USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 427 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 Single : A 416 SER OG : rot 180:sc= 0.143 USER MOD Single : A 417 SER OG : rot 89:sc= 0.473 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= -0.0748 X(o=-0.075,f=-0.34) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot 10:sc= 0.654 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -14:sc= 0.153 USER MOD Single : A 449 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 87:sc= 0.24 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 464 SER OG : rot 180:sc= -0.467 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -19.246 0.061 -7.303 1.00 42.45 N ATOM 2 CA GLU A 414 -18.242 0.046 -6.246 1.00 55.32 C ATOM 3 C GLU A 414 -17.263 1.204 -6.408 1.00 25.40 C ATOM 4 O GLU A 414 -16.227 1.068 -7.058 1.00 20.23 O ATOM 5 CB GLU A 414 -17.484 -1.283 -6.252 1.00 21.31 C ATOM 6 CG GLU A 414 -16.569 -1.467 -5.052 1.00 51.24 C ATOM 7 CD GLU A 414 -17.308 -1.979 -3.830 1.00 23.44 C ATOM 8 OE1 GLU A 414 -18.162 -1.239 -3.299 1.00 74.21 O ATOM 9 OE2 GLU A 414 -17.029 -3.120 -3.405 1.00 1.44 O ATOM 0 HA GLU A 414 -18.755 0.159 -5.291 1.00 55.32 H new ATOM 0 HB2 GLU A 414 -18.203 -2.102 -6.279 1.00 21.31 H new ATOM 0 HB3 GLU A 414 -16.891 -1.349 -7.164 1.00 21.31 H new ATOM 0 HG2 GLU A 414 -15.773 -2.165 -5.310 1.00 51.24 H new ATOM 0 HG3 GLU A 414 -16.093 -0.516 -4.813 1.00 51.24 H new ATOM 16 N ALA A 415 -17.601 2.344 -5.815 1.00 23.42 N ATOM 17 CA ALA A 415 -16.751 3.527 -5.892 1.00 0.40 C ATOM 18 C ALA A 415 -15.573 3.420 -4.930 1.00 41.42 C ATOM 19 O ALA A 415 -14.687 4.274 -4.921 1.00 45.14 O ATOM 20 CB ALA A 415 -17.563 4.780 -5.600 1.00 34.24 C ATOM 0 H ALA A 415 -18.457 2.474 -5.276 1.00 23.42 H new ATOM 0 HA ALA A 415 -16.353 3.594 -6.905 1.00 0.40 H new ATOM 0 HB1 ALA A 415 -16.916 5.655 -5.661 1.00 34.24 H new ATOM 0 HB2 ALA A 415 -18.367 4.871 -6.331 1.00 34.24 H new ATOM 0 HB3 ALA A 415 -17.989 4.713 -4.599 1.00 34.24 H new ATOM 26 N SER A 416 -15.570 2.366 -4.120 1.00 31.02 N ATOM 27 CA SER A 416 -14.503 2.151 -3.150 1.00 33.23 C ATOM 28 C SER A 416 -13.218 1.708 -3.845 1.00 42.13 C ATOM 29 O SER A 416 -12.123 1.857 -3.303 1.00 0.45 O ATOM 30 CB SER A 416 -14.926 1.103 -2.119 1.00 34.52 C ATOM 31 OG SER A 416 -16.268 0.698 -2.325 1.00 13.33 O ATOM 0 H SER A 416 -16.294 1.648 -4.116 1.00 31.02 H new ATOM 0 HA SER A 416 -14.313 3.096 -2.640 1.00 33.23 H new ATOM 0 HB2 SER A 416 -14.267 0.237 -2.185 1.00 34.52 H new ATOM 0 HB3 SER A 416 -14.816 1.511 -1.114 1.00 34.52 H new ATOM 0 HG SER A 416 -16.514 0.027 -1.655 1.00 13.33 H new ATOM 37 N SER A 417 -13.361 1.164 -5.049 1.00 71.11 N ATOM 38 CA SER A 417 -12.214 0.696 -5.818 1.00 14.41 C ATOM 39 C SER A 417 -11.245 1.840 -6.098 1.00 22.44 C ATOM 40 O SER A 417 -10.047 1.623 -6.288 1.00 40.01 O ATOM 41 CB SER A 417 -12.677 0.070 -7.135 1.00 51.01 C ATOM 42 OG SER A 417 -13.828 -0.733 -6.941 1.00 15.32 O ATOM 0 H SER A 417 -14.260 1.036 -5.513 1.00 71.11 H new ATOM 0 HA SER A 417 -11.696 -0.060 -5.228 1.00 14.41 H new ATOM 0 HB2 SER A 417 -12.896 0.856 -7.858 1.00 51.01 H new ATOM 0 HB3 SER A 417 -11.874 -0.535 -7.556 1.00 51.01 H new ATOM 0 HG SER A 417 -14.632 -0.181 -7.036 1.00 15.32 H new ATOM 48 N THR A 418 -11.771 3.061 -6.123 1.00 13.35 N ATOM 49 CA THR A 418 -10.954 4.239 -6.381 1.00 44.13 C ATOM 50 C THR A 418 -10.361 4.791 -5.090 1.00 5.11 C ATOM 51 O THR A 418 -9.244 5.308 -5.080 1.00 1.10 O ATOM 52 CB THR A 418 -11.771 5.349 -7.072 1.00 11.23 C ATOM 53 OG1 THR A 418 -12.733 4.767 -7.959 1.00 4.33 O ATOM 54 CG2 THR A 418 -10.861 6.289 -7.847 1.00 21.14 C ATOM 0 H THR A 418 -12.759 3.259 -5.968 1.00 13.35 H new ATOM 0 HA THR A 418 -10.147 3.925 -7.043 1.00 44.13 H new ATOM 0 HB THR A 418 -12.287 5.923 -6.303 1.00 11.23 H new ATOM 0 HG1 THR A 418 -13.250 5.478 -8.393 1.00 4.33 H new ATOM 0 HG21 THR A 418 -11.460 7.063 -8.326 1.00 21.14 H new ATOM 0 HG22 THR A 418 -10.149 6.752 -7.164 1.00 21.14 H new ATOM 0 HG23 THR A 418 -10.320 5.727 -8.608 1.00 21.14 H new ATOM 62 N ALA A 419 -11.114 4.676 -4.001 1.00 41.21 N ATOM 63 CA ALA A 419 -10.661 5.161 -2.703 1.00 30.54 C ATOM 64 C ALA A 419 -9.329 4.527 -2.316 1.00 11.41 C ATOM 65 O ALA A 419 -8.567 5.092 -1.531 1.00 0.10 O ATOM 66 CB ALA A 419 -11.711 4.880 -1.639 1.00 1.21 C ATOM 0 H ALA A 419 -12.041 4.251 -3.992 1.00 41.21 H new ATOM 0 HA ALA A 419 -10.514 6.239 -2.776 1.00 30.54 H new ATOM 0 HB1 ALA A 419 -11.359 5.247 -0.675 1.00 1.21 H new ATOM 0 HB2 ALA A 419 -12.640 5.385 -1.903 1.00 1.21 H new ATOM 0 HB3 ALA A 419 -11.887 3.806 -1.576 1.00 1.21 H new ATOM 72 N ILE A 420 -9.055 3.351 -2.870 1.00 74.23 N ATOM 73 CA ILE A 420 -7.815 2.641 -2.582 1.00 1.13 C ATOM 74 C ILE A 420 -6.605 3.419 -3.090 1.00 55.43 C ATOM 75 O ILE A 420 -5.489 3.235 -2.606 1.00 62.20 O ATOM 76 CB ILE A 420 -7.810 1.236 -3.213 1.00 20.12 C ATOM 77 CG1 ILE A 420 -9.101 0.492 -2.864 1.00 32.01 C ATOM 78 CG2 ILE A 420 -6.595 0.449 -2.745 1.00 11.51 C ATOM 79 CD1 ILE A 420 -9.335 0.353 -1.376 1.00 62.43 C ATOM 0 H ILE A 420 -9.675 2.870 -3.521 1.00 74.23 H new ATOM 0 HA ILE A 420 -7.752 2.543 -1.498 1.00 1.13 H new ATOM 0 HB ILE A 420 -7.755 1.341 -4.297 1.00 20.12 H new ATOM 0 HG12 ILE A 420 -9.946 1.018 -3.309 1.00 32.01 H new ATOM 0 HG13 ILE A 420 -9.072 -0.501 -3.313 1.00 32.01 H new ATOM 0 HG21 ILE A 420 -6.606 -0.542 -3.200 1.00 11.51 H new ATOM 0 HG22 ILE A 420 -5.686 0.974 -3.040 1.00 11.51 H new ATOM 0 HG23 ILE A 420 -6.621 0.350 -1.660 1.00 11.51 H new ATOM 0 HD11 ILE A 420 -10.268 -0.184 -1.203 1.00 62.43 H new ATOM 0 HD12 ILE A 420 -8.509 -0.200 -0.928 1.00 62.43 H new ATOM 0 HD13 ILE A 420 -9.397 1.343 -0.923 1.00 62.43 H new ATOM 91 N ARG A 421 -6.837 4.290 -4.067 1.00 42.21 N ATOM 92 CA ARG A 421 -5.767 5.096 -4.641 1.00 4.43 C ATOM 93 C ARG A 421 -5.028 5.872 -3.554 1.00 21.24 C