USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.222 K(o=0.22,f=-1.7) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 1.78 (180deg=1.75) USER MOD Single : A 7 SER OG : rot 59:sc= 0.0504 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.16) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc=-0.00142 X(o=-0.0014,f=-0.012) USER MOD Single : A 39 SER OG : rot 35:sc= 0.945 USER MOD Single : A 42 THR OG1 : rot -150:sc=-0.00113 USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 0.931 (180deg=0.607) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00069) USER MOD Single : A 59 THR OG1 : rot 55:sc= 0.334 USER MOD Single : A 62 TYR OH : rot -25:sc= 0.175 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 0.521 (180deg=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 0.893 (180deg=0.433) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 1.55 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.523 12.052 -0.017 1.00 0.00 N ATOM 53 CA LYS A 4 -6.613 10.915 0.941 1.00 0.00 C ATOM 54 C LYS A 4 -5.200 10.582 1.515 1.00 0.00 C ATOM 55 O LYS A 4 -4.277 10.218 0.778 1.00 0.00 O ATOM 56 CB LYS A 4 -7.264 9.647 0.305 1.00 0.00 C ATOM 57 CG LYS A 4 -8.705 9.877 -0.186 1.00 0.00 C ATOM 58 CD LYS A 4 -9.531 8.625 -0.512 1.00 0.00 C ATOM 59 CE LYS A 4 -9.937 7.808 0.725 1.00 0.00 C ATOM 60 NZ LYS A 4 -11.017 6.849 0.356 1.00 0.00 N ATOM 0 HA LYS A 4 -7.267 11.228 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.651 9.316 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.263 8.841 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.237 10.447 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.665 10.500 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.431 8.925 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.957 7.987 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.075 7.268 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.282 8.474 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.291 6.296 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.842 7.374 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.672 6.206 -0.385 1.00 0.00 H new ATOM 74 N GLN A 5 -5.059 10.705 2.842 1.00 0.00 N ATOM 75 CA GLN A 5 -3.763 10.529 3.547 1.00 0.00 C ATOM 76 C GLN A 5 -3.195 9.073 3.575 1.00 0.00 C ATOM 77 O GLN A 5 -3.858 8.086 3.239 1.00 0.00 O ATOM 78 CB GLN A 5 -3.932 11.107 4.983 1.00 0.00 C ATOM 79 CG GLN A 5 -3.700 12.631 5.097 1.00 0.00 C ATOM 80 CD GLN A 5 -2.235 13.058 5.022 1.00 0.00 C ATOM 81 OE1 GLN A 5 -1.361 12.374 4.504 1.00 0.00 O ATOM 82 NE2 GLN A 5 -1.925 14.230 5.520 1.00 0.00 N ATOM 0 H GLN A 5 -5.835 10.929 3.465 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.007 11.070 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.938 10.879 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.237 10.596 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.252 13.130 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.119 12.980 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.646 14.807 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.963 14.565 5.474 1.00 0.00 H new ATOM 91 N LYS A 6 -1.904 8.981 3.932 1.00 0.00 N ATOM 92 CA LYS A 6 -1.093 7.753 3.745 1.00 0.00 C ATOM 93 C LYS A 6 -1.528 6.551 4.627 1.00 0.00 C ATOM 94 O LYS A 6 -1.697 6.670 5.842 1.00 0.00 O ATOM 95 CB LYS A 6 0.405 8.111 3.883 1.00 0.00 C ATOM 96 CG LYS A 6 1.190 8.108 2.562 1.00 0.00 C ATOM 97 CD LYS A 6 0.935 9.240 1.557 1.00 0.00 C ATOM 98 CE LYS A 6 -0.364 9.169 0.736 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.356 10.179 -0.351 1.00 0.00 N ATOM 0 H LYS A 6 -1.388 9.751 4.358 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.276 7.385 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.488 9.098 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.872 7.404 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.252 8.115 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.986 7.164 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.939 10.184 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.774 9.270 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.477 8.172 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.221 9.337 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.210 10.069 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.339 11.133 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.487 10.044 -0.944 1.00 0.00 H new ATOM 113 N SER A 7 -1.753 5.410 3.963 1.00 0.00 N ATOM 114 CA SER A 7 -2.377 4.219 4.587 1.00 0.00 C ATOM 115 C SER A 7 -1.423 3.008 4.419 1.00 0.00 C ATOM 116 O SER A 7 -1.324 2.461 3.319 1.00 0.00 O ATOM 117 CB SER A 7 -3.738 3.965 3.882 1.00 0.00 C ATOM 118 OG SER A 7 -4.630 5.070 4.041 1.00 0.00 O ATOM 0 H SER A 7 -1.511 5.279 2.981 1.00 0.00 H new ATOM 0 HA SER A 7 -2.551 4.372 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.570 3.783 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.197 3.065 4.291 1.00 0.00 H new ATOM 0 HG SER A 7 -4.222 5.877 3.663 1.00 0.00 H new ATOM 124 N GLU A 8 -0.717 2.630 5.491 1.00 0.00 N ATOM 125 CA GLU A 8 0.332 1.570 5.446 1.00 0.00 C ATOM 126 C GLU A 8 -0.147 0.336 6.275 1.00 0.00 C ATOM 127 O GLU A 8 -0.077 0.350 7.507 1.00 0.00 O ATOM 128 CB GLU A 8 1.666 2.163 5.992 1.00 0.00 C ATOM 129 CG GLU A 8 2.351 3.143 5.015 1.00 0.00 C ATOM 130 CD GLU A 8 3.571 3.850 5.582 1.00 0.00 C ATOM 131 OE1 GLU A 8 3.394 4.857 6.299 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.711 3.436 5.277 1.00 0.00 O ATOM 0 H GLU A 8 -0.846 3.040 6.416 1.00 0.00 H new ATOM 0 HA GLU A 8 0.505 1.233 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.467 2.679 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.352 1.346 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.647 2.596 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.624 3.893 4.704 1.00 0.00 H new ATOM 139 N ILE A 9 -0.665 -0.713 5.602 1.00 0.00 N ATOM 140 CA ILE A 9 -1.281 -1.881 6.296 1.00 0.00 C ATOM 141 C ILE A 9 -0.346 -3.137 6.144 1.00 0.00 C ATOM 142 O ILE A 9 0.222 -3.430 5.084 1.00 0.00 O ATOM 143 CB ILE A 9 -2.739 -2.165 5.792 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.732 -0.981 6.001 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.371 -3.409 6.480 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.843 -0.022 4.817 1.00 0.00 C ATOM 0 H ILE A 9 -0.673 -0.782 4.584 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.374 -1.645 7.356 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.604 -2.333 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.720 -1.388 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.422 -0.416 6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.380 -3.563 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.764 -4.289 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.413 -3.247 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.556 0.768 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.867 0.419 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.186 -0.568 3.938 1.00 0.00 H new ATOM 158 N THR A 10 -0.292 -3.896 7.240 1.00 0.00 N ATOM 159 CA THR A 10 0.530 -5.118 7.400 1.00 0.00 C ATOM 160 C THR A 10 0.104 -6.320 6.501 1.00 0.00 C ATOM 161 O THR A 10 -1.057 -6.466 6.101 1.00 0.00 O ATOM 162 CB THR A 10 0.429 -5.448 8.933 1.00 0.00 C ATOM 163 OG1 THR A 10 0.906 -4.354 9.716 1.00 0.00 O ATOM 164 CG2 THR A 10 1.230 -6.641 9.429 1.00 0.00 C ATOM 0 H THR A 10 -0.835 -3.677 8.075 1.00 0.00 H new ATOM 0 HA THR A 10 1.552 -4.940 7.066 1.00 0.00 H new ATOM 0 HB THR A 10 -0.632 -5.668 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.834 -4.577 10.668 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.076 -6.763 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.901 -7.541 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.289 -6.476 9.231 1.00 0.00 H new ATOM 172 N ALA A 11 1.077 -7.201 6.220 1.00 0.00 N ATOM 173 CA ALA A 11 0.876 -8.415 5.403 1.00 0.00 C ATOM 174 C ALA A 11 -0.121 -9.464 5.965 1.00 0.00 C ATOM 175 O ALA A 11 -0.118 -9.774 7.158 1.00 0.00 O ATOM 176 CB ALA A 11 2.277 -9.018 5.195 1.00 0.00 C ATOM 0 H ALA A 11 2.034 -7.093 6.555 1.00 0.00 H new ATOM 0 HA ALA A 11 0.393 -8.122 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.198 -9.924 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.911 -8.296 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.716 -9.261 6.163 1.00 0.00 H new ATOM 382 N SER A 24 1.701 -15.027 1.904 1.00 0.00 N ATOM 383 CA SER A 24 2.113 -14.130 0.798 1.00 0.00 C ATOM 384 C SER A 24 2.571 -12.732 1.283 1.00 0.00 C ATOM 385 O SER A 24 2.073 -12.186 2.274 1.00 0.00 O ATOM 386 CB SER A 24 0.933 -14.061 -0.195 1.00 0.00 C ATOM 387 OG SER A 24 1.297 -13.400 -1.404 1.00 0.00 O ATOM 0 HA SER A 24 2.997 -14.535 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.589 -15.070 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.098 -13.536 0.269 1.00 0.00 H new ATOM 0 HG SER A 24 0.526 -13.376 -2.009 1.00 0.00 H new ATOM 393 N LYS A 25 3.530 -12.141 0.554 1.00 0.00 N ATOM 394 CA LYS A 25 4.105 -10.818 0.913 1.00 0.00 C ATOM 395 C LYS A 25 3.147 -9.672 0.452 1.00 0.00 C ATOM 396 O LYS A 25 3.189 -9.237 -0.702 1.00 0.00 O ATOM 397 CB LYS A 25 5.520 -10.658 0.297 1.00 0.00 C ATOM 398 CG LYS A 25 6.699 -11.261 1.090 1.00 0.00 C ATOM 399 CD LYS A 25 6.716 -12.792 1.191 1.00 0.00 C ATOM 400 CE LYS A 25 7.851 -13.366 2.066 1.00 0.00 C ATOM 401 NZ LYS A 25 9.174 -13.341 1.377 1.00 0.00 N ATOM 0 H LYS A 25 3.930 -12.552 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 25 4.207 -10.756 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.511 -11.110 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.712 -9.594 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.630 -10.935 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.684 -10.848 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.760 -13.127 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.803 -13.208 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.916 -12.794 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.609 -14.392 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.901 -13.737 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.123 -13.909 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.422 -12.360 1.136 1.00 0.00 H new ATOM 415 N ALA A 26 2.285 -9.215 1.373 1.00 0.00 N ATOM 416 CA ALA A 26 1.256 -8.198 1.079 1.00 0.00 C ATOM 417 C ALA A 26 1.620 -6.848 1.740 1.00 0.00 C ATOM 418 O ALA A 26 1.830 -6.765 2.951 1.00 0.00 O ATOM 419 CB ALA A 26 -0.095 -8.749 1.552 1.00 0.00 C ATOM 0 H ALA A 26 2.279 -9.537 2.341 1.00 0.00 H new ATOM 0 HA ALA A 26 1.197 -7.998 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.878 -8.018 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.316 -9.675 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.053 -8.946 2.623 1.00 0.00 H new ATOM 425 N LYS A 27 1.726 -5.792 0.935 1.00 0.00 N ATOM 426 CA LYS A 27 1.938 -4.418 1.455 1.00 0.00 C ATOM 427 C LYS A 27 0.866 -3.490 0.822 1.00 0.00 C ATOM 428 O LYS A 27 0.768 -3.392 -0.407 1.00 0.00 O ATOM 429 CB LYS A 27 3.376 -3.914 1.175 1.00 0.00 C ATOM 430 CG LYS A 27 4.446 -4.402 2.174 1.00 0.00 C ATOM 431 CD LYS A 27 5.056 -5.780 1.864 1.00 0.00 C ATOM 432 CE LYS A 27 5.244 -6.682 3.100 1.00 0.00 C ATOM 433 NZ LYS A 27 6.313 -6.163 4.004 1.00 0.00 N ATOM 0 H LYS A 27 1.670 -5.849 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 27 1.828 -4.415 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.666 -4.229 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.369 -2.824 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.250 -3.667 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.002 -4.435 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.416 -6.295 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.023 -5.636 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.304 -6.749 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.498 -7.692 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.411 -6.795 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.215 -6.123 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.058 -5.209 4.331 1.00 0.00 H new ATOM 447 N ARG A 28 0.061 -2.832 1.668 1.00 0.00 N ATOM 448 CA ARG A 28 -1.036 -1.941 1.209 1.00 0.00 C ATOM 449 C ARG A 28 -0.587 -0.486 1.535 1.00 0.00 C ATOM 450 O ARG A 28 -0.511 -0.137 2.715 1.00 0.00 O ATOM 451 CB ARG A 28 -2.410 -2.250 1.866 1.00 0.00 C ATOM 452 CG ARG A 28 -2.725 -3.721 2.195 1.00 0.00 C ATOM 453 CD ARG A 28 -4.161 -3.925 2.697 1.00 0.00 C ATOM 454 NE ARG A 28 -4.299 -5.305 3.235 1.00 0.00 N ATOM 455 CZ ARG A 28 -4.886 -6.331 2.625 1.00 0.00 C ATOM 456 NH1 ARG A 28 -5.422 -6.270 1.435 1.00 0.00 N ATOM 457 NH2 ARG A 28 -4.923 -7.469 3.248 1.00 0.00 N ATOM 0 H ARG A 28 0.143 -2.895 2.683 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.197 -2.095 0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.478 -1.676 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.191 -1.879 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.567 -4.329 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.026 -4.077 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.396 -3.195 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.869 -3.766 1.884 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.906 -5.481 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.406 -5.394 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.856 -7.098 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.510 -7.556 4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.366 -8.276 2.809 1.00 0.00 H new ATOM 471 N GLU A 29 -0.193 0.287 0.517 1.00 0.00 N ATOM 472 CA GLU A 29 0.574 1.550 0.722 1.00 0.00 C ATOM 473 C GLU A 29 0.107 2.613 -0.317 1.00 0.00 C ATOM 474 O GLU A 29 -0.059 2.310 -1.508 1.00 0.00 O ATOM 475 CB GLU A 29 2.102 1.322 0.559 1.00 0.00 C ATOM 476 CG GLU A 29 2.745 0.413 1.626 1.00 0.00 C ATOM 477 CD GLU A 29 4.056 -0.215 1.203 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.115 -0.757 0.081 1.00 0.00 O ATOM 479 OE2 GLU A 29 5.023 -0.214 1.988 1.00 0.00 O ATOM 0 H GLU A 29 -0.386 0.072 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 29 0.384 1.898 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.286 0.889 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.602 2.290 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.911 0.997 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.042 -0.380 1.882 1.00 0.00 H new ATOM 486 N ALA A 30 -0.074 3.863 0.132 1.00 0.00 N ATOM 487 CA ALA A 30 -0.429 4.981 -0.769 1.00 0.00 C ATOM 488 C ALA A 30 0.780 5.902 -1.111 1.00 0.00 C ATOM 489 O ALA A 30 1.254 6.589 -0.209 1.00 0.00 O ATOM 490 CB ALA A 30 -1.565 5.741 -0.073 1.00 0.00 C ATOM 0 H ALA A 30 0.018 4.130 1.112 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.746 4.600 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.873 6.583 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.412 5.072 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.218 6.109 0.893 1.00 0.00 H new ATOM 496 N PRO A 31 1.281 6.019 -2.369 1.00 0.00 N ATOM 497 CA PRO A 31 2.370 7.002 -2.704 1.00 0.00 C ATOM 498 C PRO A 31 1.845 8.435 -2.996 1.00 0.00 C ATOM 499 O PRO A 31 1.743 9.247 -2.068 1.00 0.00 O ATOM 500 CB PRO A 31 3.129 6.247 -3.820 1.00 0.00 C ATOM 501 CG PRO A 31 2.047 5.412 -4.541 1.00 0.00 C ATOM 502 CD PRO A 31 1.109 4.976 -3.407 1.00 0.00 C ATOM 0 HA PRO A 31 3.047 7.262 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.615 