.612 1.00 62.21 H new ATOM 0 HG11 VAL A 61 -6.122 26.113 -10.081 1.00 25.33 H new ATOM 0 HG12 VAL A 61 -4.691 25.437 -10.895 1.00 25.33 H new ATOM 0 HG13 VAL A 61 -5.963 24.352 -10.284 1.00 25.33 H new ATOM 0 HG21 VAL A 61 -6.396 25.875 -7.637 1.00 14.44 H new ATOM 0 HG22 VAL A 61 -6.246 24.105 -7.739 1.00 14.44 H new ATOM 0 HG23 VAL A 61 -5.163 25.029 -6.672 1.00 14.44 H new ATOM 941 N LYS A 62 -2.267 24.908 -7.022 1.00 61.11 N ATOM 942 CA LYS A 62 -1.597 24.926 -5.728 1.00 13.25 C ATOM 943 C LYS A 62 -2.611 24.850 -4.590 1.00 4.31 C ATOM 944 O LYS A 62 -2.587 23.935 -3.766 1.00 41.40 O ATOM 945 CB LYS A 62 -0.750 26.193 -5.587 1.00 22.15 C ATOM 946 CG LYS A 62 -0.636 26.693 -4.157 1.00 33.34 C ATOM 947 CD LYS A 62 0.482 27.711 -4.010 1.00 13.24 C ATOM 948 CE LYS A 62 0.447 28.384 -2.646 1.00 33.35 C ATOM 949 NZ LYS A 62 0.629 27.404 -1.539 1.00 24.35 N ATOM 0 H LYS A 62 -2.069 25.717 -7.610 1.00 61.11 H new ATOM 0 HA LYS A 62 -0.946 24.053 -5.671 1.00 13.25 H new ATOM 0 HB2 LYS A 62 0.249 25.997 -5.975 1.00 22.15 H new ATOM 0 HB3 LYS A 62 -1.183 26.980 -6.205 1.00 22.15 H new ATOM 0 HG2 LYS A 62 -1.581 27.142 -3.851 1.00 33.34 H new ATOM 0 HG3 LYS A 62 -0.453 25.851 -3.490 1.00 33.34 H new ATOM 0 HD2 LYS A 62 1.444 27.219 -4.149 1.00 13.24 H new ATOM 0 HD3 LYS A 62 0.394 28.466 -4.792 1.00 13.24 H new ATOM 0 HE2 LYS A 62 1.230 29.140 -2.594 1.00 33.35 H new ATOM 0 HE3 LYS A 62 -0.504 28.901 -2.520 1.00 33.35 H new ATOM 0 HZ1 LYS A 62 0.701 27.912 -0.634 1.00 24.35 H new ATOM 0 HZ2 LYS A 62 -0.186 26.758 -1.510 1.00 24.35 H new ATOM 0 HZ3 LYS A 62 1.499 26.857 -1.699 1.00 24.35 H new ATOM 963 N PRO A 63 -3.522 25.832 -4.541 1.00 10.21 N ATOM 964 CA PRO A 63 -4.562 25.897 -3.510 1.00 42.20 C ATOM 965 C PRO A 63 -5.609 24.800 -3.672 1.00 45.12 C ATOM 966 O PRO A 63 -6.811 25.061 -3.606 1.00 64.33 O ATOM 967 CB PRO A 63 -5.193 27.275 -3.729 1.00 43.41 C ATOM 968 CG PRO A 63 -4.934 27.587 -5.163 1.00 5.24 C ATOM 969 CD PRO A 63 -3.609 26.955 -5.491 1.00 2.44 C ATOM 0 HA PRO A 63 -4.153 25.754 -2.510 1.00 42.20 H new ATOM 0 HB2 PRO A 63 -6.261 27.260 -3.514 1.00 43.41 H new ATOM 0 HB3 PRO A 63 -4.747 28.023 -3.074 1.00 43.41 H new ATOM 0 HG2 PRO A 63 -5.725 27.188 -5.798 1.00 5.24 H new ATOM 0 HG3 PRO A 63 -4.905 28.664 -5.329 1.00 5.24 H new ATOM 0 HD2 PRO A 63 -3.573 26.611 -6.525 1.00 2.44 H new ATOM 0 HD3 PRO A 63 -2.786 27.657 -5.360 1.00 2.44 H new ATOM 977 N PHE A 64 -5.145 23.573 -3.883 1.00 51.24 N ATOM 978 CA PHE A 64 -6.041 22.436 -4.055 1.00 33.22 C ATOM 979 C PHE A 64 -5.275 21.120 -3.959 1.00 61.12 C ATOM 980 O PHE A 64 -5.559 20.287 -3.099 1.00 5.02 O ATOM 981 CB PHE A 64 -6.759 22.524 -5.404 1.00 12.21 C ATOM 982 CG PHE A 64 -7.660 21.356 -5.680 1.00 54.12 C ATOM 983 CD1 PHE A 64 -7.152 20.181 -6.212 1.00 54.31 C ATOM 984 CD2 PHE A 64 -9.017 21.431 -5.408 1.00 42.33 C ATOM 985 CE1 PHE A 64 -7.981 19.105 -6.469 1.00 30.02 C ATOM 986 CE2 PHE A 64 -9.850 20.358 -5.662 1.00 33.03 C ATOM 987 CZ PHE A 64 -9.331 19.193 -6.192 1.00 13.54 C ATOM 0 H PHE A 64 -4.153 23.341 -3.939 1.00 51.24 H new ATOM 0 HA PHE A 64 -6.781 22.465 -3.255 1.00 33.22 H new ATOM 0 HB2 PHE A 64 -7.347 23.441 -5.435 1.00 12.21 H new ATOM 0 HB3 PHE A 64 -6.016 22.595 -6.198 1.00 12.21 H new ATOM 0 HD1 PHE A 64 -6.097 20.105 -6.428 1.00 54.31 H new ATOM 0 HD2 PHE A 64 -9.428 22.339 -4.993 1.00 42.33 H new ATOM 0 HE1 PHE A 64 -7.573 18.196 -6.886 1.00 30.02 H new ATOM 0 HE2 PHE A 64 -10.906 20.430 -5.446 1.00 33.03 H new ATOM 0 HZ PHE A 64 -9.980 18.352 -6.389 1.00 13.54 H new ATOM 997 N GLU A 65 -4.304 20.941 -4.849 1.00 61.10 N ATOM 998 CA GLU A 65 -3.498 19.726 -4.865 1.00 30.22 C ATOM 999 C GLU A 65 -2.922 19.436 -3.482 1.00 32.14 C ATOM 1000 O GLU A 65 -3.013 18.315 -2.983 1.00 34.55 O ATOM 1001 CB GLU A 65 -2.364 19.853 -5.884 1.00 45.03 C ATOM 1002 CG GLU A 65 -1.392 18.687 -5.862 1.00 64.40 C ATOM 1003 CD GLU A 65 -0.189 18.911 -6.758 1.00 10.42 C ATOM 1004 OE1 GLU A 65 -0.364 19.482 -7.855 1.00 13.35 O ATOM 1005 OE2 GLU A 65 0.928 18.515 -6.362 1.00 53.13 O ATOM 0 H GLU A 65 -4.057 21.621 -5.568 1.00 61.10 H new ATOM 0 HA GLU A 65 -4.144 18.897 -5.152 1.00 30.22 H new ATOM 0 HB2 GLU A 65 -2.792 19.939 -6.883 1.00 45.03 H new ATOM 0 HB3 GLU A 65 -1.816 20.775 -5.692 1.00 45.03 H new ATOM 0 HG2 GLU A 65 -1.053 18.522 -4.840 1.00 64.40 H new ATOM 0 HG3 GLU A 65 -1.910 17.781 -6.176 1.00 64.40 H new ATOM 1012 N ASP A 66 -2.330 20.455 -2.869 1.00 33.44 N ATOM 1013 CA ASP A 66 -1.740 20.312 -1.542 1.00 62.52 C ATOM 1014 C ASP A 66 -2.760 19.761 -0.550 1.00 40.32 C ATOM 1015 O ASP A 66 -2.447 18.886 0.256 1.00 60.32 O ATOM 1016 CB ASP A 66 -1.206 21.657 -1.050 1.00 25.14 C ATOM 1017 CG ASP A 66 -0.316 21.516 0.170 1.00 73.53 C ATOM 1018 OD1 ASP A 66 0.491 20.563 0.208 1.00 44.42 O ATOM 1019 OD2 ASP A 66 -0.429 22.356 1.087 1.00 64.31 O ATOM 0 H ASP A 66 -2.246 21.389 -3.269 1.00 33.44 H new ATOM 0 HA ASP A 66 -0.912 19.606 -1.614 1.00 62.52 H new ATOM 0 HB2 ASP A 66 -0.645 22.137 -1.852 1.00 25.14 H new ATOM 0 HB3 ASP A 66 -2.044 22.312 -0.811 1.00 25.14 H new ATOM 1024 N ALA A 67 -3.981 20.281 -0.616 1.00 10.02 N ATOM 1025 CA ALA A 67 -5.048 19.842 0.276 1.00 63.52 C ATOM 1026 C ALA A 67 -6.020 18.916 -0.447 1.00 33.34 C ATOM 1027 O ALA A 67 -7.228 18.967 -0.215 1.00 71.22 O ATOM 1028 CB ALA A 67 -5.785 21.043 0.848 1.00 35.22 C ATOM 0 H ALA A 67 -4.256 21.007 -1.278 1.00 10.02 H new ATOM 0 HA ALA A 67 -4.597 19.283 1.096 1.00 63.52 H new ATOM 0 HB1 ALA A 67 -6.579 20.700 1.512 1.00 35.22 H new ATOM 0 HB2 ALA A 67 -5.087 21.665 1.408 1.00 35.22 H new ATOM 0 HB3 ALA A 67 -6.218 21.625 0.035 1.00 35.22 H new ATOM 1034 N ALA A 68 -5.486 18.072 -1.324 1.00 32.13 N ATOM 1035 CA ALA A 68 -6.307 17.134 -2.078 1.00 75.31 C ATOM 1036 C ALA A 68 -5.972 15.692 -1.713 1.00 63.11 C ATOM 1037 O ALA A 68 -6.768 14.781 -1.944 1.00 3.12 O ATOM 1038 CB ALA A 68 -6.127 17.358 -3.573 1.00 30.54 C ATOM 0 H ALA A 68 -4.488 18.019 -1.529 1.00 32.13 H new ATOM 0 HA ALA A 68 -7.350 17.313 -1.818 1.00 75.31 H new ATOM 0 HB1 ALA A 68 -6.746 16.650 -4.124 1.00 30.54 H new ATOM 0 HB2 ALA A 68 -6.425 18.375 -3.827 1.00 30.54 H new ATOM 0 HB3 ALA A 68 -5.081 17.209 -3.840 1.00 30.54 H new ATOM 1044 N PHE A 69 -4.788 15.491 -1.142 1.00 15.40 N ATOM 1045 CA PHE A 69 -4.347 14.159 -0.747 1.00 60.21 C ATOM 1046 C PHE A 69 -3.918 14.141 0.718 1.00 14.11 C ATOM 1047 O PHE A 69 -3.508 13.107 1.244 1.00 35.50 O ATOM 1048 CB PHE A 69 -3.189 13.698 -1.634 1.00 42.31 C ATOM 1049 CG PHE A 69 -2.175 14.774 -1.904 1.00 15.34 C ATOM 1050 CD1 PHE A 69 -1.474 15.360 -0.863 1.00 32.13 C ATOM 1051 CD2 PHE A 69 -1.924 15.198 -3.198 1.00 51.14 C ATOM 1052 CE1 PHE A 69 -0.542 16.351 -1.109 1.00 22.33 C ATOM 1053 CE2 PHE A 69 -0.993 16.188 -3.451 1.00 12.15 C ATOM 1054 CZ PHE A 69 -0.300 16.764 -2.404 1.00 60.11 C ATOM 0 H PHE A 69 -4.118 16.234 -0.943 1.00 15.40 H new ATOM 0 HA PHE A 69 -5.186 13.474 -0.871 1.00 60.21 H new ATOM 0 HB2 PHE A 69 -2.692 12.853 -1.158 1.00 42.31 H new ATOM 0 HB3 PHE A 69 -3.589 13.340 -2.583 1.00 42.31 H new ATOM 0 HD1 PHE A 69 -1.657 15.039 0.152 1.00 32.13 H new ATOM 0 HD2 PHE A 69 -2.462 14.750 -4.020 1.00 51.14 H new ATOM 0 HE1 PHE A 69 -0.003 16.802 -0.289 1.00 22.33 H new ATOM 0 HE2 PHE A 69 -0.808 16.510 -4.465 1.00 12.15 H new ATOM 0 HZ PHE A 69 0.430 17.536 -2.598 1.00 60.11 H new ATOM 1064 N LYS A 70 -4.017 15.294 1.371 1.00 35.30 N ATOM 1065 CA LYS A 70 -3.642 15.413 2.775 1.00 63.13 C ATOM 1066 C LYS A 70 -4.837 15.141 