USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 9 ASN :FLIP amide:sc= -0.509 F(o=-2,f=-1.4) USER MOD Set 1.2: B 11 LYS NZ :NH3+ -115:sc= -0.853! (180deg=-3.27!) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 46 MET CE :methyl -132:sc= -0.179 (180deg=-3.6!) USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.132 K(o=-0.31,f=-0.88) USER MOD Set 4.1: A 8 THR OG1 : rot 160:sc= 0 USER MOD Set 4.2: A 11 MET CE :methyl -125:sc= -1.56 (180deg=-5.14!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -4.66! C(o=-7!,f=-4.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.2) USER MOD Single : A 23 MET CE :methyl -137:sc= -3.23! (180deg=-7.05!) USER MOD Single : A 33 GLN : amide:sc= -0.0625 X(o=-0.062,f=-0.44) USER MOD Single : A 35 MET CE :methyl -164:sc= -4.38! (180deg=-5.01!) USER MOD Single : A 36 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.8!) USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.369 USER MOD Single : A 42 LYS NZ :NH3+ -139:sc= 0.325 (180deg=-1.43) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 52 ASN : amide:sc= -2.22! C(o=-2.2!,f=-3.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.22) USER MOD Single : A 58 MET CE :methyl -145:sc= -1.79 (180deg=-2.41) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= 1.19 (180deg=-0.245) USER MOD Single : A 77 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.095) USER MOD Single : B 5 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.03) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.083 F(o=-1.2,f=-0.083) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 150:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.486 -6.511 -6.123 1.00 0.00 N ATOM 95 CA THR A 8 -9.038 -5.569 -5.162 1.00 0.00 C ATOM 96 C THR A 8 -10.064 -4.670 -5.836 1.00 0.00 C ATOM 97 O THR A 8 -10.987 -4.176 -5.191 1.00 0.00 O ATOM 98 CB THR A 8 -7.925 -4.725 -4.534 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.442 -3.901 -3.504 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.216 -3.832 -5.526 1.00 0.00 C ATOM 0 HA THR A 8 -9.531 -6.133 -4.370 1.00 0.00 H new ATOM 0 HB THR A 8 -7.205 -5.443 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.713 -3.620 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.440 -3.263 -5.014 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.762 -4.443 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.933 -3.145 -5.975 1.00 0.00 H new ATOM 108 N ALA A 9 -9.914 -4.484 -7.145 1.00 0.00 N ATOM 109 CA ALA A 9 -10.878 -3.711 -7.912 1.00 0.00 C ATOM 110 C ALA A 9 -12.250 -4.359 -7.795 1.00 0.00 C ATOM 111 O ALA A 9 -13.262 -3.681 -7.609 1.00 0.00 O ATOM 112 CB ALA A 9 -10.451 -3.610 -9.369 1.00 0.00 C ATOM 0 H ALA A 9 -9.138 -4.857 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.926 -2.699 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.186 -3.028 -9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.479 -3.120 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.381 -4.610 -9.798 1.00 0.00 H new ATOM 118 N SER A 10 -12.262 -5.688 -7.856 1.00 0.00 N ATOM 119 CA SER A 10 -13.489 -6.450 -7.687 1.00 0.00 C ATOM 120 C SER A 10 -13.981 -6.310 -6.253 1.00 0.00 C ATOM 121 O SER A 10 -15.184 -6.250 -6.001 1.00 0.00 O ATOM 122 CB SER A 10 -13.259 -7.923 -8.026 1.00 0.00 C ATOM 123 OG SER A 10 -14.487 -8.600 -8.228 1.00 0.00 O ATOM 0 H SER A 10 -11.432 -6.258 -8.022 1.00 0.00 H new ATOM 0 HA SER A 10 -14.245 -6.058 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.646 -8.001 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.705 -8.402 -7.219 1.00 0.00 H new ATOM 0 HG SER A 10 -14.311 -9.539 -8.445 1.00 0.00 H new ATOM 129 N MET A 11 -13.033 -6.206 -5.323 1.00 0.00 N ATOM 130 CA MET A 11 -13.368 -6.020 -3.916 1.00 0.00 C ATOM 131 C MET A 11 -14.071 -4.687 -3.716 1.00 0.00 C ATOM 132 O MET A 11 -14.988 -4.572 -2.905 1.00 0.00 O ATOM 133 CB MET A 11 -12.108 -6.065 -3.051 1.00 0.00 C ATOM 134 CG MET A 11 -11.306 -7.343 -3.206 1.00 0.00 C ATOM 135 SD MET A 11 -10.646 -7.943 -1.639 1.00 0.00 S ATOM 136 CE MET A 11 -9.679 -6.529 -1.115 1.00 0.00 C ATOM 0 H MET A 11 -12.033 -6.247 -5.519 1.00 0.00 H new ATOM 0 HA MET A 11 -14.033 -6.830 -3.615 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.474 -5.216 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.392 -5.950 -2.005 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.938 -8.113 -3.648 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.483 -7.169 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.653 -6.841 -0.922 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.686 -5.772 -1.899 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.109 -6.112 -0.204 1.00 0.00 H new ATOM 146 N LEU A 12 -13.627 -3.680 -4.464 1.00 0.00 N ATOM 147 CA LEU A 12 -14.212 -2.350 -4.385 1.00 0.00 C ATOM 148 C LEU A 12 -15.715 -2.414 -4.607 1.00 0.00 C ATOM 149 O LEU A 12 -16.485 -1.791 -3.883 1.00 0.00 O ATOM 150 CB LEU A 12 -13.563 -1.424 -5.419 1.00 0.00 C ATOM 151 CG LEU A 12 -12.062 -1.183 -5.232 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.595 -0.029 -6.106 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.738 -0.907 -3.771 1.00 0.00 C ATOM 0 H LEU A 12 -12.861 -3.763 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.027 -1.949 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.726 -1.844 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.075 -0.462 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.532 -2.085 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.526 0.128 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.788 -0.264 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.136 0.877 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.667 -0.739 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.280 -0.022 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.035 -1.763 -3.165 1.00 0.00 H new ATOM 165 N ALA A 13 -16.122 -3.158 -5.629 1.00 0.00 N ATOM 166 CA ALA A 13 -17.535 -3.329 -5.932 1.00 0.00 C ATOM 167 C ALA A 13 -18.240 -4.113 -4.834 1.00 0.00 C ATOM 168 O ALA A 13 -19.398 -3.846 -4.513 1.00 0.00 O ATOM 169 CB ALA A 13 -17.706 -4.018 -7.278 1.00 0.00 C ATOM 0 H ALA A 13 -15.492 -3.652 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.994 -2.342 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.768 -4.140 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.246 -3.412 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.227 -4.997 -7.249 1.00 0.00 H new ATOM 175 N SER A 14 -17.538 -5.089 -4.265 1.00 0.00 N ATOM 176 CA SER A 14 -18.105 -5.916 -3.207 1.00 0.00 C ATOM 177 C SER A 14 -17.608 -5.469 -1.837 1.00 0.00 C ATOM 178 O SER A 14 -17.269 -6.296 -0.989 1.00 0.00 O ATOM 179 CB SER A 14 -17.749 -7.388 -3.439 1.00 0.00 C ATOM 180 OG SER A 14 -18.889 -8.132 -3.833 1.00 0.00 O ATOM 0 H SER A 14 -16.579 -5.325 -4.519 1.00 0.00 H new ATOM 0 HA SER A 14 -19.189 -5.801 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.979 -7.463 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.331 -7.813 -2.526 1.00 0.00 H new ATOM 0 HG SER A 14 -18.635 -9.068 -3.977 1.00 0.00 H new ATOM 186 N ALA A 15 -17.641 -4.160 -1.594 1.00 0.00 N ATOM 187 CA ALA A 15 -17.151 -3.615 -0.332 1.00 0.00 C ATOM 188 C ALA A 15 -18.107 -2.598 0.310 1.00 0.00 C ATOM 189 O ALA A 15 -18.332 -2.660 1.517 1.00 0.00 O ATOM 190 CB ALA A 15 -15.788 -2.985 -0.536 1.00 0.00 C ATOM 0 H ALA A 15 -17.999 -3.464 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.081 -4.454 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.429 -2.580 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.089 -3.739 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.865 -2.181 -1.268 1.00 0.00 H new ATOM 241 N GLU A 19 -16.401 0.349 3.441 1.00 0.00 N ATOM 242 CA GLU A 19 -15.426 -0.735 3.510 1.00 0.00 C ATOM 243 C GLU A 19 -14.065 -0.275 2.999 1.00 0.00 C ATOM 244 O GLU A 19 -13.188 -1.093 2.729 1.00 0.00 O ATOM 245 CB GLU A 19 -15.898 -1.936 2.699 1.00 0.00 C ATOM 246 CG GLU A 19 -15.910 -3.237 3.484 1.00 0.00 C ATOM 247 CD GLU A 19 -16.997 -3.270 4.541 1.00 0.00 C ATOM 248 OE1 GLU A 19 -18.089 -2.721 4.286 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.756 -3.847 5.622 1.00 0.00 O ATOM 0 HA GLU A 19 -15.329 -1.028 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.903 -1.738 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.251 -2.053 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.052 -4.071 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.940 -3.378 3.961 1.00 0.00 H new ATOM 256 N GLN A 20 -13.909 1.035 2.842 1.00 0.00 N ATOM 257 CA GLN A 20 -12.667 1.613 2.337 1.00 0.00 C ATOM 258 C GLN A 20 -11.447 1.023 3.038 1.00 0.00 C ATOM 259 O GLN A 20 -10.562 0.459 2.397 1.00 0.00 O ATOM 260 CB GLN A 20 -12.678 3.135 2.515 1.00 0.00 C ATOM 261 CG GLN A 20 -13.411 3.600 3.763 1.00 0.00 C ATOM 262 CD GLN A 20 -12.582 4.549 4.606 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.442 4.068 5.091 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.961 5.700 4.821 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.632 1.721 3.059 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.600 1.371 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.650 3.495 2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.143 3.591 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.338 4.094 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.686 2.732 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.844 6.028 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.393 6.326 5.391 1.00 0.00 H new ATOM 273 N LYS A 21 -11.419 1.131 4.358 1.00 0.00 N ATOM 274 CA LYS A 