6.941 -4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.909 5.609 -3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.521 6.001 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.480 4.554 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.075 4.919 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.375 3.989 -3.028 1.00 0.00 H new ATOM 510 N ILE A 32 1.517 8.759 -4.254 1.00 0.00 N ATOM 511 CA ILE A 32 1.212 10.147 -4.691 1.00 0.00 C ATOM 512 C ILE A 32 -0.068 10.179 -5.584 1.00 0.00 C ATOM 513 O ILE A 32 -0.168 9.457 -6.581 1.00 0.00 O ATOM 514 CB ILE A 32 2.408 10.861 -5.447 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.087 10.011 -6.540 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.414 11.410 -4.423 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.239 10.677 -7.287 1.00 0.00 C ATOM 0 H ILE A 32 1.453 8.072 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 32 1.042 10.709 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 32 1.971 11.689 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.459 9.095 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.330 9.718 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.235 11.900 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.916 12.130 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.806 10.590 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.638 9.987 -8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.878 11.577 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.025 10.944 -6.580 1.00 0.00 H new ATOM 529 N LYS A 33 -1.005 11.077 -5.252 1.00 0.00 N ATOM 530 CA LYS A 33 -2.239 11.302 -6.068 1.00 0.00 C ATOM 531 C LYS A 33 -2.100 12.211 -7.339 1.00 0.00 C ATOM 532 O LYS A 33 -3.003 12.219 -8.177 1.00 0.00 O ATOM 533 CB LYS A 33 -3.324 11.838 -5.097 1.00 0.00 C ATOM 534 CG LYS A 33 -4.782 11.422 -5.394 1.00 0.00 C ATOM 535 CD LYS A 33 -4.992 9.902 -5.262 1.00 0.00 C ATOM 536 CE LYS A 33 -6.291 9.444 -4.584 1.00 0.00 C ATOM 537 NZ LYS A 33 -7.460 9.522 -5.498 1.00 0.00 N ATOM 0 H LYS A 33 -0.945 11.669 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.504 10.344 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.073 11.507 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.273 12.927 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.453 11.940 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.050 11.738 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.956 9.465 -6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.152 9.489 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.174 8.418 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.477 10.062 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.221 8.909 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.799 10.504 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.179 9.208 -6.449 1.00 0.00 H new ATOM 551 N TYR A 34 -0.983 12.942 -7.475 1.00 0.00 N ATOM 552 CA TYR A 34 -0.624 13.676 -8.723 1.00 0.00 C ATOM 553 C TYR A 34 -0.211 12.757 -9.921 1.00 0.00 C ATOM 554 O TYR A 34 -0.733 12.939 -11.020 1.00 0.00 O ATOM 555 CB TYR A 34 0.472 14.692 -8.313 1.00 0.00 C ATOM 556 CG TYR A 34 0.883 15.718 -9.381 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.065 16.823 -9.663 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.106 15.595 -10.060 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.467 17.783 -10.595 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.506 16.560 -10.989 1.00 0.00 C ATOM 561 CZ TYR A 34 1.688 17.657 -11.250 1.00 0.00 C ATOM 562 OH TYR A 34 2.091 18.623 -12.123 1.00 0.00 O ATOM 0 H TYR A 34 -0.295 13.048 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.500 14.184 -9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.124 15.234 -7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.360 14.135 -8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.882 16.932 -9.156 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.744 14.746 -9.863 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.173 18.627 -10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.449 16.455 -11.504 1.00 0.00 H new ATOM 0 HH TYR A 34 2.966 18.384 -12.494 1.00 0.00 H new ATOM 572 N TRP A 35 0.700 11.792 -9.708 1.00 0.00 N ATOM 573 CA TRP A 35 1.061 10.777 -10.738 1.00 0.00 C ATOM 574 C TRP A 35 0.035 9.606 -10.872 1.00 0.00 C ATOM 575 O TRP A 35 -0.309 9.265 -12.005 1.00 0.00 O ATOM 576 CB TRP A 35 2.488 10.309 -10.388 1.00 0.00 C ATOM 577 CG TRP A 35 3.196 9.365 -11.400 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.460 7.986 -11.200 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.807 9.670 -12.622 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.188 7.423 -12.259 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.397 8.477 -13.124 1.00 0.00 C ATOM 582 CE3 TRP A 35 3.949 10.897 -13.345 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.126 8.504 -14.347 1.00 0.00 C ATOM 584 CZ3 TRP A 35 4.666 10.892 -14.539 1.00 0.00 C ATOM 585 CH2 TRP A 35 5.247 9.708 -15.035 1.00 0.00 C ATOM 0 H TRP A 35 1.208 11.686 -8.830 1.00 0.00 H new ATOM 0 HA TRP A 35 1.029 11.221 -11.733 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.111 11.194 -10.259 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.450 9.802 -9.424 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.137 7.432 -10.331 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.493 6.455 -12.365 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.508 11.810 -12.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.578 7.603 -14.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.779 11.811 -15.094 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.796 9.735 -15.965 1.00 0.00 H new ATOM 596 N LEU A 36 -0.425 8.980 -9.769 1.00 0.00 N ATOM 597 CA LEU A 36 -1.353 7.825 -9.840 1.00 0.00 C ATOM 598 C LEU A 36 -2.783 8.230 -9.350 1.00 0.00 C ATOM 599 O LEU A 36 -2.891 8.725 -8.223 1.00 0.00 O ATOM 600 CB LEU A 36 -0.830 6.648 -8.969 1.00 0.00 C ATOM 601 CG LEU A 36 0.549 6.062 -9.342 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.915 4.956 -8.339 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.617 5.502 -10.765 1.00 0.00 C ATOM 0 H LEU A 36 -0.171 9.252 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.408 7.508 -10.881 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.786 6.986 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.563 5.843 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 36 1.262 6.886 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.888 4.538 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.955 5.375 -7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.161 4.169 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.616 5.108 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.115 4.702 -10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.399 6.296 -11.479 1.00 0.00 H new ATOM 615 N PRO A 37 -3.908 7.998 -10.083 1.00 0.00 N ATOM 616 CA PRO A 37 -5.277 8.364 -9.582 1.00 0.00 C ATOM 617 C PRO A 37 -5.828 7.609 -8.340 1.00 0.00 C ATOM 618 O PRO A 37 -6.746 8.125 -7.699 1.00 0.00 O ATOM 619 CB PRO A 37 -6.150 8.192 -10.847 1.00 0.00 C ATOM 620 CG PRO A 37 -5.427 7.109 -11.676 1.00 0.00 C ATOM 621 CD PRO A 37 -3.934 7.396 -11.435 1.00 0.00 C ATOM 0 HA PRO A 37 -5.267 9.369 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.163 7.884 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.232 9.127 -11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.699 6.106 -11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.682 7.178 -12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.338 6.484 -11.479 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.531 8.077 -12.185 1.00 0.00 H new ATOM 