USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 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= 0.095 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ 165:sc= 0.135 (180deg=0.0802) USER MOD Single : A 426 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.128) USER MOD Single : A 432 ASN : amide:sc=-0.000624 X(o=-0.00062,f=-0.041) 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+ 176:sc= 0 (180deg=-0.00773) USER MOD Single : A 443 THR OG1 : rot -115:sc= 1.15 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -4:sc= 0.103 USER MOD Single : A 449 GLN : amide:sc= -0.0572 X(o=-0.057,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= 0.267 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.491 -0.397 -7.174 1.00 21.10 N ATOM 2 CA GLU A 414 -17.263 0.370 -8.394 1.00 53.13 C ATOM 3 C GLU A 414 -16.572 1.694 -8.083 1.00 41.24 C ATOM 4 O GLU A 414 -15.453 1.942 -8.532 1.00 3.34 O ATOM 5 CB GLU A 414 -18.588 0.630 -9.113 1.00 71.54 C ATOM 6 CG GLU A 414 -18.949 -0.440 -10.130 1.00 41.42 C ATOM 7 CD GLU A 414 -18.265 -0.229 -11.466 1.00 64.05 C ATOM 8 OE1 GLU A 414 -18.533 0.804 -12.115 1.00 5.53 O ATOM 9 OE2 GLU A 414 -17.460 -1.098 -11.864 1.00 52.44 O ATOM 0 HA GLU A 414 -16.613 -0.215 -9.045 1.00 53.13 H new ATOM 0 HB2 GLU A 414 -19.385 0.700 -8.373 1.00 71.54 H new ATOM 0 HB3 GLU A 414 -18.535 1.595 -9.617 1.00 71.54 H new ATOM 0 HG2 GLU A 414 -18.674 -1.418 -9.736 1.00 41.42 H new ATOM 0 HG3 GLU A 414 -20.029 -0.447 -10.276 1.00 41.42 H new ATOM 16 N ALA A 415 -17.247 2.541 -7.313 1.00 34.11 N ATOM 17 CA ALA A 415 -16.699 3.839 -6.941 1.00 2.03 C ATOM 18 C ALA A 415 -15.673 3.701 -5.821 1.00 43.11 C ATOM 19 O ALA A 415 -15.025 4.674 -5.437 1.00 31.33 O ATOM 20 CB ALA A 415 -17.815 4.784 -6.523 1.00 73.31 C ATOM 0 H ALA A 415 -18.175 2.351 -6.935 1.00 34.11 H new ATOM 0 HA ALA A 415 -16.194 4.255 -7.813 1.00 2.03 H new ATOM 0 HB1 ALA A 415 -17.390 5.749 -6.248 1.00 73.31 H new ATOM 0 HB2 ALA A 415 -18.510 4.916 -7.353 1.00 73.31 H new ATOM 0 HB3 ALA A 415 -18.346 4.365 -5.668 1.00 73.31 H new ATOM 26 N SER A 416 -15.533 2.486 -5.300 1.00 23.40 N ATOM 27 CA SER A 416 -14.588 2.222 -4.220 1.00 73.14 C ATOM 28 C SER A 416 -13.171 2.067 -4.764 1.00 2.30 C ATOM 29 O SER A 416 -12.193 2.240 -4.036 1.00 35.33 O ATOM 30 CB SER A 416 -14.994 0.960 -3.457 1.00 51.21 C ATOM 31 OG SER A 416 -15.931 0.196 -4.197 1.00 35.53 O ATOM 0 H SER A 416 -16.061 1.669 -5.608 1.00 23.40 H new ATOM 0 HA SER A 416 -14.606 3.072 -3.538 1.00 73.14 H new ATOM 0 HB2 SER A 416 -14.110 0.356 -3.250 1.00 51.21 H new ATOM 0 HB3 SER A 416 -15.424 1.236 -2.494 1.00 51.21 H new ATOM 0 HG SER A 416 -16.173 -0.606 -3.689 1.00 35.53 H new ATOM 37 N SER A 417 -13.068 1.740 -6.048 1.00 35.03 N ATOM 38 CA SER A 417 -11.772 1.558 -6.689 1.00 1.01 C ATOM 39 C SER A 417 -10.886 2.782 -6.481 1.00 41.41 C ATOM 40 O SER A 417 -9.662 2.671 -6.394 1.00 40.24 O ATOM 41 CB SER A 417 -11.952 1.293 -8.185 1.00 71.33 C ATOM 42 OG SER A 417 -11.998 2.506 -8.916 1.00 25.43 O ATOM 0 H SER A 417 -13.867 1.596 -6.665 1.00 35.03 H new ATOM 0 HA SER A 417 -11.286 0.697 -6.231 1.00 1.01 H new ATOM 0 HB2 SER A 417 -11.131 0.676 -8.550 1.00 71.33 H new ATOM 0 HB3 SER A 417 -12.871 0.730 -8.350 1.00 71.33 H new ATOM 0 HG SER A 417 -12.112 2.309 -9.869 1.00 25.43 H new ATOM 48 N THR A 418 -11.512 3.952 -6.402 1.00 53.32 N ATOM 49 CA THR A 418 -10.783 5.198 -6.205 1.00 51.50 C ATOM 50 C THR A 418 -10.469 5.424 -4.730 1.00 63.24 C ATOM 51 O THR A 418 -9.513 6.121 -4.390 1.00 63.30 O ATOM 52 CB THR A 418 -11.578 6.405 -6.740 1.00 12.22 C ATOM 53 OG1 THR A 418 -11.828 6.245 -8.141 1.00 20.35 O ATOM 54 CG2 THR A 418 -10.820 7.701 -6.499 1.00 51.20 C ATOM 0 H THR A 418 -12.524 4.062 -6.472 1.00 53.32 H new ATOM 0 HA THR A 418 -9.851 5.110 -6.763 1.00 51.50 H new ATOM 0 HB THR A 418 -12.527 6.453 -6.206 1.00 12.22 H new ATOM 0 HG1 THR A 418 -12.335 7.015 -8.473 1.00 20.35 H new ATOM 0 HG21 THR A 418 -11.400 8.539 -6.885 1.00 51.20 H new ATOM 0 HG22 THR A 418 -10.658 7.834 -5.429 1.00 51.20 H new ATOM 0 HG23 THR A 418 -9.858 7.660 -7.010 1.00 51.20 H new ATOM 62 N ALA A 419 -11.278 4.831 -3.860 1.00 11.12 N ATOM 63 CA ALA A 419 -11.084 4.965 -2.421 1.00 41.25 C ATOM 64 C ALA A 419 -9.807 4.263 -1.972 1.00 33.14 C ATOM 65 O ALA A 419 -9.162 4.683 -1.012 1.00 11.43 O ATOM 66 CB ALA A 419 -12.286 4.411 -1.673 1.00 12.34 C ATOM 0 H ALA A 419 -12.075 4.252 -4.126 1.00 11.12 H new ATOM 0 HA ALA A 419 -10.984 6.025 -2.189 1.00 41.25 H new ATOM 0 HB1 ALA A 419 -12.127 4.518 -0.600 1.00 12.34 H new ATOM 0 HB2 ALA A 419 -13.181 4.961 -1.964 1.00 12.34 H new ATOM 0 HB3 ALA A 419 -12.413 3.356 -1.918 1.00 12.34 H new ATOM 72 N ILE A 420 -9.450 3.191 -2.672 1.00 3.14 N ATOM 73 CA ILE A 420 -8.251 2.431 -2.344 1.00 24.55 C ATOM 74 C ILE A 420 -6.996 3.145 -2.833 1.00 63.33 C ATOM 75 O ILE A 420 -5.884 2.830 -2.409 1.00 33.05 O ATOM 76 CB ILE A 420 -8.295 1.017 -2.955 1.00 52.30 C ATOM 77 CG1 ILE A 420 -9.637 0.349 -2.651 1.00 35.33 C ATOM 78 CG2 ILE A 420 -7.145 0.175 -2.425 1.00 12.03 C ATOM 79 CD1 ILE A 420 -9.907 0.178 -1.172 1.00 24.30 C ATOM 0 H ILE A 420 -9.974 2.830 -3.469 1.00 3.14 H new ATOM 0 HA ILE A 420 -8.218 2.348 -1.258 1.00 24.55 H new ATOM 0 HB ILE A 420 -8.189 1.100 -4.037 1.00 52.30 H new ATOM 0 HG12 ILE A 420 -10.437 0.943 -3.092 1.00 35.33 H new ATOM 0 HG13 ILE A 420 -9.664 -0.629 -3.132 1.00 35.33 H new ATOM 0 HG21 ILE A 420 -7.190 -0.821 -2.866 1.00 12.03 H new ATOM 0 HG22 ILE A 420 -6.198 0.646 -2.688 1.00 12.03 H new ATOM 0 HG23 ILE A 420 -7.222 0.096 -1.341 1.00 12.03 H new ATOM 0 HD11 ILE A 420 -10.876 -0.302 -1.032 1.00 24.30 H new ATOM 0 HD12 ILE A 420 -9.127 -0.442 -0.729 1.00 24.30 H new ATOM 0 HD13 ILE A 420 -9.913 1.155 -0.688 1.00 24.30 H new ATOM 91 N ARG A 421 -7.182 4.109 -3.728 1.00 64.03 N ATOM 92 CA ARG A 421 -6.065 4.870 -4.276 