ATOM 94 O ARG A 421 -3.850 6.196 -3.700 1.00 71.43 O ATOM 95 CB ARG A 421 -6.332 6.067 -5.679 1.00 20.00 C ATOM 96 CG ARG A 421 -7.082 7.240 -5.071 1.00 43.54 C ATOM 97 CD ARG A 421 -7.903 7.979 -6.117 1.00 55.33 C ATOM 98 NE ARG A 421 -7.179 9.115 -6.680 1.00 73.22 N ATOM 99 CZ ARG A 421 -7.660 9.887 -7.648 1.00 60.01 C ATOM 100 NH1 ARG A 421 -8.860 9.647 -8.157 1.00 55.45 N ATOM 101 NH2 ARG A 421 -6.941 10.903 -8.108 1.00 52.11 N ATOM 0 H ARG A 421 -7.756 4.455 -4.477 1.00 42.21 H new ATOM 0 HA ARG A 421 -5.061 4.423 -5.128 1.00 4.43 H new ATOM 0 HB2 ARG A 421 -5.514 6.448 -6.291 1.00 20.00 H new ATOM 0 HB3 ARG A 421 -7.003 5.524 -6.345 1.00 20.00 H new ATOM 0 HG2 ARG A 421 -7.739 6.882 -4.278 1.00 43.54 H new ATOM 0 HG3 ARG A 421 -6.373 7.928 -4.611 1.00 43.54 H new ATOM 0 HD2 ARG A 421 -8.175 7.290 -6.917 1.00 55.33 H new ATOM 0 HD3 ARG A 421 -8.832 8.329 -5.667 1.00 55.33 H new ATOM 0 HE ARG A 421 -6.253 9.328 -6.310 1.00 73.22 H new ATOM 0 HH11 ARG A 421 -9.417 8.868 -7.805 1.00 55.45 H new ATOM 0 HH12 ARG A 421 -9.227 10.241 -8.900 1.00 55.45 H new ATOM 0 HH21 ARG A 421 -6.018 11.092 -7.718 1.00 52.11 H new ATOM 0 HH22 ARG A 421 -7.312 11.495 -8.851 1.00 52.11 H new ATOM 115 N ALA A 422 -5.729 6.166 -2.464 1.00 2.42 N ATOM 116 CA ALA A 422 -5.139 6.901 -1.352 1.00 11.14 C ATOM 117 C ALA A 422 -4.455 5.956 -0.370 1.00 25.30 C ATOM 118 O ALA A 422 -3.545 6.354 0.359 1.00 63.33 O ATOM 119 CB ALA A 422 -6.203 7.724 -0.640 1.00 2.01 C ATOM 0 H ALA A 422 -6.706 5.907 -2.327 1.00 2.42 H new ATOM 0 HA ALA A 422 -4.382 7.574 -1.755 1.00 11.14 H new ATOM 0 HB1 ALA A 422 -5.749 8.268 0.188 1.00 2.01 H new ATOM 0 HB2 ALA A 422 -6.644 8.433 -1.341 1.00 2.01 H new ATOM 0 HB3 ALA A 422 -6.979 7.062 -0.257 1.00 2.01 H new ATOM 125 N LEU A 423 -4.897 4.704 -0.355 1.00 55.03 N ATOM 126 CA LEU A 423 -4.327 3.701 0.538 1.00 3.50 C ATOM 127 C LEU A 423 -2.851 3.473 0.229 1.00 52.40 C ATOM 128 O LEU A 423 -2.011 3.467 1.129 1.00 62.24 O ATOM 129 CB LEU A 423 -5.096 2.385 0.415 1.00 15.05 C ATOM 130 CG LEU A 423 -5.983 2.012 1.604 1.00 50.22 C ATOM 131 CD1 LEU A 423 -5.137 1.538 2.775 1.00 24.03 C ATOM 132 CD2 LEU A 423 -6.849 3.194 2.014 1.00 50.22 C ATOM 0 H LEU A 423 -5.649 4.358 -0.951 1.00 55.03 H new ATOM 0 HA LEU A 423 -4.412 4.069 1.560 1.00 3.50 H new ATOM 0 HB2 LEU A 423 -5.720 2.434 -0.477 1.00 15.05 H new ATOM 0 HB3 LEU A 423 -4.377 1.581 0.257 1.00 15.05 H new ATOM 0 HG LEU A 423 -6.637 1.194 1.301 1.00 50.22 H new ATOM 0 HD11 LEU A 423 -5.786 1.277 3.611 1.00 24.03 H new ATOM 0 HD12 LEU A 423 -4.561 0.662 2.477 1.00 24.03 H new ATOM 0 HD13 LEU A 423 -4.457 2.334 3.078 1.00 24.03 H new ATOM 0 HD21 LEU A 423 -7.474 2.911 2.861 1.00 50.22 H new ATOM 0 HD22 LEU A 423 -6.211 4.031 2.297 1.00 50.22 H new ATOM 0 HD23 LEU A 423 -7.483 3.488 1.178 1.00 50.22 H new ATOM 144 N VAL A 424 -2.542 3.286 -1.051 1.00 23.52 N ATOM 145 CA VAL A 424 -1.167 3.060 -1.480 1.00 63.40 C ATOM 146 C VAL A 424 -0.313 4.305 -1.264 1.00 41.02 C ATOM 147 O VAL A 424 0.916 4.244 -1.313 1.00 2.23 O ATOM 148 CB VAL A 424 -1.101 2.657 -2.965 1.00 1.33 C ATOM 149 CG1 VAL A 424 0.325 2.307 -3.361 1.00 60.14 C ATOM 150 CG2 VAL A 424 -2.041 1.493 -3.242 1.00 61.14 C ATOM 0 H VAL A 424 -3.225 3.287 -1.808 1.00 23.52 H new ATOM 0 HA VAL A 424 -0.776 2.244 -0.872 1.00 63.40 H new ATOM 0 HB VAL A 424 -1.422 3.506 -3.569 1.00 1.33 H new ATOM 0 HG11 VAL A 424 0.351 2.025 -4.414 1.00 60.14 H new ATOM 0 HG12 VAL A 424 0.970 3.171 -3.201 1.00 60.14 H new ATOM 0 HG13 VAL A 424 0.677 1.474 -2.753 1.00 60.14 H new ATOM 0 HG21 VAL A 424 -1.982 1.221 -4.296 1.00 61.14 H new ATOM 0 HG22 VAL A 424 -1.752 0.639 -2.630 1.00 61.14 H new ATOM 0 HG23 VAL A 424 -3.063 1.785 -2.999 1.00 61.14 H new ATOM 160 N LYS A 425 -0.972 5.434 -1.027 1.00 31.34 N ATOM 161 CA LYS A 425 -0.274 6.694 -0.802 1.00 50.42 C ATOM 162 C LYS A 425 0.244 6.781 0.630 1.00 44.32 C ATOM 163 O LYS A 425 1.189 7.518 0.916 1.00 0.41 O ATOM 164 CB LYS A 425 -1.205 7.874 -1.091 1.00 21.42 C ATOM 165 CG LYS A 425 -0.723 8.764 -2.224 1.00 41.23 C ATOM 166 CD LYS A 425 -0.869 8.078 -3.573 1.00 13.43 C ATOM 167 CE LYS A 425 -0.973 9.089 -4.704 1.00 40.42 C ATOM 168 NZ LYS A 425 -2.389 9.448 -4.999 1.00 32.15 N ATOM 0 H LYS A 425 -1.989 5.502 -0.986 1.00 31.34 H new ATOM 0 HA LYS A 425 0.578 6.735 -1.481 1.00 50.42 H new ATOM 0 HB2 LYS A 425 -2.196 7.493 -1.336 1.00 21.42 H new ATOM 0 HB3 LYS A 425 -1.309 8.474 -0.187 1.00 21.42 H new ATOM 0 HG2 LYS A 425 -1.291 9.694 -2.224 1.00 41.23 H new ATOM 0 HG3 LYS A 425 0.322 9.029 -2.061 1.00 41.23 H new ATOM 0 HD2 LYS A 425 -0.013 7.425 -3.745 1.00 13.43 H new ATOM 0 HD3 LYS A 425 -1.757 7.445 -3.566 1.00 13.43 H new ATOM 0 HE2 LYS A 425 -0.418 9.989 -4.439 1.00 40.42 H new ATOM 0 HE3 LYS A 425 -0.508 8.680 -5.601 1.00 40.42 H new ATOM 0 HZ1 LYS A 425 -2.417 10.139 -5.776 1.00 32.15 H new ATOM 0 HZ2 LYS A 425 -2.913 8.594 -5.277 1.00 32.15 H new ATOM 0 HZ3 LYS A 425 -2.826 9.862 -4.151 1.00 32.15 H new ATOM 182 N LYS A 426 -0.379 6.023 1.527 1.00 3.14 N ATOM 183 CA LYS A 426 0.021 6.012 2.929 1.00 2.44 C ATOM 184 C LYS A 426 1.266 5.154 3.134 1.00 3.20 C ATOM 185 O LYS A 426 2.160 5.513 3.902 1.00 70.23 O ATOM 186 CB LYS A 426 -1.122 5.488 3.803 1.00 65.22 C ATOM 187 CG LYS A 426 -1.508 6.431 4.928 1.00 10.14 C ATOM 188 CD LYS A 426 -0.841 6.040 6.237 1.00 65.51 C ATOM 189 CE LYS A 426 0.430 6.841 6.475 1.00 33.32 C ATOM 190 NZ LYS A 426 0.360 7.631 7.736 1.00 53.23 N ATOM 0 H LYS A 426 -1.163 5.408 1.307 1.00 3.14 H new ATOM 0 HA LYS A 426 0.255 7.036 3.222 1.00 2.44 H new ATOM 0 HB2 LYS A 426 -1.995 5.308 3.175 1.00 65.22 H new ATOM 0 HB3 LYS A 426 -0.832 4.527 4.229 1.00 65.22 H new ATOM 0 HG2 LYS A 426 -1.224 7.450 4.664 1.00 10.14 H new ATOM 0 HG3 LYS A 426 -2.591 6.425 5.054 1.00 10.14 H new ATOM 0 HD2 LYS A 426 -1.534 6.202 7.062 1.00 65.51 H