USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=16 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 34 TYR OH : rot 30:sc= 0.78 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.269) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 SER OG : rot 36:sc= 0.491 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.33 K(o=1.3,f=-3.4!) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.978) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -27:sc= 0.0547 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 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 44 SER OG : rot 41:sc= 0.105 USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 1.7 (180deg=-0.0649) USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= 0.369 (180deg=0.0833) USER MOD Single : A 59 THR OG1 : rot 54:sc= 0.262 USER MOD Single : A 62 TYR OH : rot -30:sc= 0.29 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1.54 (180deg=1.5) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 1.07 (180deg=0.919) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.214 12.234 -0.870 1.00 0.00 N ATOM 53 CA LYS A 4 -6.569 11.631 0.452 1.00 0.00 C ATOM 54 C LYS A 4 -5.317 10.959 1.147 1.00 0.00 C ATOM 55 O LYS A 4 -4.401 10.459 0.477 1.00 0.00 O ATOM 56 CB LYS A 4 -7.696 10.564 0.290 1.00 0.00 C ATOM 57 CG LYS A 4 -9.089 11.156 0.008 1.00 0.00 C ATOM 58 CD LYS A 4 -10.215 10.109 -0.097 1.00 0.00 C ATOM 59 CE LYS A 4 -10.669 9.533 1.254 1.00 0.00 C ATOM 60 NZ LYS A 4 -11.803 8.585 1.044 1.00 0.00 N ATOM 0 HA LYS A 4 -6.923 12.445 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.428 9.890 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.746 9.963 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.338 11.862 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.048 11.723 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.073 10.563 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.877 9.291 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.838 9.019 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.976 10.340 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.106 8.198 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.598 9.088 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.496 7.808 0.425 1.00 0.00 H new ATOM 74 N GLN A 5 -5.313 10.971 2.492 1.00 0.00 N ATOM 75 CA GLN A 5 -4.111 10.635 3.316 1.00 0.00 C ATOM 76 C GLN A 5 -3.647 9.141 3.294 1.00 0.00 C ATOM 77 O GLN A 5 -4.231 8.274 2.637 1.00 0.00 O ATOM 78 CB GLN A 5 -4.330 11.217 4.747 1.00 0.00 C ATOM 79 CG GLN A 5 -3.303 12.297 5.186 1.00 0.00 C ATOM 80 CD GLN A 5 -1.893 11.834 5.518 1.00 0.00 C ATOM 81 OE1 GLN A 5 -1.655 10.713 5.953 1.00 0.00 O ATOM 82 NE2 GLN A 5 -0.887 12.655 5.351 1.00 0.00 N ATOM 0 H GLN A 5 -6.134 11.211 3.048 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.249 11.110 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.330 11.648 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.300 10.397 5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.234 13.039 4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.705 12.806 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.050 13.595 4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.060 12.354 5.581 1.00 0.00 H new ATOM 91 N LYS A 6 -2.498 8.880 3.932 1.00 0.00 N ATOM 92 CA LYS A 6 -1.700 7.653 3.717 1.00 0.00 C ATOM 93 C LYS A 6 -2.220 6.443 4.543 1.00 0.00 C ATOM 94 O LYS A 6 -2.471 6.555 5.746 1.00 0.00 O ATOM 95 CB LYS A 6 -0.199 7.888 4.022 1.00 0.00 C ATOM 96 CG LYS A 6 0.512 9.082 3.391 1.00 0.00 C ATOM 97 CD LYS A 6 0.765 9.156 1.888 1.00 0.00 C ATOM 98 CE LYS A 6 -0.484 9.343 1.023 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.145 10.063 -0.222 1.00 0.00 N ATOM 0 H LYS A 6 -2.089 9.515 4.617 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.815 7.408 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.094 7.978 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.341 6.989 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.060 9.970 