USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 180:sc=-0.00863 USER MOD Set 1.2: A 69 MET CE :methyl 147:sc= -7.03! (180deg=-7.87!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.206 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 14 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0976 K(o=-0.098,f=-1.6!) USER MOD Single : A 22 MET CE :methyl 160:sc= -0.314 (180deg=-1.01) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -5.39! C(o=-5.4!,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 79:sc= 0.0179 USER MOD Single : A 44 CYS SG : rot 118:sc= -2.29! USER MOD Single : A 48 SER OG : rot 82:sc= 1.1 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0.762 (180deg=0.531) USER MOD Single : A 74 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= 0.757 (180deg=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -54.133 24.394 -4.490 1.00 0.00 N ATOM 122 CA PRO A 9 -54.573 24.412 -3.073 1.00 0.00 C ATOM 123 C PRO A 9 -53.433 24.805 -2.109 1.00 0.00 C ATOM 124 O PRO A 9 -53.629 24.872 -0.899 1.00 0.00 O ATOM 125 CB PRO A 9 -55.050 22.978 -2.826 1.00 0.00 C ATOM 126 CG PRO A 9 -54.364 22.100 -3.894 1.00 0.00 C ATOM 127 CD PRO A 9 -54.012 23.032 -5.062 1.00 0.00 C ATOM 0 HA PRO A 9 -55.349 25.156 -2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -54.783 22.648 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -56.135 22.910 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -53.468 21.627 -3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -55.027 21.299 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -53.004 22.844 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -54.692 22.891 -5.903 1.00 0.00 H new ATOM 135 N ILE A 10 -52.257 25.082 -2.610 1.00 0.00 N ATOM 136 CA ILE A 10 -51.138 25.484 -1.701 1.00 0.00 C ATOM 137 C ILE A 10 -50.725 26.931 -2.009 1.00 0.00 C ATOM 138 O ILE A 10 -50.930 27.829 -1.198 1.00 0.00 O ATOM 139 CB ILE A 10 -49.949 24.530 -1.894 1.00 0.00 C ATOM 140 CG1 ILE A 10 -50.295 23.162 -1.300 1.00 0.00 C ATOM 141 CG2 ILE A 10 -48.714 25.082 -1.176 1.00 0.00 C ATOM 142 CD1 ILE A 10 -50.822 22.244 -2.402 1.00 0.00 C ATOM 0 H ILE A 10 -52.022 25.048 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 10 -51.466 25.426 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 10 -49.739 24.435 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -49.412 22.721 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -51.044 23.273 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -47.876 24.400 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -48.460 26.059 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -48.926 25.180 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -51.068 21.270 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -51.716 22.683 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -50.059 22.123 -3.170 1.00 0.00 H new ATOM 154 N SER A 11 -50.156 27.181 -3.161 1.00 0.00 N ATOM 155 CA SER A 11 -49.739 28.580 -3.504 1.00 0.00 C ATOM 156 C SER A 11 -50.969 29.491 -3.590 1.00 0.00 C ATOM 157 O SER A 11 -51.203 30.310 -2.709 1.00 0.00 O ATOM 158 CB SER A 11 -49.000 28.592 -4.845 1.00 0.00 C ATOM 159 OG SER A 11 -49.766 27.879 -5.815 1.00 0.00 O ATOM 0 H SER A 11 -49.962 26.482 -3.878 1.00 0.00 H new ATOM 0 HA SER A 11 -49.074 28.948 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 11 -48.840 29.618 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 11 -48.016 28.135 -4.735 1.00 0.00 H new ATOM 0 HG SER A 11 -49.295 27.887 -6.674 1.00 0.00 H new ATOM 165 N GLN A 12 -51.750 29.366 -4.635 1.00 0.00 N ATOM 166 CA GLN A 12 -52.966 30.233 -4.798 1.00 0.00 C ATOM 167 C GLN A 12 -53.738 30.352 -3.475 1.00 0.00 C ATOM 168 O GLN A 12 -54.164 31.439 -3.087 1.00 0.00 O ATOM 169 CB GLN A 12 -53.875 29.638 -5.878 1.00 0.00 C ATOM 170 CG GLN A 12 -53.983 30.626 -7.045 1.00 0.00 C ATOM 171 CD GLN A 12 -54.811 30.012 -8.171 1.00 0.00 C ATOM 172 OE1 GLN A 12 -55.896 29.492 -7.943 1.00 0.00 O ATOM 173 NE2 GLN A 12 -54.358 30.043 -9.386 1.00 0.00 N ATOM 0 H GLN A 12 -51.599 28.696 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 12 -52.644 31.231 -5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -53.472 28.687 -6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -54.863 29.433 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -54.445 31.553 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -52.988 30.881 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -53.455 30.475 -9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -54.905 29.636 -10.145 1.00 0.00 H new ATOM 182 N VAL A 13 -53.922 29.266 -2.768 1.00 0.00 N ATOM 183 CA VAL A 13 -54.658 29.341 -1.464 1.00 0.00 C ATOM 184 C VAL A 13 -53.909 30.294 -0.523 1.00 0.00 C ATOM 185 O VAL A 13 -54.486 31.243 0.013 1.00 0.00 O ATOM 186 CB VAL A 13 -54.743 27.946 -0.837 1.00 0.00 C ATOM 187 CG1 VAL A 13 -55.390 28.043 0.544 1.00 0.00 C ATOM 188 CG2 VAL A 13 -55.598 27.045 -1.726 1.00 0.00 C ATOM 0 H VAL A 13 -53.598 28.336 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 13 -55.669 29.713 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 13 -53.740 27.530 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -55.450 27.050 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -54.789 28.691 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -56.393 28.458 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -55.661 26.051 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -56.599 27.467 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -55.145 26.974 -2.715 1.00 0.00 H new ATOM 198 N HIS A 14 -52.631 30.078 -0.335 1.00 0.00 N ATOM 199 CA HIS A 14 -51.835 30.984 0.542 1.00 0.00 C ATOM 200 C HIS A 14 -51.904 32.410 -0.033 1.00 0.00 C ATOM 201 O HIS A 14 -52.044 33.387 0.705 1.00 0.00 O ATOM 202 CB HIS A 14 -50.386 30.485 0.590 1.00 0.00 C ATOM 203 CG HIS A 14 -50.262 29.419 1.645 1.00 0.00 C ATOM 204 ND1 HIS A 14 -49.631 29.644 2.857 1.00 0.00 N ATOM 205 CD2 HIS A 14 -50.700 28.118 1.690 1.00 0.00 C ATOM 206 CE1 HIS A 14 -49.710 28.506 3.574 1.00 0.00 C ATOM 207 NE2 HIS A 14 -50.350 27.545 2.907 1.00 0.00 N ATOM 0 H HIS A 14 -52.105 29.311 -0.753 1.00 0.00 H new ATOM 0 HA HIS A 14 -52.234 30.991 1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -50.094 30.087 -0.382 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -49.712 31.312 0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -49.187 30.513 3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -51.236 27.616 0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -49.304 28.387 4.568 1.00 0.00 H new ATOM 215 N GLU A 15 -51.848 32.540 -1.341 1.00 0.00 N ATOM 216 CA GLU A 15 -51.951 33.890 -1.982 1.00 0.00 C ATOM 217 C GLU A 15 -53.280 