3.683 1.00 54.44 C ATOM 1067 O LYS A 70 -4.785 15.392 4.888 1.00 44.04 O ATOM 1068 CB LYS A 70 -3.081 16.808 3.058 1.00 64.44 C ATOM 1069 CG LYS A 70 -4.151 17.858 3.295 1.00 34.12 C ATOM 1070 CD LYS A 70 -3.547 19.242 3.465 1.00 51.13 C ATOM 1071 CE LYS A 70 -4.596 20.261 3.885 1.00 74.23 C ATOM 1072 NZ LYS A 70 -4.812 20.259 5.359 1.00 43.04 N ATOM 0 H LYS A 70 -4.354 16.160 0.950 1.00 35.30 H new ATOM 0 HA LYS A 70 -2.873 14.669 2.983 1.00 63.13 H new ATOM 0 HB2 LYS A 70 -2.432 16.759 3.933 1.00 64.44 H new ATOM 0 HB3 LYS A 70 -2.460 17.118 2.218 1.00 64.44 H new ATOM 0 HG2 LYS A 70 -4.847 17.865 2.457 1.00 34.12 H new ATOM 0 HG3 LYS A 70 -4.725 17.599 4.184 1.00 34.12 H new ATOM 0 HD2 LYS A 70 -2.755 19.205 4.213 1.00 51.13 H new ATOM 0 HD3 LYS A 70 -3.087 19.557 2.528 1.00 51.13 H new ATOM 0 HE2 LYS A 70 -4.285 21.255 3.565 1.00 74.23 H new ATOM 0 HE3 LYS A 70 -5.537 20.043 3.380 1.00 74.23 H new ATOM 0 HZ1 LYS A 70 -5.534 20.966 5.605 1.00 43.04 H new ATOM 0 HZ2 LYS A 70 -5.133 19.317 5.662 1.00 43.04 H new ATOM 0 HZ3 LYS A 70 -3.920 20.492 5.841 1.00 43.04 H new ATOM 1086 N LEU A 71 -5.912 14.625 3.099 1.00 54.12 N ATOM 1087 CA LEU A 71 -7.122 14.317 3.856 1.00 44.03 C ATOM 1088 C LEU A 71 -7.141 12.852 4.277 1.00 14.24 C ATOM 1089 O LEU A 71 -6.228 12.092 3.956 1.00 62.42 O ATOM 1090 CB LEU A 71 -8.364 14.637 3.022 1.00 22.20 C ATOM 1091 CG LEU A 71 -8.265 15.863 2.114 1.00 13.30 C ATOM 1092 CD1 LEU A 71 -9.468 15.937 1.185 1.00 62.44 C ATOM 1093 CD2 LEU A 71 -8.151 17.134 2.943 1.00 32.54 C ATOM 0 H LEU A 71 -5.972 14.411 2.104 1.00 54.12 H new ATOM 0 HA LEU A 71 -7.127 14.934 4.754 1.00 44.03 H new ATOM 0 HB2 LEU A 71 -8.595 13.770 2.404 1.00 22.20 H new ATOM 0 HB3 LEU A 71 -9.206 14.779 3.700 1.00 22.20 H new ATOM 0 HG LEU A 71 -7.366 15.769 1.505 1.00 13.30 H new ATOM 0 HD11 LEU A 71 -9.381 16.816 0.546 1.00 62.44 H new ATOM 0 HD12 LEU A 71 -9.505 15.041 0.566 1.00 62.44 H new ATOM 0 HD13 LEU A 71 -10.381 16.008 1.777 1.00 62.44 H new ATOM 0 HD21 LEU A 71 -8.082 17.996 2.280 1.00 32.54 H new ATOM 0 HD22 LEU A 71 -9.031 17.235 3.578 1.00 32.54 H new ATOM 0 HD23 LEU A 71 -7.258 17.083 3.566 1.00 32.54 H new ATOM 1105 N GLN A 72 -8.189 12.462 4.995 1.00 33.14 N ATOM 1106 CA GLN A 72 -8.328 11.087 5.460 1.00 41.41 C ATOM 1107 C GLN A 72 -9.196 10.275 4.504 1.00 41.14 C ATOM 1108 O GLN A 72 -9.596 10.762 3.447 1.00 53.21 O ATOM 1109 CB GLN A 72 -8.933 11.059 6.865 1.00 42.42 C ATOM 1110 CG GLN A 72 -7.989 11.566 7.944 1.00 61.14 C ATOM 1111 CD GLN A 72 -8.530 11.346 9.343 1.00 43.04 C ATOM 1112 OE1 GLN A 72 -9.120 12.246 9.940 1.00 22.24 O ATOM 1113 NE2 GLN A 72 -8.331 10.145 9.872 1.00 3.03 N ATOM 0 H GLN A 72 -8.954 13.079 5.267 1.00 33.14 H new ATOM 0 HA GLN A 72 -7.335 10.639 5.491 1.00 41.41 H new ATOM 0 HB2 GLN A 72 -9.840 11.664 6.873 1.00 42.42 H new ATOM 0 HB3 GLN A 72 -9.229 10.038 7.104 1.00 42.42 H new ATOM 0 HG2 GLN A 72 -7.028 11.061 7.847 1.00 61.14 H new ATOM 0 HG3 GLN A 72 -7.807 12.630 7.792 1.00 61.14 H new ATOM 0 HE21 GLN A 72 -7.836 9.429 9.340 1.00 3.03 H new ATOM 0 HE22 GLN A 72 -8.673 9.938 10.810 1.00 3.03 H new ATOM 1122 N VAL A 73 -9.483 9.034 4.882 1.00 32.33 N ATOM 1123 CA VAL A 73 -10.304 8.154 4.059 1.00 13.20 C ATOM 1124 C VAL A 73 -11.788 8.427 4.274 1.00 21.21 C ATOM 1125 O VAL A 73 -12.417 7.840 5.155 1.00 73.45 O ATOM 1126 CB VAL A 73 -10.017 6.672 4.363 1.00 22.42 C ATOM 1127 CG1 VAL A 73 -10.895 5.771 3.508 1.00 1.23 C ATOM 1128 CG2 VAL A 73 -8.545 6.358 4.143 1.00 44.32 C ATOM 0 H VAL A 73 -9.159 8.615 5.754 1.00 32.33 H new ATOM 0 HA VAL A 73 -10.046 8.361 3.020 1.00 13.20 H new ATOM 0 HB VAL A 73 -10.253 6.482 5.410 1.00 22.42 H new ATOM 0 HG11 VAL A 73 -10.678 4.728 3.737 1.00 1.23 H new ATOM 