1.00 31.23 C ATOM 93 C ARG A 421 -5.337 5.636 -3.176 1.00 14.11 C ATOM 94 O ARG A 421 -4.196 6.060 -3.352 1.00 23.05 O ATOM 95 CB ARG A 421 -6.559 5.842 -5.348 1.00 42.35 C ATOM 96 CG ARG A 421 -5.644 5.931 -6.559 1.00 34.33 C ATOM 97 CD ARG A 421 -6.170 5.095 -7.717 1.00 1.41 C ATOM 98 NE ARG A 421 -5.863 3.677 -7.552 1.00 55.11 N ATOM 99 CZ ARG A 421 -6.101 2.761 -8.484 1.00 21.44 C ATOM 100 NH1 ARG A 421 -6.644 3.113 -9.640 1.00 75.44 N ATOM 101 NH2 ARG A 421 -5.793 1.490 -8.259 1.00 34.03 N ATOM 0 H ARG A 421 -8.096 4.382 -4.090 1.00 64.03 H new ATOM 0 HA ARG A 421 -5.366 4.166 -4.728 1.00 31.23 H new ATOM 0 HB2 ARG A 421 -7.552 5.534 -5.676 1.00 42.35 H new ATOM 0 HB3 ARG A 421 -6.662 6.834 -4.907 1.00 42.35 H new ATOM 0 HG2 ARG A 421 -5.552 6.971 -6.872 1.00 34.33 H new ATOM 0 HG3 ARG A 421 -4.645 5.591 -6.287 1.00 34.33 H new ATOM 0 HD2 ARG A 421 -7.249 5.225 -7.797 1.00 1.41 H new ATOM 0 HD3 ARG A 421 -5.735 5.454 -8.650 1.00 1.41 H new ATOM 0 HE ARG A 421 -5.443 3.373 -6.673 1.00 55.11 H new ATOM 0 HH11 ARG A 421 -6.880 4.089 -9.816 1.00 75.44 H new ATOM 0 HH12 ARG A 421 -6.826 2.408 -10.354 1.00 75.44 H new ATOM 0 HH21 ARG A 421 -5.374 1.216 -7.370 1.00 34.03 H new ATOM 0 HH22 ARG A 421 -5.976 0.787 -8.975 1.00 34.03 H new ATOM 115 N ALA A 422 -6.007 5.809 -2.041 1.00 53.31 N ATOM 116 CA ALA A 422 -5.424 6.523 -0.911 1.00 43.54 C ATOM 117 C ALA A 422 -4.608 5.584 -0.031 1.00 22.25 C ATOM 118 O ALA A 422 -3.697 6.015 0.677 1.00 24.33 O ATOM 119 CB ALA A 422 -6.515 7.200 -0.095 1.00 43.20 C ATOM 0 H ALA A 422 -6.953 5.465 -1.880 1.00 53.31 H new ATOM 0 HA ALA A 422 -4.752 7.287 -1.303 1.00 43.54 H new ATOM 0 HB1 ALA A 422 -6.066 7.729 0.745 1.00 43.20 H new ATOM 0 HB2 ALA A 422 -7.053 7.909 -0.724 1.00 43.20 H new ATOM 0 HB3 ALA A 422 -7.209 6.448 0.280 1.00 43.20 H new ATOM 125 N LEU A 423 -4.940 4.298 -0.078 1.00 42.33 N ATOM 126 CA LEU A 423 -4.238 3.297 0.717 1.00 31.54 C ATOM 127 C LEU A 423 -2.763 3.232 0.332 1.00 30.04 C ATOM 128 O LEU A 423 -1.885 3.249 1.194 1.00 24.55 O ATOM 129 CB LEU A 423 -4.886 1.923 0.531 1.00 5.22 C ATOM 130 CG LEU A 423 -5.653 1.375 1.736 1.00 60.15 C ATOM 131 CD1 LEU A 423 -4.688 0.886 2.805 1.00 74.13 C ATOM 132 CD2 LEU A 423 -6.587 2.434 2.301 1.00 43.42 C ATOM 0 H LEU A 423 -5.691 3.924 -0.658 1.00 42.33 H new ATOM 0 HA LEU A 423 -4.309 3.587 1.765 1.00 31.54 H new ATOM 0 HB2 LEU A 423 -5.570 1.977 -0.316 1.00 5.22 H new ATOM 0 HB3 LEU A 423 -4.107 1.209 0.266 1.00 5.22 H new ATOM 0 HG LEU A 423 -6.255 0.529 1.405 1.00 60.15 H new ATOM 0 HD11 LEU A 423 -5.251 0.500 3.654 1.00 74.13 H new ATOM 0 HD12 LEU A 423 -4.061 0.094 2.395 1.00 74.13 H new ATOM 0 HD13 LEU A 423 -4.059 1.713 3.133 1.00 74.13 H new ATOM 0 HD21 LEU A 423 -7.124 2.026 3.157 1.00 43.42 H new ATOM 0 HD22 LEU A 423 -6.006 3.301 2.616 1.00 43.42 H new ATOM 0 HD23 LEU A 423 -7.301 2.735 1.535 1.00 43.42 H new ATOM 144 N VAL A 424 -2.499 3.161 -0.968 1.00 74.50 N ATOM 145 CA VAL A 424 -1.131 3.097 -1.469 1.00 13.22 C ATOM 146 C VAL A 424 -0.382 4.393 -1.185 1.00 25.12 C ATOM 147 O VAL A 424 0.846 4.447 -1.273 1.00 10.52 O ATOM 148 CB VAL A 424 -1.099 2.819 -2.983 1.00 73.41 C ATOM 149 CG1 VAL A 424 0.334 2.650 -3.465 1.00 11.10 C ATOM 150 CG2 VAL A 424 -1.930 1.588 -3.316 1.00 1.52 C ATOM 0 H VAL A 424 -3.215 3.146 -1.694 1.00 74.50 H new ATOM 0 HA VAL A 424 -0.641 2.275 -0.947 1.00 13.22 H new ATOM 0 HB VAL A 424 -1.533 3.674 -3.501 1.00 73.41 H new ATOM 0 HG11 VAL A 424 0.337 2.454 -4.537 1.00 11.10 H new ATOM 0 HG12 VAL A 424 0.896 3.561 -3.261 1.00 11.10 H new ATOM 0 HG13 VAL A 424 0.797 1.813 -2.942 1.00 11.10 H new ATOM 0 HG21 VAL A 424 -1.896 1.406 -4.390 1.00 1.52 H new ATOM 0 HG22 VAL A 424 -1.527 0.723 -2.789 1.00 1.52 H new ATOM 0 HG23 VAL A 424 -2.963 1.752 -3.008 1.00 1.52 H new ATOM 160 N LYS A 425 -1.127 5.439 -0.843 1.00 71.04 N ATOM 161 CA LYS A 425 -0.535 6.737 -0.545 1.00 73.35 C ATOM 162 C LYS A 425 0.022 6.768 0.875 1.00 62.51 C ATOM 163 O LYS A 425 0.895 7.576 1.193 1.00 52.43 O ATOM 164 CB LYS A 425 -1.574 7.848 -0.721 1.00 25.53 C ATOM 165 CG LYS A 425 -1.116 8.969 -1.637 1.00 52.30 C ATOM 166 CD LYS A 425 -1.657 8.794 -3.046 1.00 41.21 C ATOM 167 CE LYS A 425 -2.833 9.721 -3.311 1.00 44.32 C ATOM 168 NZ LYS A 425 -3.794 9.134 -4.286 1.00 23.12 N ATOM 0 H LYS A 425 -2.144 5.412 -0.765 1.00 71.04 H new ATOM 0 HA LYS A 425 0.286 6.902 -1.243 1.00 73.35 H new ATOM 0 HB2 LYS A 425 -2.492 7.416 -1.120 1.00 25.53 H new ATOM 0 HB3 LYS A 425 -1.817 8.265 0.256 1.00 25.53 H new ATOM 0 HG2 LYS A 425 -1.447 9.927 -1.235 1.00 52.30 H new ATOM 0 HG3 LYS A 425 -0.027 8.995 -1.665 1.00 52.30 H new ATOM 0 HD2 LYS A 425 -0.865 8.993 -3.768 1.00 41.21 H new ATOM 0 HD3 LYS A 425 -1.968 7.759 -3.192 1.00 41.21 H new ATOM 0 HE2 LYS A 425 -3.349 9.930 -2.374 1.00 44.32 H new ATOM 0 HE3 LYS A 425 -2.466 10.674 -3.692 1.00 44.32 H new ATOM 0 HZ1 LYS A 425 -4.690 9.662 -4.251 1.00 23.12 H new ATOM 0 HZ2 LYS A 425 -3.395 9.192 -5.245 1.00 23.12 H new ATOM 0 HZ3 LYS A 425 -3.969 8.138 -4.044 1.00 23.12 H new ATOM 182 N LYS A 426 -0.486 5.881 1.723 1.00 22.32 N ATOM 183 CA LYS A 426 -0.038 5.804 3.109 1.00 21.53 C ATOM 184 C LYS A 426 1.288 5.054 3.211 1.00 33.00 C ATOM 185 O LYS A 426 2.167 5.431 3.986 1.00 13.33 O ATOM 186 CB LYS A 426 -1.095 5.110 3.970 1.00 53.21 C ATOM 187 CG LYS A 426 -1.194 5.668 5.380 1.00 42.14 C ATOM 188 CD LYS A 426 -1.732 4.634 6.354 1.00 64.21 C ATOM 189 CE LYS A 426 -2.190 5.277 7.653 1.00 62.31 C ATOM 190 NZ LYS A 426 -1.122 6.116 8.264 1.00 30.43 N ATOM 0 H LYS A 426 -1.208 5.205 1.475 1.00 22.32 H new ATOM 0 HA LYS A 426 0.110 6.820 3.474 1.00 21.53 H new ATOM 0 HB2 LYS A 426 -2.066 5.202 3.483 1.00 53.21 H new ATOM 0 HB3 LYS A 426 -0.865 4.046 4.025 1.00 53.21 H new ATOM 0 HG2 LYS A 426 -0.210 6.002 5.710 1.00 42.14 H new ATOM 0 HG3 LYS A 426 -1.844 6.543 5.381 1.00 42.14 