34.531 -1.558 1.00 0.00 C ATOM 218 O GLU A 15 -53.323 35.655 -1.061 1.00 0.00 O ATOM 219 CB GLU A 15 -51.933 33.745 -3.512 1.00 0.00 C ATOM 220 CG GLU A 15 -50.614 33.096 -3.971 1.00 0.00 C ATOM 221 CD GLU A 15 -50.714 32.666 -5.439 1.00 0.00 C ATOM 222 OE1 GLU A 15 -51.248 33.426 -6.234 1.00 0.00 O ATOM 223 OE2 GLU A 15 -50.252 31.578 -5.744 1.00 0.00 O ATOM 0 H GLU A 15 -51.735 31.764 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 15 -51.110 34.509 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -52.778 33.137 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -52.046 34.724 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -49.792 33.801 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -50.390 32.231 -3.346 1.00 0.00 H new ATOM 230 N ILE A 16 -54.368 33.818 -1.730 1.00 0.00 N ATOM 231 CA ILE A 16 -55.702 34.359 -1.322 1.00 0.00 C ATOM 232 C ILE A 16 -55.671 34.675 0.180 1.00 0.00 C ATOM 233 O ILE A 16 -56.188 35.703 0.627 1.00 0.00 O ATOM 234 CB ILE A 16 -56.788 33.317 -1.622 1.00 0.00 C ATOM 235 CG1 ILE A 16 -56.985 33.211 -3.135 1.00 0.00 C ATOM 236 CG2 ILE A 16 -58.110 33.741 -0.976 1.00 0.00 C ATOM 237 CD1 ILE A 16 -57.756 31.932 -3.462 1.00 0.00 C ATOM 0 H ILE A 16 -54.389 32.883 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 16 -55.925 35.269 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 16 -56.479 32.353 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -57.530 34.080 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -56.018 33.204 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -58.876 32.997 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -57.978 33.822 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -58.418 34.706 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -57.896 31.857 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -57.194 31.068 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -58.729 31.958 -2.971 1.00 0.00 H new ATOM 249 N GLY A 17 -55.050 33.823 0.963 1.00 0.00 N ATOM 250 CA GLY A 17 -54.948 34.082 2.434 1.00 0.00 C ATOM 251 C GLY A 17 -54.312 35.457 2.644 1.00 0.00 C ATOM 252 O GLY A 17 -54.795 36.268 3.434 1.00 0.00 O ATOM 0 H GLY A 17 -54.610 32.959 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -55.936 34.048 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -54.347 33.310 2.913 1.00 0.00 H new ATOM 256 N ILE A 18 -53.257 35.739 1.923 1.00 0.00 N ATOM 257 CA ILE A 18 -52.589 37.074 2.031 1.00 0.00 C ATOM 258 C ILE A 18 -53.153 37.992 0.934 1.00 0.00 C ATOM 259 O ILE A 18 -52.423 38.632 0.177 1.00 0.00 O ATOM 260 CB ILE A 18 -51.074 36.906 1.845 1.00 0.00 C ATOM 261 CG1 ILE A 18 -50.515 35.967 2.920 1.00 0.00 C ATOM 262 CG2 ILE A 18 -50.388 38.270 1.955 1.00 0.00 C ATOM 263 CD1 ILE A 18 -50.891 36.478 4.314 1.00 0.00 C ATOM 0 H ILE A 18 -52.825 35.097 1.258 1.00 0.00 H new ATOM 0 HA ILE A 18 -52.777 37.511 3.012 1.00 0.00 H new ATOM 0 HB ILE A 18 -50.883 36.479 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -50.908 34.961 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -49.431 35.902 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -49.313 38.148 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -50.776 38.935 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -50.586 38.699 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -50.489 35.803 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -50.476 37.475 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -51.976 36.520 4.406 1.00 0.00 H new ATOM 275 N LYS A 19 -54.449 38.056 0.824 1.00 0.00 N ATOM 276 CA LYS A 19 -55.067 38.914 -0.227 1.00 0.00 C ATOM 277 C LYS A 19 -56.473 39.340 0.220 1.00 0.00 C ATOM 278 O LYS A 19 -56.770 40.525 0.341 1.00 0.00 O ATOM 279 CB LYS A 19 -55.147 38.110 -1.526 1.00 0.00 C ATOM 280 CG LYS A 19 -55.391 39.047 -2.709 1.00 0.00 C ATOM 281 CD LYS A 19 -54.918 38.362 -3.996 1.00 0.00 C ATOM 282 CE LYS A 19 -53.776 39.163 -4.620 1.00 0.00 C ATOM 283 NZ LYS A 19 -54.343 40.106 -5.629 1.00 0.00 N ATOM 0 H LYS A 19 -55.109 37.552 1.416 1.00 0.00 H new ATOM 0 HA LYS A 19 -54.466 39.809 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -54.221 37.555 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -55.951 37.377 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -56.450 39.293 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -54.855 39.985 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -54.585 37.347 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -55.745 38.281 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -53.237 39.714 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -53.059 38.492 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -53.573 40.657 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -54.839 39.567 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -55.012 40.752 -5.163 1.00 0.00 H new ATOM 297 N ARG A 20 -57.337 38.395 0.483 1.00 0.00 N ATOM 298 CA ARG A 20 -58.719 38.741 0.941 1.00 0.00 C ATOM 299 C ARG A 20 -58.758 38.767 2.482 1.00 0.00 C ATOM 300 O ARG A 20 -59.770 38.432 3.097 1.00 0.00 O ATOM 301 CB ARG A 20 -59.697 37.683 0.415 1.00 0.00 C ATOM 302 CG ARG A 20 -61.098 38.286 0.295 1.00 0.00 C ATOM 303 CD ARG A 20 -62.056 37.535 1.214 1.00 0.00 C ATOM 304 NE ARG A 20 -63.391 37.467 0.555 1.00 0.00 N ATOM 305 CZ ARG A 20 -64.201 36.503 0.823 1.00 0.00 C ATOM 306 NH1 ARG A 20 -64.165 35.417 0.137 1.00 0.00 N ATOM 307 NH2 ARG A 20 -65.040 36.630 1.780 1.00 0.00 N ATOM 0 H ARG A 20 -57.147 37.396 0.401 1.00 0.00 H new ATOM 0 HA ARG A 20 -59.002 39.722 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -59.364 37.318 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -59.716 36.826 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -61.075 39.343 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -61.444 38.225 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -61.681 36.531 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -62.134 38.043 2.175 1.00 0.00 H new ATOM 0 HE ARG A 20 -63.664 38.188 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -63.493 35.316 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -64.809 34.656 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -65.065 37.491 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -65.685 35.870 1.997 1.00 0.00 H new ATOM 321 N ASN A 21 -57.667 39.151 3.111 1.00 0.00 N ATOM 322 CA ASN A 21 -57.611 39.193 4.610 1.00 0.00 C ATOM 323 C ASN A 21 -58.104 37.857 5.194 1.00 0.00 C ATOM 324 O ASN A 21 -58.784 37.813 6.218 1.00 0.00 O ATOM 325 CB ASN A 21 -58.478 40.350 5.118 1.00 0.00 C ATOM 326 CG ASN A 21 -57.761 41.672 4.853 1.00 0.00 C ATOM 327 OD1 ASN A 21 -56.539 41.740 4.881 1.00 0.00 O ATOM 328 ND2 ASN A 21 -58.454 42.735 4.598 1.00 0.00 N ATOM 0 H ASN A 21 -56.807 39.439 2.644 1.00 0.00 H new ATOM 0 HA ASN A 21 -56.581 39.350 4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -59.446 40.341 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -58.670 40.235 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -57.982 43.622 4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -59.473 42.686 4.573 1.00 0.00 H new ATOM 335 N MET A 22 -57.768 36.766 4.554 1.00 0.00 N ATOM 336 CA MET A 22 -58.212 35.430 5.055 1.00 0.00 C ATOM 337 C MET A 22 -57.138 34.810 5.962 1.00 0.00 C ATOM 338 O MET A 22 -57.446 34.002 6.834 1.00 0.00 O ATOM 339 CB MET A 22 -58.472 34.506 3.860 1.00 0.00 C ATOM 340 CG MET A 22 -59.959 34.549 3.499 1.00 0.00 C ATOM 341 SD MET A 22 -60.305 33.314 2.223 1.00 0.00 S ATOM 342 CE MET A 22 -62.103 33.272 2.431 1.00 0.00 C ATOM 0 H MET A 22 -57.204 36.743 3.704 1.00 0.00 H new ATOM 0 HA MET A 22 -59.126 35.554 5.635 1.00 0.00 H new ATOM 0 HB2 MET A 22 -57.870 34.818 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 22 -58.175 33.486 4.103 1.00 0.00 H new ATOM 0 HG2 MET A 22 -60.565 34.353 4.384 1.00 0.00 H new ATOM 0 HG3 MET A 22 -60.229 35.543 3.141 1.00 0.00 H new ATOM 0 HE1 MET A 22 -62.563 32.858 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 22 -62.356 32.649 3.289 1.00 0.00 H new ATOM 0 HE3 MET A 22 -62.474 34.284 2.595 1.00 0.00 H new ATOM 352 N THR A 23 -55.886 35.163 5.774 1.00 0.00 N ATOM 353 CA THR A 23 -54.795 34.583 6.630 1.00 0.00 C ATOM 354 C THR A 23 -54.924 33.056 6.662 1.00 0.00 C ATOM 355 O THR A 23 -55.052 32.443 7.718 1.00 0.00 O ATOM 356 CB THR A 23 -54.905 35.141 8.054 1.00 0.00 C ATOM 357 OG1 THR A 23 -55.502 36.430 8.014 1.00 0.00 O ATOM 358 CG2 THR A 23 -53.514 35.260 8.663 1.00 0.00 C ATOM 0 H THR A 23 -55.572 35.827 5.066 1.00 0.00 H new ATOM 0 HA THR A 23 -53.825 34.854 6.212 1.00 0.00 H new ATOM 0 HB THR A 23 -55.516 34.469 8.657 1.00 0.00 H new ATOM 0 HG1 THR A 23 -55.574 36.786 8.924 1.00 0.00 H new ATOM 0 HG21 THR A 23 -53.593 35.657 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 23 -53.045 34.277 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 23 -52.907 35.932 8.056 1.00 0.00 H new ATOM 366 N VAL A 24 -54.908 32.436 5.515 1.00 0.00 N ATOM 367 CA VAL A 24 -55.047 30.948 5.451 1.00 0.00 C ATOM 368 C VAL A 24 -53.787 30.260 6.004 1.00 0.00 C ATOM 369 O VAL A 24 -52.692 30.382 5.454 1.00 0.00 O ATOM 370 CB VAL A 24 -55.291 30.523 3.994 1.00 0.00 C ATOM 371 CG1 VAL A 24 -54.088 30.891 3.124 1.00 0.00 C ATOM 372 CG2 VAL A 24 -55.504 29.011 3.931 1.00 0.00 C ATOM 0 H VAL A 24 -54.804 32.897 4.611 1.00 0.00 H new ATOM 0 HA VAL A 24 -55.894 30.643 6.065 1.00 0.00 H new ATOM 0 HB VAL A 24 -56.175 31.041 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.276 30.584 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -53.931 31.969 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -53.199 30.383 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -55.677 28.711 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -54.619 28.503 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -56.368 28.740 4.537 1.00 0.00 H new ATOM 382 N HIS A 25 -53.927 29.534 7.081 1.00 0.00 N ATOM 383 CA HIS A 25 -52.745 28.824 7.671 1.00 0.00 C ATOM 384 C HIS A 25 -53.036 27.318 7.745 1.00 0.00 C ATOM 385 O HIS A 25 -53.976 26.887 8.412 1.00 0.00 O ATOM 386 CB HIS A 25 -52.470 29.360 9.081 1.00 0.00 C ATOM 387 CG HIS A 25 -51.978 30.777 9.003 1.00 0.00 C ATOM 388 ND1 HIS A 25 -50.706 31.096 8.557 1.00 0.00 N ATOM 389 CD2 HIS A 25 -52.573 31.969 9.323 1.00 0.00 C ATOM 390 CE1 HIS A 25 -50.579 32.435 8.621 1.00 0.00 C ATOM 391 NE2 HIS A 25 -51.688 33.014 9.083 1.00 0.00 N ATOM 0 H HIS A 25 -54.806 29.399 7.580 1.00 0.00 H new ATOM 0 HA HIS A 25 -51.871 28.997 7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -53.379 29.314 9.681 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.728 28.735 9.579 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -49.996 30.437 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -53.577 32.080 9.704 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -49.688 32.974 8.333 1.00 0.00 H new ATOM 399 N PHE A 26 -52.252 26.512 7.075 1.00 0.00 N ATOM 400 CA PHE A 26 -52.484 25.029 7.104 1.00 0.00 C ATOM 401 C PHE A 26 -51.543 24.365 8.119 1.00 0.00 C ATOM 402 O PHE A 26 -50.324 24.519 8.050 1.00 0.00 O ATOM 403 CB PHE A 26 -52.207 24.444 5.715 1.00 0.00 C ATOM 404 CG PHE A 26 -53.308 24.835 4.764 1.00 0.00 C ATOM 405 CD1 PHE A 26 -54.523 24.144 4.777 1.00 0.00 C ATOM 406 CD2 PHE A 26 -53.111 25.887 3.864 1.00 0.00 C ATOM 407 CE1 PHE A 26 -55.542 24.505 3.892 1.00 0.00 C ATOM 408 CE2 PHE A 26 -54.130 26.249 2.979 1.00 0.00 C ATOM 409 CZ PHE A 26 -55.346 25.557 2.992 1.00 0.00 C ATOM 0 H PHE A 26 -51.460 26.814 6.508 1.00 0.00 H new ATOM 0 HA PHE A 26 -53.518 24.840 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -51.248 24.806 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -52.136 23.358 5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -54.674 23.331 5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -52.172 26.420 3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -56.481 23.972 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -53.979 27.063 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 26 -56.133 25.835 2.307 1.00 0.00 H new ATOM 419 N LYS A 27 -52.080 23.618 9.048 1.00 0.00 N ATOM 420 CA LYS A 27 -51.211 22.936 10.057 1.00 0.00 C ATOM 421 C LYS A 27 -51.842 21.602 10.488 1.00 0.00 C ATOM 422 O LYS A 27 -53.055 21.407 10.403 1.00 0.00 O ATOM 423 CB LYS A 27 -51.047 23.844 11.281 1.00 0.00 C ATOM 424 CG LYS A 27 -49.828 23.391 12.092 1.00 0.00 C ATOM 425 CD LYS A 27 -49.659 24.298 13.314 1.00 0.00 C ATOM 426 CE LYS A 27 -50.349 23.665 14.523 1.00 0.00 C ATOM 427 NZ LYS A 27 -49.926 24.387 15.761 1.00 0.00 N ATOM 0 H LYS A 27 -53.081 23.450 9.153 1.00 0.00 H new ATOM 0 HA LYS A 27 -50.236 22.737 9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -50.923 24.880 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -51.944 23.805 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -49.954 22.356 12.409 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -48.932 23.428 11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -48.600 24.448 13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -50.086 25.280 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -51.432 23.718 14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -50.087 22.609 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -50.392 23.961 16.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -48.894 24.315 15.