0 HG12 VAL A 73 -11.944 5.978 3.720 1.00 1.23 H new ATOM 0 HG13 VAL A 73 -10.693 5.961 2.454 1.00 1.23 H new ATOM 0 HG21 VAL A 73 -8.361 5.306 4.363 1.00 44.32 H new ATOM 0 HG22 VAL A 73 -8.280 6.564 3.106 1.00 44.32 H new ATOM 0 HG23 VAL A 73 -7.938 6.978 4.803 1.00 44.32 H new ATOM 1138 N GLY A 74 -12.343 9.322 3.464 1.00 14.31 N ATOM 1139 CA GLY A 74 -13.751 9.658 3.581 1.00 71.23 C ATOM 1140 C GLY A 74 -13.979 10.930 4.373 1.00 14.22 C ATOM 1141 O GLY A 74 -15.043 11.119 4.960 1.00 13.50 O ATOM 0 H GLY A 74 -11.843 9.821 2.728 1.00 14.31 H new ATOM 0 HA2 GLY A 74 -14.178 9.772 2.585 1.00 71.23 H new ATOM 0 HA3 GLY A 74 -14.279 8.835 4.062 1.00 71.23 H new ATOM 1145 N GLU A 75 -12.977 11.803 4.389 1.00 1.23 N ATOM 1146 CA GLU A 75 -13.074 13.063 5.118 1.00 51.04 C ATOM 1147 C GLU A 75 -13.141 14.245 4.154 1.00 20.54 C ATOM 1148 O GLU A 75 -12.658 14.167 3.024 1.00 3.04 O ATOM 1149 CB GLU A 75 -11.880 13.226 6.060 1.00 41.14 C ATOM 1150 CG GLU A 75 -12.128 14.206 7.194 1.00 55.23 C ATOM 1151 CD GLU A 75 -13.141 13.692 8.198 1.00 32.42 C ATOM 1152 OE1 GLU A 75 -12.777 12.815 9.011 1.00 51.25 O ATOM 1153 OE2 GLU A 75 -14.296 14.164 8.172 1.00 12.32 O ATOM 0 H GLU A 75 -12.090 11.662 3.906 1.00 1.23 H new ATOM 0 HA GLU A 75 -13.991 13.043 5.706 1.00 51.04 H new ATOM 0 HB2 GLU A 75 -11.625 12.253 6.481 1.00 41.14 H new ATOM 0 HB3 GLU A 75 -11.017 13.561 5.484 1.00 41.14 H new ATOM 0 HG2 GLU A 75 -11.187 14.410 7.705 1.00 55.23 H new ATOM 0 HG3 GLU A 75 -12.479 15.152 6.782 1.00 55.23 H new ATOM 1160 N VAL A 76 -13.745 15.337 4.609 1.00 12.44 N ATOM 1161 CA VAL A 76 -13.875 16.536 3.789 1.00 15.40 C ATOM 1162 C VAL A 76 -12.820 17.572 4.158 1.00 62.35 C ATOM 1163 O VAL A 76 -12.610 17.869 5.334 1.00 0.10 O ATOM 1164 CB VAL A 76 -15.272 17.168 3.939 1.00 53.54 C ATOM 1165 CG1 VAL A 76 -15.372 18.443 3.115 1.00 54.12 C ATOM 1166 CG2 VAL A 76 -16.351 16.176 3.533 1.00 32.40 C ATOM 0 H VAL A 76 -14.152 15.417 5.541 1.00 12.44 H new ATOM 0 HA VAL A 76 -13.731 16.228 2.753 1.00 15.40 H new ATOM 0 HB VAL A 76 -15.424 17.428 4.987 1.00 53.54 H new ATOM 0 HG11 VAL A 76 -16.365 18.876 3.233 1.00 54.12 H new ATOM 0 HG12 VAL A 76 -14.622 19.157 3.457 1.00 54.12 H new ATOM 0 HG13 VAL A 76 -15.200 18.211 2.064 1.00 54.12 H new ATOM 0 HG21 VAL A 76 -17.331 16.639 3.645 1.00 32.40 H new ATOM 0 HG22 VAL A 76 -16.204 15.884 2.493 1.00 32.40 H new ATOM 0 HG23 VAL A 76 -16.292 15.293 4.169 1.00 32.40 H new ATOM 1176 N SER A 77 -12.156 18.119 3.144 1.00 44.05 N ATOM 1177 CA SER A 77 -11.118 19.120 3.360 1.00 15.04 C ATOM 1178 C SER A 77 -11.725 20.439 3.828 1.00 1.31 C ATOM 1179 O SER A 77 -12.895 20.497 4.204 1.00 74.34 O ATOM 1180 CB SER A 77 -10.316 19.341 2.077 1.00 71.53 C ATOM 1181 OG SER A 77 -9.032 19.867 2.362 1.00 44.02 O ATOM 0 H SER A 77 -12.319 17.885 2.165 1.00 44.05 H new ATOM 0 HA SER A 77 -10.449 18.751 4.138 1.00 15.04 H new ATOM 0 HB2 SER A 77 -10.215 18.397 1.541 1.00 71.53 H new ATOM 0 HB3 SER A 77 -10.855 20.025 1.421 1.00 71.53 H new ATOM 0 HG SER A 77 -8.734 20.425 1.614 1.00 44.02 H new ATOM 1187 N GLU A 78 -10.919 21.497 3.801 1.00 72.34 N ATOM 1188 CA GLU A 78 -11.377 22.815 4.222 1.00 23.10 C ATOM 1189 C GLU A 78 -11.640 23.711 3.015 1.00 71.42 C ATOM 1190 O GLU A 78 -11.161 23.462 1.909 1.00 45.24 O ATOM 1191 CB GLU A 78 -10.342 23.469 5.140 1.00 22.33 C ATOM 1192 CG GLU A 78 -8.904 23.175 4.744 1.00 75.42 C ATOM 1193 CD GLU A 78 -7.899 23.854 5.652 1.00 43.01 C ATOM 1194 OE1 GLU A 78 -7.515 25.005 5.356 1.00 2.41 O ATOM 1195 OE2 GLU A 78 -7.494 23.236 6.659 1.00 22.40 O ATOM 0 H GLU A 78 -9.947 21.466 3.492 1.00 72.34 H new ATOM 0 HA GLU A 78 -12.311 22.689 4.770 1.00 23.10 H new ATOM 0 HB2 GLU A 78 -10.497 24.548 5.138 1.00 22.33 H new