629 N HIS A 38 -5.272 6.445 -7.972 1.00 0.00 N ATOM 630 CA HIS A 38 -5.569 5.765 -6.693 1.00 0.00 C ATOM 631 C HIS A 38 -4.258 5.533 -5.889 1.00 0.00 C ATOM 632 O HIS A 38 -3.589 4.510 -6.051 1.00 0.00 O ATOM 633 CB HIS A 38 -6.328 4.470 -7.073 1.00 0.00 C ATOM 634 CG HIS A 38 -6.998 3.743 -5.900 1.00 0.00 C ATOM 635 ND1 HIS A 38 -8.369 3.572 -5.805 1.00 0.00 N ATOM 636 CD2 HIS A 38 -6.367 3.107 -4.804 1.00 0.00 C ATOM 637 CE1 HIS A 38 -8.460 2.820 -4.660 1.00 0.00 C ATOM 638 NE2 HIS A 38 -7.309 2.518 -3.981 1.00 0.00 N ATOM 0 H HIS A 38 -4.600 5.943 -8.553 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.193 6.358 -6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.091 4.717 -7.811 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.629 3.785 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.301 3.085 -4.635 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.418 2.474 -4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.182 2.002 -3.110 1.00 0.00 H new ATOM 647 N SER A 39 -3.958 6.434 -4.942 1.00 0.00 N ATOM 648 CA SER A 39 -2.949 6.175 -3.883 1.00 0.00 C ATOM 649 C SER A 39 -3.531 5.241 -2.775 1.00 0.00 C ATOM 650 O SER A 39 -4.296 5.696 -1.918 1.00 0.00 O ATOM 651 CB SER A 39 -2.457 7.514 -3.293 1.00 0.00 C ATOM 652 OG SER A 39 -3.468 8.178 -2.529 1.00 0.00 O ATOM 0 H SER A 39 -4.396 7.353 -4.881 1.00 0.00 H new ATOM 0 HA SER A 39 -2.096 5.659 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.588 7.332 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.130 8.166 -4.103 1.00 0.00 H new ATOM 0 HG SER A 39 -4.015 7.512 -2.062 1.00 0.00 H new ATOM 658 N GLY A 40 -3.141 3.966 -2.822 1.00 0.00 N ATOM 659 CA GLY A 40 -3.498 2.969 -1.790 1.00 0.00 C ATOM 660 C GLY A 40 -3.620 1.570 -2.404 1.00 0.00 C ATOM 661 O GLY A 40 -4.736 1.135 -2.697 1.00 0.00 O ATOM 0 H GLY A 40 -2.567 3.587 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.740 2.962 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.441 3.248 -1.319 1.00 0.00 H new ATOM 665 N ALA A 41 -2.476 0.911 -2.652 1.00 0.00 N ATOM 666 CA ALA A 41 -2.418 -0.296 -3.510 1.00 0.00 C ATOM 667 C ALA A 41 -1.891 -1.541 -2.746 1.00 0.00 C ATOM 668 O ALA A 41 -0.749 -1.566 -2.274 1.00 0.00 O ATOM 669 CB ALA A 41 -1.535 0.048 -4.724 1.00 0.00 C ATOM 0 H ALA A 41 -1.572 1.191 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.422 -0.567 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.467 -0.818 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.975 0.884 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.537 0.323 -4.382 1.00 0.00 H new ATOM 675 N THR A 42 -2.736 -2.578 -2.665 1.00 0.00 N ATOM 676 CA THR A 42 -2.365 -3.899 -2.099 1.00 0.00 C ATOM 677 C THR A 42 -1.749 -4.836 -3.180 1.00 0.00 C ATOM 678 O THR A 42 -2.447 -5.286 -4.092 1.00 0.00 O ATOM 679 CB THR A 42 -3.591 -4.517 -1.362 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.206 -5.736 -0.736 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.834 -4.840 -2.181 1.00 0.00 C ATOM 0 H THR A 42 -3.702 -2.532 -2.989 1.00 0.00 H new ATOM 0 HA THR A 42 -1.577 -3.766 -1.358 1.00 0.00 H new ATOM 0 HB THR A 42 -3.879 -3.716 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.976 -6.341 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.599 -5.263 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.213 -3.928 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.580 -5.561 -2.958 1.00 0.00 H new ATOM 689 N TRP A 43 -0.448 -5.139 -3.066 1.00 0.00 N ATOM 690 CA TRP A 43 0.208 -6.169 -3.924 1.00 0.00 C ATOM 691 C TRP A 43 0.572 -7.390 -3.032 1.00 0.00 C ATOM 692 O TRP A 43 1.510 -7.308 -2.234 1.00 0.00 O ATOM 693 CB TRP A 43 1.422 -5.528 -4.626 1.00 0.00 C ATOM 694 CG TRP A 43 2.034 -6.348 -5.823 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.159 -7.766 -5.941 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.662 -5.855 -6.980 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.811 -8.153 -7.114 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.135 -6.967 -7.731 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.924 -4.524 -7.447 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.901 -6.761 -8.911 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.677 -4.353 -8.606 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.167 -5.459 -9.324 1.00 0.00 C ATOM 0 H TRP A 43 0.179 -4.695 -2.395 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.453 -6.533 -4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.127 -4.546 -4.996 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.204 -5.367 -3.884 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.790 -8.463 -5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.003 -9.100 -7.439 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.543 -3.669 -6.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.271 -7.602 -9.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.888 -3.355 -8.959 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.760 -5.295 -10.211 1.00 0.00 H new ATOM 713 N SER A 44 -0.164 -8.504 -3.188 1.00 0.00 N ATOM 714 CA SER A 44 0.088 -9.759 -2.428 1.00 0.00 C ATOM 715 C SER A 44 0.896 -10.788 -3.268 1.00 0.00 C ATOM 716 O SER A 44 0.328 -11.618 -3.988 1.00 0.00 O ATOM 717 CB SER A 44 -1.285 -10.299 -1.954 1.00 0.00 C ATOM 718 OG SER A 44 -1.128 -11.409 -1.067 1.00 0.00 O ATOM 0 H SER A 44 -0.947 -8.569 -3.838 1.00 0.00 H new ATOM 0 HA SER A 44 0.714 -9.564 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.837 -9.505 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.877 -10.602 -2.818 1.00 0.00 H new ATOM 0 HG SER A 44 -2.010 -11.728 -0.783 1.00 0.00 H new ATOM 724 N GLY A 45 2.231 -10.738 -3.159 1.00 0.00 N ATOM 725 CA GLY A 45 3.120 -11.649 -3.921 1.00 0.00 C ATOM 726 C GLY A 45 4.562 -11.140 -4.019 1.00 0.00 C ATOM 727 O GLY A 45 5.419 -11.566 -3.242 1.00 0.00 O ATOM 0 H GLY A 45 2.725 -10.081 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.119 -12.630 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.719 -11.782 -4.926 1.00 0.00 H new ATOM 731 N ARG A 46 4.815 -10.219 -4.963 1.00 0.00 N ATOM 732 CA ARG A 46 6.090 -9.444 -4.994 1.00 0.00 C ATOM 733 C ARG A 46 6.056 -8.314 -3.933 1.00 0.00 C ATOM 734 O ARG A 46 5.093 -7.543 -3.842 1.00 0.00 O ATOM 735 CB ARG A 46 6.296 -8.931 -6.436 1.00 0.00 C ATOM 736 CG ARG A 46 7.547 -8.074 -6.730 1.00 0.00 C ATOM 737 CD ARG A 46 7.293 -6.556 -6.666 1.00 0.00 C ATOM 738 NE ARG A 46 8.371 -5.808 -7.368 1.00 0.00 N ATOM 739 CZ ARG A 46 9.416 -5.210 -6.801 1.00 0.00 C ATOM 740 NH1 ARG A 46 9.655 -5.202 -5.517 1.00 0.00 N ATOM 741 NH2 ARG A 46 10.261 -4.594 -7.577 1.00 0.00 N ATOM 0 H ARG A 46 4.166 -9.986 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 46 6.945 -10.067 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.322 -9.797 -7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.418 -8.346 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.328 -8.332 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.925 -8.328 -7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.329 -6.325 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.240 -6.235 -5.626 1.00 0.00 H new ATOM 0 HE ARG A 46 8.302 -5.748 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.018 -5.676 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.478 -4.721 -5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.111 -4.581 -8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.073 -4.125 -7.176 1.00 0.00 H new ATOM 755 N GLY A 47 7.145 -8.213 -3.158 1.00 0.00 N ATOM 756 CA GLY A 47 7.257 -7.200 -2.089 1.00 0.00 C ATOM 757 C GLY A 47 7.558 -5.793 -2.608 1.00 0.00 C ATOM 758 O GLY A 47 8.720 -5.393 -2.674 1.00 0.00 O ATOM 0 H GLY A 47 7.962 -8.817 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.326 -7.178 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.044 -7.499 -1.397 1.00 0.00 H new ATOM 762 N LYS A 48 6.503 -5.060 -2.979 1.00 0.00 N ATOM 763 CA LYS A 48 6.620 -3.634 -3.379 1.00 0.00 C ATOM 764 C LYS A 48 6.548 -2.716 -2.129 1.00 0.00 C ATOM 765 O LYS A 48 5.495 -2.624 -1.495 1.00 0.00 O ATOM 766 CB LYS A 48 5.608 -3.307 -4.508 1.00 0.00 C ATOM 767 CG LYS A 48 4.130 -3.098 -4.132 1.00 0.00 C ATOM 768 CD LYS A 48 3.748 -1.611 -4.032 1.00 0.00 C ATOM 769 CE LYS A 48 2.332 -1.354 -3.493 1.00 0.00 C ATOM 770 NZ LYS A 48 2.282 -1.521 -2.018 1.00 0.00 N ATOM 0 H LYS A 48 5.550 -5.423 -3.014 1.00 0.00 H new ATOM 0 HA LYS A 48 7.599 -3.435 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.953 -2.404 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.653 -4.115 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.498 -3.582 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.929 -3.586 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.467 -1.107 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.835 -1.159 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.016 -0.345 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.630 -2.042 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.637 -0.814 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.940 -2.476 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.234 -1.390 -1.621 1.00 0.00 H new ATOM 784 N ILE A 49 7.664 -2.069 -1.780 1.00 0.00 N ATOM 785 CA ILE A 49 7.699 -1.030 -0.719 1.00 0.00 C ATOM 786 C ILE A 49 8.133 0.293 -1.458 1.00 0.00 C ATOM 787 O ILE A 49 9.301 0.364 -1.866 1.00 0.00 O ATOM 788 CB ILE A 49 8.681 -1.373 0.466 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.364 -2.692 1.223 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.604 -0.244 1.540 1.00 0.00 C ATOM 791 CD1 ILE A 49 8.924 -3.970 0.603 1.00 0.00 C ATOM 0 H ILE A 49 8.570 -2.242 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 49 6.725 -0.943 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 49 9.658 -1.476 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.749 -2.606 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.281 -2.793 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.281 -0.477 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.892 0.706 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.585 -0.172 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.641 -4.826 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.521 -4.094 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.011 -3.904 0.552 1.00 0.00 H new ATOM 803 N PRO A 50 7.303 1.361 -1.634 1.00 0.00 N ATOM 804 CA PRO A 50 7.755 2.632 -2.298 1.00 0.00 C ATOM 805 C PRO A 50 8.579 3.608 -1.409 1.00 0.00 C ATOM 806 O PRO A 50 8.381 4.823 -1.437 1.00 0.00 O ATOM 807 CB PRO A 50 6.388 3.196 -2.776 1.00 0.00 C ATOM 808 CG PRO A 50 5.402 2.797 -1.654 1.00 0.00 C ATOM 809 CD PRO A 50 5.895 1.411 -1.205 1.00 0.00 C ATOM 0 HA PRO A 50 8.486 2.469 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.427 4.277 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.094 2.769 -3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.420 3.513 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.376 2.757 -2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.805 1.289 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.311 0.614 -1.666 1.00 0.00 H new ATOM 817 N LYS A 51 9.572 3.065 -0.695 1.00 0.00 N ATOM 818 CA LYS A 51 10.547 3.847 0.096 1.00 0.00 C ATOM 819 C LYS A 51 11.578 4.635 -0.765 1.00 0.00 C ATOM 820 O LYS A 51 11.601 5.852 -0.564 1.00 0.00 O ATOM 821 CB LYS A 51 11.192 2.960 1.183 1.00 0.00 C ATOM 822 CG LYS A 51 10.386 2.812 2.489 1.00 0.00 C ATOM 823 CD LYS A 51 10.493 3.948 3.516 1.00 0.00 C ATOM 824 CE LYS A 51 9.648 5.221 3.314 1.00 0.00 C ATOM 825 NZ LYS A 51 8.173 4.957 3.292 1.00 0.00 N ATOM 0 H LYS A 51 9.728 2.058 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 51 9.991 4.636 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.357 1.967 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.172 3.370 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.335 2.694 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.698 1.888 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.237 3.535 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.539 4.251 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.872 5.928 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.939 5.697 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.662 5.854 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.946 4.319 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.886 4.514 4.188 1.00 0.00 H new ATOM 839 N PRO A 52 12.379 4.103 -1.735 1.00 0.00 N ATOM 840 CA PRO A 52 13.137 4.976 -2.698 1.00 0.00 C ATOM 841 C PRO A 52 12.301 5.845 -3.686 1.00 0.00 C ATOM 842 O PRO A 52 12.795 6.884 -4.125 1.00 0.00 O ATOM 843 CB PRO A 52 14.063 3.954 -3.400 1.00 0.00 C ATOM 844 CG PRO A 52 13.257 2.638 -3.398 1.00 0.00 C ATOM 845 CD PRO A 52 12.494 2.662 -2.060 1.00 0.00 C ATOM 0 HA PRO A 52 13.656 5.778 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.305 4.270 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.007 3.842 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.573 2.589 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.912 1.770 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.514 2.195 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.034 2.120 -1.283 1.00 0.00 H new ATOM 853 N PHE A 53 11.046 5.460 -3.989 1.00 0.00 N ATOM 854 CA PHE A 53 10.109 6.311 -4.760 1.00 0.00 C ATOM 855 C PHE A 53 9.578 7.520 -3.948 1.00 0.00 C ATOM 856 O PHE A 53 9.883 8.644 -4.343 1.00 0.00 O ATOM 857 CB PHE A 53 9.009 5.398 -5.352 1.00 0.00 C ATOM 858 CG PHE A 53 8.005 6.133 -6.254 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.365 6.546 -7.544 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.723 6.451 -5.775 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.454 7.221 -8.358 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.820 7.142 -6.583 1.00 0.00 C ATOM 863 CZ PHE A 53 6.177 7.509 -7.877 1.00 0.00 C ATOM 0 H PHE A 53 10.653 4.561 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 53 10.635 6.791 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.482 4.602 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.467 4.923 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.359 6.340 -7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.435 6.159 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.737 7.519 -9.357 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.841 7.393 -6.203 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.464 8.017 -8.509 1.00 0.00 H new ATOM 873 N GLU A 54 8.833 7.326 -2.842 1.00 0.00 N ATOM 874 CA GLU A 54 8.349 8.466 -2.005 1.00 0.00 C ATOM 875 C GLU A 54 9.453 9.365 -1.340 1.00 0.00 C ATOM 876 O GLU A 54 9.194 10.552 -1.105 1.00 0.00 O ATOM 877 CB GLU A 54 7.320 7.918 -0.976 1.00 0.00 C ATOM 878 CG GLU A 54 6.514 9.019 -0.260 1.00 0.00 C ATOM 879 CD GLU A 54 5.450 8.556 0.715 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.723 7.660 1.543 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.353 9.159 0.711 1.00 0.00 O ATOM 0 H GLU A 54 8.551 6.407 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 54 7.875 9.172 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.629 7.249 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.847 7.323 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.214 9.658 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.035 9.638 -1.018 1.00 0.00 H new ATOM 888 N ALA A 55 10.656 8.815 -1.097 1.00 0.00 N ATOM 889 CA ALA A 55 11.862 9.600 -0.775 1.00 0.00 C ATOM 