new ATOM 0 HD3 LYS A 426 -0.605 4.976 6.223 1.00 65.51 H new ATOM 0 HE2 LYS A 426 1.283 6.164 6.517 1.00 33.32 H new ATOM 0 HE3 LYS A 426 0.598 7.514 5.634 1.00 33.32 H new ATOM 0 HZ1 LYS A 426 1.245 8.163 7.862 1.00 53.23 H new ATOM 0 HZ2 LYS A 426 -0.439 8.295 7.686 1.00 53.23 H new ATOM 0 HZ3 LYS A 426 0.225 6.987 8.542 1.00 53.23 H new ATOM 204 N LEU A 427 1.318 4.022 2.442 1.00 54.11 N ATOM 205 CA LEU A 427 2.454 3.113 2.546 1.00 21.05 C ATOM 206 C LEU A 427 3.725 3.767 2.015 1.00 44.00 C ATOM 207 O LEU A 427 4.833 3.410 2.416 1.00 13.01 O ATOM 208 CB LEU A 427 2.172 1.821 1.776 1.00 42.01 C ATOM 209 CG LEU A 427 1.141 0.880 2.399 1.00 2.52 C ATOM 210 CD1 LEU A 427 1.457 0.639 3.867 1.00 42.52 C ATOM 211 CD2 LEU A 427 -0.263 1.445 2.239 1.00 72.22 C ATOM 0 H LEU A 427 0.587 3.711 1.803 1.00 54.11 H new ATOM 0 HA LEU A 427 2.602 2.876 3.600 1.00 21.05 H new ATOM 0 HB2 LEU A 427 1.834 2.085 0.774 1.00 42.01 H new ATOM 0 HB3 LEU A 427 3.110 1.277 1.663 1.00 42.01 H new ATOM 0 HG LEU A 427 1.187 -0.076 1.877 1.00 2.52 H new ATOM 0 HD11 LEU A 427 0.713 -0.033 4.294 1.00 42.52 H new ATOM 0 HD12 LEU A 427 2.446 0.190 3.957 1.00 42.52 H new ATOM 0 HD13 LEU A 427 1.439 1.588 4.403 1.00 42.52 H new ATOM 0 HD21 LEU A 427 -0.984 0.762 2.688 1.00 72.22 H new ATOM 0 HD22 LEU A 427 -0.324 2.414 2.734 1.00 72.22 H new ATOM 0 HD23 LEU A 427 -0.488 1.565 1.179 1.00 72.22 H new ATOM 223 N ILE A 428 3.558 4.729 1.114 1.00 2.22 N ATOM 224 CA ILE A 428 4.692 5.437 0.531 1.00 13.53 C ATOM 225 C ILE A 428 4.818 6.843 1.108 1.00 32.13 C ATOM 226 O ILE A 428 5.836 7.509 0.927 1.00 71.13 O ATOM 227 CB ILE A 428 4.568 5.531 -1.001 1.00 20.33 C ATOM 228 CG1 ILE A 428 4.175 4.174 -1.588 1.00 50.42 C ATOM 229 CG2 ILE A 428 5.876 6.017 -1.608 1.00 22.11 C ATOM 230 CD1 ILE A 428 5.147 3.066 -1.253 1.00 34.41 C ATOM 0 H ILE A 428 2.648 5.037 0.771 1.00 2.22 H new ATOM 0 HA ILE A 428 5.585 4.864 0.781 1.00 13.53 H new ATOM 0 HB ILE A 428 3.786 6.250 -1.244 1.00 20.33 H new ATOM 0 HG12 ILE A 428 3.186 3.901 -1.221 1.00 50.42 H new ATOM 0 HG13 ILE A 428 4.099 4.264 -2.672 1.00 50.42 H new ATOM 0 HG21 ILE A 428 5.774 6.079 -2.691 1.00 22.11 H new ATOM 0 HG22 ILE A 428 6.118 7.002 -1.210 1.00 22.11 H new ATOM 0 HG23 ILE A 428 6.675 5.319 -1.358 1.00 22.11 H new ATOM 0 HD11 ILE A 428 4.805 2.134 -1.702 1.00 34.41 H new ATOM 0 HD12 ILE A 428 6.133 3.316 -1.644 1.00 34.41 H new ATOM 0 HD13 ILE A 428 5.205 2.948 -0.171 1.00 34.41 H new ATOM 242 N ALA A 429 3.778 7.286 1.806 1.00 73.04 N ATOM 243 CA ALA A 429 3.774 8.611 2.413 1.00 10.52 C ATOM 244 C ALA A 429 4.956 8.784 3.361 1.00 40.21 C ATOM 245 O ALA A 429 5.380 9.905 3.640 1.00 70.34 O ATOM 246 CB ALA A 429 2.464 8.850 3.150 1.00 33.03 C ATOM 0 H ALA A 429 2.927 6.747 1.965 1.00 73.04 H new ATOM 0 HA ALA A 429 3.870 9.349 1.617 1.00 10.52 H new ATOM 0 HB1 ALA A 429 2.475 9.843 3.598 1.00 33.03 H new ATOM 0 HB2 ALA A 429 1.633 8.778 2.448 1.00 33.03 H new ATOM 0 HB3 ALA A 429 2.344 8.100 3.932 1.00 33.03 H new ATOM 252 N ALA A 430 5.481 7.667 3.854 1.00 22.30 N ATOM 253 CA ALA A 430 6.615 7.696 4.769 1.00 34.35 C ATOM 254 C ALA A 430 7.709 6.732 4.320 1.00 40.33 C ATOM 255 O ALA A 430 8.112 5.844 5.070 1.00 41.12 O ATOM 256 CB ALA A 430 6.161 7.360 6.182 1.00 25.25 C ATOM 0 H ALA A 430 5.139 6.731 3.635 1.00 22.30 H new ATOM 0 HA ALA A 430 7.030 8.704 4.762 1.00 34.35 H new ATOM 0 HB1 ALA A 430 7.018 7.385 6.855 1.00 25.25 H new ATOM 0 HB2 ALA A 430 5.421 8.090 6.510 1.00 25.25 H new ATOM 0 HB3 ALA A 430 5.719 6.364 6.195 1.00 25.25 H new ATOM 262 N GLU A 431 8.182 6.914 3.091 1.00 65.42 N ATOM 263 CA GLU A 431 9.228 6.059 2.542 1.00 23.41 C ATOM 264 C GLU A 431 9.987 6.774 1.427 1.00 10.10 C ATOM 265 O GLU A 431 9.464 7.692 0.797 1.00 72.44 O ATOM 266 CB GLU A 431 8.626 4.757 2.010 1.00 14.04 C ATOM 267 CG GLU A 431 8.701 4.625 0.499 1.00 53.42 C ATOM 268 CD GLU A 431 8.061 3.346 -0.008 1.00 33.03 C ATOM 269 OE1 GLU A 431 7.264 2.745 0.743 1.00 70.23 O ATOM 270 OE2 GLU A 431 8.357 2.947 -1.152 1.00 32.50 O ATOM 0 H GLU A 431 7.858 7.645 2.457 1.00 65.42 H new ATOM 0 HA GLU A 431 9.929 5.826 3.344 1.00 23.41 H new ATOM 0 HB2 GLU A 431 9.145 3.914 2.466 1.00 14.04 H new ATOM 0 HB3 GLU A 431 7.583 4.695 2.320 1.00 14.04 H new ATOM 0 HG2 GLU A 431 8.208 5.481 0.038 1.00 53.42 H new ATOM 0 HG3 GLU A 431 9.745 4.653 0.187 1.00 53.42 H new ATOM 277 N ASN A 432 11.223 6.347 1.192 1.00 15.04 N ATOM 278 CA ASN A 432 12.055 6.946 0.155 1.00 50.55 C ATOM 279 C ASN A 432 12.243 5.984 -1.014 1.00 62.12 C ATOM 280 O ASN A 432 13.230 5.253 -1.097 1.00 3.21 O ATOM 281 CB ASN A 432 13.416 7.342 0.730 1.00 74.51 C ATOM 282 CG ASN A 432 14.199 8.242 -0.206 1.00 41.13 C ATOM 283 OD1 ASN A 432 13.657 9.195 -0.767 1.00 72.24 O ATOM 284 ND2 ASN A 432 15.482 7.944 -0.380 1.00 54.10 N ATOM 0 H ASN A 432 11.671 5.588 1.706 1.00 15.04 H new ATOM 0 HA ASN A 432 11.550 7.840 -0.211 1.00 50.55 H new ATOM 0 HB2 ASN A 432 13.271 7.852 1.683 1.00 74.51 H new ATOM 0 HB3 ASN A 432 13.996 6.442 0.935 1.00 74.51 H new ATOM 0 HD21 ASN A 432 16.059 8.514 -0.998 1.00 54.10 H new ATOM 0 HD22 ASN A 432 15.890 7.145 0.105 1.00 54.10 H new ATOM 291 N PRO A 433 11.274 5.984 -1.942 1.00 74.51 N ATOM 292 CA PRO A 433 11.311 5.118 -3.124 1.00 51.24 C ATOM 293 C PRO A 433 12.394 5.534 -4.115 1.00 13.31 C ATOM 294 O PRO A 433 12.561 4.913 -5.163 1.00 73.01 O ATOM 295 CB PRO A 433 9.923 5.302 -3.742 1.00 42.31 C ATOM 296 CG PRO A 433 9.477 6.646 -3.278 1.00 64.34 C ATOM 297 CD PRO A 433 10.068 6.828 -1.908 1.00 65.41 C ATOM 0 HA PRO A 433 11.544 4.085 -2.865 1.00 51.24 H new ATOM 0 HB2 PRO A 433 9.964 5.252 -4.830 1.00 42.31 H new ATOM 0 HB3 PRO A 433 9.237 4.522 -3.413 1.00 42.31 H new ATOM 0 HG2 PRO A 433 9.819 7.427 -3.957 1.00 64.34 H new ATOM 0 HG3 PRO A 433 8.389 6.706 -3.245 1.00 64.34 H new ATOM 0 HD2 PRO A 433 10.313 7.872 -1.712 1.00 65.41 H new ATOM 0 HD3 PRO A 433 9.377 6.511 -1.127 1.00 65.41 H new ATOM 305 N ALA A 434 13.127 6.589 -3.773 1.00 54.23 N ATOM 306 CA ALA A 434 14.195 7.086 -4.632 1.00 4.43 C ATOM 307 C ALA A 434 15.105 5.951 -5.089 1.00 23.34 C ATOM 308 O ALA A 434 15.199 5.658 -6.281 1.00 4.21 O ATOM 309 CB ALA A 434 15.002 8.153 -3.905 1.00 52.10 C ATOM 0 H ALA A 434 13.001 7.115 -2.908 1.00 54.23 H new ATOM 0 HA ALA A 434 13.740 7.530 -5.517 1.00 4.43 H new ATOM 0 HB1 ALA A 434 15.796 8.516 -4.557 1.00 52.10 H new ATOM 0 HB2 ALA A 434 14.348 8.982 -3.634 1.00 52.10 H new ATOM 0 HB3 ALA A 434 15.440 7.726 -3.003 1.00 52.10 H new ATOM 315 N LYS A 435 15.774 5.315 -4.134 1.00 32.43 N ATOM 316 CA LYS A 435 16.678 4.211 -4.437 1.00 65.20 C ATOM 317 C LYS A 435 15.910 2.900 -4.563 1.00 75.04 C ATOM 318 O LYS A 435 15.927 2.239 -5.603 1.00 43.02 O ATOM 319 CB LYS A 435 17.747 4.086 -3.349 1.00 71.30 C ATOM 320 CG LYS A 435 17.730 5.226 -2.345 1.00 51.25 C ATOM 321 CD LYS A 435 18.962 5.205 -1.457 1.00 65.32 C ATOM 322 CE LYS A 435 18.588 5.201 0.017 1.00 52.41 C ATOM 323 NZ LYS A 435 19.750 5.533 0.886 1.00 43.42 N ATOM 0 H LYS A 435 15.708 5.545 -3.142 1.00 32.43 H new ATOM 0 HA LYS A 435 17.163 4.422 -5.390 1.00 65.20 H new ATOM 0 HB2 LYS A 435 17.605 3.144 -2.819 1.00 71.30 H new ATOM 0 HB3 LYS A 435 18.729 4.042 -3.820 1.00 71.30 H new ATOM 0 HG2 LYS A 435 17.678 6.177 -2.874 1.00 51.25 H new ATOM 0 HG3 LYS A 435 16.834 5.155 -1.728 1.00 51.25 H new ATOM 0 HD2 LYS A 435 19.560 4.322 -1.684 1.00 65.32 H new ATOM 0 HD3 LYS A 435 19.582 6.075 -1.673 1.00 65.32 H new ATOM 0 HE2 LYS A 435 17.788 5.921 0.190 1.00 52.41 H new ATOM 0 HE3 LYS A 435 18.199 4.220 0.290 1.00 52.41 H new ATOM 0 HZ1 LYS A 435 19.453 5.520 1.883 1.00 43.42 H new ATOM 0 HZ2 LYS A 435 20.504 4.832 0.740 1.00 43.42 H new ATOM 0 HZ3 LYS A 435 20.106 6.480 0.643 1.00 43.42 H new ATOM 337 N PRO A 436 15.218 2.511 -3.482 1.00 71.41 N ATOM 338 CA PRO A 436 14.430 1.276 -3.448 1.00 52.43 C ATOM 339 C PRO A 436 13.190 1.355 -4.334 1.00 23.14 C ATOM 340 O PRO A 436 12.905 2.395 -4.928 1.00 12.12 O ATOM 341 CB PRO A 436 14.029 1.151 -1.976 1.00 41.14 C ATOM 342 CG PRO A 436 14.055 2.548 -1.456 1.00 75.15 C ATOM 343 CD PRO A 436 15.152 3.248 -2.209 1.00 34.23 C ATOM 0 HA PRO A 436 14.994 0.422 -3.824 1.00 52.43 H new ATOM 0 HB2 PRO A 436 13.038 0.708 -1.872 1.00 41.14 H new ATOM 0 HB3 PRO A 436 14.723 0.512 -1.430 1.00 41.14 H new ATOM 0 HG2 PRO A 436 13.096 3.042 -1.614 1.00 75.15 H new ATOM 0 HG3 PRO A 436 14.247 2.562 -0.383 1.00 75.15 H new ATOM 0 HD2 PRO A 436 14.922 4.302 -2.367 1.00 34.23 H new ATOM 0 HD3 PRO A 436 16.099 3.206 -1.671 1.00 34.23 H new ATOM 351 N LEU A 437 12.456 0.250 -4.416 1.00 65.12 N ATOM 352 CA LEU A 437 11.246 0.195 -5.229 1.00 4.13 C ATOM 353 C LEU A 437 10.430 -1.052 -4.905 1.00 53.41 C ATOM 354 O LEU A 437 9.694 -1.561 -5.750 1.00 61.51 O ATOM 355 CB LEU A 437 11.605 0.212 -6.715 1.00 25.02 C ATOM 356 CG LEU A 437 12.639 -0.819 -7.168 1.00 30.04 C ATOM 357 CD1 LEU A 437 11.974 -2.160 -7.437 1.00 41.30 C ATOM 358 CD2 LEU A 437 13.375 -0.329 -8.406 1.00 64.44 C ATOM 0 H LEU A 437 12.678 -0.619 -3.930 1.00 65.12 H new ATOM 0 HA LEU A 437 10.642 1.073 -4.998 1.00 4.13 H new ATOM 0 HB2 LEU A 437 10.692 0.058 -7.290 1.00 25.02 H new ATOM 0 HB3 LEU A 437 11.977 1.205 -6.967 1.00 25.02 H new ATOM 0 HG LEU A 437 13.366 -0.951 -6.367 1.00 30.04 H new ATOM 0 HD11 LEU A 437 12.726 -2.881 -7.758 1.00 41.30 H new ATOM 0 HD12 LEU A 437 11.494 -2.518 -6.526 1.00 41.30 H new ATOM 0 HD13 LEU A 437 11.225 -2.044 -8.220 1.00 41.30 H new ATOM 0 HD21 LEU A 437 14.107 -1.076 -8.714 1.00 64.44 H new ATOM 0 HD22 LEU A 437 12.661 -0.167 -9.213 1.00 64.44 H new ATOM 0 HD23 LEU A 437 13.885 0.607 -8.179 1.00 64.44 H new ATOM 370 N SER A 438 10.564 -1.538 -3.676 1.00 2.34 N ATOM 371 CA SER A 438 9.840 -2.727 -3.240 1.00 71.12 C ATOM 372 C SER A 438 8.949 -2.412 -2.043 1.00 14.11 C ATOM 373 O SER A 438 9.074 -1.356 -1.422 1.00 10.43 O ATOM 374 CB SER A 438 10.821 -3.845 -2.881 1.00 43.10 C ATOM 375 OG SER A 438 11.758 -4.056 -3.923 1.00 41.31 O ATOM 0 H SER A 438 11.167 -1.127 -2.964 1.00 2.34 H new ATOM 0 HA SER A 438 9.208 -3.059 -4.063 1.00 71.12 H new ATOM 0 HB2 SER A 438 11.347 -3.590 -1.961 1.00 43.10 H new ATOM 0 HB3 SER A 438 10.272 -4.767 -2.689 1.00 43.10 H new ATOM 0 HG SER A 438 12.374 -4.774 -3.668 1.00 41.31 H new ATOM 381 N ASP A 439 8.049 -3.336 -1.724 1.00 72.13 N ATOM 382 CA ASP A 439 7.137 -3.159 -0.600 1.00 54.52 C ATOM 383 C ASP A 439 7.690 -3.820 0.659 1.00 55.34 C ATOM 384 O ASP A 439 7.057 -4.703 1.237 1.00 74.50 O ATOM 385 CB ASP A 439 5.762 -3.742 -0.935 1.00 3.10 C ATOM 386 CG ASP A 439 5.085 -3.009 -2.077 1.00 33.24 C ATOM 387 OD1 ASP A 439 5.210 -1.768 -2.142 1.00 73.42 O ATOM 388 OD2 ASP A 439 4.429 -3.677 -2.904 1.00 44.01 O ATOM 0 H ASP A 439 7.932 -4.215 -2.228 1.00 72.13 H new ATOM 0 HA ASP A 439 7.035 -2.090 -0.412 1.00 54.52 H new ATOM 0 HB2 ASP A 439 5.871 -4.795 -1.196 1.00 3.10 H new ATOM 0 HB3 ASP A 439 5.126 -3.697 -0.051 1.00 3.10 H new ATOM 393 N SER A 440 8.874 -3.385 1.077 1.00 35.31 N ATOM 394 CA SER A 440 9.516 -3.938 2.264 1.00 74.22 C ATOM 395 C SER A 440 9.349 -3.002 3.456 1.00 31.44 C ATOM 396 O SER A 440 8.873 -3.406 4.518 1.00 72.35 O ATOM 397 CB SER A 440 11.002 -4.186 1.998 1.00 22.21 C ATOM 398 OG SER A 440 11.184 -5.092 0.924 1.00 51.02 O ATOM 0 H SER A 440 9.408 -2.651 0.612 1.00 35.31 H new ATOM 0 HA SER A 440 9.034 -4.887 2.499 1.00 74.22 H new ATOM 0 HB2 SER A 440 11.496 -3.242 1.769 1.00 22.21 H new ATOM 0 HB3 SER A 440 11.474 -4.583 2.897 1.00 22.21 H new ATOM 0 HG SER A 440 12.142 -5.232 0.773 1.00 51.02 H new ATOM 404 N LYS A 441 9.747 -1.747 3.275 1.00 41.12 N ATOM 405 CA LYS A 441 9.642 -0.750 4.334 1.00 42.14 C ATOM 406 C LYS A 441 8.195 -0.592 4.791 1.00 40.21 C ATOM 407 