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.482 9.168 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.450 9.981 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.270 8.242 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.917 8.372 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.239 9.899 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.957 10.035 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.086 11.052 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.675 9.609 -0.673 1.00 0.00 H new ATOM 113 N SER A 7 -2.373 5.294 3.877 1.00 0.00 N ATOM 114 CA SER A 7 -2.810 4.041 4.541 1.00 0.00 C ATOM 115 C SER A 7 -1.747 2.951 4.266 1.00 0.00 C ATOM 116 O SER A 7 -1.689 2.430 3.150 1.00 0.00 O ATOM 117 CB SER A 7 -4.204 3.644 3.999 1.00 0.00 C ATOM 118 OG SER A 7 -5.173 4.651 4.288 1.00 0.00 O ATOM 0 H SER A 7 -2.203 5.196 2.876 1.00 0.00 H new ATOM 0 HA SER A 7 -2.899 4.170 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.148 3.487 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.514 2.698 4.443 1.00 0.00 H new ATOM 0 HG SER A 7 -6.045 4.377 3.934 1.00 0.00 H new ATOM 124 N GLU A 8 -0.908 2.647 5.268 1.00 0.00 N ATOM 125 CA GLU A 8 0.166 1.626 5.140 1.00 0.00 C ATOM 126 C GLU A 8 -0.201 0.375 6.000 1.00 0.00 C ATOM 127 O GLU A 8 -0.034 0.384 7.224 1.00 0.00 O ATOM 128 CB GLU A 8 1.561 2.210 5.496 1.00 0.00 C ATOM 129 CG GLU A 8 2.009 3.365 4.572 1.00 0.00 C ATOM 130 CD GLU A 8 3.508 3.570 4.476 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.176 2.786 3.769 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.039 4.547 5.043 1.00 0.00 O ATOM 0 H GLU A 8 -0.946 3.092 6.185 1.00 0.00 H new ATOM 0 HA GLU A 8 0.237 1.312 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.543 2.567 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.301 1.412 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.619 3.181 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.554 4.290 4.926 1.00 0.00 H new ATOM 139 N ILE A 9 -0.747 -0.682 5.367 1.00 0.00 N ATOM 140 CA ILE A 9 -1.276 -1.878 6.092 1.00 0.00 C ATOM 141 C ILE A 9 -0.233 -3.047 5.996 1.00 0.00 C ATOM 142 O ILE A 9 0.406 -3.296 4.968 1.00 0.00 O ATOM 143 CB ILE A 9 -2.715 -2.266 5.592 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.806 -1.220 5.964 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.199 -3.648 6.094 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.008 -0.137 4.906 1.00 0.00 C ATOM 0 H ILE A 9 -0.838 -0.742 4.353 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.402 -1.643 7.149 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.594 -2.298 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.752 -1.737 6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.536 -0.747 6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.199 -3.846 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.516 -4.422 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.224 -3.651 7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.783 0.554 5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.075 0.407 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.310 -0.599 3.966 1.00 0.00 H new ATOM 158 N THR A 10 -0.132 -3.780 7.111 1.00 0.00 N ATOM 159 CA THR A 10 0.733 -4.980 7.254 1.00 0.00 C ATOM 160 C THR A 10 0.278 -6.203 6.399 1.00 0.00 C ATOM 161 O THR A 10 -0.867 -6.301 5.945 1.00 0.00 O ATOM 162 CB THR A 10 0.733 -5.270 8.793 1.00 0.00 C ATOM 163 OG1 THR A 10 1.255 -4.152 9.514 1.00 0.00 O ATOM 164 CG2 THR A 10 1.567 -6.442 9.283 1.00 0.00 C ATOM 0 H THR A 10 -0.654 -3.561 7.960 1.00 0.00 H new ATOM 0 HA THR A 10 1.735 -4.795 6.866 1.00 0.00 H new ATOM 0 HB THR A 10 -0.318 -5.496 8.972 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.246 -4.349 10.474 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.475 -6.527 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.213 -7.361 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.612 -6.280 9.019 1.00 0.00 H new ATOM 172 N ALA A 11 1.209 -7.145 6.183 1.00 0.00 N