21 -10.292 0.639 5.140 1.00 0.00 C ATOM 275 C LYS A 21 -10.025 -0.841 4.874 1.00 0.00 C ATOM 276 O LYS A 21 -8.925 -1.332 5.121 1.00 0.00 O ATOM 277 CB LYS A 21 -10.543 0.858 6.636 1.00 0.00 C ATOM 278 CG LYS A 21 -12.016 0.948 7.012 1.00 0.00 C ATOM 279 CD LYS A 21 -12.742 -0.363 6.761 1.00 0.00 C ATOM 280 CE LYS A 21 -12.852 -1.190 8.030 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.151 -1.913 8.114 1.00 0.00 N ATOM 0 H LYS A 21 -12.164 1.555 4.911 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.411 1.203 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.086 0.041 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.043 1.775 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.107 1.219 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.491 1.743 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.739 -0.159 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.212 -0.934 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.034 -1.909 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.743 -0.539 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.185 -2.465 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.932 -1.226 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.245 -2.554 7.300 1.00 0.00 H new ATOM 295 N GLN A 22 -11.037 -1.554 4.396 1.00 0.00 N ATOM 296 CA GLN A 22 -10.895 -2.976 4.099 1.00 0.00 C ATOM 297 C GLN A 22 -10.068 -3.209 2.834 1.00 0.00 C ATOM 298 O GLN A 22 -8.893 -3.571 2.904 1.00 0.00 O ATOM 299 CB GLN A 22 -12.269 -3.634 3.951 1.00 0.00 C ATOM 300 CG GLN A 22 -12.208 -5.067 3.447 1.00 0.00 C ATOM 301 CD GLN A 22 -12.260 -6.086 4.569 1.00 0.00 C ATOM 302 OE1 GLN A 22 -12.064 -5.753 5.738 1.00 0.00 O ATOM 303 NE2 GLN A 22 -12.524 -7.340 4.217 1.00 0.00 N ATOM 0 H GLN A 22 -11.964 -1.173 4.206 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.367 -3.432 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.775 -3.619 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.874 -3.042 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.039 -5.243 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.290 -5.208 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.680 -7.572 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.571 -8.070 4.928 1.00 0.00 H new ATOM 312 N MET A 23 -10.713 -3.053 1.681 1.00 0.00 N ATOM 313 CA MET A 23 -10.073 -3.316 0.392 1.00 0.00 C ATOM 314 C MET A 23 -8.995 -2.285 0.043 1.00 0.00 C ATOM 315 O MET A 23 -7.835 -2.423 0.433 1.00 0.00 O ATOM 316 CB MET A 23 -11.122 -3.378 -0.732 1.00 0.00 C ATOM 317 CG MET A 23 -12.474 -2.782 -0.364 1.00 0.00 C ATOM 318 SD MET A 23 -12.392 -1.005 -0.068 1.00 0.00 S ATOM 319 CE MET A 23 -13.763 -0.421 -1.062 1.00 0.00 C ATOM 0 H MET A 23 -11.683 -2.744 1.612 1.00 0.00 H new ATOM 0 HA MET A 23 -9.578 -4.283 0.484 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.733 -2.854 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.264 -4.419 -1.023 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.185 -2.980 -1.166 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.855 -3.278 0.529 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.463 0.476 -1.605 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.053 -1.195 -1.772 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.608 -0.188 -0.415 1.00 0.00 H new ATOM 329 N LEU A 24 -9.383 -1.284 -0.745 1.00 0.00 N ATOM 330 CA LEU A 24 -8.462 -0.270 -1.255 1.00 0.00 C ATOM 331 C LEU A 24 -7.748 0.516 -0.158 1.00 0.00 C ATOM 332 O LEU A 24 -6.943 1.399 -0.458 1.00 0.00 O ATOM 333 CB LEU A 24 -9.235 0.693 -2.174 1.00 0.00 C ATOM 334 CG LEU A 24 -9.847 1.949 -1.525 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.852 2.588 -2.467 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.513 1.634 -0.201 1.00 0.00 C ATOM 0 H LEU A 24 -10.348 -1.153 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.682 -0.794 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.561 1.017 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.040 0.133 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.032 2.646 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.278 3.475 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.353 2.872 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.648 1.876 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.931 2.547 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.311 0.909 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.776 1.219 0.487 1.00 0.00 H new ATOM 348 N GLY A 25 -8.064 0.243 1.106 1.00 0.00 N ATOM 349 CA GLY A 25 -7.494 1.049 2.165 1.00 0.00 C ATOM 350 C GLY A 25 -8.007 2.458 2.018 1.00 0.00 C ATOM 351 O GLY A 25 -9.212 2.689 2.070 1.00 0.00 O ATOM 0 H GLY A 25 -8.689 -0.504 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.769 0.645 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.406 1.034 2.109 1.00 0.00 H new ATOM 355 N GLU A 26 -7.112 3.396 1.768 1.00 0.00 N ATOM 356 CA GLU A 26 -7.538 4.719 1.364 1.00 0.00 C ATOM 357 C GLU A 26 -7.960 4.629 -0.097 1.00 0.00 C ATOM 358 O GLU A 26 -9.141 4.695 -0.435 1.00 0.00 O ATOM 359 CB GLU A 26 -6.414 5.743 1.545 1.00 0.00 C ATOM 360 CG GLU A 26 -6.632 6.679 2.722 1.00 0.00 C ATOM 361 CD GLU A 26 -6.447 5.986 4.058 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.293 5.654 4.399 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.457 5.774 4.761 1.00 0.00 O ATOM 0 H GLU A 26 -6.102 3.268 1.836 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.368 5.055 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.470 5.215 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.321 6.333 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.936 7.515 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.638 7.096 2.669 1.00 0.00 H new ATOM 370 N ARG A 27 -6.956 4.419 -0.941 1.00 0.00 N ATOM 371 CA ARG A 27 -7.135 4.185 -2.369 1.00 0.00 C ATOM 372 C ARG A 27 -5.880 3.505 -2.900 1.00 0.00 C ATOM 373 O ARG A 27 -5.663 3.404 -4.102 1.00 0.00 O ATOM 374 CB ARG A 27 -7.377 5.501 -3.113 1.00 0.00 C ATOM 375 CG ARG A 27 -7.934 5.318 -4.518 1.00 0.00 C ATOM 376 CD ARG A 27 -9.195 4.470 -4.511 1.00 0.00 C ATOM 377 NE ARG A 27 -10.304 5.122 -5.202 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.370 4.477 -5.667 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.470 3.162 -5.523 1.00 0.00 N ATOM 380 NH2 ARG A 27 -12.337 5.147 -6.279 1.00 0.00 N ATOM 0 H ARG A 27 -5.979 4.406 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.007 3.551 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.069 6.113 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.438 6.052 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.152 6.293 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.181 4.847 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.988 3.511 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.484 4.261 -3.481 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.258 6.132 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.728 2.642 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.289 2.671 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.264 6.158 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.154 4.651 -6.635 1.00 0.00 H new ATOM 394 N LEU A 28 -5.063 3.039 -1.962 1.00 0.00 N ATOM 395 CA LEU A 28 -3.757 2.463 -2.256 1.00 0.00 C ATOM 396 C LEU A 28 -3.819 1.273 -3.211 1.00 0.00 C ATOM 397 O LEU A 28 -3.466 1.386 -4.383 1.00 0.00 O ATOM 398 CB LEU A 28 -3.114 2.007 -0.940 1.00 0.00 C ATOM 399 CG LEU A 28 -2.269 3.046 -0.200 1.00 0.00 C ATOM 400 CD1 LEU A 28 -0.982 3.324 -0.956 1.00 0.00 C ATOM 401 CD2 LEU A 28 -3.053 4.327 0.023 1.00 0.00 C ATOM 0 H LEU A 28 -5.291 3.051 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.169 3.237 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.906 1.672 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.485 1.141 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.010 2.639 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.395 4.065 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.408 2.402 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.219 3.704 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.429 5.048 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.353 4.742 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.941 4.111 0.618 1.00 0.00 H new ATOM 413 N PHE A 29 -4.194 0.119 -2.667 1.00 0.00 N ATOM 414 CA PHE A 29 -4.203 -1.144 -3.403 1.00 0.00 C ATOM 415 C PHE A 29 -4.641 -1.005 -4.869 1.00 0.00 C ATOM 416 O PHE A 29 -3.976 -1.536 -5.751 1.00 0.00 O ATOM 417 CB PHE A 29 -5.084 -2.169 -2.680 1.00 0.00 C ATOM 418 CG PHE A 29 -4.401 -3.492 -2.446 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.708 -4.125 -3.468 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.455 -4.101 -1.202 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.080 -5.337 -3.249 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.827 -5.311 -0.980 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.146 -5.933 -2.007 1.00 0.00 C ATOM 0 H PHE A 29 -4.502 0.032 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.170 -1.490 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.396 -1.756 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.989 -2.335 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.659 -3.666 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.994 -3.624 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.538 -5.817 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.869 -5.770 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.665 -6.885 -1.838 1.00 0.00 H new ATOM 433 N PRO A 30 -5.765 -0.317 -5.165 1.00 0.00 N ATOM 434 CA PRO A 30 -6.266 -0.192 -6.542 1.00 0.00 C ATOM 435 C PRO A 30 -5.267 0.457 -7.501 1.00 0.00 C ATOM 436 O PRO A 30 -5.083 -0.014 -8.628 1.00 0.00 O ATOM 437 CB PRO A 30 -7.521 0.679 -6.409 1.00 0.00 C ATOM 438 CG PRO A 30 -7.434 1.300 -5.058 1.00 0.00 C ATOM 439 CD PRO A 30 -6.663 0.336 -4.203 1.00 0.00 C ATOM 0 HA PRO A 30 -6.456 -1.176 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.555 1.440 -7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.426 0.080 -6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.932 2.266 -5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.428 1.477 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.108 0.849 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.320 -0.382 -3.713 1.00 0.00 H new ATOM 447 N LEU A 31 -4.608 1.526 -7.061 1.00 0.00 N ATOM 448 CA LEU A 31 -3.656 2.215 -7.937 1.00 0.00 C ATOM 449 C LEU A 31 -2.413 1.365 -8.136 1.00 0.00 C ATOM 450 O LEU A 31 -1.949 1.171 -9.263 1.00 0.00 O ATOM 451 CB LEU A 31 -3.256 3.591 -7.388 1.00 0.00 C ATOM 452 CG LEU A 31 -4.003 4.055 -6.143 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.026 4.531 -5.080 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.997 5.152 -6.490 1.00 0.00 C ATOM 0 H LEU A 31 -4.709 1.928 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.155 2.369 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.190 3.575 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.405 4.331 -8.174 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.559 3.208 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.578 4.858 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.358 3.714 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.440 5.363 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.519 5.469 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.466 6.002 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.719 4.773 -7.213 1.00 0.00 H new ATOM 466 N ILE A 32 -1.887 0.833 -7.043 1.00 0.00 N ATOM 467 CA ILE A 32 -0.723 -0.026 -7.124 1.00 0.00 C ATOM 468 C ILE A 32 -1.114 -1.377 -7.700 1.00 0.00 C ATOM 469 O ILE A 32 -0.257 -2.170 -8.075 1.00 0.00 O ATOM 470 CB ILE A 32 -0.049 -0.228 -5.756 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.477 0.878 -4.783 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.463 -0.246 -5.923 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.224 0.830 -3.443 1.00 0.00 C ATOM 0 H ILE A 32 -2.246 0.981 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.004 0.468 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.364 -1.185 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.287 1.847 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.553 0.808 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.935 -0.389 -4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.746 -1.062 -6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.793 0.701 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.135 1.645 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.014 -0.123 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.299 0.933 -3.591 1.00 0.00 H new ATOM 485 N GLN A 33 -2.419 -1.632 -7.778 1.00 0.00 N ATOM 486 CA GLN A 33 -2.910 -2.866 -8.377 1.00 0.00 C ATOM 487 C GLN A 33 -2.483 -2.898 -9.832 1.00 0.00 C ATOM 488 O GLN A 33 -2.022 -3.920 -10.338 1.00 0.00 O ATOM 489 CB GLN A 33 -4.431 -2.967 -8.258 1.00 0.00 C ATOM 490 CG GLN A 33 -5.020 -4.186 -8.953 1.00 0.00 C ATOM 491 CD GLN A 33 -4.381 -5.484 -8.498 1.00 0.00 C ATOM 492 OE1 GLN A 33 -4.526 -5.890 -7.345 1.00 0.00 O ATOM 493 NE2 GLN A 33 -3.668 -6.142 -9.405 1.00 0.00 N ATOM 0 H GLN A 33 -3.148 -1.005 -7.437 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.487 -3.720 -7.848 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.703 -2.995 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.880 -2.067 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.092 -4.226 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.893 -4.081 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.574 -5.768 -10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.214 -7.021 -9.157 1.00 0.00 H new ATOM 502 N ALA A 34 -2.573 -1.743 -10.479 1.00 0.00 N ATOM 503 CA ALA A 34 -2.095 -1.606 -11.845 1.00 0.00 C ATOM 504 C ALA A 34 -0.575 -1.737 -11.857 1.00 0.00 C ATOM 505 O ALA A 34 0.016 -2.232 -12.817 1.00 0.00 O ATOM 506 CB ALA A 34 -2.529 -0.273 -12.435 1.00 0.00 C ATOM 0 H ALA A 34 -2.971 -0.892 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.528 -2.394 -12.461 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.161 -0.191 -13.458 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.617 -0.212 -12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.120 0.541 -11.836 1.00 0.00 H new ATOM 512 N MET A 35 0.042 -1.326 -10.748 1.00 0.00 N ATOM 513 CA MET A 35 1.492 -1.413 -10.580 1.00 0.00 C ATOM 514 C MET A 35 1.855 -2.608 -9.703 1.00 0.00 C ATOM 515 O MET A 35 2.882 -2.606 -9.023 1.00 0.00 O ATOM 516 CB MET A 35 2.023 -0.130 -9.941 1.00 0.00 C ATOM 517 CG MET A 35 1.389 1.125 -10.506 1.00 0.00 C ATOM 518 SD MET A 35 2.039 2.633 -9.769 1.00 0.00 S ATOM 519 CE MET A 35 0.522 3.546 -9.510 1.00 0.00 C ATOM 0 H MET A 35 -0.446 -0.926 -9.947 1.00 0.00 H new ATOM 0 HA MET A 35 1.947 -1.543 -11.562 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.845 -0.167 -8.866 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.102 -0.080 -10.084 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.551 1.154 -11.583 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.311 1.084 -10.347 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.755 4.595 -9.330 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.109 3.461 -10.394 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.005 3.138 -8.647 1.00 0.00 H new ATOM 529 N HIS A 36 0.994 -3.622 -9.716 1.00 0.00 N ATOM 530 CA HIS A 36 1.184 -4.808 -8.888 1.00 0.00 C ATOM 531 C HIS A 36 2.450 -5.600 -9.250 1.00 0.00 C ATOM 532 O HIS A 36 3.049 -6.207 -8.362 1.00 0.00 O ATOM 533 CB HIS A 36 -0.058 -5.704 -8.943 1.00 0.00 C ATOM 534 CG HIS A 36 0.053 -6.865 -9.887 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.762 -7.994 -9.553 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.475 -7.023 -11.125 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.656 -8.808 -10.588 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.084 -8.261 -11.564 1.00 0.00 N ATOM 0 H HIS A 36 0.154 -3.645 -10.294 1.00 0.00 H new ATOM 0 HA HIS A 36 1.326 -4.458 -7.866 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.261 -6.084 -7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.916 -5.097 -9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.085 -6.312 -11.661 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.107 -9.788 -10.641 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.312 -8.686 -12.463 1.00 0.00 H new ATOM 546 N PRO A 37 2.888 -5.624 -10.541 1.00 0.00 N ATOM 547 CA PRO A 37 4.103 -6.344 -10.941 1.00 0.00 C ATOM 548 C PRO A 37 5.189 -6.271 -9.873 1.00 0.00 C ATOM 549 O PRO A 37 5.949 -7.220 -9.676 1.00 0.00 O ATOM 550 CB PRO A 37 4.527 -5.602 -12.202 1.00 0.00 C ATOM 551 CG PRO A 37 3.243 -5.182 -12.831 1.00 0.00 C ATOM 552 CD PRO A 37 2.263 -4.955 -11.704 1.00 0.00 C ATOM 0 HA PRO A 37 3.934 -7.410 -11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.154 -4.742 -11.966 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.104 -6.245 -12.867 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.378 -4.272 -13.416 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.877 -5.949 -13.514 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.110 -3.892 -11.517 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.287 -5.383 -11.933 1.00 0.00 H new ATOM 560 N THR A 38 5.222 -5.152 -9.154 1.00 0.00 N ATOM 561 CA THR A 38 6.148 -4.979 -8.046 1.00 0.00 C ATOM 562 C THR A 38 5.625 -5.729 -6.822 1.00 0.00 C ATOM 563 O THR A 38 5.936 -6.905 -6.628 1.00 0.00 O ATOM 564 CB THR A 38 6.321 -3.492 -7.727 1.00 0.00 C ATOM 565 OG1 THR A 38 6.499 -2.743 -8.917 1.00 0.00 O ATOM 566 CG2 THR A 38 7.496 -3.201 -6.820 1.00 0.00 C ATOM 0 H THR A 38 4.614 -4.350 -9.322 1.00 0.00 H new ATOM 0 HA THR A 38 7.121 -5.385 -8.324 1.00 0.00 H new ATOM 0 HB THR A 38 5.407 -3.202 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.882 -1.981 -8.919 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.557 -2.128 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.363 -3.724 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.416 -3.541 -7.296 1.00 0.00 H new ATOM 574 N LEU A 39 4.804 -5.053 -6.018 1.00 0.00 N ATOM 575 CA LEU A 39 4.197 -5.677 -4.846 1.00 0.00 C ATOM 576 C LEU A 39 3.146 -4.764 -4.216 1.00 0.00 C ATOM 577 O LEU A 39 3.282 -4.352 -3.063 1.00 0.00 O ATOM 578 CB LEU A 39 5.265 -6.041 -3.813 1.00 0.00 C ATOM 579 CG LEU A 39 5.248 -7.502 -3.358 1.00 0.00 C ATOM 580 CD1 LEU A 39 6.606 -7.905 -2.803 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.157 -7.725 -2.322 1.00 0.00 C ATOM 0 H LEU A 39 4.546 -4.076 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 39 3.702 -6.590 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.246 -5.817 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.138 -5.402 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 39 5.033 -8.130 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.574 -8.947 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.365 -7.785 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.853 -7.272 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.160 -8.769 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.341 -7.087 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.188 -7.478 -2.755 1.00 0.00 H new ATOM 593 N ALA A 40 2.091 -4.467 -4.974 1.00 0.00 N ATOM 594 CA ALA A 40 1.009 -3.606 -4.497 1.00 0.00 C ATOM 595 C ALA A 40 0.554 -3.998 -3.094 1.00 0.00 C ATOM 596 O ALA A 40 0.182 -3.144 -2.292 1.00 0.00 O ATOM 597 CB ALA A 40 -0.169 -3.660 -5.461 1.00 0.00 C ATOM 0 H ALA A 40 1.962 -4.812 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 40 1.393 -2.587 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.968 -3.015 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.151 -3.319 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.534 -4.685 -5.533 1.00 0.00 H new ATOM 603 N GLY A 41 0.587 -5.297 -2.809 1.00 0.00 N ATOM 604 CA GLY A 41 0.146 -5.795 -1.517 1.00 0.00 C ATOM 605 C GLY A 41 0.808 -5.112 -0.341 1.00 0.00 C ATOM 606 O GLY A 41 0.129 -4.655 0.576 1.00 0.00 O ATOM 0 H GLY A 41 0.913 -6.017 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.934 -5.668 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.346 -6.865 -1.463 1.00 0.00 H new ATOM 610 N LYS A 42 2.131 -5.095 -0.326 1.00 0.00 N ATOM 611 CA LYS A 42 2.858 -4.492 0.781 1.00 0.00 C ATOM 612 C LYS A 42 2.880 -2.969 0.682 1.00 0.00 C ATOM 613 O LYS A 42 2.768 -2.276 1.693 1.00 0.00 O ATOM 614 CB LYS A 42 4.287 -5.035 0.860 1.00 0.00 C ATOM 615 CG LYS A 42 4.999 -4.718 2.174 1.00 0.00 C ATOM 616 CD LYS A 42 4.025 -4.549 3.337 1.00 0.00 C ATOM 617 CE LYS A 42 3.493 -5.884 3.831 1.00 0.00 C ATOM 618 NZ LYS A 42 4.348 -6.463 4.902 1.00 0.00 N ATOM 0 H LYS A 42 2.720 -5.488 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 42 2.329 -4.762 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.262 -6.116 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.868 -4.623 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.702 -5.518 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.583 -3.805 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.525 -4.032 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.192 -3.920 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.479 -5.753 4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.435 -6.582 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.447 -7.487 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.287 -6.017 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.908 -6.291 5.829 1.00 0.00 H new ATOM 632 N ILE A 43 3.030 -2.451 -0.533 1.00 0.00 N ATOM 633 CA ILE A 43 3.078 -1.007 -0.740 1.00 0.00 C ATOM 634 C ILE A 43 1.857 -0.324 -0.126 1.00 0.00 C ATOM 635 O ILE A 43 1.998 0.582 0.695 1.00 0.00 O ATOM 636 CB ILE A 43 3.175 -0.645 -2.231 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.276 -1.469 -2.905 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.449 0.840 -2.391 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.323 -1.307 -4.408 1.00 0.00 C ATOM 0 H ILE A 43 3.120 -3.005 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 43 3.978 -0.648 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 43 2.225 -0.877 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.241 -1.181 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.127 -2.522 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.516 1.086 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.639 1.410 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.389 1.091 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.127 -1.920 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.372 -1.623 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.503 -0.261 -4.656 1.00 0.00 H new ATOM 651 N THR A 44 0.661 -0.778 -0.503 1.00 0.00 N ATOM 652 CA THR A 44 -0.571 -0.230 0.051 1.00 0.00 C ATOM 653 C THR A 44 -0.495 -0.203 1.572 1.00 0.00 C ATOM 654 O THR A 44 -0.808 0.804 2.201 1.00 0.00 O ATOM 655 CB THR A 44 -1.774 -1.069 -0.394 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.971 -0.576 0.177 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.665 -2.524 -0.010 1.00 0.00 C ATOM 0 H THR A 44 0.523 -1.521 -1.188 1.00 0.00 H new ATOM 0 HA THR A 44 -0.695 0.788 -0.318 1.00 0.00 H new ATOM 0 HB THR A 44 -1.787 -0.990 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.726 -1.125 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.550 -3.059 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.777 -2.956 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.590 -2.610 1.074 1.00 0.00 H new ATOM 665 N GLY A 45 -0.034 -1.311 2.144 1.00 0.00 N ATOM 666 CA GLY A 45 0.088 -1.420 3.586 1.00 0.00 C ATOM 667 C GLY A 45 0.832 -0.257 4.213 1.00 0.00 C ATOM 668 O GLY A 45 0.247 0.527 4.954 1.00 0.00 O ATOM 0 H GLY A 45 0.259 -2.141 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.908 -1.484 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.605 -2.348 3.831 1.00 0.00 H new ATOM 672 N MET A 46 2.126 -0.153 3.927 1.00 0.00 N ATOM 673 CA MET A 46 2.958 0.902 4.506 1.00 0.00 C ATOM 674 C MET A 46 2.395 2.292 4.215 1.00 0.00 C ATOM 675 O MET A 46 2.330 3.138 5.106 1.00 0.00 O ATOM 676 CB MET A 46 4.400 0.805 3.991 1.00 0.00 C ATOM 677 CG MET A 46 4.546 0.050 2.679 1.00 0.00 C ATOM 678 SD MET A 46 5.676 -1.351 2.805 1.00 0.00 S ATOM 679 CE MET A 46 7.259 -0.517 2.746 1.00 0.00 C ATOM 0 H MET A 46 2.623 -0.785 3.299 1.00 0.00 H new ATOM 0 HA MET A 46 2.955 0.755 5.586 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.796 1.812 3.863 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.012 0.315 4.749 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.567 -0.306 2.358 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.905 0.733 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.907 -1.017 2.026 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.113 0.520 2.443 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.722 -0.545 3.732 1.00 0.00 H new ATOM 689 N LEU A 47 2.007 2.530 2.967 1.00 0.00 N ATOM 690 CA LEU A 47 1.478 3.833 2.574 1.00 0.00 C ATOM 691 C LEU A 47 0.012 3.987 2.971 1.00 0.00 C ATOM 692 O LEU A 47 -0.612 5.007 2.677 1.00 0.00 O ATOM 693 CB LEU A 47 1.639 4.050 1.066 1.00 0.00 C ATOM 694 CG LEU A 47 3.079 4.259 0.579 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.766 5.353 1.384 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.868 2.960 0.658 1.00 0.00 C ATOM 0 H LEU A 47 2.048 1.843 2.214 1.00 0.00 H new ATOM 0 HA LEU A 47 2.053 4.591 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.219 3.189 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.046 4.918 0.776 1.00 0.00 H new ATOM 0 HG LEU A 47 3.043 4.574 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.786 5.485 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.217 6.288 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.788 5.071 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.886 3.131 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.893 2.612 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.391 2.206 0.032 1.00 0.00 H new ATOM 708 N LEU A 48 -0.532 2.979 3.649 1.00 0.00 N ATOM 709 CA LEU A 48 -1.923 3.026 4.094 1.00 0.00 C ATOM 710 C LEU A 48 -2.114 4.121 5.139 1.00 0.00 C ATOM 711 O LEU A 48 -3.238 4.442 5.520 1.00 0.00 O ATOM 712 CB LEU A 48 -2.363 1.668 4.658 1.00 0.00 C ATOM 713 CG LEU A 48 -3.742 1.181 4.204 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.742 2.321 4.166 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.648 0.514 2.844 1.00 0.00 C ATOM 0 H LEU A 48 -0.035 2.125 3.901 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.547 3.256 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.622 0.920 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.358 1.727 5.746 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.095 0.449 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.711 1.944 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.837 2.755 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.397 3.085 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.637 0.174 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.267 1.228 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.973 -0.340 2.903 1.00 0.00 H new ATOM 727 N GLU A 49 -1.007 4.705 5.582 1.00 0.00 N ATOM 728 CA GLU A 49 -1.049 5.789 6.556 1.00 0.00 C ATOM 729 C GLU A 49 -1.303 7.120 5.858 1.00 0.00 C ATOM 730 O GLU A 49 -1.046 8.188 6.416 1.00 0.00 O ATOM 731 CB GLU A 49 0.263 5.850 7.338 1.00 0.00 C ATOM 732 CG GLU A 49 0.418 4.730 8.353 1.00 0.00 C ATOM 733 CD GLU A 49 0.388 5.235 9.782 1.00 0.00 C ATOM 734 OE1 GLU A 49 -0.722 5.406 10.327 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.475 5.466 10.353 1.00 0.00 O ATOM 0 H GLU A 49 -0.067 4.445 5.282 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.865 5.597 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.097 5.812 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.325 6.808 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.381 4.002 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.359 4.209 8.174 1.00 0.00 H new ATOM 742 N ILE A 50 -1.806 7.043 4.631 1.00 0.00 N ATOM 743 CA ILE A 50 -2.086 8.231 3.836 1.00 0.00 C ATOM 744 C ILE A 50 -3.450 8.823 4.198 1.00 0.00 C ATOM 745 O ILE A 50 -4.269 8.168 4.842 1.00 0.00 O ATOM 746 CB ILE A 50 -2.025 7.907 2.325 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.298 9.020 1.568 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.417 7.685 1.745 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.891 8.626 0.165 1.00 0.00 C ATOM 0 H ILE A 50 -2.029 6.164 4.164 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.320 8.972 4.062 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.465 