O LYS A 441 7.886 -0.749 5.973 1.00 43.01 O ATOM 408 CB LYS A 441 10.185 0.596 3.850 1.00 30.23 C ATOM 409 CG LYS A 441 11.350 1.114 4.677 1.00 62.52 C ATOM 410 CD LYS A 441 10.887 2.086 5.748 1.00 52.54 C ATOM 411 CE LYS A 441 11.192 1.564 7.144 1.00 14.11 C ATOM 412 NZ LYS A 441 11.189 2.655 8.157 1.00 10.24 N ATOM 0 H LYS A 441 10.146 -1.396 2.404 1.00 41.12 H new ATOM 0 HA LYS A 441 10.237 -1.092 5.181 1.00 42.14 H new ATOM 0 HB2 LYS A 441 10.502 0.498 2.812 1.00 30.23 H new ATOM 0 HB3 LYS A 441 9.381 1.331 3.870 1.00 30.23 H new ATOM 0 HG2 LYS A 441 11.866 0.276 5.144 1.00 62.52 H new ATOM 0 HG3 LYS A 441 12.070 1.607 4.024 1.00 62.52 H new ATOM 0 HD2 LYS A 441 11.377 3.049 5.603 1.00 52.54 H new ATOM 0 HD3 LYS A 441 9.815 2.256 5.648 1.00 52.54 H new ATOM 0 HE2 LYS A 441 10.454 0.811 7.419 1.00 14.11 H new ATOM 0 HE3 LYS A 441 12.165 1.072 7.143 1.00 14.11 H new ATOM 0 HZ1 LYS A 441 11.401 2.259 9.095 1.00 10.24 H new ATOM 0 HZ2 LYS A 441 11.911 3.361 7.909 1.00 10.24 H new ATOM 0 HZ3 LYS A 441 10.253 3.108 8.176 1.00 10.24 H new ATOM 426 N LEU A 442 7.312 -0.281 3.847 1.00 13.25 N ATOM 427 CA LEU A 442 5.897 -0.104 4.154 1.00 63.54 C ATOM 428 C LEU A 442 5.345 -1.313 4.901 1.00 73.20 C ATOM 429 O LEU A 442 4.575 -1.172 5.852 1.00 71.41 O ATOM 430 CB LEU A 442 5.102 0.122 2.867 1.00 44.30 C ATOM 431 CG LEU A 442 5.493 -0.751 1.674 1.00 12.12 C ATOM 432 CD1 LEU A 442 4.292 -1.537 1.171 1.00 24.35 C ATOM 433 CD2 LEU A 442 6.079 0.102 0.558 1.00 1.02 C ATOM 0 H LEU A 442 7.551 -0.147 2.865 1.00 13.25 H new ATOM 0 HA LEU A 442 5.796 0.771 4.796 1.00 63.54 H new ATOM 0 HB2 LEU A 442 4.046 -0.043 3.082 1.00 44.30 H new ATOM 0 HB3 LEU A 442 5.208 1.167 2.577 1.00 44.30 H new ATOM 0 HG LEU A 442 6.254 -1.459 2.001 1.00 12.12 H new ATOM 0 HD11 LEU A 442 4.590 -2.152 0.322 1.00 24.35 H new ATOM 0 HD12 LEU A 442 3.916 -2.177 1.969 1.00 24.35 H new ATOM 0 HD13 LEU A 442 3.509 -0.846 0.861 1.00 24.35 H new ATOM 0 HD21 LEU A 442 6.352 -0.536 -0.283 1.00 1.02 H new ATOM 0 HD22 LEU A 442 5.340 0.834 0.233 1.00 1.02 H new ATOM 0 HD23 LEU A 442 6.966 0.620 0.923 1.00 1.02 H new ATOM 445 N THR A 443 5.745 -2.504 4.465 1.00 32.34 N ATOM 446 CA THR A 443 5.292 -3.739 5.093 1.00 55.24 C ATOM 447 C THR A 443 5.975 -3.956 6.438 1.00 23.22 C ATOM 448 O THR A 443 5.477 -4.696 7.286 1.00 51.30 O ATOM 449 CB THR A 443 5.561 -4.959 4.192 1.00 55.32 C ATOM 450 OG1 THR A 443 6.942 -4.996 3.816 1.00 65.23 O ATOM 451 CG2 THR A 443 4.691 -4.913 2.944 1.00 23.33 C ATOM 0 H THR A 443 6.382 -2.639 3.680 1.00 32.34 H new ATOM 0 HA THR A 443 4.218 -3.639 5.246 1.00 55.24 H new ATOM 0 HB THR A 443 5.314 -5.859 4.755 1.00 55.32 H new ATOM 0 HG1 THR A 443 7.442 -4.339 4.344 1.00 65.23 H new ATOM 0 HG21 THR A 443 4.899 -5.785 2.323 1.00 23.33 H new ATOM 0 HG22 THR A 443 3.640 -4.915 3.233 1.00 23.33 H new ATOM 0 HG23 THR A 443 4.910 -4.006 2.381 1.00 23.33 H new ATOM 459 N SER A 444 7.118 -3.304 6.628 1.00 34.31 N ATOM 460 CA SER A 444 7.872 -3.428 7.870 1.00 50.41 C ATOM 461 C SER A 444 7.139 -2.743 9.020 1.00 14.41 C ATOM 462 O SER A 444 6.883 -3.354 10.059 1.00 23.31 O ATOM 463 CB SER A 444 9.267 -2.823 7.707 1.00 3.03 C ATOM 464 OG SER A 444 10.203 -3.462 8.558 1.00 71.55 O ATOM 0 H SER A 444 7.542 -2.685 5.937 1.00 34.31 H new ATOM 0 HA SER A 444 7.969 -4.488 8.104 1.00 50.41 H new ATOM 0 HB2 SER A 444 9.589 -2.918 6.670 1.00 3.03 H new ATOM 0 HB3 SER A 444 9.233 -1.757 7.933 1.00 3.03 H new ATOM 0 HG SER A 444 11.087 -3.058 8.434 1.00 71.55 H new ATOM 470 N LEU A 445 6.804 -1.472 8.826 1.00 14.42 N ATOM 471 CA LEU A 445 6.101 -0.703 9.847 1.00 13.14 C ATOM 472 C LEU A 445 4.773 -1.363 10.207 1.00 4.11 C ATOM 473 O LEU A 445 4.310 -1.269 11.345 1.00 42.32 O ATOM 474 CB LEU A 445 5.858 0.726 9.359 1.00 63.03 C ATOM 475 CG LEU A 445 6.757 1.805 9.964 1.00 33.13 C ATOM 476 CD1 LEU A 445 6.916 2.970 9.000 1.00 10.43 C ATOM 477 CD2 LEU A 445 6.195 2.282 11.294 1.00 4.54 C ATOM 0 H LEU A 445 7.008 -0.953 7.972 1.00 14.42 H new ATOM 0 HA LEU A 445 6.725 -0.674 10.740 1.00 13.14 H new ATOM 0 HB2 LEU A 445 5.981 0.744 8.276 1.00 63.03 H new ATOM 0 HB3 LEU A 445 4.820 0.988 9.567 1.00 63.03 H new ATOM 0 HG LEU A 445 7.742 1.373 10.143 1.00 33.13 H new ATOM 0 HD11 LEU A 445 7.559 3.728 9.448 1.00 10.43 H new ATOM 0 HD12 LEU A 445 7.365 2.616 8.072 1.00 10.43 H new ATOM 0 HD13 LEU A 445 5.938 3.403 8.788 1.00 10.43 H new ATOM 0 HD21 LEU A 445 6.847 3.050 11.710 1.00 4.54 H new ATOM 0 HD22 LEU A 445 5.199 2.697 11.140 1.00 4.54 H new ATOM 0 HD23 LEU A 445 6.136 1.442 11.986 1.00 4.54 H new ATOM 489 N LEU A 446 4.166 -2.030 9.232 1.00 32.24 N ATOM 490 CA LEU A 446 2.893 -2.708 9.447 1.00 2.45 C ATOM 491 C LEU A 446 3.103 -4.064 10.114 1.00 43.13 C ATOM 492 O LEU A 446 2.337 -4.460 10.993 1.00 62.55 O ATOM 493 CB LEU A 446 2.158 -2.889 8.117 1.00 23.54 C ATOM 494 CG LEU A 446 1.051 -1.877 7.819 1.00 25.30 C ATOM 495 CD1 LEU A 446 0.409 -2.169 6.472 1.00 31.44 C ATOM 496 CD2 LEU A 446 0.006 -1.890 8.925 1.00 41.35 C ATOM 0 H LEU A 446 4.535 -2.116 8.285 1.00 32.24 H new ATOM 0 HA LEU A 446 2.287 -2.089 10.109 1.00 2.45 H new ATOM 0 HB2 LEU A 446 2.890 -2.844 7.311 1.00 23.54 H new ATOM 0 HB3 LEU A 446 1.724 -3.889 8.098 1.00 23.54 H new ATOM 0 HG LEU A 446 1.495 -0.882 7.778 1.00 25.30 H new ATOM 0 HD11 LEU A 446 -0.376 -1.439 6.277 1.00 31.44 H new ATOM 0 HD12 LEU A 446 1.164 -2.108 5.688 1.00 31.44 H new ATOM 0 HD13 LEU A 446 -0.022 -3.170 6.484 1.00 31.44 H new ATOM 0 HD21 LEU A 446 -0.774 -1.164 8.697 1.00 41.35 H new ATOM 0 HD22 LEU A 446 -0.434 -2.885 8.998 1.00 41.35 H new ATOM 0 HD23 LEU A 446 0.477 -1.631 9.873 1.00 41.35 H new ATOM 508 N SER A 447 4.146 -4.771 9.690 1.00 44.20 N ATOM 509 CA SER A 447 4.456 -6.083 10.245 1.00 22.40 C ATOM 510 C SER A 447 5.062 -5.954 11.639 1.00 34.23 C ATOM 511 O SER A 447 5.132 -6.928 12.388 1.00 