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -50.197 25.388 15.689 1.00 0.00 H new ATOM 441 N VAL A 28 -51.041 20.684 10.958 1.00 0.00 N ATOM 442 CA VAL A 28 -51.586 19.367 11.409 1.00 0.00 C ATOM 443 C VAL A 28 -51.757 19.379 12.937 1.00 0.00 C ATOM 444 O VAL A 28 -51.114 20.157 13.649 1.00 0.00 O ATOM 445 CB VAL A 28 -50.622 18.245 10.988 1.00 0.00 C ATOM 446 CG1 VAL A 28 -49.409 18.210 11.921 1.00 0.00 C ATOM 447 CG2 VAL A 28 -51.341 16.896 11.058 1.00 0.00 C ATOM 0 H VAL A 28 -50.030 20.788 11.050 1.00 0.00 H new ATOM 0 HA VAL A 28 -52.558 19.191 10.947 1.00 0.00 H new ATOM 0 HB VAL A 28 -50.288 18.437 9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -48.735 17.411 11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -48.886 19.165 11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -49.741 18.029 12.943 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -50.656 16.103 10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -51.681 16.717 12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -52.199 16.906 10.386 1.00 0.00 H new ATOM 457 N LEU A 29 -52.613 18.540 13.455 1.00 0.00 N ATOM 458 CA LEU A 29 -52.830 18.501 14.937 1.00 0.00 C ATOM 459 C LEU A 29 -52.101 17.288 15.526 1.00 0.00 C ATOM 460 O LEU A 29 -51.190 17.428 16.346 1.00 0.00 O ATOM 461 CB LEU A 29 -54.335 18.400 15.244 1.00 0.00 C ATOM 462 CG LEU A 29 -55.136 19.243 14.251 1.00 0.00 C ATOM 463 CD1 LEU A 29 -56.619 18.909 14.377 1.00 0.00 C ATOM 464 CD2 LEU A 29 -54.934 20.726 14.554 1.00 0.00 C ATOM 0 H LEU A 29 -53.174 17.878 12.919 1.00 0.00 H new ATOM 0 HA LEU A 29 -52.437 19.415 15.383 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -54.655 17.360 15.190 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -54.529 18.741 16.261 1.00 0.00 H new ATOM 0 HG LEU A 29 -54.792 19.025 13.240 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -57.189 19.510 13.669 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -56.773 17.852 14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -56.956 19.126 15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -55.506 21.324 13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -55.275 20.940 15.567 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -53.876 20.974 14.467 1.00 0.00 H new ATOM 476 N ARG A 30 -52.492 16.108 15.121 1.00 0.00 N ATOM 477 CA ARG A 30 -51.847 14.848 15.628 1.00 0.00 C ATOM 478 C ARG A 30 -52.704 13.639 15.228 1.00 0.00 C ATOM 479 O ARG A 30 -53.907 13.763 14.992 1.00 0.00 O ATOM 480 CB ARG A 30 -51.710 14.887 17.159 1.00 0.00 C ATOM 481 CG ARG A 30 -53.038 15.309 17.802 1.00 0.00 C ATOM 482 CD ARG A 30 -52.894 15.309 19.327 1.00 0.00 C ATOM 483 NE ARG A 30 -51.618 15.993 19.709 1.00 0.00 N ATOM 484 CZ ARG A 30 -51.575 17.278 19.830 1.00 0.00 C ATOM 485 NH1 ARG A 30 -51.357 18.013 18.796 1.00 0.00 N ATOM 486 NH2 ARG A 30 -51.750 17.819 20.986 1.00 0.00 N ATOM 0 H ARG A 30 -53.244 15.956 14.449 1.00 0.00 H new ATOM 0 HA ARG A 30 -50.853 14.764 15.188 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -51.414 13.905 17.530 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -50.923 15.585 17.443 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -53.323 16.302 17.454 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -53.832 14.626 17.502 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -53.743 15.819 19.783 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -52.897 14.286 19.703 1.00 0.00 H new ATOM 0 HE ARG A 30 -50.777 15.440 19.875 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -51.219 17.580 17.883 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -51.323 19.028 18.890 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -51.922 17.233 21.803 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -51.717 18.834 21.085 1.00 0.00 H new ATOM 631 N PHE A 40 -55.699 10.479 9.364 1.00 0.00 N ATOM 632 CA PHE A 40 -55.034 11.781 9.676 1.00 0.00 C ATOM 633 C PHE A 40 -56.048 12.927 9.570 1.00 0.00 C ATOM 634 O PHE A 40 -56.969 12.885 8.759 1.00 0.00 O ATOM 635 CB PHE A 40 -53.890 12.011 8.684 1.00 0.00 C ATOM 636 CG PHE A 40 -52.657 11.285 9.163 1.00 0.00 C ATOM 637 CD1 PHE A 40 -52.512 9.915 8.920 1.00 0.00 C ATOM 638 CD2 PHE A 40 -51.660 11.981 9.855 1.00 0.00 C ATOM 639 CE1 PHE A 40 -51.370 9.241 9.367 1.00 0.00 C ATOM 640 CE2 PHE A 40 -50.518 11.308 10.303 1.00 0.00 C ATOM 641 CZ PHE A 40 -50.374 9.938 10.060 1.00 0.00 C ATOM 0 HA PHE A 40 -54.640 11.752 10.692 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -54.175 11.653 7.695 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -53.684 13.077 8.590 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -53.282 9.377 8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -51.772 13.039 10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -51.257 8.184 9.177 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -49.748 11.846 10.836 1.00 0.00 H new ATOM 0 HZ PHE A 40 -49.494 9.418 10.407 1.00 0.00 H new ATOM 651 N ILE A 41 -55.890 13.950 10.372 1.00 0.00 N ATOM 652 CA ILE A 41 -56.838 15.110 10.321 1.00 0.00 C ATOM 653 C ILE A 41 -56.039 16.409 10.138 1.00 0.00 C ATOM 654 O ILE A 41 -55.151 16.731 10.931 1.00 0.00 O ATOM 655 CB ILE A 41 -57.644 15.190 11.627 1.00 0.00 C ATOM 656 CG1 ILE A 41 -58.262 13.822 11.950 1.00 0.00 C ATOM 657 CG2 ILE A 41 -58.762 16.225 11.478 1.00 0.00 C ATOM 658 CD1 ILE A 41 -59.331 13.471 10.910 1.00 0.00 C ATOM 0 H ILE A 41 -55.144 14.034 11.062 1.00 0.00 H new ATOM 0 HA ILE A 41 -57.524 14.975 9.485 1.00 0.00 H new ATOM 0 HB ILE A 41 -56.976 15.483 12.437 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -57.486 13.056 11.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -58.704 13.840 12.946 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -59.333 16.280 12.405 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -58.328 17.201 11.260 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -59.423 15.932 10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -59.764 12.499 11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -60.114 14.230 10.922 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -58.877 13.434 9.920 1.00 0.00 H new ATOM 670 N THR A 42 -56.330 17.156 9.109 1.00 0.00 N ATOM 671 CA THR A 42 -55.586 18.435 8.867 1.00 0.00 C ATOM 672 C THR A 42 -56.362 19.616 9.468 1.00 0.00 C ATOM 673 O THR A 42 -57.565 19.532 9.703 1.00 0.00 O ATOM 674 CB THR A 42 -55.424 18.654 7.356 1.00 0.00 C ATOM 675 OG1 THR A 42 -55.357 17.395 6.694 1.00 0.00 O ATOM 676 CG2 THR A 42 -54.139 19.430 7.084 1.00 0.00 C ATOM 0 H THR A 42 -57.051 16.940 8.421 1.00 0.00 H new ATOM 0 HA THR A 42 -54.606 18.371 9.339 1.00 0.00 H new ATOM 0 HB THR A 42 -56.279 19.219 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 42 -56.260 17.028 6.597 1.00 0.00 