H new ATOM 0 HD2 LYS A 426 -2.566 4.101 5.897 1.00 64.21 H new ATOM 0 HD3 LYS A 426 -0.959 3.895 6.565 1.00 64.21 H new ATOM 0 HE2 LYS A 426 -3.070 5.891 7.463 1.00 62.31 H new ATOM 0 HE3 LYS A 426 -2.489 4.500 8.357 1.00 62.31 H new ATOM 0 HZ1 LYS A 426 -1.423 6.426 9.210 1.00 30.43 H new ATOM 0 HZ2 LYS A 426 -0.247 5.560 8.344 1.00 30.43 H new ATOM 0 HZ3 LYS A 426 -0.950 6.949 7.665 1.00 30.43 H new ATOM 204 N LEU A 427 1.425 3.993 2.423 1.00 41.55 N ATOM 205 CA LEU A 427 2.643 3.193 2.423 1.00 24.42 C ATOM 206 C LEU A 427 3.808 3.971 1.819 1.00 50.14 C ATOM 207 O LEU A 427 4.972 3.662 2.072 1.00 51.40 O ATOM 208 CB LEU A 427 2.424 1.894 1.645 1.00 63.10 C ATOM 209 CG LEU A 427 1.492 0.871 2.294 1.00 64.01 C ATOM 210 CD1 LEU A 427 1.872 0.652 3.751 1.00 43.23 C ATOM 211 CD2 LEU A 427 0.044 1.322 2.181 1.00 72.34 C ATOM 0 H LEU A 427 0.707 3.667 1.776 1.00 41.55 H new ATOM 0 HA LEU A 427 2.889 2.953 3.457 1.00 24.42 H new ATOM 0 HB2 LEU A 427 2.026 2.146 0.662 1.00 63.10 H new ATOM 0 HB3 LEU A 427 3.393 1.422 1.485 1.00 63.10 H new ATOM 0 HG LEU A 427 1.599 -0.076 1.765 1.00 64.01 H new ATOM 0 HD11 LEU A 427 1.198 -0.079 4.197 1.00 43.23 H new ATOM 0 HD12 LEU A 427 2.896 0.284 3.808 1.00 43.23 H new ATOM 0 HD13 LEU A 427 1.795 1.595 4.293 1.00 43.23 H new ATOM 0 HD21 LEU A 427 -0.605 0.582 2.648 1.00 72.34 H new ATOM 0 HD22 LEU A 427 -0.079 2.281 2.684 1.00 72.34 H new ATOM 0 HD23 LEU A 427 -0.223 1.427 1.130 1.00 72.34 H new ATOM 223 N ILE A 428 3.485 4.983 1.020 1.00 15.52 N ATOM 224 CA ILE A 428 4.503 5.808 0.383 1.00 10.14 C ATOM 225 C ILE A 428 4.641 7.153 1.089 1.00 44.15 C ATOM 226 O ILE A 428 5.688 7.798 1.018 1.00 34.51 O ATOM 227 CB ILE A 428 4.181 6.052 -1.103 1.00 23.24 C ATOM 228 CG1 ILE A 428 3.947 4.721 -1.822 1.00 21.03 C ATOM 229 CG2 ILE A 428 5.308 6.828 -1.769 1.00 13.40 C ATOM 230 CD1 ILE A 428 3.449 4.880 -3.241 1.00 22.30 C ATOM 0 H ILE A 428 2.526 5.251 0.799 1.00 15.52 H new ATOM 0 HA ILE A 428 5.444 5.262 0.458 1.00 10.14 H new ATOM 0 HB ILE A 428 3.269 6.645 -1.169 1.00 23.24 H new ATOM 0 HG12 ILE A 428 4.879 4.155 -1.834 1.00 21.03 H new ATOM 0 HG13 ILE A 428 3.224 4.134 -1.256 1.00 21.03 H new ATOM 0 HG21 ILE A 428 5.066 6.993 -2.819 1.00 13.40 H new ATOM 0 HG22 ILE A 428 5.432 7.789 -1.270 1.00 13.40 H new ATOM 0 HG23 ILE A 428 6.235 6.259 -1.696 1.00 13.40 H new ATOM 0 HD11 ILE A 428 3.305 3.897 -3.689 1.00 22.30 H new ATOM 0 HD12 ILE A 428 2.501 5.418 -3.236 1.00 22.30 H new ATOM 0 HD13 ILE A 428 4.181 5.440 -3.823 1.00 22.30 H new ATOM 242 N ALA A 429 3.579 7.570 1.770 1.00 5.01 N ATOM 243 CA ALA A 429 3.584 8.836 2.492 1.00 22.32 C ATOM 244 C ALA A 429 4.800 8.943 3.406 1.00 74.24 C ATOM 245 O ALA A 429 5.296 10.038 3.670 1.00 54.12 O ATOM 246 CB ALA A 429 2.301 8.989 3.297 1.00 65.10 C ATOM 0 H ALA A 429 2.704 7.050 1.837 1.00 5.01 H new ATOM 0 HA ALA A 429 3.640 9.642 1.761 1.00 22.32 H new ATOM 0 HB1 ALA A 429 2.318 9.939 3.831 1.00 65.10 H new ATOM 0 HB2 ALA A 429 1.444 8.967 2.624 1.00 65.10 H new ATOM 0 HB3 ALA A 429 2.221 8.171 4.013 1.00 65.10 H new ATOM 252 N ALA A 430 5.276 7.798 3.887 1.00 53.24 N ATOM 253 CA ALA A 430 6.435 7.764 4.770 1.00 51.14 C ATOM 254 C ALA A 430 7.395 6.650 4.371 1.00 23.32 C ATOM 255 O ALA A 430 7.756 5.806 5.190 1.00 33.53 O ATOM 256 CB ALA A 430 5.992 7.589 6.215 1.00 33.15 C ATOM 0 H ALA A 430 4.877 6.883 3.680 1.00 53.24 H new ATOM 0 HA ALA A 430 6.962 8.714 4.675 1.00 51.14 H new ATOM 0 HB1 ALA A 430 6.868 7.565 6.864 1.00 33.15 H new ATOM 0 HB2 ALA A 430 5.350 8.422 6.502 1.00 33.15 H new ATOM 0 HB3 ALA A 430 5.440 6.654 6.316 1.00 33.15 H new ATOM 262 N GLU A 431 7.807 6.654 3.107 1.00 71.24 N ATOM 263 CA GLU A 431 8.726 5.642 2.600 1.00 60.35 C ATOM 264 C GLU A 431 10.028 6.278 2.124 1.00 65.21 C ATOM 265 O GLU A 431 10.020 7.320 1.470 1.00 13.21 O ATOM 266 CB GLU A 431 8.079 4.862 1.454 1.00 60.54 C ATOM 267 CG GLU A 431 8.138 5.581 0.117 1.00 44.45 C ATOM 268 CD GLU A 431 7.497 4.787 -1.004 1.00 14.25 C ATOM 269 OE1 GLU A 431 6.827 3.775 -0.707 1.00 4.14 O ATOM 270 OE2 GLU A 431 7.665 5.176 -2.178 1.00 12.21 O ATOM 0 H GLU A 431 7.519 7.347 2.416 1.00 71.24 H new ATOM 0 HA GLU A 431 8.954 4.955 3.415 1.00 60.35 H new ATOM 0 HB2 GLU A 431 8.574 3.895 1.359 1.00 60.54 H new ATOM 0 HB3 GLU A 431 7.037 4.663 1.704 1.00 60.54 H new ATOM 0 HG2 GLU A 431 7.638 6.545 0.206 1.00 44.45 H new ATOM 0 HG3 GLU A 431 9.179 5.784 -0.136 1.00 44.45 H new ATOM 277 N ASN A 432 11.147 5.643 2.459 1.00 43.24 N ATOM 278 CA ASN A 432 12.459 6.147 2.066 1.00 0.23 C ATOM 279 C ASN A 432 13.466 5.008 1.947 1.00 71.12 C ATOM 280 O ASN A 432 14.375 4.862 2.764 1.00 24.11 O ATOM 281 CB ASN A 432 12.956 7.178 3.083 1.00 70.30 C ATOM 282 CG ASN A 432 13.720 8.313 2.428 1.00 51.22 C ATOM 283 OD1 ASN A 432 14.682 8.087 1.695 1.00 71.44 O ATOM 284 ND2 ASN A 432 13.292 9.543 2.692 1.00 65.54 N ATOM 0 H ASN A 432 11.172 4.779 3.001 1.00 43.24 H new ATOM 0 HA ASN A 432 12.361 6.624 1.091 1.00 0.23 H new ATOM 0 HB2 ASN A 432 12.105 7.584 3.630 1.00 70.30 H new ATOM 0 HB3 ASN A 432 13.598 6.685 3.813 1.00 70.30 H new ATOM 0 HD21 ASN A 432 13.766 10.347 2.281 1.00 65.54 H new ATOM 0 HD22 ASN A 432 12.490 9.683 3.306 1.00 65.54 H new ATOM 291 N PRO A 433 13.303 4.181 0.904 1.00 70.02 N ATOM 292 CA PRO A 433 14.189 3.041 0.651 1.00 52.11 C ATOM 293 C PRO A 433 15.583 3.475 0.213 1.00 42.45 C ATOM 294 O PRO A 433 16.586 3.019 0.759 1.00 2.21 O ATOM 295 CB PRO A 433 13.483 2.287 -0.480 1.00 5.11 C ATOM 296 CG PRO A 433 12.668 3.323 -1.174 1.00 1.12 C ATOM 297 CD PRO A 433 12.240 4.295 -0.110 1.00 5.42 C ATOM 0 HA PRO A 433 14.348 2.442 1.548 1.00 52.11 H new ATOM 0 HB2 PRO A 433 14.202 1.828 -1.159 1.00 5.11 H new ATOM 0 HB3 PRO A 433 12.856 1.485 -0.090 1.00 5.11 H new ATOM 0 HG2 PRO A 433 13.250 3.823 -1.948 1.00 1.12 H new ATOM 0 HG3 PRO A 433 11.803 2.875 -1.664 1.00 