ATOM 0 HB3 GLU A 78 -10.506 23.125 6.161 1.00 22.33 H new ATOM 0 HG2 GLU A 78 -8.738 22.098 4.766 1.00 75.42 H new ATOM 0 HG3 GLU A 78 -8.740 23.502 3.717 1.00 75.42 H new ATOM 1202 N PRO A 79 -12.422 24.779 3.232 1.00 42.14 N ATOM 1203 CA PRO A 79 -12.768 25.734 2.174 1.00 63.24 C ATOM 1204 C PRO A 79 -11.573 26.575 1.738 1.00 21.13 C ATOM 1205 O PRO A 79 -11.371 27.685 2.230 1.00 41.11 O ATOM 1206 CB PRO A 79 -13.833 26.618 2.828 1.00 23.00 C ATOM 1207 CG PRO A 79 -13.556 26.526 4.290 1.00 50.15 C ATOM 1208 CD PRO A 79 -13.029 25.138 4.524 1.00 24.34 C ATOM 0 HA PRO A 79 -13.108 25.232 1.268 1.00 63.24 H new ATOM 0 HB2 PRO A 79 -13.764 27.647 2.476 1.00 23.00 H new ATOM 0 HB3 PRO A 79 -14.838 26.267 2.593 1.00 23.00 H new ATOM 0 HG2 PRO A 79 -12.828 27.277 4.597 1.00 50.15 H new ATOM 0 HG3 PRO A 79 -14.461 26.703 4.871 1.00 50.15 H new ATOM 0 HD2 PRO A 79 -12.297 25.117 5.331 1.00 24.34 H new ATOM 0 HD3 PRO A 79 -13.826 24.447 4.799 1.00 24.34 H new ATOM 1216 N ILE A 80 -10.784 26.038 0.814 1.00 62.33 N ATOM 1217 CA ILE A 80 -9.609 26.740 0.312 1.00 71.24 C ATOM 1218 C ILE A 80 -10.002 27.826 -0.685 1.00 31.12 C ATOM 1219 O ILE A 80 -10.431 27.534 -1.802 1.00 1.14 O ATOM 1220 CB ILE A 80 -8.620 25.772 -0.365 1.00 53.43 C ATOM 1221 CG1 ILE A 80 -8.336 24.578 0.548 1.00 4.33 C ATOM 1222 CG2 ILE A 80 -7.330 26.495 -0.720 1.00 10.34 C ATOM 1223 CD1 ILE A 80 -7.560 24.943 1.795 1.00 44.32 C ATOM 0 H ILE A 80 -10.937 25.119 0.398 1.00 62.33 H new ATOM 0 HA ILE A 80 -9.124 27.198 1.174 1.00 71.24 H new ATOM 0 HB ILE A 80 -9.070 25.401 -1.286 1.00 53.43 H new ATOM 0 HG12 ILE A 80 -9.281 24.120 0.839 1.00 4.33 H new ATOM 0 HG13 ILE A 80 -7.777 23.828 -0.011 1.00 4.33 H new ATOM 0 HG21 ILE A 80 -6.642 25.798 -1.197 1.00 10.34 H new ATOM 0 HG22 ILE A 80 -7.549 27.315 -1.404 1.00 10.34 H new ATOM 0 HG23 ILE A 80 -6.874 26.892 0.187 1.00 10.34 H new ATOM 0 HD11 ILE A 80 -7.395 24.048 2.395 1.00 44.32 H new ATOM 0 HD12 ILE A 80 -6.599 25.373 1.513 1.00 44.32 H new ATOM 0 HD13 ILE A 80 -8.127 25.670 2.376 1.00 44.32 H new ATOM 1235 N LYS A 81 -9.852 29.080 -0.274 1.00 63.03 N ATOM 1236 CA LYS A 81 -10.187 30.212 -1.131 1.00 23.42 C ATOM 1237 C LYS A 81 -9.159 30.373 -2.247 1.00 13.53 C ATOM 1238 O LYS A 81 -7.998 30.690 -1.992 1.00 5.03 O ATOM 1239 CB LYS A 81 -10.265 31.497 -0.305 1.00 11.51 C ATOM 1240 CG LYS A 81 -10.796 32.690 -1.083 1.00 25.42 C ATOM 1241 CD LYS A 81 -12.137 33.156 -0.542 1.00 24.04 C ATOM 1242 CE LYS A 81 -12.584 34.452 -1.201 1.00 61.20 C ATOM 1243 NZ LYS A 81 -12.612 34.337 -2.685 1.00 72.23 N ATOM 0 H LYS A 81 -9.500 29.339 0.648 1.00 63.03 H new ATOM 0 HA LYS A 81 -11.160 30.018 -1.583 1.00 23.42 H new ATOM 0 HB2 LYS A 81 -10.905 31.324 0.560 1.00 11.51 H new ATOM 0 HB3 LYS A 81 -9.272 31.735 0.076 1.00 11.51 H new ATOM 0 HG2 LYS A 81 -10.078 33.508 -1.031 1.00 25.42 H new ATOM 0 HG3 LYS A 81 -10.900 32.423 -2.135 1.00 25.42 H new ATOM 0 HD2 LYS A 81 -12.887 32.383 -0.711 1.00 24.04 H new ATOM 0 HD3 LYS A 81 -12.065 33.301 0.536 1.00 24.04 H new ATOM 0 HE2 LYS A 81 -13.576 34.721 -0.839 1.00 61.20 H new ATOM 0 HE3 LYS A 81 -11.910 35.258 -0.912 1.00 61.20 H new ATOM 0 HZ1 LYS A 81 -13.079 35.174 -3.089 1.00 72.23 H new ATOM 0 HZ2 LYS A 81 -11.639 34.275 -3.047 1.00 72.23 H new ATOM 0 HZ3 LYS A 81 -13.138 33.482 -2.957 1.00 72.23 H new ATOM 1257 N SER A 82 -9.596 30.155 -3.483 1.00 13.53 N ATOM 1258 CA SER A 82 -8.713 30.275 -4.637 1.00 70.11 C ATOM 1259 C SER A 82 -9.354 31.131 -5.725 1.00 70.44 C ATOM 1260 O SER A 82 -10.421 31.709 -5.525 1.00 52.50 O ATOM 1261 CB SER A 82 -8.376 28.890 -5.194 1.00 11.22 C ATOM 1262 OG SER A 82 -7.304 28.959 -6.118 1.00 73.13 O ATOM 0 H SER A 82 -10.555 29.895 -3.711 1.00 13.53 H new ATOM 0 HA SER A 