H new ATOM 0 HG21 THR A 42 -54.027 19.584 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 42 -54.184 20.396 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 42 -53.286 18.865 7.461 1.00 0.00 H new ATOM 684 N ALA A 43 -55.700 20.715 9.726 1.00 0.00 N ATOM 685 CA ALA A 43 -56.402 21.904 10.307 1.00 0.00 C ATOM 686 C ALA A 43 -55.988 23.175 9.547 1.00 0.00 C ATOM 687 O ALA A 43 -54.809 23.385 9.257 1.00 0.00 O ATOM 688 CB ALA A 43 -56.021 22.037 11.783 1.00 0.00 C ATOM 0 H ALA A 43 -54.702 20.842 9.560 1.00 0.00 H new ATOM 0 HA ALA A 43 -57.480 21.773 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -56.528 22.901 12.213 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -56.320 21.136 12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -54.943 22.169 11.870 1.00 0.00 H new ATOM 694 N CYS A 44 -56.927 24.031 9.220 1.00 0.00 N ATOM 695 CA CYS A 44 -56.571 25.281 8.484 1.00 0.00 C ATOM 696 C CYS A 44 -57.214 26.499 9.158 1.00 0.00 C ATOM 697 O CYS A 44 -58.327 26.433 9.683 1.00 0.00 O ATOM 698 CB CYS A 44 -57.064 25.184 7.040 1.00 0.00 C ATOM 699 SG CYS A 44 -56.396 26.570 6.088 1.00 0.00 S ATOM 0 H CYS A 44 -57.919 23.917 9.430 1.00 0.00 H new ATOM 0 HA CYS A 44 -55.487 25.398 8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -56.749 24.239 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -58.154 25.201 7.013 1.00 0.00 H new ATOM 0 HG CYS A 44 -55.633 26.116 5.139 1.00 0.00 H new ATOM 705 N ILE A 45 -56.534 27.613 9.147 1.00 0.00 N ATOM 706 CA ILE A 45 -57.095 28.849 9.771 1.00 0.00 C ATOM 707 C ILE A 45 -57.714 29.728 8.676 1.00 0.00 C ATOM 708 O ILE A 45 -57.065 30.056 7.680 1.00 0.00 O ATOM 709 CB ILE A 45 -55.969 29.609 10.500 1.00 0.00 C ATOM 710 CG1 ILE A 45 -56.047 29.318 12.002 1.00 0.00 C ATOM 711 CG2 ILE A 45 -56.097 31.123 10.273 1.00 0.00 C ATOM 712 CD1 ILE A 45 -57.232 30.070 12.615 1.00 0.00 C ATOM 0 H ILE A 45 -55.609 27.722 8.731 1.00 0.00 H new ATOM 0 HA ILE A 45 -57.867 28.587 10.495 1.00 0.00 H new ATOM 0 HB ILE A 45 -55.011 29.274 10.101 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -56.159 28.247 12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -55.120 29.622 12.489 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -55.292 31.639 10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -56.032 31.338 9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -57.058 31.468 10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -57.283 29.860 13.683 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -57.102 31.141 12.462 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -58.156 29.745 12.137 1.00 0.00 H new ATOM 724 N VAL A 46 -58.952 30.116 8.843 1.00 0.00 N ATOM 725 CA VAL A 46 -59.619 30.980 7.820 1.00 0.00 C ATOM 726 C VAL A 46 -60.131 32.267 8.490 1.00 0.00 C ATOM 727 O VAL A 46 -61.033 32.228 9.322 1.00 0.00 O ATOM 728 CB VAL A 46 -60.778 30.205 7.169 1.00 0.00 C ATOM 729 CG1 VAL A 46 -61.867 29.897 8.199 1.00 0.00 C ATOM 730 CG2 VAL A 46 -61.379 31.039 6.039 1.00 0.00 C ATOM 0 H VAL A 46 -59.532 29.872 9.646 1.00 0.00 H new ATOM 0 HA VAL A 46 -58.905 31.253 7.043 1.00 0.00 H new ATOM 0 HB VAL A 46 -60.389 29.266 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -62.677 29.349 7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -61.447 29.293 9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -62.254 30.830 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -62.200 30.490 5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -61.753 31.981 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -60.613 31.243 5.290 1.00 0.00 H new ATOM 740 N GLY A 47 -59.538 33.395 8.136 1.00 0.00 N ATOM 741 CA GLY A 47 -59.909 34.750 8.709 1.00 0.00 C ATOM 742 C GLY A 47 -61.153 34.701 9.604 1.00 0.00 C ATOM 743 O GLY A 47 -62.231 35.132 9.203 1.00 0.00 O ATOM 0 H GLY A 47 -58.785 33.435 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -59.069 35.137 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -60.084 35.449 7.891 1.00 0.00 H new ATOM 747 N SER A 48 -61.010 34.191 10.807 1.00 0.00 N ATOM 748 CA SER A 48 -62.164 34.093 11.769 1.00 0.00 C ATOM 749 C SER A 48 -61.873 32.994 12.798 1.00 0.00 C ATOM 750 O SER A 48 -61.755 33.254 13.993 1.00 0.00 O ATOM 751 CB SER A 48 -63.460 33.742 11.027 1.00 0.00 C ATOM 752 OG SER A 48 -64.122 34.943 10.651 1.00 0.00 O ATOM 0 H SER A 48 -60.128 33.832 11.171 1.00 0.00 H new ATOM 0 HA SER A 48 -62.286 35.057 12.263 1.00 0.00 H new ATOM 0 HB2 SER A 48 -63.237 33.143 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 -64.107 33.140 11.665 1.00 0.00 H new ATOM 0 HG SER A 48 -63.727 35.289 9.824 1.00 0.00 H new ATOM 758 N ILE A 49 -61.760 31.768 12.353 1.00 0.00 N ATOM 759 CA ILE A 49 -61.483 30.635 13.293 1.00 0.00 C ATOM 760 C ILE A 49 -60.760 29.508 12.535 1.00 0.00 C ATOM 761 O ILE A 49 -60.336 29.679 11.390 1.00 0.00 O ATOM 762 CB ILE A 49 -62.802 30.085 13.876 1.00 0.00 C ATOM 763 CG1 ILE A 49 -64.021 30.751 13.224 1.00 0.00 C ATOM 764 CG2 ILE A 49 -62.844 30.352 15.379 1.00 0.00 C ATOM 765 CD1 ILE A 49 -64.265 30.138 11.843 1.00 0.00 C ATOM 0 H ILE A 49 -61.848 31.500 11.373 1.00 0.00 H new ATOM 0 HA ILE A 49 -60.858 31.000 14.108 1.00 0.00 H new ATOM 0 HB ILE A 49 -62.838 29.014 13.675 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -64.901 30.617 13.853 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -63.856 31.824 13.132 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -63.775 29.964 15.792 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -62.000 29.858 15.860 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -62.787 31.425 15.560 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -65.131 30.613 11.382 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -63.388 30.295 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -64.450 29.069 11.947 1.00 0.00 H new ATOM 777 N VAL A 50 -60.621 28.356 13.141 1.00 0.00 N ATOM 778 CA VAL A 50 -59.942 27.222 12.439 1.00 0.00 C ATOM 779 C VAL A 50 -60.996 26.267 11.879 1.00 0.00 C ATOM 780 O VAL A 50 -62.088 26.118 12.425 1.00 0.00 O ATOM 781 CB VAL A 50 -59.046 26.434 13.399 1.00 0.00 C ATOM 782 CG1 VAL A 50 -58.147 25.494 12.590 1.00 0.00 C ATOM 783 CG2 VAL A 50 -58.169 27.387 14.213 1.00 0.00 C ATOM 0 H VAL A 50 -60.946 28.151 14.086 1.00 0.00 H new ATOM 0 HA VAL A 50 -59.330 27.640 11.640 1.00 0.00 H new ATOM 0 HB VAL A 50 -59.675 25.861 14.080 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -57.507 24.930 13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -58.765 24.803 12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -57.529 26.079 11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -57.538 26.812 14.891 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -57.541 