890 C ALA A 55 12.410 10.466 -1.939 1.00 0.00 C ATOM 891 O ALA A 55 12.549 11.668 -1.729 1.00 0.00 O ATOM 892 CB ALA A 55 12.935 8.632 -0.264 1.00 0.00 C ATOM 0 H ALA A 55 10.820 7.809 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 55 11.580 10.326 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.840 9.188 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.570 8.121 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.160 7.897 -1.037 1.00 0.00 H new ATOM 898 N TRP A 56 12.681 9.925 -3.147 1.00 0.00 N ATOM 899 CA TRP A 56 13.075 10.772 -4.319 1.00 0.00 C ATOM 900 C TRP A 56 11.946 11.732 -4.828 1.00 0.00 C ATOM 901 O TRP A 56 12.226 12.903 -5.092 1.00 0.00 O ATOM 902 CB TRP A 56 13.662 9.881 -5.431 1.00 0.00 C ATOM 903 CG TRP A 56 14.791 10.563 -6.296 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.859 11.908 -6.782 1.00 0.00 C ATOM 905 CD2 TRP A 56 15.976 9.974 -6.763 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.041 12.162 -7.495 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.713 10.960 -7.479 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.500 8.644 -6.642 1.00 0.00 C ATOM 909 CZ2 TRP A 56 17.965 10.627 -8.068 1.00 0.00 C ATOM 910 CZ3 TRP A 56 17.726 8.349 -7.231 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.451 9.329 -7.935 1.00 0.00 C ATOM 0 H TRP A 56 12.638 8.925 -3.345 1.00 0.00 H new ATOM 0 HA TRP A 56 13.852 11.456 -3.978 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.068 8.977 -4.977 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.854 9.570 -6.093 1.00 0.00 H new ATOM 0 HD1 TRP A 56 14.087 12.645 -6.618 1.00 0.00 H new ATOM 0 HE1 TRP A 56 16.335 13.038 -7.927 1.00 0.00 H new ATOM 0 HE3 TRP A 56 15.953 7.885 -6.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.530 11.371 -8.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.128 7.350 -7.146 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.400 9.070 -8.380 1.00 0.00 H new ATOM 922 N ILE A 57 10.676 11.294 -4.838 1.00 0.00 N ATOM 923 CA ILE A 57 9.492 12.219 -4.911 1.00 0.00 C ATOM 924 C ILE A 57 9.331 13.239 -3.698 1.00 0.00 C ATOM 925 O ILE A 57 8.491 14.138 -3.777 1.00 0.00 O ATOM 926 CB ILE A 57 8.243 11.334 -5.215 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.290 10.578 -6.584 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.862 11.979 -5.079 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.313 11.426 -7.850 1.00 0.00 C ATOM 0 H ILE A 57 10.424 10.306 -4.797 1.00 0.00 H new ATOM 0 HA ILE A 57 9.643 12.932 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 57 8.344 10.629 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.175 9.942 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.423 9.919 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.093 11.246 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.722 12.327 -4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.786 12.824 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.345 10.775 -8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.416 12.044 -7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.195 12.067 -7.843 1.00 0.00 H new ATOM 941 N GLY A 58 10.157 13.171 -2.643 1.00 0.00 N ATOM 942 CA GLY A 58 10.335 14.278 -1.679 1.00 0.00 C ATOM 943 C GLY A 58 11.664 15.063 -1.720 1.00 0.00 C ATOM 944 O GLY A 58 11.610 16.270 -1.493 1.00 0.00 O ATOM 0 H GLY A 58 10.722 12.349 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.522 14.988 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.218 13.870 -0.675 1.00 0.00 H new ATOM 948 N THR A 59 12.816 14.421 -1.982 1.00 0.00 N ATOM 949 CA THR A 59 14.187 15.034 -1.876 1.00 0.00 C ATOM 950 C THR A 59 14.347 16.500 -2.417 1.00 0.00 C ATOM 951 O THR A 59 14.876 17.362 -1.714 1.00 0.00 O ATOM 952 CB THR A 59 15.221 14.072 -2.567 1.00 0.00 C ATOM 953 OG1 THR A 59 15.144 12.752 -2.042 1.00 0.00 O ATOM 954 CG2 THR A 59 16.681 14.473 -2.387 1.00 0.00 C ATOM 0 H THR A 59 12.840 13.446 -2.279 1.00 0.00 H new ATOM 0 HA THR A 59 14.376 15.141 -0.808 1.00 0.00 H new ATOM 0 HB THR A 59 14.942 14.132 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.222 12.427 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.322 13.753 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.841 15.464 -2.811 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.926 14.488 -1.325 1.00 0.00 H new ATOM 962 N ALA A 60 13.854 16.734 -3.639 1.00 0.00 N ATOM 963 CA ALA A 60 13.608 18.101 -4.166 1.00 0.00 C ATOM 964 C ALA A 60 12.124 18.398 -4.575 1.00 0.00 C ATOM 965 O ALA A 60 11.695 19.549 -4.475 1.00 0.00 O ATOM 966 CB ALA A 60 14.565 18.332 -5.341 1.00 0.00 C ATOM 0 H ALA A 60 13.612 15.992 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 60 13.797 18.802 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.406 19.330 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.595 18.241 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.376 17.589 -6.116 1.00 0.00 H new ATOM 972 N ALA A 61 11.351 17.391 -5.018 1.00 0.00 N ATOM 973 CA ALA A 61 9.930 17.549 -5.390 1.00 0.00 C ATOM 974 C ALA A 61 8.903 17.923 -4.294 1.00 0.00 C ATOM 975 O ALA A 61 7.882 18.507 -4.655 1.00 0.00 O ATOM 976 CB ALA A 61 9.522 16.245 -6.082 1.00 0.00 C ATOM 0 H ALA A 61 11.695 16.437 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 61 9.890 18.438 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.475 16.304 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.143 16.091 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.656 15.410 -5.394 1.00 0.00 H new ATOM 982 N TYR A 62 9.168 17.649 -3.004 1.00 0.00 N ATOM 983 CA TYR A 62 8.307 18.093 -1.870 1.00 0.00 C ATOM 984 C TYR A 62 7.810 19.565 -1.941 1.00 0.00 C ATOM 985 O TYR A 62 6.600 19.770 -1.933 1.00 0.00 O ATOM 986 CB TYR A 62 9.032 17.790 -0.537 1.00 0.00 C ATOM 987 CG TYR A 62 8.214 17.948 0.762 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.043 17.202 0.990 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.664 18.813 1.767 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.348 17.333 2.195 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.967 18.935 2.973 1.00 0.00 C ATOM 992 CZ TYR A 62 6.808 18.194 3.186 1.00 0.00 C ATOM 993 OH TYR A 62 6.110 18.343 4.345 1.00 0.00 O ATOM 0 H TYR A 62 9.984 17.113 -2.708 1.00 0.00 H new ATOM 0 HA TYR A 62 7.384 17.517 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.404 16.766 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.902 18.443 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.680 16.525 0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.561 19.393 1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.446 16.761 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.328 19.605 3.740 1.00 0.00 H new ATOM 0 HH TYR A 62 5.168 18.122 4.190 1.00 0.00 H new ATOM 1003 N THR A 63 8.706 20.549 -2.106 1.00 0.00 N ATOM 1004 CA THR A 63 8.296 21.974 -2.300 1.00 0.00 C ATOM 1005 C THR A 63 7.361 22.280 -3.515 1.00 0.00 C ATOM 1006 O THR A 63 6.408 23.051 -3.366 1.00 0.00 O ATOM 1007 CB THR A 63 9.542 22.890 -2.206 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.127 24.246 -2.077 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.532 22.844 -3.364 1.00 0.00 C ATOM 0 H THR A 63 9.715 20.400 -2.111 1.00 0.00 H new ATOM 0 HA THR A 63 7.622 22.207 -1.476 1.00 0.00 H new ATOM 0 HB THR A 63 10.072 22.497 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.915 24.825 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.354 23.533 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.923 21.832 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.028 23.134 -4.286 1.00 0.00 H new ATOM 1017 N ALA A 64 7.577 21.624 -4.672 1.00 0.00 N ATOM 1018 CA ALA A 64 6.592 21.646 -5.786 1.00 0.00 