6.979 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.943 9.897 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.409 9.310 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.336 7.460 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.896 6.851 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.016 8.586 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.381 9.462 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.220 7.768 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.778 8.364 -0.411 1.00 0.00 H new ATOM 761 N ASP A 51 -3.677 10.071 3.796 1.00 0.00 N ATOM 762 CA ASP A 51 -4.929 10.757 4.093 1.00 0.00 C ATOM 763 C ASP A 51 -6.087 10.180 3.291 1.00 0.00 C ATOM 764 O ASP A 51 -5.888 9.594 2.227 1.00 0.00 O ATOM 765 CB ASP A 51 -4.799 12.248 3.784 1.00 0.00 C ATOM 766 CG ASP A 51 -4.102 13.014 4.891 1.00 0.00 C ATOM 767 OD1 ASP A 51 -3.190 12.443 5.526 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.467 14.185 5.124 1.00 0.00 O ATOM 0 H ASP A 51 -3.009 10.627 3.263 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.137 10.614 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.245 12.376 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.791 12.670 3.624 1.00 0.00 H new ATOM 773 N ASN A 52 -7.301 10.386 3.792 1.00 0.00 N ATOM 774 CA ASN A 52 -8.499 9.929 3.102 1.00 0.00 C ATOM 775 C ASN A 52 -8.955 10.982 2.097 1.00 0.00 C ATOM 776 O ASN A 52 -9.547 10.663 1.066 1.00 0.00 O ATOM 777 CB ASN A 52 -9.617 9.631 4.103 1.00 0.00 C ATOM 778 CG ASN A 52 -9.569 8.205 4.615 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.905 7.913 5.610 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.276 7.305 3.937 1.00 0.00 N ATOM 0 H ASN A 52 -7.480 10.867 4.674 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.264 9.008 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.540 10.319 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.582 9.812 3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.282 6.330 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.813 7.590 3.118 1.00 0.00 H new ATOM 787 N SER A 53 -8.655 12.241 2.394 1.00 0.00 N ATOM 788 CA SER A 53 -8.988 13.334 1.491 1.00 0.00 C ATOM 789 C SER A 53 -8.045 13.315 0.294 1.00 0.00 C ATOM 790 O SER A 53 -8.429 13.661 -0.825 1.00 0.00 O ATOM 791 CB SER A 53 -8.891 14.677 2.215 1.00 0.00 C ATOM 792 OG SER A 53 -10.037 14.907 3.017 1.00 0.00 O ATOM 0 H SER A 53 -8.183 12.529 3.251 1.00 0.00 H new ATOM 0 HA SER A 53 -10.013 13.204 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.997 14.694 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.786 15.480 1.486 1.00 0.00 H new ATOM 0 HG SER A 53 -9.950 15.771 3.471 1.00 0.00 H new ATOM 798 N GLU A 54 -6.815 12.875 0.539 1.00 0.00 N ATOM 799 CA GLU A 54 -5.811 12.773 -0.509 1.00 0.00 C ATOM 800 C GLU A 54 -6.080 11.561 -1.391 1.00 0.00 C ATOM 801 O GLU A 54 -5.747 11.558 -2.577 1.00 0.00 O ATOM 802 CB GLU A 54 -4.414 12.662 0.103 1.00 0.00 C ATOM 803 CG GLU A 54 -3.853 13.987 0.591 1.00 0.00 C ATOM 804 CD GLU A 54 -2.467 14.270 0.046 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.178 13.845 -1.093 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.668 14.912 0.759 1.00 0.00 O ATOM 0 H GLU A 54 -6.490 12.582 1.461 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.864 13.674 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.448 11.962 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.735 12.241 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.526 14.792 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.817 13.983 1.680 1.00 0.00 H new ATOM 813 N LEU A 55 -6.684 10.531 -0.804 1.00 0.00 N ATOM 814 CA LEU A 55 -6.993 9.310 -1.537 1.00 0.00 C ATOM 815 C LEU A 55 -7.909 9.613 -2.717 1.00 0.00 C ATOM 816 O LEU A 55 -7.646 9.194 -3.845 1.00 0.00 O ATOM 817 CB LEU A 55 -7.618 8.261 -0.599 1.00 0.00 C ATOM 818 CG LEU A 55 -9.151 8.259 -0.487 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.784 7.475 -1.628 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.580 7.671 0.850 1.00 0.00 C ATOM 0 H LEU A 55 -6.968 10.519 0.176 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.065 8.895 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.300 7.273 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.204 8.408 0.399 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.495 9.291 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.869 7.491 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.505 7.928 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.432 6.444 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.668 7.675 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.215 6.647 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.164 8.269 1.661 1.00 0.00 H new ATOM 832 N LEU A 56 -8.962 10.375 -2.455 1.00 0.00 N ATOM 833 CA LEU A 56 -9.910 10.751 -3.497 1.00 0.00 C ATOM 834 C LEU A 56 -9.220 11.567 -4.585 1.00 0.00 C ATOM 835 O LEU A 56 -9.479 11.379 -5.774 1.00 0.00 O ATOM 836 CB LEU A 56 -11.071 11.551 -2.900 1.00 0.00 C ATOM 837 CG LEU A 56 -12.029 12.168 -3.922 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.729 11.081 -4.725 1.00 0.00 C ATOM 839 CD2 LEU A 56 -13.047 13.059 -3.228 1.00 0.00 C ATOM 0 H LEU A 56 -9.182 10.745 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.303 9.838 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.641 10.897 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.661 12.349 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.448 12.781 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.406 11.540 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.986 10.484 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.297 10.440 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.720 13.489 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.623 12.468 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.529 13.860 -2.700 1.00 0.00 H new ATOM 851 N HIS A 57 -8.336 12.470 -4.169 1.00 0.00 N ATOM 852 CA HIS A 57 -7.610 13.317 -5.109 1.00 0.00 C ATOM 853 C HIS A 57 -6.666 12.492 -5.978 1.00 0.00 C ATOM 854 O HIS A 57 -6.405 12.843 -7.127 1.00 0.00 O ATOM 855 CB HIS A 57 -6.820 14.387 -4.355 1.00 0.00 C ATOM 856 CG HIS A 57 -7.423 15.754 -4.451 1.00 0.00 C ATOM 857 ND1 HIS A 57 -8.786 15.938 -4.449 1.00 0.00 N ATOM 858 CD2 HIS A 57 -6.813 16.960 -4.548 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.976 17.241 -4.545 1.00 0.00 C ATOM 860 NE2 HIS A 57 -7.809 17.900 -4.608 1.00 0.00 N ATOM 0 H HIS A 57 -8.106 12.633 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.340 13.799 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.749 14.103 -3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.803 14.419 -4.746 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.749 17.145 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.946 17.715 -4.570 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.686 18.910 -4.686 1.00 0.00 H new ATOM 868 N MET A 58 -6.153 11.397 -5.423 1.00 0.00 N ATOM 869 CA MET A 58 -5.230 10.530 -6.151 1.00 0.00 C ATOM 870 C MET A 58 -5.925 9.869 -7.336 1.00 0.00 C ATOM 871 O MET A 58 -5.461 9.973 -8.471 1.00 0.00 O ATOM 872 CB MET A 58 -4.659 9.460 -5.217 1.00 0.00 C ATOM 873 CG MET A 58 -3.607 9.976 -4.244 1.00 0.00 C ATOM 874 SD MET A 58 -3.325 11.755 -4.370 1.00 0.00 S ATOM 875 CE MET A 58 -2.016 11.808 -5.591 1.00 0.00 C ATOM 0 H MET A 58 -6.360 11.089 -4.473 1.00 0.00 H new ATOM 0 HA MET A 58 -4.414 11.146 -6.529 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.476 9.016 -4.649 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.221 8.664 -5.820 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.915 9.736 -3.226 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.668 9.453 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.334 12.625 -5.358 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.470 10.865 -5.580 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.447 11.966 -6.580 1.00 0.00 H new ATOM 885 N LEU A 59 -7.034 9.185 -7.068 1.00 0.00 N ATOM 886 CA LEU A 59 -7.796 8.534 -8.128 1.00 0.00 C ATOM 887 C LEU A 59 -8.396 9.577 -9.057 1.00 0.00 C ATOM 888 O LEU A 59 -8.850 9.263 -10.157 1.00 0.00 O ATOM 889 CB LEU A 59 -8.895 7.647 -7.545 1.00 0.00 C ATOM 890 CG LEU A 59 -9.353 6.513 -8.462 1.00 0.00 C ATOM 891 CD1 LEU A 59 -8.940 5.164 -7.893 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.858 6.574 -8.668 1.00 0.00 C ATOM 0 H LEU A 59 -7.423 9.068 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.117 7.901 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.538 7.218 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.756 8.270 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.869 6.634 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.275 4.370 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.855 5.125 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.394 5.029 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.169 5.760 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.361 6.478 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.125 7.528 -9.123 1.00 0.00 H new ATOM 904 N GLU A 60 -8.364 10.825 -8.611 1.00 0.00 N ATOM 905 CA GLU A 60 -8.852 11.933 -9.411 1.00 0.00 C ATOM 906 C GLU A 60 -7.688 12.579 -10.156 1.00 0.00 C ATOM 907 O GLU A 60 -7.878 13.351 -11.097 1.00 0.00 O ATOM 908 CB GLU A 60 -9.555 12.958 -8.515 1.00 0.00 C ATOM 909 CG GLU A 60 -9.961 14.236 -9.231 1.00 0.00 C ATOM 910 CD GLU A 60 -11.350 14.151 -9.834 1.00 0.00 C ATOM 911 OE1 GLU A 60 -11.601 13.209 -10.614 1.00 0.00 O ATOM 912 OE2 GLU A 60 -12.185 15.026 -9.526 1.00 0.00 O ATOM 0 H GLU A 60 -8.003 11.093 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.573 11.563 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.444 12.498 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.895 13.213 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.924 15.069 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.239 14.451 -10.019 1.00 0.00 H new ATOM 919 N SER A 61 -6.478 12.213 -9.744 1.00 0.00 N ATOM 920 CA SER A 61 -5.260 12.732 -10.351 1.00 0.00 C ATOM 921 C SER A 61 -4.395 11.596 -10.880 1.00 0.00 C ATOM 922 O SER A 61 -3.433 11.199 -10.233 1.00 0.00 O ATOM 923 CB SER A 61 -4.464 13.540 -9.323 1.00 0.00 C ATOM 924 OG SER A 61 -4.962 14.863 -9.211 1.00 0.00 O ATOM 0 H SER A 61 -6.316 11.552 -8.984 1.00 0.00 H new ATOM 0 HA SER A 61 -5.543 13.377 -11.183 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.514 13.047 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.414 13.568 -9.613 1.00 0.00 H new ATOM 0 HG SER A 61 -4.436 15.355 -8.547 1.00 0.00 H new ATOM 930 N PRO A 62 -4.724 11.050 -12.062 1.00 0.00 N ATOM 931 CA PRO A 62 -3.959 9.951 -12.660 1.00 0.00 C ATOM 932 C PRO A 62 -2.476 10.286 -12.793 1.00 0.00 C ATOM 933 O PRO A 62 -1.619 9.410 -12.667 1.00 0.00 O ATOM 934 CB PRO A 62 -4.595 9.764 -14.045 1.00 0.00 C ATOM 935 CG PRO A 62 -5.430 10.981 -14.271 1.00 0.00 C ATOM 936 CD PRO A 62 -5.853 11.454 -12.912 1.00 0.00 C ATOM 0 HA PRO A 62 -3.997 9.053 -12.044 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.832 9.664 -14.817 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.203 8.860 -14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.862 11.752 -14.793 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.297 10.749 -14.890 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.011 12.532 -12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.786 10.989 -12.594 1.00 0.00 H new ATOM 944 N GLU A 63 -2.180 11.554 -13.055 1.00 0.00 N ATOM 945 CA GLU A 63 -0.802 12.006 -13.212 1.00 0.00 C ATOM 946 C GLU A 63 -0.108 12.169 -11.862 1.00 0.00 C ATOM 947 O GLU A 63 1.009 11.687 -11.667 1.00 0.00 O ATOM 948 CB GLU A 63 -0.766 13.330 -13.978 1.00 0.00 C ATOM 949 CG GLU A 63 -1.620 13.330 -15.235 1.00 0.00 C ATOM 950 CD GLU A 63 -1.670 14.689 -15.907 1.00 0.00 C ATOM 951 OE1 GLU A 63 -0.592 15.231 -16.229 1.00 0.00 O ATOM 952 OE2 GLU A 63 -2.787 15.209 -16.111 1.00 0.00 O ATOM 0 H GLU A 63 -2.878 12.290 -13.164 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.265 11.244 -13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.104 14.130 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.265 13.555 -14.250 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.226 12.596 -15.938 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.633 13.017 -14.982 1.00 0.00 H new ATOM 959 N SER A 64 -0.762 12.872 -10.942 1.00 0.00 N ATOM 960 CA SER A 64 -0.193 13.125 -9.622 1.00 0.00 C ATOM 961 C SER A 64 -0.168 11.858 -8.775 1.00 0.00 C ATOM 962 O SER A 64 0.610 11.746 -7.828 1.00 0.00 O ATOM 963 CB SER A 64 -0.997 14.209 -8.901 1.00 0.00 C ATOM 964 OG SER A 64 -1.312 15.279 -9.776 1.00 0.00 O ATOM 0 H SER A 64 -1.687 13.277 -11.086 1.00 0.00 H new ATOM 0 HA SER A 64 0.834 13.463 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.916 13.779 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.426 14.585 -8.052 1.00 0.00 H new ATOM 0 HG SER A 64 -1.827 15.957 -9.291 1.00 0.00 H new ATOM 970 N LEU A 65 -1.037 10.915 -9.114 1.00 0.00 N ATOM 971 CA LEU A 65 -1.145 9.668 -8.372 1.00 0.00 C ATOM 972 C LEU A 65 -0.032 8.695 -8.743 1.00 0.00 C ATOM 973 O LEU A 65 0.779 8.323 -7.898 1.00 0.00 O ATOM 974 CB LEU A 65 -2.511 9.029 -8.631 1.00 0.00 C ATOM 975 CG LEU A 65 -2.529 7.500 -8.624 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.229 6.974 -7.230 1.00 0.00 C ATOM 977 CD2 LEU A 65 -3.866 6.981 -9.126 1.00 0.00 C ATOM 0 H LEU A 65 -1.680 10.992 -9.902 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.043 9.897 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.211 9.388 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.879 9.376 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.752 7.138 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.245 5.884 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.244 7.319 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.982 7.341 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.861 5.891 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.664 7.347 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.033 7.332 -10.144 1.00 0.00 H new ATOM 989 N ARG A 66 -0.031 8.243 -9.995 1.00 0.00 N ATOM 990 CA ARG A 66 0.960 7.277 -10.453 1.00 0.00 C ATOM 991 C ARG A 66 2.369 7.745 -10.116 1.00 0.00 C ATOM 992 O ARG A 66 3.261 6.933 -9.887 1.00 0.00 O ATOM 993 CB ARG A 66 0.826 7.036 -11.954 1.00 0.00 C ATOM 994 CG ARG A 66 1.125 5.601 -12.361 1.00 0.00 C ATOM 995 CD ARG A 66 0.000 5.015 -13.197 1.00 0.00 C ATOM 996 NE ARG A 66 -1.175 4.696 -12.388 1.00 0.00 N ATOM 997 CZ ARG A 66 -2.237 4.043 -12.853 1.00 0.00 C ATOM 998 NH1 ARG A 66 -2.274 3.637 -14.115 1.00 0.00 N ATOM 999 NH2 ARG A 66 -3.266 3.793 -12.053 1.00 0.00 N ATOM 0 H ARG A 66 -0.703 8.530 -10.707 1.00 0.00 H new ATOM 0 HA ARG A 66 0.777 6.336 -9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.186 7.292 -12.267 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.503 7.706 -12.485 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.056 5.568 -12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.273 4.992 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.279 5.723 -13.977 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.352 4.112 -13.697 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.181 4.991 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.486 3.825 -14.734 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.091 3.137 -14.466 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.243 4.102 -11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.080 3.292 -12.410 1.00 0.00 H new ATOM 1013 N SER A 67 2.552 9.060 -10.062 1.00 0.00 N ATOM 1014 CA SER A 67 3.843 9.634 -9.701 1.00 0.00 C ATOM 1015 C SER A 67 4.133 9.379 -8.227 1.00 0.00 C ATOM 1016 O SER A 67 5.251 9.023 -7.846 1.00 0.00 O ATOM 1017 CB SER A 67 3.857 11.137 -9.984 1.00 0.00 C ATOM 1018 OG SER A 67 5.181 11.614 -10.149 1.00 0.00 O ATOM 0 H SER A 67 1.825 9.747 -10.263 1.00 0.00 H new ATOM 0 HA SER A 67 4.616 9.158 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.277 11.346 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.375 11.669 -9.164 1.00 0.00 H new ATOM 0 HG SER A 67 5.162 12.577 -10.330 1.00 0.00 H new ATOM 1024 N LYS A 68 3.099 9.523 -7.406 1.00 0.00 N ATOM 1025 CA LYS A 68 3.217 9.290 -5.975 1.00 0.00 C ATOM 1026 C LYS A 68 3.512 7.821 -5.704 1.00 0.00 C ATOM 1027 O LYS A 68 4.553 7.482 -5.142 1.00 0.00 O ATOM 1028 CB LYS A 68 1.926 9.704 -5.267 1.00 0.00 C ATOM 1029 CG LYS A 68 2.107 10.000 -3.787 1.00 0.00 C ATOM 1030 CD LYS A 68 1.031 10.943 -3.273 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.256 10.200 -2.952 1.00 0.00 C ATOM 1032 NZ LYS A 68 -1.208 11.046 -2.179 1.00 0.00 N ATOM 0 H LYS A 68 2.166 9.801 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 68 4.040 9.891 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.521 10.589 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.189 8.910 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.076 9.068 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.090 10.442 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.390 11.453 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.832 11.711 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.729 9.876 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.023 9.301 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.823 10.438 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.676 11.689 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.790 11.603 -2.837 1.00 0.00 H new ATOM 1046 N VAL A 69 2.607 6.950 -6.139 1.00 0.00 N ATOM 1047 CA VAL A 69 2.782 5.515 -5.956 1.00 0.00 C ATOM 1048 C VAL A 69 4.025 5.025 -6.698 1.00 0.00 C ATOM 1049 O VAL A 69 4.579 3.978 -6.370 1.00 0.00 O ATOM 1050 CB VAL A 69 1.539 4.724 -6.415 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.815 3.229 -6.437 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.359 5.027 -5.506 1.00 0.00 C ATOM 0 H VAL A 69 1.747 7.213 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 69 2.914 5.337 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 69 1.296 5.037 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.921 2.699 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.633 3.020 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.089 2.895 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.512 4.463 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.605 4.742 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.136 6.093 -5.542 1.00 0.00 H new ATOM 1062 N ASP A 70 4.487 5.807 -7.674 1.00 0.00 N ATOM 1063 CA ASP A 70 5.710 5.464 -8.390 1.00 0.00 C ATOM 1064 C ASP A 70 6.830 5.255 -7.383 1.00 0.00 C ATOM 1065 O ASP A 70 7.513 4.229 -7.392 1.00 0.00 O ATOM 1066 CB ASP A 70 6.094 6.565 -9.381 1.00 0.00 C ATOM 1067 CG ASP A 70 7.447 6.321 -10.020 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.512 5.542 -10.994 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.442 6.909 -9.546 1.00 0.00 O ATOM 0 H ASP A 70 4.038 6.670 -7.982 1.00 0.00 H new ATOM 0 HA ASP A 70 5.543 4.548 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.334 6.631 -10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.106 7.526 -8.866 1.00 0.00 H new ATOM 1074 N GLU A 71 6.966 6.214 -6.471 1.00 0.00 N ATOM 1075 CA GLU A 71 7.944 6.110 -5.399 1.00 0.00 C ATOM 1076 C GLU A 71 7.557 4.975 -4.461 1.00 0.00 C ATOM 1077 O GLU A 71 8.414 4.299 -3.896 1.00 0.00 O ATOM 1078 CB GLU A 71 8.028 7.420 -4.616 1.00 0.00 C ATOM 1079 CG GLU A 71 9.199 7.476 -3.651 1.00 0.00 C ATOM 1080 CD GLU A 71 9.564 8.893 -3.256 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.871 9.463 -2.386 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.540 9.433 -3.816 1.00 0.00 O ATOM 0 H GLU A 71 6.411 7.070 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 71 8.921 5.905 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.107 8.249 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.102 7.561 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.954 6.905 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.064 6.996 -4.108 1.00 0.00 H new ATOM 1089 N ALA A 72 6.248 4.771 -4.314 1.00 0.00 N ATOM 1090 CA ALA A 72 5.724 3.707 -3.469 1.00 0.00 C ATOM 1091 C ALA A 72 6.246 2.350 -3.932 1.00 0.00 C ATOM 1092 O ALA A 72 6.571 1.486 -3.119 1.00 0.00 O ATOM 1093 CB ALA A 72 4.204 3.736 -3.473 1.00 0.00 C ATOM 0 H ALA A 72 5.531 5.333 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 72 6.067 3.868 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.823 2.936 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.857 4.697 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.840 3.596 -4.491 1.00 0.00 H new ATOM 1099 N VAL A 73 6.346 2.182 -5.248 1.00 0.00 N ATOM 1100 CA VAL A 73 6.882 0.955 -5.821 1.00 0.00 C ATOM 1101 C VAL A 73 8.353 0.814 -5.444 1.00 0.00 C ATOM 1102 O VAL A 73 8.858 -0.294 -5.256 1.00 0.00 O ATOM 1103 CB VAL A 73 6.731 0.941 -7.361 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.696 -0.050 -7.998 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.294 0.628 -7.757 1.00 0.00 C ATOM 0 H VAL A 73 6.063 2.880 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 73 6.316 0.115 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 73 6.980 1.935 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.568 -0.038 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.720 0.230 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.492 -1.051 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.209 0.623 -8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.014 -0.350 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.629 1.387 -7.345 1.00 0.00 H new ATOM 1115 N ALA A 74 9.024 1.953 -5.300 1.00 0.00 N ATOM 1116 CA ALA A 74 10.432 1.972 -4.926 1.00 0.00 C ATOM 1117 C ALA A 74 10.618 1.582 -3.464 1.00 0.00 C ATOM 1118 O ALA A 74 11.587 0.905 -3.116 1.00 0.00 O ATOM 1119 CB ALA A 74 11.034 3.344 -5.192 1.00 0.00 C ATOM 0 H ALA A 74 8.613 2.876 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 74 10.953 1.237 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.086 3.341 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.946 3.581 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.502 4.094 -4.607 1.00 0.00 H new ATOM 1125 N VAL A 75 9.691 2.011 -2.607 1.00 0.00 N ATOM 1126 CA VAL A 75 9.761 1.676 -1.187 1.00 0.00 C ATOM 1127 C VAL A 75 9.781 0.162 -1.010 1.00 0.00 C ATOM 1128 O VAL A 75 10.399 -0.363 -0.084 1.00 0.00 O ATOM 1129 CB VAL A 75 8.588 2.280 -0.375 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.139 3.604 -0.975 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.416 1.311 -0.286 1.00 0.00 C ATOM 0 H VAL A 75 8.890 2.586 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 75 10.683 2.111 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 75 8.950 2.463 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.315 4.009 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.971 4.308 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.809 3.445 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.610 1.766 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.058 1.079 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.739 0.393 0.205 1.00 0.00 H new ATOM 1141 N LEU A 76 9.111 -0.530 -1.927 1.00 0.00 N ATOM 1142 CA LEU A 76 9.054 -1.984 -1.905 1.00 0.00 C ATOM 1143 C LEU A 76 10.405 -2.574 -2.289 1.00 0.00 C ATOM 1144 O LEU A 76 10.931 -3.446 -1.599 1.00 0.00 O ATOM 1145 CB LEU A 76 7.967 -2.477 -2.871 1.00 0.00 C ATOM 1146 CG LEU A 76 7.738 -3.994 -2.906 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.725 -4.665 -3.851 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.831 -4.595 -1.511 1.00 0.00 C ATOM 0 H LEU A 76 8.598 -0.102 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 76 8.808 -2.312 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.027 -1.993 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.224 -2.145 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 76 6.730 -4.173 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.546 -5.740 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.595 -4.266 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.743 -4.470 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.665 -5.671 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.821 -4.402 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.075 -4.143 -0.869 1.00 0.00 H new ATOM 1160 N GLN A 77 10.955 -2.093 -3.399 1.00 0.00 N ATOM 1161 CA GLN A 77 12.248 -2.562 -3.880 1.00 0.00 C ATOM 1162 C GLN A 77 13.311 -2.417 -2.795 1.00 0.00 C ATOM 1163 O GLN A 77 14.185 -3.272 -2.650 1.00 0.00 O ATOM 1164 CB GLN A 77 12.660 -1.782 -5.131 1.00 0.00 C ATOM 1165 CG GLN A 77 11.883 -2.176 -6.377 1.00 0.00 C ATOM 1166 CD GLN A 77 12.701 -3.022 -7.333 1.00 0.00 C ATOM 1167 OE1 GLN A 77 12.255 -4.077 -7.784 1.00 0.00 O ATOM 1168 NE2 GLN A 77 13.905 -2.560 -7.649 1.00 0.00 N ATOM 0 H GLN A 77 10.524 -1.377 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 77 12.159 -3.618 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.520 -0.717 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.724 -1.937 -5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.989 -2.727 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.548 -1.275 -6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.234 -1.680 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.501 -3.085 -8.290 1.00 0.00 H new ATOM 1177 N ALA A 78 13.219 -1.334 -2.029 1.00 0.00 N ATOM 1178 CA ALA A 78 14.159 -1.082 -0.943 1.00 0.00 C ATOM 1179 C ALA A 78 13.774 -1.875 0.302 1.00 0.00 C ATOM 1180 O ALA A 78 14.615 -2.163 1.152 1.00 0.00 O ATOM 1181 CB ALA A 78 14.220 0.403 -0.629 1.00 0.00 C ATOM 0 H ALA A 78 12.502 -0.617 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 78 15.147 -1.411 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.926 0.574 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.546 0.949 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.232 0.753 -0.331 1.00 0.00 H new ATOM 1187 N HIS A 79 12.493 -2.220 0.402 1.00 0.00 N ATOM 1188 CA HIS A 79 11.992 -2.981 1.542 1.00 0.00 C ATOM 1189 C HIS A 79 12.587 -4.385 1.560 1.00 0.00 C ATOM 1190 O HIS A 79 13.166 -4.812 2.558 1.00 0.00 O ATOM 1191 CB HIS A 79 10.464 -3.064 1.495 1.00 0.00 C ATOM 1192 CG HIS A 79 9.833 -3.267 2.838 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.278 -2.591 3.949 1.00 0.00 N ATOM 1194 CD2 HIS A 79 8.802 -4.073 3.193 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.515 -2.995 4.949 1.00 0.00 C ATOM 1196 NE2 HIS A 79 8.608 -3.893 4.538 1.00 0.00 N ATOM 0 H HIS A 79 11.784 -1.985 -0.292 1.00 0.00 H new ATOM 0 HA HIS A 79 12.293 -2.465 2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.072 -2.148 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.173 -3.884 0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.243 -4.729 2.543 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.610 -2.647 5.967 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.906 -4.355 5.117 1.00 0.00 H new ATOM 1538 N ASN B 5 10.162 6.034 2.232 1.00 0.00 N ATOM 1539 CA ASN B 5 10.324 6.983 1.135 1.00 0.00 C ATOM 1540 C ASN B 5 9.179 7.992 1.115 1.00 0.00 C ATOM 1541 O ASN B 5 9.341 9.136 1.540 1.00 0.00 O ATOM 1542 CB ASN B 5 10.390 6.240 -0.202 1.00 0.00 C ATOM 1543 CG ASN B 5 11.792 6.204 -0.776 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.319 5.137 -1.091 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.405 7.374 -0.918 1.00 0.00 N ATOM 0 HA ASN B 5 11.257 7.524 1.289 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.030 5.220 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.721 6.721 -0.915 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.350 7.412 -1.301 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.931 8.235 -0.644 1.00 0.00 H new ATOM 1552 N LEU B 6 8.024 7.559 0.622 1.00 0.00 N ATOM 1553 CA LEU B 6 6.849 8.420 0.555 1.00 0.00 C ATOM 1554 C LEU B 6 6.405 8.841 1.953 1.00 0.00 C ATOM 1555 O LEU B 6 6.785 9.906 2.441 1.00 0.00 O ATOM 1556 CB LEU B 6 5.704 7.698 -0.158 1.00 0.00 C ATOM 1557 CG LEU B 6 5.471 8.111 -1.613 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.346 7.287 -2.219 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.154 9.597 -1.707 1.00 0.00 C ATOM 0 H LEU B 6 7.876 6.616 0.263 1.00 0.00 H new ATOM 0 HA LEU B 6 7.115 9.314 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.900 6.626 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.785 7.869 0.402 1.00 0.00 H new ATOM 0 HG LEU B 6 6.385 7.922 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.190 7.590 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.611 6.230 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.430 