82 -7.794 30.761 -4.311 1.00 70.11 H new ATOM 0 HB2 SER A 82 -8.112 28.220 -4.376 1.00 11.22 H new ATOM 0 HB3 SER A 82 -9.254 28.467 -5.682 1.00 11.22 H new ATOM 0 HG SER A 82 -7.401 28.248 -6.785 1.00 73.13 H new ATOM 1268 N GLU A 83 -8.695 31.203 -6.878 1.00 21.05 N ATOM 1269 CA GLU A 83 -9.200 31.989 -7.997 1.00 70.43 C ATOM 1270 C GLU A 83 -10.584 31.504 -8.422 1.00 63.10 C ATOM 1271 O GLU A 83 -11.371 32.260 -8.991 1.00 70.01 O ATOM 1272 CB GLU A 83 -8.235 31.909 -9.182 1.00 11.12 C ATOM 1273 CG GLU A 83 -7.981 30.491 -9.666 1.00 22.02 C ATOM 1274 CD GLU A 83 -6.585 30.308 -10.227 1.00 25.43 C ATOM 1275 OE1 GLU A 83 -6.289 30.898 -11.287 1.00 74.04 O ATOM 1276 OE2 GLU A 83 -5.787 29.573 -9.606 1.00 52.52 O ATOM 0 H GLU A 83 -7.812 30.727 -7.061 1.00 21.05 H new ATOM 0 HA GLU A 83 -9.281 33.026 -7.672 1.00 70.43 H new ATOM 0 HB2 GLU A 83 -8.636 32.499 -10.006 1.00 11.12 H new ATOM 0 HB3 GLU A 83 -7.285 32.362 -8.898 1.00 11.12 H new ATOM 0 HG2 GLU A 83 -8.130 29.797 -8.839 1.00 22.02 H new ATOM 0 HG3 GLU A 83 -8.713 30.236 -10.432 1.00 22.02 H new ATOM 1283 N PHE A 84 -10.872 30.237 -8.141 1.00 13.51 N ATOM 1284 CA PHE A 84 -12.160 29.650 -8.494 1.00 5.25 C ATOM 1285 C PHE A 84 -13.123 29.699 -7.311 1.00 32.03 C ATOM 1286 O PHE A 84 -14.334 29.561 -7.477 1.00 30.32 O ATOM 1287 CB PHE A 84 -11.975 28.204 -8.955 1.00 62.43 C ATOM 1288 CG PHE A 84 -10.847 28.025 -9.931 1.00 50.23 C ATOM 1289 CD1 PHE A 84 -10.846 28.701 -11.141 1.00 21.33 C ATOM 1290 CD2 PHE A 84 -9.787 27.182 -9.638 1.00 43.20 C ATOM 1291 CE1 PHE A 84 -9.809 28.539 -12.041 1.00 73.33 C ATOM 1292 CE2 PHE A 84 -8.747 27.017 -10.534 1.00 74.33 C ATOM 1293 CZ PHE A 84 -8.759 27.696 -11.737 1.00 62.34 C ATOM 0 H PHE A 84 -10.232 29.598 -7.670 1.00 13.51 H new ATOM 0 HA PHE A 84 -12.586 30.233 -9.311 1.00 5.25 H new ATOM 0 HB2 PHE A 84 -11.795 27.574 -8.084 1.00 62.43 H new ATOM 0 HB3 PHE A 84 -12.900 27.856 -9.414 1.00 62.43 H new ATOM 0 HD1 PHE A 84 -11.665 29.362 -11.384 1.00 21.33 H new ATOM 0 HD2 PHE A 84 -9.773 26.648 -8.699 1.00 43.20 H new ATOM 0 HE1 PHE A 84 -9.820 29.071 -12.981 1.00 73.33 H new ATOM 0 HE2 PHE A 84 -7.926 26.358 -10.294 1.00 74.33 H new ATOM 0 HZ PHE A 84 -7.948 27.567 -12.439 1.00 62.34 H new ATOM 1303 N GLY A 85 -12.574 29.897 -6.116 1.00 50.13 N ATOM 1304 CA GLY A 85 -13.397 29.960 -4.923 1.00 54.42 C ATOM 1305 C GLY A 85 -13.003 28.924 -3.890 1.00 21.30 C ATOM 1306 O GLY A 85 -11.883 28.413 -3.911 1.00 65.31 O ATOM 0 H GLY A 85 -11.574 30.015 -5.953 1.00 50.13 H new ATOM 0 HA2 GLY A 85 -13.318 30.954 -4.484 1.00 54.42 H new ATOM 0 HA3 GLY A 85 -14.442 29.815 -5.198 1.00 54.42 H new ATOM 1310 N TYR A 86 -13.924 28.612 -2.985 1.00 44.21 N ATOM 1311 CA TYR A 86 -13.664 27.632 -1.937 1.00 52.12 C ATOM 1312 C TYR A 86 -13.667 26.216 -2.504 1.00 21.03 C ATOM 1313 O TYR A 86 -14.655 25.771 -3.089 1.00 62.15 O ATOM 1314 CB TYR A 86 -14.710 27.752 -0.827 1.00 42.41 C ATOM 1315 CG TYR A 86 -14.663 29.071 -0.091 1.00 10.22 C ATOM 1316 CD1 TYR A 86 -13.542 29.440 0.642 1.00 24.13 C ATOM 1317 CD2 TYR A 86 -15.740 29.949 -0.126 1.00 31.12 C ATOM 1318 CE1 TYR A 86 -13.494 30.645 1.318 1.00 25.40 C ATOM 1319 CE2 TYR A 86 -15.700 31.155 0.545 1.00 10.12 C ATOM 1320 CZ TYR A 86 -14.575 31.499 1.266 1.00 33.20 C ATOM 1321 OH TYR A 86 -14.533 32.700 1.936 1.00 31.23 O ATOM 0 H TYR A 86 -14.857 29.023 -2.956 1.00 44.21 H new ATOM 0 HA TYR A 86 -12.677 27.835 -1.520 1.00 52.12 H new ATOM 0 HB2 TYR A 86 -15.702 27.622 -1.259 1.00 42.41 H new ATOM 0 HB3 TYR A 86 -14.564 26.942 -0.113 1.00 42.41 H new ATOM 0 HD1 TYR A 86 -12.693 28.774 0.684 1.00 24.13 H new ATOM 0 HD2 TYR A 86 -16.623 29.683 -0.688 1.00 31.12 H new ATOM 0 HE1 TYR A 86 -12.615 30.916 1.884 1.00 25.40 H new ATOM 