27.969 13.539 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -58.802 28.060 14.791 1.00 0.00 H new ATOM 793 N THR A 51 -60.671 25.606 10.813 1.00 0.00 N ATOM 794 CA THR A 51 -61.623 24.633 10.190 1.00 0.00 C ATOM 795 C THR A 51 -60.865 23.785 9.171 1.00 0.00 C ATOM 796 O THR A 51 -60.017 24.294 8.446 1.00 0.00 O ATOM 797 CB THR A 51 -62.759 25.377 9.467 1.00 0.00 C ATOM 798 OG1 THR A 51 -62.377 26.720 9.208 1.00 0.00 O ATOM 799 CG2 THR A 51 -64.013 25.376 10.339 1.00 0.00 C ATOM 0 H THR A 51 -59.775 25.694 10.333 1.00 0.00 H new ATOM 0 HA THR A 51 -62.050 24.006 10.972 1.00 0.00 H new ATOM 0 HB THR A 51 -62.964 24.870 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 51 -63.106 27.184 8.746 1.00 0.00 H new ATOM 0 HG21 THR A 51 -64.815 25.904 9.823 1.00 0.00 H new ATOM 0 HG22 THR A 51 -64.321 24.348 10.533 1.00 0.00 H new ATOM 0 HG23 THR A 51 -63.799 25.875 11.284 1.00 0.00 H new ATOM 807 N GLU A 52 -61.159 22.511 9.103 1.00 0.00 N ATOM 808 CA GLU A 52 -60.469 21.617 8.117 1.00 0.00 C ATOM 809 C GLU A 52 -60.834 20.146 8.391 1.00 0.00 C ATOM 810 O GLU A 52 -62.009 19.788 8.476 1.00 0.00 O ATOM 811 CB GLU A 52 -58.945 21.819 8.181 1.00 0.00 C ATOM 812 CG GLU A 52 -58.296 21.265 6.901 1.00 0.00 C ATOM 813 CD GLU A 52 -58.754 22.071 5.683 1.00 0.00 C ATOM 814 OE1 GLU A 52 -59.848 21.823 5.208 1.00 0.00 O ATOM 815 OE2 GLU A 52 -57.996 22.912 5.241 1.00 0.00 O ATOM 0 H GLU A 52 -61.851 22.047 9.691 1.00 0.00 H new ATOM 0 HA GLU A 52 -60.805 21.877 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -58.713 22.878 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -58.537 21.312 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -57.210 21.308 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -58.564 20.216 6.774 1.00 0.00 H new ATOM 822 N GLY A 53 -59.859 19.292 8.517 1.00 0.00 N ATOM 823 CA GLY A 53 -60.128 17.847 8.766 1.00 0.00 C ATOM 824 C GLY A 53 -59.596 17.035 7.585 1.00 0.00 C ATOM 825 O GLY A 53 -58.527 17.327 7.044 1.00 0.00 O ATOM 0 H GLY A 53 -58.871 19.537 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -59.647 17.528 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -61.198 17.678 8.888 1.00 0.00 H new ATOM 829 N GLU A 54 -60.327 16.034 7.173 1.00 0.00 N ATOM 830 CA GLU A 54 -59.896 15.187 6.014 1.00 0.00 C ATOM 831 C GLU A 54 -58.504 14.577 6.258 1.00 0.00 C ATOM 832 O GLU A 54 -57.824 14.881 7.237 1.00 0.00 O ATOM 833 CB GLU A 54 -59.882 16.040 4.739 1.00 0.00 C ATOM 834 CG GLU A 54 -61.328 16.266 4.264 1.00 0.00 C ATOM 835 CD GLU A 54 -61.860 15.031 3.527 1.00 0.00 C ATOM 836 OE1 GLU A 54 -61.634 13.929 3.990 1.00 0.00 O ATOM 837 OE2 GLU A 54 -62.510 15.211 2.510 1.00 0.00 O ATOM 0 H GLU A 54 -61.216 15.761 7.593 1.00 0.00 H new ATOM 0 HA GLU A 54 -60.604 14.367 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -59.397 16.997 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -59.305 15.542 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -61.966 16.487 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -61.367 17.133 3.605 1.00 0.00 H new ATOM 844 N GLY A 55 -58.074 13.714 5.375 1.00 0.00 N ATOM 845 CA GLY A 55 -56.732 13.064 5.536 1.00 0.00 C ATOM 846 C GLY A 55 -56.876 11.538 5.474 1.00 0.00 C ATOM 847 O GLY A 55 -56.939 10.859 6.495 1.00 0.00 O ATOM 0 H GLY A 55 -58.594 13.428 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.057 13.406 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -56.289 13.357 6.488 1.00 0.00 H new ATOM 943 N LYS A 62 -52.866 17.583 3.894 1.00 0.00 N ATOM 944 CA LYS A 62 -52.558 18.993 3.482 1.00 0.00 C ATOM 945 C LYS A 62 -53.252 19.317 2.147 1.00 0.00 C ATOM 946 O LYS A 62 -53.784 20.406 1.959 1.00 0.00 O ATOM 947 CB LYS A 62 -51.037 19.152 3.333 1.00 0.00 C ATOM 948 CG LYS A 62 -50.696 20.593 2.940 1.00 0.00 C ATOM 949 CD LYS A 62 -49.205 20.846 3.188 1.00 0.00 C ATOM 950 CE LYS A 62 -48.810 22.220 2.637 1.00 0.00 C ATOM 951 NZ LYS A 62 -47.578 22.697 3.335 1.00 0.00 N ATOM 0 HA LYS A 62 -52.926 19.682 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -50.543 18.895 4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -50.663 18.462 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -50.936 20.762 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -51.297 21.293 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -48.992 20.798 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -48.611 20.068 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -48.632 22.156 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -49.623 22.931 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -47.307 23.630 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -47.764 22.772 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -46.804 22.022 3.173 1.00 0.00 H new ATOM 965 N LYS A 63 -53.261 18.385 1.226 1.00 0.00 N ATOM 966 CA LYS A 63 -53.931 18.628 -0.090 1.00 0.00 C ATOM 967 C LYS A 63 -55.459 18.619 0.103 1.00 0.00 C ATOM 968 O LYS A 63 -56.098 19.667 0.156 1.00 0.00 O ATOM 969 CB LYS A 63 -53.524 17.520 -1.077 1.00 0.00 C ATOM 970 CG LYS A 63 -52.289 17.954 -1.880 1.00 0.00 C ATOM 971 CD LYS A 63 -52.692 18.996 -2.936 1.00 0.00 C ATOM 972 CE LYS A 63 -53.622 18.367 -3.981 1.00 0.00 C ATOM 973 NZ LYS A 63 -52.852 18.091 -5.231 1.00 0.00 N ATOM 0 H LYS A 63 -52.833 17.465 1.329 1.00 0.00 H new ATOM 0 HA LYS A 63 -53.626 19.597 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -53.309 16.600 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -54.350 17.305 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -51.538 18.373 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -51.837 17.089 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -53.192 19.837 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -51.801 19.392 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -54.050 17.443 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -54.454 19.038 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -53.482 17.664 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -52.464 18.981 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -52.073 17.435 -5.021 1.00 0.00 H new ATOM 987 N ARG A 64 -56.048 17.449 0.213 1.00 0.00 N ATOM 988 CA ARG A 64 -57.534 17.340 0.400 1.00 0.00 C ATOM 989 C ARG A 64 -58.054 18.437 1.345 1.00 0.00 C ATOM 990 O ARG A 64 -59.101 19.037 1.096 1.00 0.00 O ATOM 991 CB ARG A 64 -57.860 15.962 0.984 1.00 0.00 C ATOM 992 CG ARG A 64 -59.376 15.739 0.965 1.00 0.00 C ATOM 993 CD ARG A 64 -59.696 14.443 0.216 1.00 0.00 C ATOM 994 NE ARG A 64 -60.672 13.643 1.018 1.00 0.00 N ATOM 995 CZ ARG A 64 -60.402 12.428 1.373 1.00 0.00 C ATOM 996 NH1 ARG A 64 -59.938 11.587 0.515 1.00 0.00 N ATOM 997 NH2 ARG A 64 -60.605 12.055 2.584 1.00 