1.12 H new ATOM 0 HD2 PRO A 433 12.164 5.310 -0.500 1.00 5.42 H new ATOM 0 HD3 PRO A 433 11.264 4.037 0.301 1.00 5.42 H new ATOM 305 N ALA A 434 15.637 4.361 -0.777 1.00 64.13 N ATOM 306 CA ALA A 434 16.909 4.860 -1.287 1.00 0.01 C ATOM 307 C ALA A 434 17.622 3.797 -2.116 1.00 62.12 C ATOM 308 O ALA A 434 17.697 3.898 -3.341 1.00 72.22 O ATOM 309 CB ALA A 434 17.795 5.318 -0.138 1.00 50.40 C ATOM 0 H ALA A 434 14.815 4.748 -1.241 1.00 64.13 H new ATOM 0 HA ALA A 434 16.704 5.712 -1.935 1.00 0.01 H new ATOM 0 HB1 ALA A 434 18.741 5.688 -0.533 1.00 50.40 H new ATOM 0 HB2 ALA A 434 17.295 6.115 0.412 1.00 50.40 H new ATOM 0 HB3 ALA A 434 17.985 4.479 0.532 1.00 50.40 H new ATOM 315 N LYS A 435 18.146 2.779 -1.442 1.00 11.44 N ATOM 316 CA LYS A 435 18.853 1.697 -2.115 1.00 61.21 C ATOM 317 C LYS A 435 17.872 0.707 -2.734 1.00 53.34 C ATOM 318 O LYS A 435 17.845 0.499 -3.947 1.00 35.11 O ATOM 319 CB LYS A 435 19.774 0.971 -1.131 1.00 52.42 C ATOM 320 CG LYS A 435 21.237 1.349 -1.277 1.00 33.25 C ATOM 321 CD LYS A 435 22.062 0.846 -0.103 1.00 52.41 C ATOM 322 CE LYS A 435 22.498 1.989 0.801 1.00 2.24 C ATOM 323 NZ LYS A 435 21.615 2.122 1.993 1.00 72.43 N ATOM 0 H LYS A 435 18.094 2.681 -0.428 1.00 11.44 H new ATOM 0 HA LYS A 435 19.455 2.132 -2.913 1.00 61.21 H new ATOM 0 HB2 LYS A 435 19.450 1.191 -0.114 1.00 52.42 H new ATOM 0 HB3 LYS A 435 19.669 -0.105 -1.274 1.00 52.42 H new ATOM 0 HG2 LYS A 435 21.631 0.933 -2.204 1.00 33.25 H new ATOM 0 HG3 LYS A 435 21.328 2.433 -1.350 1.00 33.25 H new ATOM 0 HD2 LYS A 435 21.478 0.128 0.472 1.00 52.41 H new ATOM 0 HD3 LYS A 435 22.941 0.318 -0.474 1.00 52.41 H new ATOM 0 HE2 LYS A 435 23.525 1.823 1.127 1.00 2.24 H new ATOM 0 HE3 LYS A 435 22.489 2.922 0.237 1.00 2.24 H new ATOM 0 HZ1 LYS A 435 21.946 2.912 2.583 1.00 72.43 H new ATOM 0 HZ2 LYS A 435 20.639 2.306 1.683 1.00 72.43 H new ATOM 0 HZ3 LYS A 435 21.643 1.241 2.546 1.00 72.43 H new ATOM 337 N PRO A 436 17.043 0.084 -1.883 1.00 24.33 N ATOM 338 CA PRO A 436 16.043 -0.892 -2.324 1.00 32.41 C ATOM 339 C PRO A 436 14.906 -0.245 -3.109 1.00 21.35 C ATOM 340 O PRO A 436 14.862 0.976 -3.261 1.00 40.53 O ATOM 341 CB PRO A 436 15.520 -1.482 -1.012 1.00 52.21 C ATOM 342 CG PRO A 436 15.761 -0.419 0.003 1.00 53.11 C ATOM 343 CD PRO A 436 17.020 0.283 -0.424 1.00 54.25 C ATOM 0 HA PRO A 436 16.468 -1.633 -3.001 1.00 32.41 H new ATOM 0 HB2 PRO A 436 14.461 -1.729 -1.083 1.00 52.21 H new ATOM 0 HB3 PRO A 436 16.045 -2.402 -0.754 1.00 52.21 H new ATOM 0 HG2 PRO A 436 14.922 0.276 0.047 1.00 53.11 H new ATOM 0 HG3 PRO A 436 15.872 -0.848 0.999 1.00 53.11 H new ATOM 0 HD2 PRO A 436 16.998 1.341 -0.163 1.00 54.25 H new ATOM 0 HD3 PRO A 436 17.901 -0.145 0.054 1.00 54.25 H new ATOM 351 N LEU A 437 13.991 -1.069 -3.603 1.00 13.11 N ATOM 352 CA LEU A 437 12.852 -0.576 -4.372 1.00 21.43 C ATOM 353 C LEU A 437 11.685 -1.555 -4.305 1.00 21.02 C ATOM 354 O LEU A 437 10.918 -1.689 -5.259 1.00 65.50 O ATOM 355 CB LEU A 437 13.257 -0.346 -5.829 1.00 11.04 C ATOM 356 CG LEU A 437 14.114 -1.439 -6.468 1.00 2.21 C ATOM 357 CD1 LEU A 437 13.290 -2.696 -6.700 1.00 13.15 C ATOM 358 CD2 LEU A 437 14.718 -0.947 -7.775 1.00 2.02 C ATOM 0 H LEU A 437 14.014 -2.082 -3.486 1.00 13.11 H new ATOM 0 HA LEU A 437 12.533 0.371 -3.936 1.00 21.43 H new ATOM 0 HB2 LEU A 437 12.351 -0.229 -6.423 1.00 11.04 H new ATOM 0 HB3 LEU A 437 13.801 0.596 -5.889 1.00 11.04 H new ATOM 0 HG LEU A 437 14.927 -1.683 -5.784 1.00 2.21 H new ATOM 0 HD11 LEU A 437 13.917 -3.463 -7.155 1.00 13.15 H new ATOM 0 HD12 LEU A 437 12.906 -3.060 -5.747 1.00 13.15 H new ATOM 0 HD13 LEU A 437 12.456 -2.467 -7.364 1.00 13.15 H new ATOM 0 HD21 LEU A 437 15.325 -1.738 -8.216 1.00 2.02 H new ATOM 0 HD22 LEU A 437 13.919 -0.675 -8.465 1.00 2.02 H new ATOM 0 HD23 LEU A 437 15.343 -0.075 -7.582 1.00 2.02 H new ATOM 370 N SER A 438 11.554 -2.235 -3.171 1.00 30.24 N ATOM 371 CA SER A 438 10.480 -3.204 -2.979 1.00 64.34 C ATOM 372 C SER A 438 9.600 -2.812 -1.797 1.00 54.24 C ATOM 373 O SER A 438 9.956 -1.939 -1.005 1.00 23.03 O ATOM 374 CB SER A 438 11.059 -4.603 -2.757 1.00 42.24 C ATOM 375 OG SER A 438 10.319 -5.579 -3.468 1.00 21.33 O ATOM 0 H SER A 438 12.178 -2.133 -2.371 1.00 30.24 H new ATOM 0 HA SER A 438 9.866 -3.212 -3.880 1.00 64.34 H new ATOM 0 HB2 SER A 438 12.100 -4.625 -3.080 1.00 42.24 H new ATOM 0 HB3 SER A 438 11.050 -4.839 -1.693 1.00 42.24 H new ATOM 0 HG SER A 438 10.710 -6.464 -3.311 1.00 21.33 H new ATOM 381 N ASP A 439 8.447 -3.462 -1.684 1.00 61.31 N ATOM 382 CA ASP A 439 7.514 -3.185 -0.599 1.00 45.40 C ATOM 383 C ASP A 439 7.945 -3.890 0.683 1.00 63.51 C ATOM 384 O ASP A 439 7.193 -4.680 1.251 1.00 34.05 O ATOM 385 CB ASP A 439 6.102 -3.623 -0.986 1.00 52.34 C ATOM 386 CG ASP A 439 5.539 -2.811 -2.138 1.00 35.24 C ATOM 387 OD1 ASP A 439 5.934 -1.636 -2.284 1.00 43.32 O ATOM 388 OD2 ASP A 439 4.704 -3.353 -2.892 1.00 43.20 O ATOM 0 H ASP A 439 8.136 -4.186 -2.332 1.00 61.31 H new ATOM 0 HA ASP A 439 7.515 -2.110 -0.419 1.00 45.40 H new ATOM 0 HB2 ASP A 439 6.114 -4.678 -1.261 1.00 52.34 H new ATOM 0 HB3 ASP A 439 5.445 -3.526 -0.122 1.00 52.34 H new ATOM 393 N SER A 440 9.163 -3.600 1.131 1.00 33.14 N ATOM 394 CA SER A 440 9.696 -4.211 2.344 1.00 65.14 C ATOM 395 C SER A 440 9.572 -3.261 3.530 1.00 13.41 C ATOM 396 O SER A 440 9.232 -3.676 4.640 1.00 65.33 O ATOM 397 CB SER A 440 11.162 -4.601 2.140 1.00 34.03 C ATOM 398 OG SER A 440 11.343 -5.280 0.909 1.00 43.23 O ATOM 0 H SER A 440 9.799 -2.947 0.673 1.00 33.14 H new ATOM 0 HA SER A 440 9.114 -5.108 2.557 1.00 65.14 H new ATOM 0 HB2 SER A 440 11.786 -3.707 2.161 1.00 34.03 H new ATOM 0 HB3 SER A 440 11.490 -5.238 2.962 1.00 34.03 H new ATOM 0 HG SER A 440 12.288 -5.517 0.802 1.00 43.23 H new ATOM 404 N LYS A 441 9.847 -1.984 3.290 1.00 1.30 N ATOM 405 CA LYS A 441 9.765 -0.973 4.337 1.00 24.34 C ATOM 406 C LYS A 441 8.315 -0.711 4.729 1.00 71.13 C ATOM 407 O LYS A 441 7.937 -0.861 5.892 1.00 43.44 O ATOM 408 CB LYS A 441 10.423 0.328 3.871 1.00 55.43 C ATOM 409 CG LYS A 441 11.567 0.784 4.760 1.00 44.32 C ATOM 410 CD LYS A 441 11.078 1.168 6.146 1.00 3.51 C ATOM 411 CE LYS A 441 11.810 2.392 6.676 1.00 32.32 C ATOM 412 NZ LYS A 441 11.388 2.733 8.064 1.00 62.44 N ATOM 0 H LYS A 441 10.129 -1.624 2.378 1.00 1.30 H new ATOM 0 HA LYS A 441 10.296 -1.348 5.212 1.00 24.34 H new ATOM 0 HB2 LYS A 441 10.795 0.194 2.855 1.00 55.43 H new ATOM 0 HB3 LYS A 441 9.668 1.114 3.833 1.00 55.43 H new ATOM 0 HG2 LYS A 441 12.305 -0.014 4.842 1.00 44.32 H new ATOM 0 HG3 LYS A 441 12.068 1.636 4.301 1.00 44.32 H new ATOM 0 HD2 LYS A 441 10.007 1.369 6.112 1.00 3.51 H new ATOM 0 HD3 LYS A 441 11.224 0.331 6.829 1.00 3.51 H new ATOM 0 HE2 LYS A 441 12.884 2.209 6.658 1.00 32.32 H new ATOM 0 HE3 LYS A 441 11.620 3.241 6.020 1.00 32.32 H new ATOM 0 HZ1 LYS A 441 11.957 3.530 8.414 1.00 62.44 H new ATOM 0 HZ2 LYS A 441 10.382 2.998 8.066 1.00 62.44 H new ATOM 0 HZ3 LYS A 441 11.530 1.909 8.682 1.00 62.44 H new ATOM 426 N LEU A 442 7.505 -0.320 3.751 1.00 71.53 N ATOM 427 CA LEU A 442 6.093 -0.038 3.993 1.00 63.43 C ATOM 428 C LEU A 442 5.429 -1.190 4.740 1.00 24.33 C ATOM 429 O LEU A 442 4.583 -0.974 5.608 1.00 13.13 O ATOM 430 CB LEU A 442 5.369 0.211 2.668 1.00 33.35 C ATOM 431 CG LEU A 442 5.810 -0.657 1.488 1.00 1.11 C ATOM 432 CD1 LEU A 442 4.600 -1.221 0.759 1.00 65.33 C ATOM 433 CD2 LEU A 442 6.685 0.143 0.535 1.00 3.23 C ATOM 0 H LEU A 442 7.801 -0.191 2.783 1.00 71.53 H new ATOM 0 HA LEU A 442 6.026 0.858 4.611 1.00 63.43 H new ATOM 0 HB2 LEU A 442 4.301 0.059 2.826 1.00 33.35 H new ATOM 0 HB3 LEU A 442 5.504 1.257 2.394 1.00 33.35 H new ATOM 0 HG LEU A 442 6.397 -1.491 1.874 1.00 1.11 H new ATOM 0 HD11 LEU A 442 4.933 -1.836 -0.077 1.00 65.33 H new ATOM 0 HD12 LEU A 442 4.013 -1.830 1.446 1.00 65.33 H new ATOM 0 HD13 LEU A 442 3.986 -0.402 0.385 1.00 65.33 H new ATOM 0 HD21 LEU A 442 6.989 -0.491 -0.298 1.00 3.23 H new ATOM 0 HD22 LEU A 442 6.124 0.997 0.156 1.00 3.23 H new ATOM 0 HD23 LEU A 442 7.570 0.497 1.064 1.00 3.23 H new ATOM 445 N THR A 443 5.820 -2.415 4.400 1.00 44.42 N ATOM 446 CA THR A 443 5.263 -3.600 5.039 1.00 45.54 C ATOM 447 C THR A 443 5.960 -3.888 6.364 1.00 1.02 C ATOM 448 O THR A 443 5.379 -4.498 7.262 1.00 11.42 O ATOM 449 CB THR A 443 5.383 -4.837 4.130 1.00 62.00 C ATOM 450 OG1 THR A 443 6.761 -5.177 3.945 1.00 32.54 O ATOM 451 CG2 THR A 443 4.733 -4.580 2.779 1.00 53.22 C ATOM 0 H THR A 443 6.521 -2.611 3.685 1.00 44.42 H new ATOM 0 HA THR A 443 4.208 -3.394 5.223 1.00 45.54 H new ATOM 0 HB THR A 443 4.866 -5.667 4.612 1.00 62.00 H new ATOM 0 HG1 THR A 443 7.002 -5.064 3.002 1.00 32.54 H new ATOM 0 HG21 THR A 443 4.830 -5.468 2.154 1.00 53.22 H new ATOM 0 HG22 THR A 443 3.677 -4.350 2.921 1.00 53.22 H new ATOM 0 HG23 THR A 443 5.225 -3.738 2.293 1.00 53.22 H new ATOM 459 N SER A 444 7.208 -3.444 6.480 1.00 32.12 N ATOM 460 CA SER A 444 7.984 -3.658 7.696 1.00 61.23 C ATOM 461 C SER A 444 7.366 -2.913 8.875 1.00 71.04 C ATOM 462 O SER A 444 7.076 -3.503 9.915 1.00 34.35 O ATOM 463 CB SER A 444 9.430 -3.198 7.490 1.00 75.41 C ATOM 464 OG SER A 444 10.088 -3.015 8.731 1.00 51.33 O ATOM 0 H SER A 444 7.703 -2.935 5.748 1.00 32.12 H new ATOM 0 HA SER A 444 7.976 -4.725 7.919 1.00 61.23 H new ATOM 0 HB2 SER A 444 9.968 -3.935 6.895 1.00 75.41 H new ATOM 0 HB3 SER A 444 9.441 -2.264 6.928 1.00 75.41 H new ATOM 0 HG SER A 444 11.010 -2.723 8.572 1.00 51.33 H new ATOM 470 N LEU A 445 7.165 -1.611 8.703 1.00 72.02 N ATOM 471 CA LEU A 445 6.579 -0.782 9.751 1.00 22.45 C ATOM 472 C LEU A 445 5.183 -1.274 10.117 1.00 11.15 C ATOM 473 O LEU A 445 4.749 -1.149 11.265 1.00 44.15 O ATOM 474 CB LEU A 445 6.516 0.678 9.300 1.00 62.52 C ATOM 475 CG LEU A 445 7.564 1.614 9.905 1.00 14.13 C ATOM 476 CD1 LEU A 445 7.855 2.770 8.962 1.00 43.31 C ATOM 477 CD2 LEU A 445 7.097 2.131 11.259 1.00 65.14 C ATOM 0 H LEU A 445 7.399 -1.107 7.848 1.00 72.02 H new ATOM 0 HA LEU A 445 7.213 -0.855 10.634 1.00 22.45 H new ATOM 0 HB2 LEU A 445 6.616 0.707 8.215 1.00 62.52 H new ATOM 0 HB3 LEU A 445 5.527 1.069 9.540 1.00 62.52 H new ATOM 0 HG LEU A 445 8.486 1.051 10.051 1.00 14.13 H new ATOM 0 HD11 LEU A 445 8.603 3.425 9.409 1.00 43.31 H new ATOM 0 HD12 LEU A 445 8.232 2.382 8.016 1.00 43.31 H new ATOM 0 HD13 LEU A 445 6.939 3.333 8.784 1.00 43.31 H new ATOM 0 HD21 LEU A 445 7.854 2.795 11.676 1.00 65.14 H new ATOM 0 HD22 LEU A 445 6.162 2.678 11.137 1.00 65.14 H new ATOM 0 HD23 LEU A 445 6.940 1.290 11.935 1.00 65.14 H new ATOM 489 N LEU A 446 4.482 -1.835 9.138 1.00 42.34 N ATOM 490 CA LEU A 446 3.135 -2.347 9.357 1.00 32.21 C ATOM 491 C LEU A 446 3.176 -3.726 10.006 1.00 35.45 C ATOM 492 O LEU A 446 2.243 -4.123 10.704 1.00 32.35 O ATOM 493 CB LEU A 446 2.372 -2.417 8.033 1.00 24.20 C ATOM 494 CG LEU A 446 1.439 -1.243 7.733 1.00 22.50 C ATOM 495 CD1 LEU A 446 0.196 -1.312 8.607 1.00 23.42 C ATOM 496 CD2 LEU A 446 2.163 0.080 7.936 1.00 71.44 C ATOM 0 H LEU A 446 4.825 -1.947 8.184 1.00 42.34 H new ATOM 0 HA LEU A 446 2.619 -1.663 10.031 1.00 32.21 H new ATOM 0 HB2 LEU A 446 3.097 -2.495 7.223 1.00 24.20 H new ATOM 0 HB3 LEU A 446 1.783 -3.334 8.024 1.00 24.20 H new ATOM 0 HG LEU A 446 1.129 -1.308 6.690 1.00 22.50 H new ATOM 0 HD11 LEU A 446 -0.456 -0.469 8.380 1.00 23.42 H new ATOM 0 HD12 LEU A 446 -0.335 -2.244 8.412 1.00 23.42 H new ATOM 0 HD13 LEU A 446 0.487 -1.273 9.657 1.00 23.42 H new ATOM 0 HD21 LEU A 446 1.483 0.904 7.718 1.00 71.44 H new ATOM 0 HD22 LEU A 446 2.503 0.154 8.969 1.00 71.44 H new ATOM 0 HD23 LEU A 446 3.022 0.131 7.267 1.00 71.44 H new ATOM 508 N SER A 447 4.265 -4.452 9.773 1.00 71.42 N ATOM 509 CA SER A 447 4.428 -5.788 10.334 1.00 32.45 C ATOM 510 C SER A 447 4.972 -5.717 11.758 1.00 70.30 C ATOM 511 O SER A 447 4.808 -6.650 12.543 1.00 13.02 O ATOM 512 CB SER A 447 5.365 -6.622 9.457 1.00 2.44 C ATOM 513 OG SER A 447 4.642 -7.322 8.460 1.00 25.52 O ATOM 0 H SER A 447 5.048 -4.137 9.199 1.00 71.42 H new ATOM 0 HA SER A 447 3.449 -6.266 10.362 1.00 32.45 H new ATOM 0 HB2 SER A 447 6.103 -5.972 8.987 1.00 2.44 H new ATOM 0 HB3 SER A 447 5.914 -7.330 10.077 1.00 2.44 H new ATOM 0 HG SER A 447 3.682 -7.169 8.584 1.00 25.52 H new ATOM 519 N GLU A 448 5.622 -4.604 12.081 1.00 63.31 N ATOM 520 CA GLU A 448 6.193 -4.411 13.410 1.00 75.34 C ATOM 521 C GLU A 448 5.095 -4.356 14.469 1.00 22.44 C ATOM 522 O GLU A 448 5.367 -4.472 15.664 1.00 23.32 O ATOM 523 CB GLU A 448 7.022 -3.127 13.451 1.00 41.31 C ATOM 524 CG GLU A 448 8.463 -3.318 13.009 1.00 62.11 C ATOM 525 CD GLU A 448 9.376 -3.717 14.151 1.00 51.40 C ATOM 526 OE1 GLU A 448 8.869 -3.912 15.276 1.00 64.42 O ATOM 527 OE2 GLU A 448 10.598 -3.835 13.920 1.00 14.53 O ATOM 0 H GLU A 448 5.767 -3.822 11.442 1.00 63.31 H new ATOM 0 HA GLU A 448 6.842 -5.260 13.627 1.00 75.34 H new ATOM 0 HB2 GLU A 448 6.551 -2.380 12.812 1.00 41.31 H new ATOM 0 HB3 GLU A 448 7.012 -2.730 14.466 1.00 41.31 H new ATOM 0 HG2 GLU A 448 8.503 -4.083 12.233 1.00 62.11 H new ATOM 0 HG3 GLU A 448 8.828 -2.393 12.563 1.00 62.11 H new ATOM 534 N GLN A 449 3.857 -4.179 14.022 1.00 43.14 N ATOM 535 CA GLN A 449 2.720 -4.108 14.931 1.00 10.50 C ATOM 536 C GLN A 449 1.870 -5.371 14.841 1.00 43.41 C ATOM 537 O GLN A 449 1.402 -5.890 15.854 1.00 70.21 O ATOM 538 CB GLN A 449 1.864 -2.879 14.616 1.00 51.13 C ATOM 539 CG GLN A 449 2.479 -1.961 13.573 1.00 42.14 C ATOM 540 CD GLN A 449 1.752 -0.635 13.460 1.00 13.44 C ATOM 541 OE1 GLN A 449 1.877 0.230 14.329 1.00 72.12 O ATOM 542 NE2 GLN A 449 0.987 -0.468 12.389 1.00 15.32 N ATOM 0 H GLN A 449 3.615 -4.082 13.036 1.00 43.14 H new ATOM 0 HA GLN A 449 3.105 -4.024 15.947 1.00 10.50 H new ATOM 0 HB2 GLN A 449 0.885 -3.208 14.267 1.00 51.13 H new ATOM 0 HB3 GLN A 449 1.701 -2.315 15.534 1.00 51.13 H new ATOM 0 HG2 GLN A 449 3.523 -1.778 13.826 1.00 42.14 H new ATOM 0 HG3 GLN A 449 2.469 -2.460 12.604 1.00 42.14 H new ATOM 0 HE21 GLN A 449 0.913 -1.211 11.694 1.00 15.32 H new ATOM 0 HE22 GLN A 449 0.473 0.404 12.260 1.00 15.32 H new ATOM 551 N GLY A 450 1.674 -5.861 13.620 1.00 41.32 N ATOM 552 CA GLY A 450 0.880 -7.059 13.420 1.00 31.13 C ATOM 553 C GLY A 450 0.210 -7.091 12.062 1.00 41.55 C ATOM 554 O GLY A 450 -0.284 -8.132 11.630 1.00 50.14 O ATOM 0 H GLY A 450 2.051 -5.449 12.766 1.00 41.32 H new ATOM 0 HA2 GLY A 450 1.518 -7.936 13.527 1.00 31.13 H new ATOM 0 HA3 GLY A 450 0.119 -7.121 14.198 1.00 31.13 H new ATOM 558 N ILE A 451 0.190 -5.946 11.386 1.00 4.22 N ATOM 559 CA ILE A 451 -0.426 -5.847 10.069 1.00 24.03 C ATOM 560 C ILE A 451 0.377 -6.619 9.028 1.00 25.33 C ATOM 561 O ILE A 451 1.576 -6.842 9.193 1.00 1.53 O ATOM 562 CB ILE A 451 -0.554 -4.380 9.617 1.00 54.02 C ATOM 563 CG1 ILE A 451 -1.065 -3.511 10.769 1.00 71.40 C ATOM 564 CG2 ILE A 451 -1.482 -4.276 8.416 1.00 73.31 C ATOM 565 CD1 ILE A 451 -2.361 -4.006 11.370 1.00 73.21 C ATOM 0 H ILE A 451 0.594 -5.074 11.729 1.00 4.22 H new ATOM 0 HA ILE A 451 -1.422 -6.282 10.152 1.00 24.03 H new ATOM 0 HB ILE A 451 0.431 -4.018 9.323 1.00 54.02 H new ATOM 0 HG12 ILE A 451 -0.304 -3.471 11.549 1.00 71.40 H new ATOM 0 HG13 ILE A 451 -1.207 -2.492 10.409 1.00 71.40 H new ATOM 0 HG21 ILE A 451 -1.563 -3.234 8.108 1.00 73.31 H new ATOM 0 HG22 ILE A 451 -1.080 -4.868 7.593 1.00 73.31 H new ATOM 0 HG23 ILE A 451 -2.469 -4.652 8.685 1.00 73.31 H new ATOM 0 HD11 ILE A 451 -2.663 -3.342 12.180 1.00 73.21 H new ATOM 0 HD12 ILE A 451 -3.136 -4.019 10.603 1.00 73.21 H new ATOM 0 HD13 ILE A 451 -2.220 -5.014 11.760 1.00 73.21 H new ATOM 577 N MET A 452 -0.292 -7.024 7.954 1.00 74.12 N ATOM 578 CA MET A 452 0.359 -7.769 6.883 1.00 20.22 C ATOM 579 C MET A 452 -0.532 -7.838 5.647 1.00 12.32 C ATOM 580 O MET A 452 -1.085 -8.890 5.326 1.00 23.11 O ATOM 581 CB MET A 452 0.707 -9.183 7.355 1.00 53.12 C ATOM 582 CG MET A 452 -0.472 -9.929 7.958 1.00 32.21 C ATOM 583 SD MET A 452 -0.135 -10.531 9.624 1.00 1.30 S ATOM 584 CE MET A 452 -0.907 -12.145 9.564 1.00 12.04 C ATOM 0 H MET A 452 -1.285 -6.849 7.802 1.00 74.12 H new ATOM 0 HA MET A 452 1.277 -7.245 6.617 1.00 20.22 H new ATOM 0 HB2 MET A 452 1.095 -9.754 6.511 1.00 53.12 H new ATOM 0 HB3 MET A 452 1.506 -9.124 8.094 1.00 53.12 H new ATOM 0 HG2 MET A 452 -1.340 -9.270 7.983 1.00 32.21 H new ATOM 0 HG3 MET A 452 -0.730 -10.772 7.317 1.00 32.21 H new ATOM 0 HE1 MET A 452 -0.783 -12.644 10.525 1.00 12.04 H new ATOM 0 HE2 MET A 452 -1.969 -12.032 9.348 1.00 12.04 H new ATOM 0 HE3 MET A 452 -0.439 -12.743 8.782 1.00 12.04 H new ATOM 594 N VAL A 453 -0.669 -6.710 4.958 1.00 12.01 N ATOM 595 CA VAL A 453 -1.494 -6.642 3.757 1.00 25.53 C ATOM 596 C VAL A 453 -0.773 -5.897 2.639 1.00 55.41 C ATOM 597 O VAL A 453 -0.799 -6.317 1.483 1.00 75.51 O ATOM 598 CB VAL A 453 -2.839 -5.949 4.039 1.00 51.04 C ATOM 599 CG1 VAL A 453 -3.841 -6.940 4.612 1.00 63.11 C ATOM 600 CG2 VAL A 453 -2.644 -4.770 4.980 1.00 14.32 C ATOM 0 H VAL A 453 -0.219 -5.830 5.211 1.00 12.01 H new ATOM 0 HA VAL A 453 -1.683 -7.668 3.443 1.00 25.53 H new ATOM 0 HB VAL A 453 -3.237 -5.570 3.098 1.00 51.04 H new ATOM 0 HG11 VAL A 453 -4.786 -6.432 4.805 1.00 63.11 H new ATOM 0 HG12 VAL A 453 -4.003 -7.748 3.898 1.00 63.11 H new ATOM 0 HG13 VAL A 453 -3.453 -7.352 5.544 1.00 63.11 H new ATOM 0 HG21 VAL A 453 -3.605 -4.292 5.168 1.00 14.32 H new ATOM 0 HG22 VAL A 453 -2.223 -5.122 5.922 1.00 14.32 H new ATOM 0 HG23 VAL A 453 -1.964 -4.050 4.525 1.00 14.32 H new ATOM 610 N ALA A 454 -0.133 -4.787 2.991 1.00 13.35 N ATOM 611 CA ALA A 454 0.595 -3.984 2.018 1.00 65.31 C ATOM 612 C ALA A 454 1.527 -4.851 1.177 1.00 51.22 C ATOM 613 O ALA A 454 1.842 -4.515 0.035 1.00 55.21 O ATOM 614 CB ALA A 454 1.383 -2.889 2.721 1.00 45.13 C ATOM 