7.449 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.992 9.869 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.254 9.814 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.989 10.173 -1.307 1.00 0.00 H new ATOM 1571 N ASN B 7 5.603 7.995 2.593 1.00 0.00 N ATOM 1572 CA ASN B 7 5.114 8.271 3.938 1.00 0.00 C ATOM 1573 C ASN B 7 6.206 8.034 4.971 1.00 0.00 C ATOM 1574 O ASN B 7 6.822 6.968 4.995 1.00 0.00 O ATOM 1575 CB ASN B 7 3.924 7.374 4.263 1.00 0.00 C ATOM 1576 CG ASN B 7 2.883 8.076 5.113 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.856 7.752 6.400 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.114 8.899 4.618 1.00 0.00 N flip ATOM 0 H ASN B 7 5.278 7.112 2.200 1.00 0.00 H new ATOM 0 HA ASN B 7 4.808 9.317 3.973 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.463 7.037 3.335 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.276 6.485 4.786 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.171 9.117 3.623 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.419 9.364 5.202 1.00 0.00 H new ATOM 1585 N PRO B 8 6.439 9.001 5.873 1.00 0.00 N ATOM 1586 CA PRO B 8 7.443 8.864 6.924 1.00 0.00 C ATOM 1587 C PRO B 8 6.989 7.898 8.012 1.00 0.00 C ATOM 1588 O PRO B 8 7.725 7.616 8.957 1.00 0.00 O ATOM 1589 CB PRO B 8 7.591 10.285 7.492 1.00 0.00 C ATOM 1590 CG PRO B 8 6.798 11.173 6.585 1.00 0.00 C ATOM 1591 CD PRO B 8 5.759 10.299 5.944 1.00 0.00 C ATOM 0 HA PRO B 8 8.380 8.459 6.541 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.218 10.338 8.515 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.638 10.588 7.519 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.332 11.984 7.145 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.439 11.632 5.832 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.848 10.248 6.540 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.475 10.663 4.957 1.00 0.00 H new ATOM 1599 N ASN B 9 5.761 7.407 7.871 1.00 0.00 N ATOM 1600 CA ASN B 9 5.191 6.466 8.828 1.00 0.00 C ATOM 1601 C ASN B 9 4.752 5.185 8.126 1.00 0.00 C ATOM 1602 O ASN B 9 3.607 4.753 8.255 1.00 0.00 O ATOM 1603 CB ASN B 9 3.999 7.099 9.548 1.00 0.00 C ATOM 1604 CG ASN B 9 4.389 8.328 10.343 1.00 0.00 C ATOM 1605 OD1 ASN B 9 4.308 8.229 11.665 1.00 0.00 O flip ATOM 1606 ND2 ASN B 9 4.758 9.357 9.777 1.00 0.00 N flip ATOM 0 H ASN B 9 5.139 7.647 7.099 1.00 0.00 H new ATOM 0 HA ASN B 9 5.958 6.217 9.561 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.238 7.370 8.816 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.551 6.364 10.217 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.806 9.390 8.759 1.00 0.00 H new ATOM 0 HD22 ASN B 9 5.016 10.177 10.326 1.00 0.00 H new ATOM 1613 N ALA B 10 5.665 4.599 7.357 1.00 0.00 N ATOM 1614 CA ALA B 10 5.374 3.379 6.614 1.00 0.00 C ATOM 1615 C ALA B 10 4.972 2.234 7.541 1.00 0.00 C ATOM 1616 O ALA B 10 5.823 1.524 8.073 1.00 0.00 O ATOM 1617 CB ALA B 10 6.574 2.978 5.771 1.00 0.00 C ATOM 0 H ALA B 10 6.614 4.951 7.233 1.00 0.00 H new ATOM 0 HA ALA B 10 4.528 3.585 5.958 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.344 2.065 5.221 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.807 3.777 5.067 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.432 2.804 6.420 1.00 0.00 H new ATOM 1623 N LYS B 11 3.666 2.053 7.711 1.00 0.00 N ATOM 1624 CA LYS B 11 3.141 0.970 8.537 1.00 0.00 C ATOM 1625 C LYS B 11 2.229 0.076 7.707 1.00 0.00 C ATOM 1626 O LYS B 11 1.249 0.548 7.136 1.00 0.00 O ATOM 1627 CB LYS B 11 2.374 1.527 9.738 1.00 0.00 C ATOM 1628 CG LYS B 11 3.012 2.761 10.354 1.00 0.00 C ATOM 1629 CD LYS B 11 2.955 2.717 11.873 1.00 0.00 C ATOM 1630 CE LYS B 11 3.980 3.651 12.498 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.751 5.069 12.108 1.00 0.00 N ATOM 0 H LYS B 11 2.950 2.643 7.287 1.00 0.00 H new ATOM 0 HA LYS B 11 3.981 0.381 8.907 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.358 1.771 9.427 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.296 0.751 10.499 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.050 2.836 10.030 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.501 3.654 9.995 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.956 2.995 12.209 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.134 1.698 12.215 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.938 3.562 13.584 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.981 3.348 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.553 5.406 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.877 5.139 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.663 5.654 12.963 1.00 0.00 H new ATOM 1645 N GLU B 12 2.568 -1.210 7.635 1.00 0.00 N ATOM 1646 CA GLU B 12 1.810 -2.175 6.835 1.00 0.00 C ATOM 1647 C GLU B 12 0.308 -2.107 7.111 1.00 0.00 C ATOM 1648 O GLU B 12 -0.148 -1.377 7.989 1.00 0.00 O ATOM 1649 CB GLU B 12 2.319 -3.592 7.106 1.00 0.00 C ATOM 1650 CG GLU B 12 3.824 -3.737 6.953 1.00 0.00 C ATOM 1651 CD GLU B 12 4.410 -4.757 7.910 1.00 0.00 C ATOM 1652 OE1 GLU B 12 3.983 -5.929 7.865 1.00 0.00 O ATOM 1653 OE2 GLU B 12 5.299 -4.383 8.704 1.00 0.00 O ATOM 0 H GLU B 12 3.368 -1.611 8.124 1.00 0.00 H new ATOM 0 HA GLU B 12 1.963 -1.917 5.787 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.035 -3.884 8.117 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.824 -4.283 6.424 1.00 0.00 H new ATOM 0 HG2 GLU B 12 4.055 -4.030 5.929 1.00 0.00 H new ATOM 0 HG3 GLU B 12 4.298 -2.770 7.123 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.450 -2.913 6.370 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.901 -2.962 6.518 1.00 0.00 C ATOM 1662 C PHE B 13 -2.286 -3.958 7.599 1.00 0.00 C ATOM 1663 O PHE B 13 -2.339 -5.165 7.359 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.547 -3.363 5.190 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.834 -2.647 4.860 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.487 -1.857 5.799 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.399 -2.780 3.598 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.670 -1.216 5.483 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.582 -2.140 3.281 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.212 -1.352 4.220 1.00 0.00 C ATOM 0 H PHE B 13 -0.080 -3.543 5.658 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.258 -1.973 6.806 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.833 -3.181 4.387 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.741 -4.436 5.208 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.065 -1.743 6.787 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.908 -3.391 2.855 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.170 -0.609 6.223 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -6.013 -2.257 2.298 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.129 -0.841 3.968 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.417 3.044 9.371 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.907 4.234 8.696 1.00 0.00 C ATOM 1735 C LYS B 18 -7.480 4.536 9.144 1.00 0.00 C ATOM 1736 O LYS B 18 -7.262 5.248 10.124 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.806 5.439 8.982 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.824 5.716 7.887 1.00 0.00 C ATOM 1739 CD LYS B 18 -11.114 7.202 7.760 1.00 0.00 C ATOM 1740 CE LYS B 18 -12.580 7.462 7.453 1.00 0.00 C ATOM 1741 NZ LYS B 18 -12.897 8.916 7.446 1.00 0.00 N ATOM 0 HA LYS B 18 -8.905 4.040 7.623 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.333 5.273 9.922 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.182 6.322 9.118 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.451 5.334 6.937 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.748 5.181 8.104 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.841 7.707 8.686 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -10.495 7.628 6.970 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.830 7.032 6.483 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.201 6.959 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.906 9.050 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.683 9.322 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.324 9.393 6.721 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.513 3.980 8.422 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.106 4.171 8.748 1.00 0.00 C ATOM 1757 C TYR B 19 -4.598 5.506 8.215 1.00 0.00 C ATOM 1758 O TYR B 19 -4.831 5.854 7.059 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.273 3.020 8.174 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.137 2.559 9.067 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -2.963 3.079 10.346 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.240 1.595 8.627 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -1.928 2.653 11.156 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.202 1.164 9.431 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.050 1.696 10.694 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.020 1.268 11.499 1.00 0.00 O ATOM 0 H TYR B 19 -6.679 3.392 7.605 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.004 4.179 9.833 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.932 2.174 7.979 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.861 3.330 7.214 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.649 3.829 10.712 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.355 1.175 7.639 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.807 3.068 12.146 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.513 0.414 9.072 1.00 0.00 H new ATOM 0 HH TYR B 19 0.197 0.336 11.285 1.00 0.00 H new