0.00 N ATOM 0 H ARG A 64 -55.557 16.555 0.181 1.00 0.00 H new ATOM 0 HA ARG A 64 -58.021 17.467 -0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -57.361 15.184 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -57.485 15.891 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -59.758 15.686 1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -59.871 16.581 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -60.112 14.669 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -58.784 13.869 0.052 1.00 0.00 H new ATOM 0 HE ARG A 64 -61.562 14.060 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -59.781 11.877 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -59.727 10.631 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -60.979 12.716 3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -60.393 11.098 2.865 1.00 0.00 H new ATOM 1011 N ALA A 65 -57.346 18.714 2.412 1.00 0.00 N ATOM 1012 CA ALA A 65 -57.796 19.777 3.355 1.00 0.00 C ATOM 1013 C ALA A 65 -57.884 21.113 2.598 1.00 0.00 C ATOM 1014 O ALA A 65 -58.966 21.658 2.394 1.00 0.00 O ATOM 1015 CB ALA A 65 -56.789 19.891 4.505 1.00 0.00 C ATOM 0 H ALA A 65 -56.476 18.248 2.668 1.00 0.00 H new ATOM 0 HA ALA A 65 -58.776 19.527 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -57.114 20.667 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -56.728 18.938 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -55.808 20.149 4.105 1.00 0.00 H new ATOM 1021 N ALA A 66 -56.767 21.637 2.157 1.00 0.00 N ATOM 1022 CA ALA A 66 -56.782 22.927 1.399 1.00 0.00 C ATOM 1023 C ALA A 66 -57.800 22.851 0.252 1.00 0.00 C ATOM 1024 O ALA A 66 -58.591 23.776 0.044 1.00 0.00 O ATOM 1025 CB ALA A 66 -55.385 23.197 0.836 1.00 0.00 C ATOM 0 H ALA A 66 -55.843 21.226 2.290 1.00 0.00 H new ATOM 0 HA ALA A 66 -57.069 23.737 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -55.391 24.136 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -54.669 23.263 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -55.098 22.384 0.168 1.00 0.00 H new ATOM 1031 N GLU A 67 -57.805 21.769 -0.486 1.00 0.00 N ATOM 1032 CA GLU A 67 -58.781 21.622 -1.610 1.00 0.00 C ATOM 1033 C GLU A 67 -60.201 21.884 -1.089 1.00 0.00 C ATOM 1034 O GLU A 67 -60.938 22.712 -1.623 1.00 0.00 O ATOM 1035 CB GLU A 67 -58.694 20.194 -2.165 1.00 0.00 C ATOM 1036 CG GLU A 67 -57.755 20.160 -3.381 1.00 0.00 C ATOM 1037 CD GLU A 67 -56.532 19.295 -3.075 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -55.579 19.825 -2.536 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -56.556 18.119 -3.402 1.00 0.00 O ATOM 0 H GLU A 67 -57.173 20.979 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 67 -58.548 22.337 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -58.328 19.517 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -59.686 19.845 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -58.284 19.763 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -57.440 21.172 -3.636 1.00 0.00 H new ATOM 1046 N LYS A 68 -60.589 21.196 -0.048 1.00 0.00 N ATOM 1047 CA LYS A 68 -61.955 21.385 0.535 1.00 0.00 C ATOM 1048 C LYS A 68 -62.084 22.786 1.155 1.00 0.00 C ATOM 1049 O LYS A 68 -63.040 23.512 0.889 1.00 0.00 O ATOM 1050 CB LYS A 68 -62.179 20.331 1.623 1.00 0.00 C ATOM 1051 CG LYS A 68 -63.416 19.494 1.295 1.00 0.00 C ATOM 1052 CD LYS A 68 -63.328 18.168 2.052 1.00 0.00 C ATOM 1053 CE LYS A 68 -64.730 17.660 2.378 1.00 0.00 C ATOM 1054 NZ LYS A 68 -64.611 16.414 3.186 1.00 0.00 N ATOM 0 H LYS A 68 -60.013 20.503 0.430 1.00 0.00 H new ATOM 0 HA LYS A 68 -62.699 21.280 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -61.304 19.686 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -62.305 20.817 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -64.321 20.031 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -63.476 19.313 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -62.796 17.431 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -62.758 18.301 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -65.287 18.417 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -65.284 17.463 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -65.555 16.001 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -64.007 15.732 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -64.188 16.638 4.109 1.00 0.00 H new ATOM 1068 N MET A 69 -61.150 23.170 1.987 1.00 0.00 N ATOM 1069 CA MET A 69 -61.217 24.513 2.642 1.00 0.00 C ATOM 1070 C MET A 69 -61.401 25.617 1.590 1.00 0.00 C ATOM 1071 O MET A 69 -62.325 26.427 1.675 1.00 0.00 O ATOM 1072 CB MET A 69 -59.920 24.758 3.426 1.00 0.00 C ATOM 1073 CG MET A 69 -60.252 25.285 4.826 1.00 0.00 C ATOM 1074 SD MET A 69 -59.409 26.866 5.094 1.00 0.00 S ATOM 1075 CE MET A 69 -59.855 27.065 6.836 1.00 0.00 C ATOM 0 H MET A 69 -60.338 22.608 2.243 1.00 0.00 H new ATOM 0 HA MET A 69 -62.070 24.535 3.320 1.00 0.00 H new ATOM 0 HB2 MET A 69 -59.350 23.832 3.502 1.00 0.00 H new ATOM 0 HB3 MET A 69 -59.294 25.476 2.896 1.00 0.00 H new ATOM 0 HG2 MET A 69 -61.329 25.413 4.932 1.00 0.00 H new ATOM 0 HG3 MET A 69 -59.941 24.563 5.581 1.00 0.00 H new ATOM 0 HE1 MET A 69 -59.049 27.578 7.362 1.00 0.00 H new ATOM 0 HE2 MET A 69 -60.770 27.653 6.913 1.00 0.00 H new ATOM 0 HE3 MET A 69 -60.015 26.085 7.285 1.00 0.00 H new ATOM 1085 N LEU A 70 -60.538 25.683 0.610 1.00 0.00 N ATOM 1086 CA LEU A 70 -60.666 26.755 -0.421 1.00 0.00 C ATOM 1087 C LEU A 70 -61.858 26.501 -1.355 1.00 0.00 C ATOM 1088 O LEU A 70 -62.579 27.435 -1.691 1.00 0.00 O ATOM 1089 CB LEU A 70 -59.370 26.836 -1.226 1.00 0.00 C ATOM 1090 CG LEU A 70 -58.419 27.882 -0.618 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -58.403 29.127 -1.500 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -58.857 28.288 0.794 1.00 0.00 C ATOM 0 H LEU A 70 -59.754 25.044 0.479 1.00 0.00 H new ATOM 0 HA LEU A 70 -60.846 27.703 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -58.884 25.860 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -59.594 27.098 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 70 -57.426 27.436 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -57.730 29.869 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -58.059 28.860 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -59.409 29.542 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -58.162 29.028 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -59.859 28.715 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -58.861 27.410 1.440 1.00 0.00 H new ATOM 1104 N VAL A 71 -62.104 25.285 -1.782 1.00 0.00 N ATOM 1105 CA VAL A 71 -63.279 25.057 -2.688 1.00 0.00 C ATOM 1106 C VAL A 71 -64.547 25.646 -2.039 1.00 0.00 C ATOM 1107 O VAL A 71 -65.466 