C ATOM 1019 C ALA A 64 5.253 20.878 -5.518 1.00 0.00 C ATOM 1020 O ALA A 64 4.190 21.369 -5.909 1.00 0.00 O ATOM 1021 CB ALA A 64 7.314 21.113 -7.033 1.00 0.00 C ATOM 0 H ALA A 64 8.415 21.075 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 64 6.257 22.675 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.626 21.111 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.167 21.752 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.661 20.097 -6.846 1.00 0.00 H new ATOM 1027 N TRP A 65 5.326 19.715 -4.861 1.00 0.00 N ATOM 1028 CA TRP A 65 4.165 18.943 -4.363 1.00 0.00 C ATOM 1029 C TRP A 65 3.275 19.626 -3.267 1.00 0.00 C ATOM 1030 O TRP A 65 2.053 19.462 -3.293 1.00 0.00 O ATOM 1031 CB TRP A 65 4.733 17.572 -3.888 1.00 0.00 C ATOM 1032 CG TRP A 65 3.853 16.379 -4.365 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.035 15.641 -5.560 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.698 15.850 -3.789 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.022 14.690 -5.750 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.202 14.839 -4.649 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.007 16.170 -2.586 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.005 14.147 -4.308 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.845 15.475 -2.272 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.347 14.471 -3.126 1.00 0.00 C ATOM 0 H TRP A 65 6.217 19.266 -4.651 1.00 0.00 H new ATOM 0 HA TRP A 65 3.452 18.848 -5.182 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.747 17.449 -4.268 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.797 17.563 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.857 15.793 -6.244 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.915 14.036 -6.526 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.380 16.941 -1.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.613 13.380 -4.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.316 15.708 -1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.558 13.946 -2.859 1.00 0.00 H new ATOM 1051 N LYS A 66 3.869 20.387 -2.338 1.00 0.00 N ATOM 1052 CA LYS A 66 3.139 21.244 -1.368 1.00 0.00 C ATOM 1053 C LYS A 66 2.362 22.470 -1.947 1.00 0.00 C ATOM 1054 O LYS A 66 1.349 22.847 -1.356 1.00 0.00 O ATOM 1055 CB LYS A 66 4.080 21.649 -0.211 1.00 0.00 C ATOM 1056 CG LYS A 66 4.718 20.522 0.623 1.00 0.00 C ATOM 1057 CD LYS A 66 3.795 19.648 1.470 1.00 0.00 C ATOM 1058 CE LYS A 66 3.380 18.310 0.835 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.063 18.413 0.172 1.00 0.00 N ATOM 0 H LYS A 66 4.882 20.432 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 66 2.330 20.613 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.885 22.253 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.519 22.292 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.263 19.869 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.454 20.974 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.290 19.441 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.893 20.217 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.132 18.002 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.343 17.537 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.535 17.528 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.528 19.204 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.199 18.580 -0.845 1.00 0.00 H new ATOM 1073 N ALA A 67 2.749 23.026 -3.107 1.00 0.00 N ATOM 1074 CA ALA A 67 1.832 23.861 -3.922 1.00 0.00 C ATOM 1075 C ALA A 67 0.622 23.108 -4.589 1.00 0.00 C ATOM 1076 O ALA A 67 -0.462 23.690 -4.653 1.00 0.00 O ATOM 1077 CB ALA A 67 2.690 24.587 -4.965 1.00 0.00 C ATOM 0 H ALA A 67 3.682 22.917 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 67 1.333 24.554 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.052 25.214 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.429 25.209 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.200 23.854 -5.590 1.00 0.00 H new ATOM 1083 N LYS A 68 0.787 21.860 -5.078 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.329 21.099 -5.721 1.00 0.00 C ATOM 1085 C LYS A 68 -1.361 20.433 -4.744 1.00 0.00 C ATOM 1086 O LYS A 68 -2.562 20.487 -5.012 1.00 0.00 O ATOM 1087 CB LYS A 68 0.273 20.017 -6.665 1.00 0.00 C ATOM 1088 CG LYS A 68 0.998 20.593 -7.903 1.00 0.00 C ATOM 1089 CD LYS A 68 2.317 19.855 -8.171 1.00 0.00 C ATOM 1090 CE LYS A 68 3.199 20.493 -9.255 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.775 21.780 -8.764 1.00 0.00 N ATOM 0 H LYS A 68 1.672 21.353 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.909 21.844 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.975 19.405 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.527 19.357 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.350 20.513 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.197 21.654 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.885 19.805 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.091 18.829 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.002 19.809 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.610 20.670 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.664 21.977 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.100 22.552 -8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.963 21.709 -7.744 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.900 19.759 -3.683 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.780 19.130 -2.656 1.00 0.00 C ATOM 1107 C HIS A 69 -1.321 19.547 -1.205 1.00 0.00 C ATOM 1108 O HIS A 69 -0.135 19.845 -1.036 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.722 17.594 -2.841 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.950 16.936 -3.493 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.489 15.764 -2.992 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.651 17.307 -4.671 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.486 15.517 -3.891 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.659 16.393 -4.930 1.00 0.00 N ATOM 0 H HIS A 69 0.095 19.627 -3.500 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.807 19.472 -2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.846 17.356 -3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.569 17.138 -1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.431 18.174 -5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.123 14.651 -3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.343 16.377 -5.687 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.177 19.548 -0.139 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.847 20.216 1.178 1.00 0.00 C ATOM 1125 C PRO A 70 -0.678 19.579 1.956 1.00 0.00 C ATOM 1126 O PRO A 70 0.458 19.993 1.718 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.224 20.304 1.881 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.056 19.160 1.259 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.596 19.136 -0.209 1.00 0.00 C ATOM 0 HA PRO A 70 -1.412 21.209 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.126 20.181 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.694 21.273 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.864 18.209 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.126 19.352 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.704 18.143 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.182 19.820 -0.823 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.880 18.545 2.787 1.00 0.00 N ATOM 1138 CA ASP A 71 0.224 17.611 3.171 1.00 0.00 C ATOM 1139 C ASP A 71 -0.149 16.116 2.929 1.00 0.00 C ATOM 1140 O ASP A 71 0.080 15.254 3.778 1.00 0.00 O ATOM 1141 CB ASP A 71 0.715 17.962 4.588 1.00 0.00 C ATOM 1142 CG ASP A 71 2.138 17.473 4.892 1.00 0.00 C ATOM 