ATOM 173 CA ALA A 11 0.970 -8.346 5.362 1.00 0.00 C ATOM 174 C ALA A 11 -0.128 -9.329 5.855 1.00 0.00 C ATOM 175 O ALA A 11 -0.137 -9.767 7.008 1.00 0.00 O ATOM 176 CB ALA A 11 2.319 -9.077 5.226 1.00 0.00 C ATOM 0 H ALA A 11 2.151 -7.097 6.572 1.00 0.00 H new ATOM 0 HA ALA A 11 0.569 -7.992 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.187 -9.975 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.042 -8.419 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.684 -9.354 6.215 1.00 0.00 H new ATOM 382 N SER A 24 2.579 -15.005 2.075 1.00 0.00 N ATOM 383 CA SER A 24 2.820 -13.975 1.046 1.00 0.00 C ATOM 384 C SER A 24 3.359 -12.641 1.612 1.00 0.00 C ATOM 385 O SER A 24 2.871 -12.129 2.625 1.00 0.00 O ATOM 386 CB SER A 24 1.505 -13.754 0.250 1.00 0.00 C ATOM 387 OG SER A 24 0.378 -13.417 1.061 1.00 0.00 O ATOM 0 HA SER A 24 3.609 -14.341 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.664 -12.959 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.277 -14.660 -0.311 1.00 0.00 H new ATOM 0 HG SER A 24 0.499 -13.788 1.960 1.00 0.00 H new ATOM 393 N LYS A 25 4.343 -12.054 0.911 1.00 0.00 N ATOM 394 CA LYS A 25 4.832 -10.683 1.223 1.00 0.00 C ATOM 395 C LYS A 25 3.803 -9.631 0.690 1.00 0.00 C ATOM 396 O LYS A 25 3.824 -9.231 -0.477 1.00 0.00 O ATOM 397 CB LYS A 25 6.244 -10.467 0.633 1.00 0.00 C ATOM 398 CG LYS A 25 7.446 -10.946 1.468 1.00 0.00 C ATOM 399 CD LYS A 25 7.536 -12.448 1.784 1.00 0.00 C ATOM 400 CE LYS A 25 7.026 -12.804 3.190 1.00 0.00 C ATOM 401 NZ LYS A 25 7.041 -14.279 3.373 1.00 0.00 N ATOM 0 H LYS A 25 4.820 -12.498 0.126 1.00 0.00 H new ATOM 0 HA LYS A 25 4.916 -10.557 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.285 -10.969 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.370 -9.401 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.357 -10.657 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.437 -10.403 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.959 -13.003 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.573 -12.771 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.652 -12.328 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.015 -12.422 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.695 -14.514 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.426 -14.723 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.012 -14.633 3.260 1.00 0.00 H new ATOM 415 N ALA A 26 2.877 -9.251 1.575 1.00 0.00 N ATOM 416 CA ALA A 26 1.724 -8.401 1.232 1.00 0.00 C ATOM 417 C ALA A 26 1.899 -6.973 1.791 1.00 0.00 C ATOM 418 O ALA A 26 2.289 -6.770 2.945 1.00 0.00 O ATOM 419 CB ALA A 26 0.474 -9.114 1.758 1.00 0.00 C ATOM 0 H ALA A 26 2.903 -9.524 2.557 1.00 0.00 H new ATOM 0 HA ALA A 26 1.632 -8.266 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.409 -8.519 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.387 -10.092 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.554 -9.239 2.838 1.00 0.00 H new ATOM 425 N LYS A 27 1.652 -5.980 0.935 1.00 0.00 N ATOM 426 CA LYS A 27 1.904 -4.559 1.279 1.00 0.00 C ATOM 427 C LYS A 27 0.853 -3.640 0.600 1.00 0.00 C ATOM 428 O LYS A 27 0.617 -3.722 -0.612 1.00 0.00 O ATOM 429 CB LYS A 27 3.353 -4.187 0.889 1.00 0.00 C ATOM 430 CG LYS A 27 4.379 -4.365 2.031 1.00 0.00 C ATOM 431 CD LYS A 27 5.301 -5.576 1.844 1.00 0.00 C ATOM 432 CE LYS A 27 5.845 -6.184 3.151 1.00 0.00 C ATOM 433 NZ LYS A 27 6.678 -5.226 3.936 1.00 0.00 N ATOM 0 H LYS A 27 1.278 -6.122 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 27 1.799 -4.413 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.659 -4.800 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.373 -3.150 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.987 -3.464 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.845 -4.468 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.757 -6.348 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.144 -5.280 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.009 -6.519 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.440 -7.066 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.016 -5.690 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.493 -4.925 3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.106 -4.395 4.188 1.00 0.00 H new ATOM 447 N ARG A 28 0.210 -2.789 1.412 1.00 0.00 N ATOM 448 CA ARG A 28 -0.913 -1.932 0.960 1.00 0.00 C ATOM 449 C ARG A 28 -0.544 -0.465 1.326 1.00 0.00 C ATOM 450 O ARG A 28 -0.593 -0.126 2.507 1.00 0.00 O ATOM 451 CB ARG A 28 -2.283 -2.335 1.591 1.00 0.00 C ATOM 452 CG ARG A 28 -2.547 -3.844 1.747 1.00 0.00 C ATOM 453 CD ARG A 28 -3.936 -4.184 2.303 1.00 0.00 C ATOM 454 NE ARG A 28 -4.154 -5.643 2.105 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.310 -6.282 2.249 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.401 -5.717 2.697 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.362 -7.544 1.928 1.00 0.00 N ATOM 0 H ARG A 28 0.447 -2.670 2.397 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.046 -2.053 -0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.355 -1.872 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.079 -1.910 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.429 -4.325 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.790 -4.268 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.999 -3.927 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.706 -3.608 1.789 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.344 -6.202 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.394 -4.731 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.259 -6.262 2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.529 -8.016 1.577 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.236 -8.060 2.028 1.00 0.00 H new ATOM 471 N GLU A 29 -0.143 0.358 0.346 1.00 0.00 N ATOM 472 CA GLU A 29 0.431 1.704 0.615 1.00 0.00 C ATOM 473 C GLU A 29 -0.138 2.757 -0.384 1.00 0.00 C ATOM 474 O GLU A 29 -0.314 2.478 -1.580 1.00 0.00 O ATOM 475 CB GLU A 29 1.982 1.758 0.496 1.00 0.00 C ATOM 476 CG GLU A 29 2.770 0.945 1.527 1.00 0.00 C ATOM 477 CD GLU A 29 3.020 -0.500 1.177 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.254 -0.814 -0.015 1.00 0.00 O ATOM 479 OE2 GLU A 29 2.987 -1.337 2.103 1.00 0.00 O ATOM 0 H GLU A 29 -0.202 0.123 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 29 0.149 1.927 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.261 1.411 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.295 2.800 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.732 1.432 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.234 0.981 2.476 1.00 0.00 H new ATOM 486 N ALA A 30 -0.347 3.984 0.114 1.00 0.00 N ATOM 487 CA ALA A 30 -0.682 5.145 -0.732 1.00 0.00 C ATOM 488 C ALA A 30 0.554 6.033 -1.086 1.00 0.00 C ATOM 489 O ALA A 30 1.000 6.769 -0.205 1.00 0.00 O ATOM 490 CB ALA A 30 -1.721 5.936 0.075 1.00 0.00 C ATOM 0 H ALA A 30 -0.290 4.202 1.109 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.060 4.816 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.023 6.819 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.592 5.308 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.286 6.243 1.026 1.00 0.00 H new ATOM 496 N PRO A 31 1.108 6.061 -2.327 1.00 0.00 N ATOM 497 CA PRO A 31 2.253 6.970 -2.675 1.00 0.00 C ATOM 498 C PRO A 31 1.807 8.421 -2.979 1.00 0.00 C ATOM 499 O PRO A 31 1.759 9.234 -2.052 1.00 0.00 O ATOM 500 CB PRO A 31 2.966 6.164 -3.785 1.00 0.00 C ATOM 501 CG PRO A 31 1.834 5.391 -4.495 1.00 0.00 C ATOM 502 CD PRO A 31 0.846 5.046 -3.369 1.00 0.00 C ATOM 0 HA PRO A 31 2.950 7.194 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.491 6.822 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.708 5.484 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.361 5.998 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.211 4.492 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.186 5.092 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.011 4.037 -2.991 1.00 0.00 H new ATOM 510 N ILE A 32 1.455 8.759 -4.227 1.00 0.00 N