26.096 -2.730 1.00 0.00 O ATOM 1108 CB VAL A 71 -63.456 23.556 -2.981 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -64.344 22.895 -1.924 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -64.109 23.388 -4.354 1.00 0.00 C ATOM 0 H VAL A 71 -61.557 24.456 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 71 -63.102 25.560 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 71 -62.476 23.080 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -64.454 21.835 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -63.886 23.009 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -65.325 23.370 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -64.238 22.327 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -65.082 23.879 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -63.473 23.838 -5.117 1.00 0.00 H new ATOM 1120 N GLU A 72 -64.605 25.676 -0.728 1.00 0.00 N ATOM 1121 CA GLU A 72 -65.794 26.262 -0.035 1.00 0.00 C ATOM 1122 C GLU A 72 -65.540 27.756 0.242 1.00 0.00 C ATOM 1123 O GLU A 72 -66.362 28.615 -0.082 1.00 0.00 O ATOM 1124 CB GLU A 72 -66.024 25.529 1.301 1.00 0.00 C ATOM 1125 CG GLU A 72 -67.264 24.606 1.238 1.00 0.00 C ATOM 1126 CD GLU A 72 -68.226 25.027 0.126 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -68.909 26.021 0.296 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -68.253 24.352 -0.893 1.00 0.00 O ATOM 0 H GLU A 72 -63.878 25.319 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 72 -66.674 26.151 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -65.142 24.938 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -66.153 26.259 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -66.944 23.577 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -67.783 24.628 2.196 1.00 0.00 H new ATOM 1135 N LEU A 73 -64.415 28.079 0.836 1.00 0.00 N ATOM 1136 CA LEU A 73 -64.092 29.513 1.153 1.00 0.00 C ATOM 1137 C LEU A 73 -63.905 30.351 -0.126 1.00 0.00 C ATOM 1138 O LEU A 73 -63.950 31.578 -0.084 1.00 0.00 O ATOM 1139 CB LEU A 73 -62.809 29.571 1.986 1.00 0.00 C ATOM 1140 CG LEU A 73 -63.010 28.804 3.294 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -61.655 28.517 3.930 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -63.844 29.643 4.258 1.00 0.00 C ATOM 0 H LEU A 73 -63.700 27.408 1.118 1.00 0.00 H new ATOM 0 HA LEU A 73 -64.929 29.931 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -61.979 29.141 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -62.547 30.608 2.197 1.00 0.00 H new ATOM 0 HG LEU A 73 -63.525 27.867 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -61.799 27.970 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -61.052 27.918 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -61.143 29.457 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -63.986 29.094 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -63.328 30.581 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -64.815 29.854 3.810 1.00 0.00 H new ATOM 1154 N GLN A 74 -63.698 29.731 -1.257 1.00 0.00 N ATOM 1155 CA GLN A 74 -63.517 30.516 -2.522 1.00 0.00 C ATOM 1156 C GLN A 74 -64.880 31.029 -3.036 1.00 0.00 C ATOM 1157 O GLN A 74 -64.985 31.523 -4.156 1.00 0.00 O ATOM 1158 CB GLN A 74 -62.886 29.614 -3.589 1.00 0.00 C ATOM 1159 CG GLN A 74 -61.357 29.624 -3.448 1.00 0.00 C ATOM 1160 CD GLN A 74 -60.733 28.722 -4.515 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -60.415 27.570 -4.254 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -60.535 29.184 -5.711 1.00 0.00 N ATOM 0 H GLN A 74 -63.646 28.718 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 74 -62.870 31.369 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -63.262 28.596 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -63.170 29.959 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -60.980 30.641 -3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -61.072 29.279 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -60.797 30.143 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -60.117 28.588 -6.425 1.00 0.00 H new ATOM 1171 N LYS A 75 -65.923 30.907 -2.249 1.00 0.00 N ATOM 1172 CA LYS A 75 -67.275 31.371 -2.700 1.00 0.00 C ATOM 1173 C LYS A 75 -67.804 32.486 -1.786 1.00 0.00 C ATOM 1174 O LYS A 75 -68.364 33.475 -2.256 1.00 0.00 O ATOM 1175 CB LYS A 75 -68.243 30.187 -2.650 1.00 0.00 C ATOM 1176 CG LYS A 75 -67.831 29.136 -3.682 1.00 0.00 C ATOM 1177 CD LYS A 75 -68.827 27.972 -3.644 1.00 0.00 C ATOM 1178 CE LYS A 75 -68.554 27.097 -2.416 1.00 0.00 C ATOM 1179 NZ LYS A 75 -67.873 25.842 -2.843 1.00 0.00 N ATOM 0 H LYS A 75 -65.896 30.505 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 75 -67.193 31.761 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -68.244 29.749 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -69.259 30.528 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -67.808 29.577 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -66.824 28.776 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -69.847 28.355 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -68.740 27.377 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -67.931 27.637 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -69.489 26.861 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -68.113 25.075 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -68.186 25.586 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -66.843 25.989 -2.843 1.00 0.00 H new ATOM 1193 N LEU A 76 -67.663 32.330 -0.498 1.00 0.00 N ATOM 1194 CA LEU A 76 -68.171 33.357 0.455 1.00 0.00 C ATOM 1195 C LEU A 76 -67.026 34.248 0.965 1.00 0.00 C ATOM 1196 O LEU A 76 -67.274 35.418 1.193 1.00 0.00 O ATOM 1197 CB LEU A 76 -68.814 32.645 1.641 1.00 0.00 C ATOM 1198 CG LEU A 76 -70.015 31.836 1.166 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -70.339 30.770 2.205 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -71.216 32.763 0.996 1.00 0.00 C ATOM 1201 OXT LEU A 76 -65.921 33.751 1.137 1.00 0.00 O ATOM 0 H LEU A 76 -67.213 31.526 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 76 -68.897 33.987 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -68.088 31.988 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -69.127 33.374 2.389 1.00 0.00 H new ATOM 0 HG LEU A 76 -69.786 31.362 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -71.198 30.187 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -69.480 30.111 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -70.572 31.248 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -72.076 32.186 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -71.450 33.234 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -70.981 33.532 0.260 1.00 0.00 H new