1143 OD1 ASP A 71 3.046 17.671 4.047 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.361 16.900 5.973 1.00 0.00 O ATOM 0 H ASP A 71 -1.782 18.324 3.209 1.00 0.00 H new ATOM 0 HA ASP A 71 1.080 17.749 2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.678 19.044 4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.029 17.530 5.317 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.676 15.803 1.726 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.175 14.438 1.415 1.00 0.00 C ATOM 1151 C GLU A 72 -0.079 13.332 1.232 1.00 0.00 C ATOM 1152 O GLU A 72 -0.335 12.187 1.597 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.035 14.514 0.122 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.038 13.350 -0.007 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.150 12.768 -1.399 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.175 12.141 -1.866 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.205 12.953 -2.044 1.00 0.00 O ATOM 0 H GLU A 72 -0.768 16.467 0.958 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.746 14.128 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.580 15.458 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.376 14.515 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.746 12.557 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.022 13.699 0.307 1.00 0.00 H new ATOM 1164 N LYS A 73 1.076 13.648 0.619 1.00 0.00 N ATOM 1165 CA LYS A 73 2.232 12.716 0.556 1.00 0.00 C ATOM 1166 C LYS A 73 3.049 12.774 1.875 1.00 0.00 C ATOM 1167 O LYS A 73 3.265 13.858 2.426 1.00 0.00 O ATOM 1168 CB LYS A 73 3.103 13.108 -0.667 1.00 0.00 C ATOM 1169 CG LYS A 73 4.184 12.066 -1.013 1.00 0.00 C ATOM 1170 CD LYS A 73 5.369 12.616 -1.813 1.00 0.00 C ATOM 1171 CE LYS A 73 6.420 13.417 -1.019 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.320 12.547 -0.203 1.00 0.00 N ATOM 0 H LYS A 73 1.240 14.542 0.157 1.00 0.00 H new ATOM 0 HA LYS A 73 1.885 11.689 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.456 13.250 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.584 14.066 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.559 11.630 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.723 11.259 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.872 11.779 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.979 13.255 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.022 14.004 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.911 14.122 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.181 13.074 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.828 12.258 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.577 11.702 -0.752 1.00 0.00 H new ATOM 1186 N PHE A 74 3.541 11.617 2.346 1.00 0.00 N ATOM 1187 CA PHE A 74 4.340 11.563 3.595 1.00 0.00 C ATOM 1188 C PHE A 74 5.708 12.314 3.467 1.00 0.00 C ATOM 1189 O PHE A 74 6.371 12.139 2.433 1.00 0.00 O ATOM 1190 CB PHE A 74 4.549 10.071 3.954 1.00 0.00 C ATOM 1191 CG PHE A 74 4.852 9.822 5.434 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.797 9.659 6.346 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.172 9.792 5.911 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.057 9.487 7.705 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.430 9.622 7.272 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.371 9.468 8.167 1.00 0.00 C ATOM 0 H PHE A 74 3.406 10.713 1.892 1.00 0.00 H new ATOM 0 HA PHE A 74 3.800 12.077 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.654 9.513 3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.369 9.675 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.777 9.667 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.994 9.901 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.239 9.368 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.448 9.610 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.570 9.334 9.220 1.00 0.00 H new ATOM 1206 N PRO A 75 6.178 13.118 4.461 1.00 0.00 N ATOM 1207 CA PRO A 75 7.498 13.830 4.379 1.00 0.00 C ATOM 1208 C PRO A 75 8.739 12.907 4.520 1.00 0.00 C ATOM 1209 O PRO A 75 9.453 12.886 5.525 1.00 0.00 O ATOM 1210 CB PRO A 75 7.349 14.906 5.487 1.00 0.00 C ATOM 1211 CG PRO A 75 6.395 14.274 6.525 1.00 0.00 C ATOM 1212 CD PRO A 75 5.400 13.481 5.667 1.00 0.00 C ATOM 0 HA PRO A 75 7.699 14.258 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.313 15.151 5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.939 15.833 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.930 13.626 7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.892 15.035 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.038 12.596 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.526 14.080 5.413 1.00 0.00 H new ATOM 1220 N ALA A 76 8.975 12.152 3.439 1.00 0.00 N ATOM 1221 CA ALA A 76 10.035 11.132 3.380 1.00 0.00 C ATOM 1222 C ALA A 76 11.351 11.689 2.769 1.00 0.00 C ATOM 1223 O ALA A 76 11.371 12.247 1.666 1.00 0.00 O ATOM 1224 CB ALA A 76 9.484 9.976 2.531 1.00 0.00 C ATOM 0 H ALA A 76 8.435 12.230 2.577 1.00 0.00 H new ATOM 0 HA ALA A 76 10.292 10.800 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.235 9.190 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.585 9.576 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.240 10.341 1.533 1.00 0.00 H new ATOM 1230 N PHE A 77 12.436 11.485 3.514 1.00 0.00 N ATOM 1231 CA PHE A 77 13.813 11.821 3.080 1.00 0.00 C ATOM 1232 C PHE A 77 14.568 10.599 2.445 1.00 0.00 C ATOM 1233 O PHE A 77 14.186 9.454 2.720 1.00 0.00 O ATOM 1234 CB PHE A 77 14.547 12.415 4.323 1.00 0.00 C ATOM 1235 CG PHE A 77 14.886 11.437 5.467 1.00 0.00 C ATOM 1236 CD1 PHE A 77 13.960 11.171 6.491 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.113 10.757 5.479 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.250 10.234 7.486 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.402 9.820 6.473 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.468 9.559 7.473 1.00 0.00 C ATOM 0 H PHE A 77 12.395 11.078 4.448 1.00 0.00 H new ATOM 0 HA PHE A 77 13.787 12.555 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.475 12.873 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.929 13.214 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.016 11.696 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.843 10.961 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.530 10.033 8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.348 9.299 6.467 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.689 8.831 8.240 1.00 0.00 H new ATOM 1250 N PRO A 78 15.667 10.761 1.661 1.00 0.00 N ATOM 1251 CA PRO A 78 16.492 9.600 1.189 1.00 0.00 C ATOM 1252 C PRO A 78 17.403 9.004 2.297 1.00 0.00 C ATOM 1253 O PRO A 78 18.412 9.601 2.686 1.00 0.00 O ATOM 1254 CB PRO A 78 17.267 10.227 0.000 1.00 0.00 C ATOM 1255 CG PRO A 78 17.439 11.712 0.395 1.00 0.00 C ATOM 1256 CD PRO A 78 16.126 12.058 1.117 1.00 0.00 C ATOM 0 HA PRO A 78 15.904 8.728 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.231 9.740 -0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.713 10.125 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.302 11.855 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.592 12.343 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.286 12.789 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.394 12.486 0.432 1.00 0.00 H new ATOM 1264 N GLY A 79 17.012 7.823 2.798 1.00 0.00 N ATOM 1265 CA GLY A 79 17.714 7.148 3.906 1.00 0.00 C ATOM 1266 C GLY A 79 17.839 5.651 3.656 1.00 0.00 C ATOM 1267 O GLY A 79 17.247 4.810 4.325 1.00 0.00 O ATOM 0 H GLY A 79 16.203 7.308 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.706 7.582 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.175 7.319 4.838 1.00 0.00 H new