60.14 O ATOM 512 CB SER A 447 5.421 -6.833 9.325 1.00 74.33 C ATOM 513 OG SER A 447 5.883 -8.027 9.933 1.00 11.44 O ATOM 0 H SER A 447 4.790 -4.457 8.964 1.00 44.20 H new ATOM 0 HA SER A 447 3.526 -6.647 10.323 1.00 22.40 H new ATOM 0 HB2 SER A 447 4.922 -7.070 8.385 1.00 74.33 H new ATOM 0 HB3 SER A 447 6.269 -6.193 9.083 1.00 74.33 H new ATOM 0 HG SER A 447 5.668 -8.011 10.889 1.00 11.44 H new ATOM 519 N GLU A 448 5.498 -4.746 11.979 1.00 43.40 N ATOM 520 CA GLU A 448 6.098 -4.489 13.283 1.00 35.53 C ATOM 521 C GLU A 448 5.135 -4.858 14.408 1.00 74.24 C ATOM 522 O GLU A 448 5.554 -5.116 15.536 1.00 42.51 O ATOM 523 CB GLU A 448 6.501 -3.018 13.403 1.00 12.21 C ATOM 524 CG GLU A 448 7.893 -2.722 12.871 1.00 43.11 C ATOM 525 CD GLU A 448 8.869 -2.347 13.969 1.00 34.10 C ATOM 526 OE1 GLU A 448 9.053 -3.158 14.901 1.00 34.10 O ATOM 527 OE2 GLU A 448 9.449 -1.244 13.897 1.00 2.25 O ATOM 0 H GLU A 448 5.447 -3.929 11.370 1.00 43.40 H new ATOM 0 HA GLU A 448 6.989 -5.111 13.373 1.00 35.53 H new ATOM 0 HB2 GLU A 448 5.778 -2.407 12.863 1.00 12.21 H new ATOM 0 HB3 GLU A 448 6.451 -2.721 14.450 1.00 12.21 H new ATOM 0 HG2 GLU A 448 8.268 -3.596 12.339 1.00 43.11 H new ATOM 0 HG3 GLU A 448 7.836 -1.909 12.147 1.00 43.11 H new ATOM 534 N GLN A 449 3.845 -4.882 14.090 1.00 71.41 N ATOM 535 CA GLN A 449 2.822 -5.218 15.073 1.00 25.13 C ATOM 536 C GLN A 449 2.187 -6.569 14.759 1.00 62.21 C ATOM 537 O GLN A 449 1.886 -7.350 15.660 1.00 43.40 O ATOM 538 CB GLN A 449 1.746 -4.132 15.113 1.00 63.02 C ATOM 539 CG GLN A 449 2.055 -2.937 14.226 1.00 13.51 C ATOM 540 CD GLN A 449 1.094 -1.784 14.444 1.00 72.40 C ATOM 541 OE1 GLN A 449 0.256 -1.490 13.592 1.00 60.03 O ATOM 542 NE2 GLN A 449 1.212 -1.125 15.590 1.00 4.51 N ATOM 0 H GLN A 449 3.483 -4.673 13.159 1.00 71.41 H new ATOM 0 HA GLN A 449 3.301 -5.281 16.050 1.00 25.13 H new ATOM 0 HB2 GLN A 449 0.793 -4.564 14.807 1.00 63.02 H new ATOM 0 HB3 GLN A 449 1.625 -3.790 16.141 1.00 63.02 H new ATOM 0 HG2 GLN A 449 3.073 -2.598 14.421 1.00 13.51 H new ATOM 0 HG3 GLN A 449 2.016 -3.245 13.181 1.00 13.51 H new ATOM 0 HE21 GLN A 449 1.921 -1.404 16.268 1.00 4.51 H new ATOM 0 HE22 GLN A 449 0.593 -0.340 15.793 1.00 4.51 H new ATOM 551 N GLY A 450 1.987 -6.837 13.472 1.00 51.44 N ATOM 552 CA GLY A 450 1.387 -8.093 13.061 1.00 31.33 C ATOM 553 C GLY A 450 0.716 -7.999 11.705 1.00 34.24 C ATOM 554 O GLY A 450 0.459 -9.017 11.061 1.00 20.53 O ATOM 0 H GLY A 450 2.230 -6.207 12.707 1.00 51.44 H new ATOM 0 HA2 GLY A 450 2.155 -8.866 13.030 1.00 31.33 H new ATOM 0 HA3 GLY A 450 0.653 -8.402 13.805 1.00 31.33 H new ATOM 558 N ILE A 451 0.428 -6.777 11.272 1.00 3.13 N ATOM 559 CA ILE A 451 -0.219 -6.555 9.985 1.00 32.44 C ATOM 560 C ILE A 451 0.590 -7.173 8.850 1.00 21.44 C ATOM 561 O ILE A 451 1.814 -7.277 8.932 1.00 42.11 O ATOM 562 CB ILE A 451 -0.413 -5.054 9.704 1.00 4.40 C ATOM 563 CG1 ILE A 451 -1.093 -4.373 10.894 1.00 13.31 C ATOM 564 CG2 ILE A 451 -1.228 -4.853 8.435 1.00 44.01 C ATOM 565 CD1 ILE A 451 -2.416 -5.001 11.274 1.00 73.43 C ATOM 0 H ILE A 451 0.633 -5.925 11.794 1.00 3.13 H new ATOM 0 HA ILE A 451 -1.196 -7.036 10.036 1.00 32.44 H new ATOM 0 HB ILE A 451 0.566 -4.598 9.559 1.00 4.40 H new ATOM 0 HG12 ILE A 451 -0.423 -4.408 11.753 1.00 13.31 H new ATOM 0 HG13 ILE A 451 -1.254 -3.321 10.657 1.00 13.31 H new ATOM 0 HG21 ILE A 451 -1.356 -3.786 8.250 1.00 44.01 H new ATOM 0 HG22 ILE A 451 -0.707 -5.307 7.592 1.00 44.01 H new ATOM 0 HG23 ILE A 451 -2.205 -5.321 8.552 1.00 44.01 H new ATOM 0 HD11 ILE A 451 -2.841 -4.468 12.124 1.00 73.43 H new ATOM 0 HD12 ILE A 451 -3.102 -4.943 10.429 1.00 73.43 H new ATOM 0 HD13 ILE A 451 -2.259 -6.046 11.542 1.00 73.43 H new ATOM 577 N MET A 452 -0.101 -7.580 7.791 1.00 44.40 N ATOM 578 CA MET A 452 0.554 -8.184 6.637 1.00 51.33 C ATOM 579 C MET A 452 -0.372 -8.184 5.424 1.00 23.14 C ATOM 580 O MET A 452 -0.899 -9.226 5.033 1.00 4.30 O ATOM 581 CB MET A 452 0.987 -9.615 6.961 1.00 4.01 C ATOM 582 CG MET A 452 -0.134 -10.480 7.514 1.00 51.24 C ATOM 583 SD MET A 452 0.335 -11.346 9.024 1.00 71.52 S ATOM 584 CE MET A 452 -0.489 -12.918 8.782 1.00 13.43 C ATOM 0 H MET A 452 -1.115 -7.503 7.708 1.00 44.40 H new ATOM 0 HA MET A 452 1.436 -7.589 6.399 1.00 51.33 H new ATOM 0 HB2 MET A 452 1.381 -10.080 6.057 1.00 4.01 H new ATOM 0 HB3 MET A 452 1.801 -9.584 7.685 1.00 4.01 H new ATOM 0 HG2 MET A 452 -1.004 -9.855 7.714 1.00 51.24 H new ATOM 0 HG3 MET A 452 -0.431 -11.209 6.760 1.00 51.24 H new ATOM 0 HE1 MET A 452 -0.293 -13.567 9.636 1.00 13.43 H new ATOM 0 HE2 MET A 452 -1.563 -12.755 8.688 1.00 13.43 H new ATOM 0 HE3 MET A 452 -0.113 -13.390 7.874 1.00 13.43 H new ATOM 594 N VAL A 453 -0.566 -7.009 4.834 1.00 72.14 N ATOM 595 CA VAL A 453 -1.428 -6.874 3.665 1.00 32.30 C ATOM 596 C VAL A 453 -0.761 -6.029 2.585 1.00 31.10 C ATOM 597 O VAL A 453 -0.808 -6.365 1.403 1.00 54.14 O ATOM 598 CB VAL A 453 -2.780 -6.238 4.036 1.00 15.23 C ATOM 599 CG1 VAL A 453 -3.741 -7.295 4.560 1.00 22.13 C ATOM 600 CG2 VAL A 453 -2.585 -5.129 5.058 1.00 52.12 C ATOM 0 H VAL A 453 -0.138 -6.137 5.146 1.00 72.14 H new ATOM 0 HA VAL A 453 -1.601 -7.879 3.281 1.00 32.30 H new ATOM 0 HB VAL A 453 -3.214 -5.799 3.138 1.00 15.23 H new ATOM 0 HG11 VAL A 453 -4.691 -6.827 4.817 1.00 22.13 H new ATOM 0 HG12 VAL A 453 -3.905 -8.051 3.792 1.00 22.13 H new ATOM 0 HG13 VAL A 453 -3.316 -7.765 5.447 1.00 22.13 H new ATOM 0 HG21 VAL A 453 -3.551 -4.691 5.308 1.00 52.12 H new ATOM 0 HG22 VAL A 453 -2.129 -5.540 5.958 1.00 52.12 H new ATOM 0 HG23 VAL A 453 -1.935 -4.360 4.641 1.00 52.12 H new ATOM 610 N ALA A 454 -0.139 -4.930 3.001 1.00 33.04 N ATOM 611 CA ALA A 454 0.541 -4.039 2.070 1.00 3.43 C ATOM 612 C ALA A 454 1.472 -4.815 1.146 1.00 71.42 C ATOM 613 O ALA A 454 1.739 -4.393 0.020 1.00 13.33 O ATOM 614 CB ALA A 454 1.317 -2.973 2.831 1.00 11.21 C ATOM 0 H ALA A 