0 H ALA A 454 -0.104 -4.424 3.944 1.00 13.35 H new ATOM 0 HA ALA A 454 -0.132 -3.522 1.349 1.00 65.31 H new ATOM 0 HB1 ALA A 454 1.922 -2.297 1.982 1.00 45.13 H new ATOM 0 HB2 ALA A 454 0.698 -2.245 3.273 1.00 45.13 H new ATOM 0 HB3 ALA A 454 2.094 -3.340 3.413 1.00 45.13 H new ATOM 620 N ARG A 455 1.966 -5.967 1.749 1.00 14.34 N ATOM 621 CA ARG A 455 2.863 -6.881 1.054 1.00 73.51 C ATOM 622 C ARG A 455 2.301 -7.258 -0.315 1.00 14.23 C ATOM 623 O ARG A 455 2.874 -6.916 -1.348 1.00 63.23 O ATOM 624 CB ARG A 455 3.089 -8.143 1.888 1.00 14.32 C ATOM 625 CG ARG A 455 4.550 -8.402 2.218 1.00 14.22 C ATOM 626 CD ARG A 455 4.785 -9.853 2.607 1.00 74.04 C ATOM 627 NE ARG A 455 4.861 -10.026 4.055 1.00 13.22 N ATOM 628 CZ ARG A 455 4.931 -11.211 4.651 1.00 54.53 C ATOM 629 NH1 ARG A 455 4.934 -12.322 3.927 1.00 11.31 N ATOM 630 NH2 ARG A 455 4.996 -11.286 5.974 1.00 21.31 N ATOM 0 H ARG A 455 1.715 -6.260 2.693 1.00 14.34 H new ATOM 0 HA ARG A 455 3.817 -6.374 0.910 1.00 73.51 H new ATOM 0 HB2 ARG A 455 2.525 -8.060 2.817 1.00 14.32 H new ATOM 0 HB3 ARG A 455 2.690 -9.001 1.348 1.00 14.32 H new ATOM 0 HG2 ARG A 455 5.169 -8.150 1.357 1.00 14.22 H new ATOM 0 HG3 ARG A 455 4.861 -7.750 3.035 1.00 14.22 H new ATOM 0 HD2 ARG A 455 3.979 -10.470 2.210 1.00 74.04 H new ATOM 0 HD3 ARG A 455 5.710 -10.205 2.151 1.00 74.04 H new ATOM 0 HE ARG A 455 4.860 -9.191 4.641 1.00 13.22 H new ATOM 0 HH11 ARG A 455 4.882 -12.268 2.910 1.00 11.31 H new ATOM 0 HH12 ARG A 455 4.988 -13.231 4.387 1.00 11.31 H new ATOM 0 HH21 ARG A 455 4.992 -10.433 6.534 1.00 21.31 H new ATOM 0 HH22 ARG A 455 5.050 -12.196 6.431 1.00 21.31 H new ATOM 644 N ARG A 456 1.175 -7.966 -0.312 1.00 4.20 N ATOM 645 CA ARG A 456 0.536 -8.390 -1.552 1.00 21.44 C ATOM 646 C ARG A 456 -0.382 -7.298 -2.092 1.00 21.14 C ATOM 647 O ARG A 456 -0.649 -7.233 -3.292 1.00 3.01 O ATOM 648 CB ARG A 456 -0.260 -9.676 -1.326 1.00 13.45 C ATOM 649 CG ARG A 456 -1.663 -9.438 -0.794 1.00 1.55 C ATOM 650 CD ARG A 456 -2.673 -9.308 -1.923 1.00 5.24 C ATOM 651 NE ARG A 456 -3.446 -10.533 -2.110 1.00 22.25 N ATOM 652 CZ ARG A 456 -4.493 -10.625 -2.923 1.00 4.34 C ATOM 653 NH1 ARG A 456 -4.890 -9.569 -3.620 1.00 65.20 N ATOM 654 NH2 ARG A 456 -5.145 -11.774 -3.039 1.00 53.52 N ATOM 0 H ARG A 456 0.687 -8.258 0.535 1.00 4.20 H new ATOM 0 HA ARG A 456 1.317 -8.579 -2.288 1.00 21.44 H new ATOM 0 HB2 ARG A 456 -0.325 -10.223 -2.267 1.00 13.45 H new ATOM 0 HB3 ARG A 456 0.282 -10.311 -0.625 1.00 13.45 H new ATOM 0 HG2 ARG A 456 -1.950 -10.262 -0.141 1.00 1.55 H new ATOM 0 HG3 ARG A 456 -1.675 -8.532 -0.188 1.00 1.55 H new ATOM 0 HD2 ARG A 456 -3.350 -8.481 -1.710 1.00 5.24 H new ATOM 0 HD3 ARG A 456 -2.152 -9.063 -2.849 1.00 5.24 H new ATOM 0 HE ARG A 456 -3.167 -11.364 -1.588 1.00 22.25 H new ATOM 0 HH11 ARG A 456 -4.391 -8.683 -3.533 1.00 65.20 H new ATOM 0 HH12 ARG A 456 -5.694 -9.642 -4.243 1.00 65.20 H new ATOM 0 HH21 ARG A 456 -4.843 -12.588 -2.504 1.00 53.52 H new ATOM 0 HH22 ARG A 456 -5.949 -11.844 -3.663 1.00 53.52 H new ATOM 668 N THR A 457 -0.866 -6.442 -1.197 1.00 23.45 N ATOM 669 CA THR A 457 -1.756 -5.355 -1.582 1.00 43.53 C ATOM 670 C THR A 457 -1.026 -4.322 -2.434 1.00 62.00 C ATOM 671 O THR A 457 -1.367 -4.110 -3.597 1.00 14.30 O ATOM 672 CB THR A 457 -2.354 -4.654 -0.347 1.00 71.43 C ATOM 673 OG1 THR A 457 -3.300 -5.517 0.295 1.00 60.14 O ATOM 674 CG2 THR A 457 -3.035 -3.352 -0.741 1.00 65.20 C ATOM 0 H THR A 457 -0.656 -6.481 -0.200 1.00 23.45 H new ATOM 0 HA THR A 457 -2.563 -5.799 -2.165 1.00 43.53 H new ATOM 0 HB THR A 457 -1.542 -4.427 0.344 1.00 71.43 H new ATOM 0 HG1 THR A 457 -2.834 -6.093 0.936 1.00 60.14 H new ATOM 0 HG21 THR A 457 -3.450 -2.875 0.147 1.00 65.20 H new ATOM 0 HG22 THR A 457 -2.307 -2.686 -1.204 1.00 65.20 H new ATOM 0 HG23 THR A 457 -3.837 -3.561 -1.449 1.00 65.20 H new ATOM 682 N VAL A 458 -0.019 -3.683 -1.847 1.00 64.53 N ATOM 683 CA VAL A 458 0.762 -2.674 -2.553 1.00 73.03 C ATOM 684 C VAL A 458 1.256 -3.202 -3.896 1.00 23.10 C ATOM 685 O VAL A 458 1.120 -2.538 -4.923 1.00 32.03 O ATOM 686 CB VAL A 458 1.970 -2.213 -1.718 1.00 42.20 C ATOM 687 CG1 VAL A 458 2.781 -1.175 -2.480 1.00 32.14 C ATOM 688 CG2 VAL A 458 1.512 -1.664 -0.376 1.00 52.35 C ATOM 0 H VAL A 458 0.275 -3.846 -0.884 1.00 64.53 H new ATOM 0 HA VAL A 458 0.102 -1.823 -2.721 1.00 73.03 H new ATOM 0 HB VAL A 458 2.611 -3.075 -1.532 1.00 42.20 H new ATOM 0 HG11 VAL A 458 3.631 -0.861 -1.874 1.00 32.14 H new ATOM 0 HG12 VAL A 458 3.141 -1.608 -3.413 1.00 32.14 H new ATOM 0 HG13 VAL A 458 2.153 -0.312 -2.699 1.00 32.14 H new ATOM 0 HG21 VAL A 458 2.379 -1.343 0.201 1.00 52.35 H new ATOM 0 HG22 VAL A 458 0.849 -0.814 -0.538 1.00 52.35 H new ATOM 0 HG23 VAL A 458 0.979 -2.441 0.172 1.00 52.35 H new ATOM 698 N ALA A 459 1.830 -4.400 -3.879 1.00 62.01 N ATOM 699 CA ALA A 459 2.343 -5.018 -5.094 1.00 60.43 C ATOM 700 C ALA A 459 1.229 -5.235 -6.113 1.00 3.43 C ATOM 701 O ALA A 459 1.458 -5.178 -7.321 1.00 31.22 O ATOM 702 CB ALA A 459 3.026 -6.338 -4.769 1.00 12.13 C ATOM 0 H ALA A 459 1.951 -4.962 -3.036 1.00 62.01 H new ATOM 0 HA ALA A 459 3.076 -4.341 -5.533 1.00 60.43 H new ATOM 0 HB1 ALA A 459 3.404 -6.788 -5.687 1.00 12.13 H new ATOM 0 HB2 ALA A 459 3.855 -6.160 -4.084 1.00 12.13 H new ATOM 0 HB3 ALA A 459 2.309 -7.014 -4.303 1.00 12.13 H new ATOM 708 N LYS A 460 0.021 -5.482 -5.617 1.00 74.52 N ATOM 709 CA LYS A 460 -1.130 -5.706 -6.483 1.00 73.53 C ATOM 710 C LYS A 460 -1.465 -4.450 -7.280 1.00 72.14 C ATOM 711 O LYS A 460 -1.676 -4.510 -8.492 1.00 45.14 O ATOM 712 CB LYS A 460 -2.343 -6.135 -5.654 1.00 42.21 C ATOM 713 CG LYS A 460 -2.780 -7.568 -5.909 1.00 45.23 C ATOM 714 CD LYS A 460 -3.340 -7.737 -7.311 1.00 31.32 C ATOM 715 CE LYS A 460 -3.877 -9.144 -7.529 1.00 73.35 C ATOM 716 NZ LYS A 460 -4.451 -9.313 -8.893 1.00 41.44 N ATOM 0 H LYS A 460 -0.186 -5.532 -4.619 1.00 74.52 H