0 HE2 TYR A 86 -16.545 31.826 0.506 1.00 10.12 H new ATOM 0 HH TYR A 86 -15.374 33.183 1.796 1.00 31.23 H new ATOM 1331 N HIS A 87 -12.554 25.511 -2.323 1.00 53.31 N ATOM 1332 CA HIS A 87 -12.427 24.144 -2.814 1.00 64.05 C ATOM 1333 C HIS A 87 -12.673 23.138 -1.694 1.00 12.24 C ATOM 1334 O HIS A 87 -12.015 23.180 -0.654 1.00 65.45 O ATOM 1335 CB HIS A 87 -11.040 23.923 -3.417 1.00 43.22 C ATOM 1336 CG HIS A 87 -10.840 24.614 -4.731 1.00 12.34 C ATOM 1337 ND1 HIS A 87 -11.033 23.993 -5.947 1.00 24.24 N ATOM 1338 CD2 HIS A 87 -10.463 25.884 -5.015 1.00 30.20 C ATOM 1339 CE1 HIS A 87 -10.782 24.848 -6.921 1.00 74.25 C ATOM 1340 NE2 HIS A 87 -10.435 26.004 -6.382 1.00 64.24 N ATOM 0 H HIS A 87 -11.728 25.864 -1.840 1.00 53.31 H new ATOM 0 HA HIS A 87 -13.180 23.991 -3.587 1.00 64.05 H new ATOM 0 HB2 HIS A 87 -10.286 24.275 -2.712 1.00 43.22 H new ATOM 0 HB3 HIS A 87 -10.877 22.853 -3.550 1.00 43.22 H new ATOM 0 HD1 HIS A 87 -11.324 23.024 -6.074 1.00 24.24 H new ATOM 0 HD2 HIS A 87 -10.228 26.658 -4.299 1.00 30.20 H new ATOM 0 HE1 HIS A 87 -10.849 24.639 -7.978 1.00 74.25 H new ATOM 1348 N ILE A 88 -13.627 22.239 -1.912 1.00 42.14 N ATOM 1349 CA ILE A 88 -13.959 21.223 -0.920 1.00 1.43 C ATOM 1350 C ILE A 88 -13.606 19.827 -1.422 1.00 43.33 C ATOM 1351 O ILE A 88 -14.445 19.132 -1.994 1.00 22.13 O ATOM 1352 CB ILE A 88 -15.455 21.261 -0.555 1.00 2.40 C ATOM 1353 CG1 ILE A 88 -15.835 22.641 -0.014 1.00 43.31 C ATOM 1354 CG2 ILE A 88 -15.779 20.180 0.464 1.00 34.33 C ATOM 1355 CD1 ILE A 88 -15.051 23.047 1.214 1.00 22.20 C ATOM 0 H ILE A 88 -14.183 22.193 -2.766 1.00 42.14 H new ATOM 0 HA ILE A 88 -13.370 21.446 -0.031 1.00 1.43 H new ATOM 0 HB ILE A 88 -16.039 21.071 -1.456 1.00 2.40 H new ATOM 0 HG12 ILE A 88 -15.679 23.384 -0.796 1.00 43.31 H new ATOM 0 HG13 ILE A 88 -16.898 22.648 0.225 1.00 43.31 H new ATOM 0 HG21 ILE A 88 -16.840 20.220 0.712 1.00 34.33 H new ATOM 0 HG22 ILE A 88 -15.541 19.202 0.045 1.00 34.33 H new ATOM 0 HG23 ILE A 88 -15.189 20.342 1.366 1.00 34.33 H new ATOM 0 HD11 ILE A 88 -15.374 24.035 1.541 1.00 22.20 H new ATOM 0 HD12 ILE A 88 -15.226 22.326 2.012 1.00 22.20 H new ATOM 0 HD13 ILE A 88 -13.988 23.073 0.975 1.00 22.20 H new ATOM 1367 N ILE A 89 -12.359 19.425 -1.203 1.00 43.11 N ATOM 1368 CA ILE A 89 -11.894 18.111 -1.631 1.00 35.43 C ATOM 1369 C ILE A 89 -12.262 17.039 -0.610 1.00 71.23 C ATOM 1370 O ILE A 89 -12.009 17.191 0.585 1.00 13.23 O ATOM 1371 CB ILE A 89 -10.370 18.095 -1.848 1.00 63.43 C ATOM 1372 CG1 ILE A 89 -9.932 19.333 -2.633 1.00 53.55 C ATOM 1373 CG2 ILE A 89 -9.952 16.825 -2.575 1.00 43.41 C ATOM 1374 CD1 ILE A 89 -9.214 20.361 -1.788 1.00 45.42 C ATOM 0 H ILE A 89 -11.652 19.990 -0.732 1.00 43.11 H new ATOM 0 HA ILE A 89 -12.389 17.894 -2.578 1.00 35.43 H new ATOM 0 HB ILE A 89 -9.879 18.112 -0.875 1.00 63.43 H new ATOM 0 HG12 ILE A 89 -9.278 19.024 -3.448 1.00 53.55 H new ATOM 0 HG13 ILE A 89 -10.809 19.795 -3.086 1.00 53.55 H new ATOM 0 HG21 ILE A 89 -8.872 16.828 -2.721 1.00 43.41 H new ATOM 0 HG22 ILE A 89 -10.235 15.956 -1.981 1.00 43.41 H new ATOM 0 HG23 ILE A 89 -10.449 16.780 -3.544 1.00 43.41 H new ATOM 0 HD11 ILE A 89 -8.933 21.211 -2.410 1.00 45.42 H new ATOM 0 HD12 ILE A 89 -9.873 20.699 -0.988 1.00 45.42 H new ATOM 0 HD13 ILE A 89 -8.318 19.915 -1.356 1.00 45.42 H new ATOM 1386 N LYS A 90 -12.859 15.953 -1.089 1.00 13.41 N ATOM 1387 CA LYS A 90 -13.260 14.853 -0.220 1.00 63.42 C ATOM 1388 C LYS A 90 -12.772 13.517 -0.774 1.00 52.35 C ATOM 1389 O LYS A 90 -13.024 13.187 -1.933 1.00 63.02 O ATOM 1390 CB LYS A 90 -14.782 14.828 -0.063 1.00 22.31 C ATOM 1391 CG LYS A 90 -15.285 13.686 0.803 1.00 23.40 C ATOM 1392 CD LYS A 90 -16.725 13.330 0.475 1.00 72.34 C ATOM 1393 CE LYS A 90 -17.118 