454 -0.092 -4.636 3.977 1.00 33.04 H new ATOM 0 HA ALA A 454 -0.215 -3.553 1.454 1.00 3.43 H new ATOM 0 HB1 ALA A 454 1.820 -2.314 2.123 1.00 11.21 H new ATOM 0 HB2 ALA A 454 0.629 -2.390 3.443 1.00 11.21 H new ATOM 0 HB3 ALA A 454 2.058 -3.450 3.472 1.00 11.21 H new ATOM 620 N ARG A 455 1.964 -5.952 1.628 1.00 1.32 N ATOM 621 CA ARG A 455 2.867 -6.786 0.846 1.00 71.31 C ATOM 622 C ARG A 455 2.280 -7.080 -0.533 1.00 10.54 C ATOM 623 O ARG A 455 2.819 -6.652 -1.552 1.00 71.42 O ATOM 624 CB ARG A 455 3.150 -8.097 1.581 1.00 72.41 C ATOM 625 CG ARG A 455 4.368 -8.840 1.056 1.00 63.23 C ATOM 626 CD ARG A 455 4.885 -9.850 2.068 1.00 62.40 C ATOM 627 NE ARG A 455 6.312 -9.679 2.332 1.00 75.21 N ATOM 628 CZ ARG A 455 6.979 -10.374 3.247 1.00 52.33 C ATOM 629 NH1 ARG A 455 6.351 -11.282 3.982 1.00 54.45 N ATOM 630 NH2 ARG A 455 8.276 -10.163 3.428 1.00 45.22 N ATOM 0 H ARG A 455 1.752 -6.316 2.557 1.00 1.32 H new ATOM 0 HA ARG A 455 3.802 -6.241 0.715 1.00 71.31 H new ATOM 0 HB2 ARG A 455 3.293 -7.886 2.641 1.00 72.41 H new ATOM 0 HB3 ARG A 455 2.277 -8.745 1.500 1.00 72.41 H new ATOM 0 HG2 ARG A 455 4.111 -9.352 0.129 1.00 63.23 H new ATOM 0 HG3 ARG A 455 5.156 -8.126 0.818 1.00 63.23 H new ATOM 0 HD2 ARG A 455 4.329 -9.747 3.000 1.00 62.40 H new ATOM 0 HD3 ARG A 455 4.703 -10.859 1.698 1.00 62.40 H new ATOM 0 HE ARG A 455 6.824 -8.988 1.784 1.00 75.21 H new ATOM 0 HH11 ARG A 455 5.354 -11.448 3.845 1.00 54.45 H new ATOM 0 HH12 ARG A 455 6.865 -11.814 4.684 1.00 54.45 H new ATOM 0 HH21 ARG A 455 8.763 -9.466 2.864 1.00 45.22 H new ATOM 0 HH22 ARG A 455 8.786 -10.698 4.131 1.00 45.22 H new ATOM 644 N ARG A 456 1.172 -7.813 -0.553 1.00 54.02 N ATOM 645 CA ARG A 456 0.512 -8.166 -1.804 1.00 72.20 C ATOM 646 C ARG A 456 -0.438 -7.057 -2.249 1.00 54.12 C ATOM 647 O ARG A 456 -0.649 -6.848 -3.444 1.00 23.43 O ATOM 648 CB ARG A 456 -0.257 -9.479 -1.648 1.00 60.13 C ATOM 649 CG ARG A 456 -0.660 -10.110 -2.971 1.00 15.23 C ATOM 650 CD ARG A 456 -1.998 -9.576 -3.459 1.00 12.44 C ATOM 651 NE ARG A 456 -2.891 -10.648 -3.888 1.00 73.15 N ATOM 652 CZ ARG A 456 -3.609 -11.387 -3.050 1.00 71.04 C ATOM 653 NH1 ARG A 456 -3.541 -11.170 -1.744 1.00 31.21 N ATOM 654 NH2 ARG A 456 -4.400 -12.345 -3.519 1.00 3.12 N ATOM 0 H ARG A 456 0.712 -8.174 0.283 1.00 54.02 H new ATOM 0 HA ARG A 456 1.280 -8.292 -2.567 1.00 72.20 H new ATOM 0 HB2 ARG A 456 0.357 -10.186 -1.090 1.00 60.13 H new ATOM 0 HB3 ARG A 456 -1.153 -9.297 -1.054 1.00 60.13 H new ATOM 0 HG2 ARG A 456 0.107 -9.910 -3.719 1.00 15.23 H new ATOM 0 HG3 ARG A 456 -0.719 -11.192 -2.856 1.00 15.23 H new ATOM 0 HD2 ARG A 456 -2.473 -9.006 -2.661 1.00 12.44 H new ATOM 0 HD3 ARG A 456 -1.833 -8.888 -4.288 1.00 12.44 H new ATOM 0 HE ARG A 456 -2.968 -10.840 -4.887 1.00 73.15 H new ATOM 0 HH11 ARG A 456 -2.936 -10.434 -1.380 1.00 31.21 H new ATOM 0 HH12 ARG A 456 -4.094 -11.739 -1.103 1.00 31.21 H new ATOM 0 HH21 ARG A 456 -4.456 -12.514 -4.523 1.00 3.12 H new ATOM 0 HH22 ARG A 456 -4.951 -12.912 -2.875 1.00 3.12 H new ATOM 668 N THR A 457 -1.010 -6.350 -1.279 1.00 53.03 N ATOM 669 CA THR A 457 -1.938 -5.266 -1.570 1.00 44.11 C ATOM 670 C THR A 457 -1.265 -4.170 -2.389 1.00 3.15 C ATOM 671 O THR A 457 -1.680 -3.873 -3.508 1.00 13.22 O ATOM 672 CB THR A 457 -2.505 -4.650 -0.277 1.00 4.34 C ATOM 673 OG1 THR A 457 -3.394 -5.576 0.358 1.00 4.41 O ATOM 674 CG2 THR A 457 -3.243 -3.353 -0.573 1.00 21.44 C ATOM 0 H THR A 457 -0.846 -6.510 -0.285 1.00 53.03 H new ATOM 0 HA THR A 457 -2.756 -5.697 -2.148 1.00 44.11 H new ATOM 0 HB THR A 457 -1.671 -4.431 0.390 1.00 4.34 H new ATOM 0 HG1 THR A 457 -2.882 -6.169 0.947 1.00 4.41 H new ATOM 0 HG21 THR A 457 -3.634 -2.937 0.355 1.00 21.44 H new ATOM 0 HG22 THR A 457 -2.557 -2.640 -1.029 1.00 21.44 H new ATOM 0 HG23 THR A 457 -4.068 -3.552 -1.257 1.00 21.44 H new ATOM 682 N VAL A 458 -0.221 -3.572 -1.822 1.00 40.03 N ATOM 683 CA VAL A 458 0.513 -2.510 -2.501 1.00 0.42 C ATOM 684 C VAL A 458 1.023 -2.976 -3.859 1.00 61.13 C ATOM 685 O VAL A 458 0.824 -2.306 -4.872 1.00 22.43 O ATOM 686 CB VAL A 458 1.704 -2.022 -1.656 1.00 33.32 C ATOM 687 CG1 VAL A 458 2.451 -0.911 -2.377 1.00 4.33 C ATOM 688 CG2 VAL A 458 1.232 -1.559 -0.286 1.00 64.22 C ATOM 0 H VAL A 458 0.135 -3.805 -0.895 1.00 40.03 H new ATOM 0 HA VAL A 458 -0.184 -1.684 -2.643 1.00 0.42 H new ATOM 0 HB VAL A 458 2.392 -2.856 -1.514 1.00 33.32 H new ATOM 0 HG11 VAL A 458 3.289 -0.579 -1.764 1.00 4.33 H new ATOM 0 HG12 VAL A 458 2.824 -1.283 -3.331 1.00 4.33 H new ATOM 0 HG13 VAL A 458 1.776 -0.073 -2.553 1.00 4.33 H new ATOM 0 HG21 VAL A 458 2.087 -1.218 0.297 1.00 64.22 H new ATOM 0 HG22 VAL A 458 0.523 -0.740 -0.403 1.00 64.22 H new ATOM 0 HG23 VAL A 458 0.748 -2.387 0.231 1.00 64.22 H new ATOM 698 N ALA A 459 1.683 -4.130 -3.873 1.00 54.15 N ATOM 699 CA ALA A 459 2.220 -4.688 -5.108 1.00 3.10 C ATOM 700 C ALA A 459 1.124 -4.864 -6.154 1.00 31.14 C ATOM 701 O ALA A 459 1.351 -4.662 -7.347 1.00 42.33 O ATOM 702 CB ALA A 459 2.907 -6.017 -4.831 1.00 61.25 C ATOM 0 H ALA A 459 1.858 -4.696 -3.043 1.00 54.15 H new ATOM 0 HA ALA A 459 2.955 -3.987 -5.505 1.00 3.10 H new ATOM 0 HB1 ALA A 459 3.303 -6.423 -5.762 1.00 61.25 H new ATOM 0 HB2 ALA A 459 3.723 -5.864 -4.125 1.00 61.25 H new ATOM 0 HB3 ALA A 459 2.187 -6.717 -4.408 1.00 61.25 H new ATOM 708 N LYS A 460 -0.065 -5.243 -5.699 1.00 0.30 N ATOM 709 CA LYS A 460 -1.198 -5.447 -6.595 1.00 22.14 C ATOM 710 C LYS A 460 -1.451 -4.205 -7.443 1.00 4.13 C ATOM 711 O LYS A 460 -1.458 -4.272 -8.672 1.00 13.11 O ATOM 712 CB LYS A 460 -2.454 -5.794 -5.791 1.00 4.23 C ATOM 713 CG LYS A 460 -3.005 -7.176 -6.091 1.00 55.41 C ATOM 714 CD LYS A 460 -3.624 -7.241 -7.477 1.00 72.23 C ATOM 715 CE LYS A 460 -2.735 -8.003 -8.449 1.00 44.43 C ATOM 716 NZ LYS A 460 -3.531 -8.718 -9.485 1.00 44.51 N ATOM 0 H LYS A 460 -0.270 -5.415 -4.715 1.00 0.30 H new ATOM 0 