new ATOM 0 HA LYS A 460 -0.876 -6.502 -7.183 1.00 73.53 H new ATOM 0 HB2 LYS A 460 -2.109 -6.019 -4.596 1.00 42.21 H new ATOM 0 HB3 LYS A 460 -3.176 -5.466 -5.871 1.00 42.21 H new ATOM 0 HG2 LYS A 460 -1.932 -8.238 -5.771 1.00 45.23 H new ATOM 0 HG3 LYS A 460 -3.535 -7.855 -5.177 1.00 45.23 H new ATOM 0 HD2 LYS A 460 -4.137 -7.012 -7.476 1.00 31.32 H new ATOM 0 HD3 LYS A 460 -2.561 -7.526 -8.043 1.00 31.32 H new ATOM 0 HE2 LYS A 460 -3.074 -9.866 -7.381 1.00 73.35 H new ATOM 0 HE3 LYS A 460 -4.642 -9.360 -6.783 1.00 73.35 H new ATOM 0 HZ1 LYS A 460 -4.806 -10.284 -9.002 1.00 41.44 H new ATOM 0 HZ2 LYS A 460 -5.234 -8.641 -9.026 1.00 41.44 H new ATOM 0 HZ3 LYS A 460 -3.715 -9.132 -9.605 1.00 41.44 H new ATOM 730 N TYR A 461 -1.510 -3.314 -6.593 1.00 21.31 N ATOM 731 CA TYR A 461 -1.820 -2.043 -7.237 1.00 21.11 C ATOM 732 C TYR A 461 -0.598 -1.488 -7.965 1.00 34.45 C ATOM 733 O TYR A 461 -0.724 -0.690 -8.892 1.00 42.43 O ATOM 734 CB TYR A 461 -2.314 -1.030 -6.203 1.00 71.50 C ATOM 735 CG TYR A 461 -3.681 -1.355 -5.644 1.00 12.23 C ATOM 736 CD1 TYR A 461 -4.832 -1.100 -6.378 1.00 40.43 C ATOM 737 CD2 TYR A 461 -3.822 -1.916 -4.380 1.00 5.23 C ATOM 738 CE1 TYR A 461 -6.083 -1.394 -5.871 1.00 14.11 C ATOM 739 CE2 TYR A 461 -5.067 -2.214 -3.865 1.00 74.12 C ATOM 740 CZ TYR A 461 -6.196 -1.952 -4.614 1.00 44.41 C ATOM 741 OH TYR A 461 -7.439 -2.246 -4.105 1.00 11.41 O ATOM 0 H TYR A 461 -1.336 -3.247 -5.590 1.00 21.31 H new ATOM 0 HA TYR A 461 -2.608 -2.219 -7.969 1.00 21.11 H new ATOM 0 HB2 TYR A 461 -1.597 -0.981 -5.383 1.00 71.50 H new ATOM 0 HB3 TYR A 461 -2.343 -0.041 -6.660 1.00 71.50 H new ATOM 0 HD1 TYR A 461 -4.748 -0.664 -7.363 1.00 40.43 H new ATOM 0 HD2 TYR A 461 -2.941 -2.122 -3.790 1.00 5.23 H new ATOM 0 HE1 TYR A 461 -6.968 -1.188 -6.455 1.00 14.11 H new ATOM 0 HE2 TYR A 461 -5.157 -2.650 -2.881 1.00 74.12 H new ATOM 0 HH TYR A 461 -7.343 -2.634 -3.210 1.00 11.41 H new ATOM 751 N ARG A 462 0.583 -1.922 -7.536 1.00 41.44 N ATOM 752 CA ARG A 462 1.828 -1.468 -8.145 1.00 71.31 C ATOM 753 C ARG A 462 1.787 -1.643 -9.661 1.00 71.12 C ATOM 754 O ARG A 462 2.230 -0.771 -10.407 1.00 62.50 O ATOM 755 CB ARG A 462 3.015 -2.240 -7.565 1.00 73.31 C ATOM 756 CG ARG A 462 4.306 -2.049 -8.343 1.00 12.41 C ATOM 757 CD ARG A 462 5.480 -2.718 -7.647 1.00 23.41 C ATOM 758 NE ARG A 462 5.901 -1.986 -6.455 1.00 70.14 N ATOM 759 CZ ARG A 462 7.094 -2.125 -5.890 1.00 62.52 C ATOM 760 NH1 ARG A 462 7.982 -2.965 -6.405 1.00 75.42 N ATOM 761 NH2 ARG A 462 7.403 -1.424 -4.807 1.00 45.42 N ATOM 0 H ARG A 462 0.704 -2.586 -6.771 1.00 41.44 H new ATOM 0 HA ARG A 462 1.947 -0.408 -7.921 1.00 71.31 H new ATOM 0 HB2 ARG A 462 3.173 -1.925 -6.533 1.00 73.31 H new ATOM 0 HB3 ARG A 462 2.770 -3.302 -7.540 1.00 73.31 H new ATOM 0 HG2 ARG A 462 4.192 -2.462 -9.345 1.00 12.41 H new ATOM 0 HG3 ARG A 462 4.509 -0.984 -8.458 1.00 12.41 H new ATOM 0 HD2 ARG A 462 5.204 -3.735 -7.369 1.00 23.41 H new ATOM 0 HD3 ARG A 462 6.317 -2.793 -8.341 1.00 23.41 H new ATOM 0 HE ARG A 462 5.242 -1.332 -6.034 1.00 70.14 H new ATOM 0 HH11 ARG A 462 7.749 -3.506 -7.237 1.00 75.42 H new ATOM 0 HH12 ARG A 462 8.898 -3.070 -5.969 1.00 75.42 H new ATOM 0 HH21 ARG A 462 6.723 -0.777 -4.407 1.00 45.42 H new ATOM 0 HH22 ARG A 462 8.320 -1.532 -4.374 1.00 45.42 H new ATOM 775 N GLU A 463 1.252 -2.775 -10.107 1.00 70.10 N ATOM 776 CA GLU A 463 1.155 -3.064 -11.533 1.00 3.52 C ATOM 777 C GLU A 463 0.490 -1.909 -12.277 1.00 21.13 C ATOM 778 O GLU A 463 0.781 -1.661 -13.448 1.00 2.33 O ATOM 779 CB GLU A 463 0.366 -4.355 -11.763 1.00 44.31 C ATOM 780 CG GLU A 463 1.172 -5.615 -11.498 1.00 53.30 C ATOM 781 CD GLU A 463 0.741 -6.777 -12.372 1.00 3.23 C ATOM 782 OE1 GLU A 463 -0.392 -7.269 -12.188 1.00 11.20 O ATOM 783 OE2 GLU A 463 1.537 -7.193 -13.239 1.00 33.42 O ATOM 0 H GLU A 463 0.879 -3.507 -9.502 1.00 70.10 H new ATOM 0 HA GLU A 463 2.165 -3.191 -11.922 1.00 3.52 H new ATOM 0 HB2 GLU A 463 -0.513 -4.354 -11.118 1.00 44.31 H new ATOM 0 HB3 GLU A 463 0.007 -4.373 -12.792 1.00 44.31 H new ATOM 0 HG2 GLU A 463 2.229 -5.409 -11.669 1.00 53.30 H new ATOM 0 HG3 GLU A 463 1.067 -5.895 -10.450 1.00 53.30 H new ATOM 790 N SER A 464 -0.405 -1.206 -11.590 1.00 34.02 N ATOM 791 CA SER A 464 -1.115 -0.081 -12.186 1.00 44.41 C ATOM 792 C SER A 464 -1.078 1.134 -11.264 1.00 11.10 C ATOM 793 O SER A 464 -2.117 1.710 -10.934 1.00 21.03 O ATOM 794 CB SER A 464 -2.565 -0.466 -12.483 1.00 73.21 C ATOM 795 OG SER A 464 -3.071 0.266 -13.587 1.00 73.33 O ATOM 0 H SER A 464 -0.655 -1.396 -10.620 1.00 34.02 H new ATOM 0 HA SER A 464 -0.617 0.178 -13.120 1.00 44.41 H new ATOM 0 HB2 SER A 464 -2.626 -1.534 -12.692 1.00 73.21 H new ATOM 0 HB3 SER A 464 -3.182 -0.278 -11.604 1.00 73.21 H new ATOM 0 HG SER A 464 -3.999 0.001 -13.758 1.00 73.33 H new ATOM 801 N LEU A 465 0.124 1.520 -10.851 1.00 52.13 N ATOM 802 CA LEU A 465 0.298 2.667 -9.967 1.00 33.32 C ATOM 803 C LEU A 465 -0.253 3.937 -10.608 1.00 24.12 C ATOM 804 O LEU A 465 -1.038 4.661 -9.997 1.00 44.24 O ATOM 805 CB LEU A 465 1.778 2.854 -9.627 1.00 33.43 C ATOM 806 CG LEU A 465 2.754 2.755 -10.801 1.00 14.13 C ATOM 807 CD1 LEU A 465 3.350 4.118 -11.115 1.00 31.24 C ATOM 808 CD2 LEU A 465 3.853 1.747 -10.496 1.00 3.42 C ATOM 0 H LEU A 465 0.993 1.055 -11.114 1.00 52.13 H new ATOM 0 HA LEU A 465 -0.258 2.475 -9.049 1.00 33.32 H new ATOM 0 HB2 LEU A 465 1.902 3.830 -9.159 1.00 33.43 H new ATOM 0 HB3 LEU A 465 2.057 2.106 -8.884 1.00 33.43 H new ATOM 0 HG LEU A 465 2.206 2.411 -11.678 1.00 14.13 H new ATOM 0 HD11 LEU A 465 4.042 4.028 -11.953 1.00 31.24 H new ATOM 0 HD12 LEU A 465 2.552 4.813 -11.376 1.00 31.24 H new ATOM 0 HD13 LEU A 465 3.884 4.491 -10.241 1.00 31.24 H new ATOM 0 HD21 LEU A 465 4.538 1.689 -11.342 1.00 3.42 H new ATOM 0 HD22 LEU A 465 4.399 2.062 -9.607 1.00 3.42 H new ATOM 0 HD23 LEU A 465 3.409 0.767 -10.321 1.00 3.42 H new