11.988 1.073 1.00 12.51 C ATOM 1394 NZ LYS A 90 -18.595 11.851 1.207 1.00 11.13 N ATOM 0 H LYS A 90 -13.076 15.811 -2.075 1.00 13.41 H new ATOM 0 HA LYS A 90 -12.804 15.010 0.757 1.00 63.42 H new ATOM 0 HB2 LYS A 90 -15.110 15.773 0.370 1.00 22.31 H new ATOM 0 HB3 LYS A 90 -15.240 14.754 -1.050 1.00 22.31 H new ATOM 0 HG2 LYS A 90 -14.651 12.811 0.658 1.00 23.40 H new ATOM 0 HG3 LYS A 90 -15.208 13.964 1.854 1.00 23.40 H new ATOM 0 HD2 LYS A 90 -17.388 14.107 0.855 1.00 72.34 H new ATOM 0 HD3 LYS A 90 -16.856 13.300 -0.607 1.00 72.34 H new ATOM 0 HE2 LYS A 90 -16.734 11.184 0.445 1.00 12.51 H new ATOM 0 HE3 LYS A 90 -16.653 11.877 2.052 1.00 12.51 H new ATOM 0 HZ1 LYS A 90 -18.816 10.995 1.754 1.00 11.13 H new ATOM 0 HZ2 LYS A 90 -18.978 12.684 1.698 1.00 11.13 H new ATOM 0 HZ3 LYS A 90 -19.024 11.778 0.262 1.00 11.13 H new ATOM 1408 N ARG A 91 -12.077 12.753 0.062 1.00 54.35 N ATOM 1409 CA ARG A 91 -11.556 11.454 -0.345 1.00 12.12 C ATOM 1410 C ARG A 91 -12.668 10.410 -0.382 1.00 71.14 C ATOM 1411 O ARG A 91 -13.603 10.455 0.417 1.00 34.14 O ATOM 1412 CB ARG A 91 -10.450 11.003 0.612 1.00 60.43 C ATOM 1413 CG ARG A 91 -9.886 9.630 0.285 1.00 41.03 C ATOM 1414 CD ARG A 91 -8.441 9.498 0.741 1.00 13.24 C ATOM 1415 NE ARG A 91 -8.041 8.103 0.897 1.00 62.53 N ATOM 1416 CZ ARG A 91 -6.777 7.696 0.901 1.00 42.24 C ATOM 1417 NH1 ARG A 91 -5.794 8.576 0.759 1.00 62.51 N ATOM 1418 NH2 ARG A 91 -6.492 6.408 1.046 1.00 31.12 N ATOM 0 H ARG A 91 -11.862 13.011 1.025 1.00 54.35 H new ATOM 0 HA ARG A 91 -11.142 11.554 -1.348 1.00 12.12 H new ATOM 0 HB2 ARG A 91 -9.641 11.734 0.590 1.00 60.43 H new ATOM 0 HB3 ARG A 91 -10.843 10.993 1.629 1.00 60.43 H new ATOM 0 HG2 ARG A 91 -10.492 8.862 0.766 1.00 41.03 H new ATOM 0 HG3 ARG A 91 -9.947 9.457 -0.789 1.00 41.03 H new ATOM 0 HD2 ARG A 91 -7.787 9.984 0.017 1.00 13.24 H new ATOM 0 HD3 ARG A 91 -8.311 10.020 1.689 1.00 13.24 H new ATOM 0 HE ARG A 91 -8.773 7.402 1.009 1.00 62.53 H new ATOM 0 HH11 ARG A 91 -6.009 9.567 0.647 1.00 62.51 H new ATOM 0 HH12 ARG A 91 -4.824 8.262 0.762 1.00 62.51 H new ATOM 0 HH21 ARG A 91 -7.245 5.728 1.155 1.00 31.12 H new ATOM 0 HH22 ARG A 91 -5.520 6.098 1.049 1.00 31.12 H new ATOM 1432 N PHE A 92 -12.560 9.470 -1.316 1.00 42.51 N ATOM 1433 CA PHE A 92 -13.556 8.416 -1.459 1.00 63.33 C ATOM 1434 C PHE A 92 -12.908 7.038 -1.359 1.00 75.11 C ATOM 1435 O PHE A 92 -13.540 6.072 -0.933 1.00 3.40 O ATOM 1436 CB PHE A 92 -14.285 8.553 -2.797 1.00 15.13 C ATOM 1437 CG PHE A 92 -15.333 9.629 -2.801 1.00 13.40 C ATOM 1438 CD1 PHE A 92 -14.972 10.966 -2.747 1.00 20.12 C ATOM 1439 CD2 PHE A 92 -16.679 9.305 -2.861 1.00 34.22 C ATOM 1440 CE1 PHE A 92 -15.935 11.958 -2.750 1.00 23.14 C ATOM 1441 CE2 PHE A 92 -17.646 10.293 -2.864 1.00 64.33 C ATOM 1442 CZ PHE A 92 -17.272 11.621 -2.810 1.00 34.03 C ATOM 0 H PHE A 92 -11.792 9.418 -1.985 1.00 42.51 H new ATOM 0 HA PHE A 92 -14.277 8.519 -0.648 1.00 63.33 H new ATOM 0 HB2 PHE A 92 -13.556 8.764 -3.579 1.00 15.13 H new ATOM 0 HB3 PHE A 92 -14.753 7.600 -3.046 1.00 15.13 H new ATOM 0 HD1 PHE A 92 -13.927 11.236 -2.702 1.00 20.12 H new ATOM 0 HD2 PHE A 92 -16.976 8.268 -2.906 1.00 34.22 H new ATOM 0 HE1 PHE A 92 -15.641 12.996 -2.705 1.00 23.14 H new ATOM 0 HE2 PHE A 92 -18.692 10.027 -2.908 1.00 64.33 H new ATOM 0 HZ PHE A 92 -18.025 12.395 -2.815 1.00 34.03 H new ATOM 1452 N GLY A 93 -11.641 6.956 -1.756 1.00 15.11 N ATOM 1453 CA GLY A 93 -10.929 5.693 -1.704 1.00 32.32 C ATOM 1454 C GLY A 93 -11.026 5.028 -0.345 1.00 21.42 C ATOM 1455 O GLY A 93 -10.374 4.014 -0.095 1.00 34.12 O ATOM 0 H GLY A 93 -11.096 7.741 -2.112 1.00 15.11 H new ATOM 0 HA2 GLY A 93 -11.331 5.022 -2.463 1.00 32.32 H new ATOM 0 HA3 GLY A 93 -9.880 5.860 -1.949 1.00 32.32 H new