HA LYS A 460 -0.959 -6.277 -7.260 1.00 22.14 H new ATOM 0 HB2 LYS A 460 -2.225 -5.726 -4.728 1.00 4.23 H new ATOM 0 HB3 LYS A 460 -3.225 -5.052 -5.999 1.00 4.23 H new ATOM 0 HG2 LYS A 460 -2.205 -7.912 -6.014 1.00 55.41 H new ATOM 0 HG3 LYS A 460 -3.754 -7.440 -5.344 1.00 55.41 H new ATOM 0 HD2 LYS A 460 -4.599 -7.724 -7.419 1.00 72.23 H new ATOM 0 HD3 LYS A 460 -3.791 -6.230 -7.850 1.00 72.23 H new ATOM 0 HE2 LYS A 460 -2.048 -7.309 -8.934 1.00 44.43 H new ATOM 0 HE3 LYS A 460 -2.127 -8.721 -7.899 1.00 44.43 H new ATOM 0 HZ1 LYS A 460 -2.889 -9.225 -10.128 1.00 44.51 H new ATOM 0 HZ2 LYS A 460 -4.168 -9.399 -9.025 1.00 44.51 H new ATOM 0 HZ3 LYS A 460 -4.092 -8.031 -10.027 1.00 44.51 H new ATOM 730 N TYR A 461 -1.658 -3.072 -6.779 1.00 34.54 N ATOM 731 CA TYR A 461 -1.911 -1.816 -7.473 1.00 43.33 C ATOM 732 C TYR A 461 -0.633 -1.274 -8.105 1.00 31.24 C ATOM 733 O TYR A 461 -0.677 -0.550 -9.099 1.00 32.41 O ATOM 734 CB TYR A 461 -2.493 -0.783 -6.505 1.00 73.13 C ATOM 735 CG TYR A 461 -3.844 -1.170 -5.948 1.00 11.11 C ATOM 736 CD1 TYR A 461 -5.003 -0.984 -6.691 1.00 20.10 C ATOM 737 CD2 TYR A 461 -3.962 -1.722 -4.678 1.00 40.31 C ATOM 738 CE1 TYR A 461 -6.240 -1.335 -6.185 1.00 45.15 C ATOM 739 CE2 TYR A 461 -5.194 -2.078 -4.165 1.00 45.35 C ATOM 740 CZ TYR A 461 -6.330 -1.882 -4.922 1.00 5.40 C ATOM 741 OH TYR A 461 -7.561 -2.233 -4.416 1.00 21.15 O ATOM 0 H TYR A 461 -1.655 -2.999 -5.762 1.00 34.54 H new ATOM 0 HA TYR A 461 -2.633 -2.008 -8.267 1.00 43.33 H new ATOM 0 HB2 TYR A 461 -1.797 -0.638 -5.679 1.00 73.13 H new ATOM 0 HB3 TYR A 461 -2.582 0.174 -7.018 1.00 73.13 H new ATOM 0 HD1 TYR A 461 -4.936 -0.558 -7.681 1.00 20.10 H new ATOM 0 HD2 TYR A 461 -3.075 -1.875 -4.082 1.00 40.31 H new ATOM 0 HE1 TYR A 461 -7.131 -1.182 -6.775 1.00 45.15 H new ATOM 0 HE2 TYR A 461 -5.267 -2.507 -3.177 1.00 45.35 H new ATOM 0 HH TYR A 461 -7.451 -2.605 -3.516 1.00 21.15 H new ATOM 751 N ARG A 462 0.506 -1.629 -7.518 1.00 73.25 N ATOM 752 CA ARG A 462 1.798 -1.179 -8.022 1.00 1.41 C ATOM 753 C ARG A 462 1.965 -1.546 -9.494 1.00 31.13 C ATOM 754 O ARG A 462 2.404 -0.727 -10.300 1.00 73.32 O ATOM 755 CB ARG A 462 2.932 -1.793 -7.199 1.00 75.40 C ATOM 756 CG ARG A 462 4.311 -1.560 -7.794 1.00 55.23 C ATOM 757 CD ARG A 462 5.408 -2.091 -6.884 1.00 1.30 C ATOM 758 NE ARG A 462 6.408 -2.857 -7.622 1.00 21.34 N ATOM 759 CZ ARG A 462 6.248 -4.127 -7.976 1.00 31.35 C ATOM 760 NH1 ARG A 462 5.133 -4.771 -7.661 1.00 1.24 N ATOM 761 NH2 ARG A 462 7.205 -4.755 -8.646 1.00 75.42 N ATOM 0 H ARG A 462 0.560 -2.227 -6.693 1.00 73.25 H new ATOM 0 HA ARG A 462 1.838 -0.094 -7.930 1.00 1.41 H new ATOM 0 HB2 ARG A 462 2.905 -1.377 -6.192 1.00 75.40 H new ATOM 0 HB3 ARG A 462 2.762 -2.866 -7.106 1.00 75.40 H new ATOM 0 HG2 ARG A 462 4.376 -2.048 -8.767 1.00 55.23 H new ATOM 0 HG3 ARG A 462 4.461 -0.493 -7.962 1.00 55.23 H new ATOM 0 HD2 ARG A 462 5.893 -1.257 -6.376 1.00 1.30 H new ATOM 0 HD3 ARG A 462 4.966 -2.721 -6.112 1.00 1.30 H new ATOM 0 HE ARG A 462 7.278 -2.391 -7.880 1.00 21.34 H new ATOM 0 HH11 ARG A 462 4.395 -4.291 -7.145 1.00 1.24 H new ATOM 0 HH12 ARG A 462 5.013 -5.746 -7.934 1.00 1.24 H new ATOM 0 HH21 ARG A 462 8.064 -4.263 -8.890 1.00 75.42 H new ATOM 0 HH22 ARG A 462 7.082 -5.730 -8.918 1.00 75.42 H new ATOM 775 N GLU A 463 1.613 -2.782 -9.834 1.00 53.13 N ATOM 776 CA GLU A 463 1.725 -3.256 -11.208 1.00 32.43 C ATOM 777 C GLU A 463 1.039 -2.295 -12.174 1.00 61.52 C ATOM 778 O GLU A 463 1.446 -2.163 -13.329 1.00 12.34 O ATOM 779 CB GLU A 463 1.114 -4.653 -11.341 1.00 2.04 C ATOM 780 CG GLU A 463 1.905 -5.734 -10.626 1.00 32.31 C ATOM 781 CD GLU A 463 1.571 -7.127 -11.123 1.00 12.12 C ATOM 782 OE1 GLU A 463 1.595 -7.339 -12.353 1.00 44.13 O ATOM 783 OE2 GLU A 463 1.285 -8.005 -10.283 1.00 22.15 O ATOM 0 H GLU A 463 1.248 -3.472 -9.178 1.00 53.13 H new ATOM 0 HA GLU A 463 2.784 -3.304 -11.462 1.00 32.43 H new ATOM 0 HB2 GLU A 463 0.099 -4.635 -10.945 1.00 2.04 H new ATOM 0 HB3 GLU A 463 1.039 -4.908 -12.398 1.00 2.04 H new ATOM 0 HG2 GLU A 463 2.971 -5.549 -10.762 1.00 32.31 H new ATOM 0 HG3 GLU A 463 1.706 -5.677 -9.556 1.00 32.31 H new ATOM 790 N SER A 464 -0.003 -1.624 -11.693 1.00 34.12 N ATOM 791 CA SER A 464 -0.748 -0.678 -12.513 1.00 71.24 C ATOM 792 C SER A 464 -1.478 0.340 -11.642 1.00 62.41 C ATOM 793 O SER A 464 -2.684 0.230 -11.417 1.00 62.01 O ATOM 794 CB SER A 464 -1.751 -1.420 -13.400 1.00 64.33 C ATOM 795 OG SER A 464 -1.144 -2.529 -14.039 1.00 71.11 O ATOM 0 H SER A 464 -0.350 -1.719 -10.739 1.00 34.12 H new ATOM 0 HA SER A 464 -0.038 -0.145 -13.146 1.00 71.24 H new ATOM 0 HB2 SER A 464 -2.593 -1.760 -12.797 1.00 64.33 H new ATOM 0 HB3 SER A 464 -2.151 -0.738 -14.150 1.00 64.33 H new ATOM 0 HG SER A 464 -1.806 -2.987 -14.598 1.00 71.11 H new ATOM 801 N LEU A 465 -0.738 1.330 -11.155 1.00 54.12 N ATOM 802 CA LEU A 465 -1.313 2.369 -10.307 1.00 51.35 C ATOM 803 C LEU A 465 -1.687 3.598 -11.131 1.00 12.33 C ATOM 804 O LEU A 465 -2.629 4.317 -10.798 1.00 55.25 O ATOM 805 CB LEU A 465 -0.327 2.760 -9.206 1.00 74.41 C ATOM 806 CG LEU A 465 1.150 2.494 -9.501 1.00 54.04 C ATOM 807 CD1 LEU A 465 1.622 3.347 -10.668 1.00 63.24 C ATOM 808 CD2 LEU A 465 1.997 2.760 -8.266 1.00 61.31 C ATOM 0 H LEU A 465 0.261 1.435 -11.333 1.00 54.12 H new ATOM 0 HA LEU A 465 -2.219 1.971 -9.850 1.00 51.35 H new ATOM 0 HB2 LEU A 465 -0.449 3.823 -8.997 1.00 74.41 H new ATOM 0 HB3 LEU A 465 -0.597 2.223 -8.297 1.00 74.41 H new ATOM 0 HG LEU A 465 1.263 1.445 -9.775 1.00 54.04 H new ATOM 0 HD11 LEU A 465 2.675 3.145 -10.864 1.00 63.24 H new ATOM 0 HD12 LEU A 465 1.035 3.107 -11.555 1.00 63.24 H new ATOM 0 HD13 LEU A 465 1.494 4.401 -10.423 1.00 63.24 H new ATOM 0 HD21 LEU A 465 3.045 2.565 -8.495 1.00 61.31 H new ATOM 0 HD22 LEU A 465 1.879 3.800 -7.961 1.00 61.31 H new ATOM 0 HD23 LEU A 465 1.675 2.106 -7.456 1.00 61.31 H new