ATOM 511 CA ILE A 32 1.144 10.157 -4.637 1.00 0.00 C ATOM 512 C ILE A 32 -0.126 10.183 -5.548 1.00 0.00 C ATOM 513 O ILE A 32 -0.204 9.462 -6.547 1.00 0.00 O ATOM 514 CB ILE A 32 2.354 10.893 -5.341 1.00 0.00 C ATOM 515 CG1 ILE A 32 2.955 10.142 -6.543 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.389 11.311 -4.282 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.162 10.786 -7.213 1.00 0.00 C ATOM 0 H ILE A 32 1.375 8.082 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 32 0.947 10.713 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 32 1.959 11.795 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.241 9.143 -6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.174 10.019 -7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.222 11.818 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.923 11.986 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.756 10.426 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.492 10.163 -8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.888 11.773 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.971 10.884 -6.489 1.00 0.00 H new ATOM 529 N LYS A 33 -1.088 11.068 -5.238 1.00 0.00 N ATOM 530 CA LYS A 33 -2.264 11.314 -6.135 1.00 0.00 C ATOM 531 C LYS A 33 -2.009 12.240 -7.383 1.00 0.00 C ATOM 532 O LYS A 33 -2.849 12.279 -8.282 1.00 0.00 O ATOM 533 CB LYS A 33 -3.425 11.852 -5.256 1.00 0.00 C ATOM 534 CG LYS A 33 -4.854 11.591 -5.790 1.00 0.00 C ATOM 535 CD LYS A 33 -5.273 10.114 -5.706 1.00 0.00 C ATOM 536 CE LYS A 33 -6.774 9.862 -5.478 1.00 0.00 C ATOM 537 NZ LYS A 33 -7.174 10.093 -4.059 1.00 0.00 N ATOM 0 H LYS A 33 -1.089 11.627 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.510 10.358 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.341 11.406 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.294 12.927 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.562 12.195 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.913 11.920 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.975 9.617 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.716 9.642 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.354 10.517 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.016 8.837 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.192 9.912 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.641 9.451 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.968 11.078 -3.796 1.00 0.00 H new ATOM 551 N TYR A 34 -0.877 12.965 -7.435 1.00 0.00 N ATOM 552 CA TYR A 34 -0.453 13.731 -8.643 1.00 0.00 C ATOM 553 C TYR A 34 -0.060 12.858 -9.880 1.00 0.00 C ATOM 554 O TYR A 34 -0.533 13.154 -10.978 1.00 0.00 O ATOM 555 CB TYR A 34 0.673 14.692 -8.190 1.00 0.00 C ATOM 556 CG TYR A 34 1.064 15.799 -9.179 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.135 16.767 -9.598 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.377 15.881 -9.663 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.502 17.765 -10.506 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.747 16.881 -10.565 1.00 0.00 C ATOM 561 CZ TYR A 34 1.806 17.817 -10.990 1.00 0.00 C ATOM 562 OH TYR A 34 2.178 18.813 -11.846 1.00 0.00 O ATOM 0 H TYR A 34 -0.228 13.043 -6.652 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.309 14.286 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.366 15.162 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.561 14.099 -7.972 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.874 16.740 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.112 15.161 -9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.225 18.494 -10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.761 16.929 -10.933 1.00 0.00 H new ATOM 0 HH TYR A 34 1.650 19.617 -11.661 1.00 0.00 H new ATOM 572 N TRP A 35 0.765 11.811 -9.710 1.00 0.00 N ATOM 573 CA TRP A 35 1.031 10.824 -10.789 1.00 0.00 C ATOM 574 C TRP A 35 -0.082 9.727 -10.925 1.00 0.00 C ATOM 575 O TRP A 35 -0.513 9.469 -12.051 1.00 0.00 O ATOM 576 CB TRP A 35 2.405 10.145 -10.587 1.00 0.00 C ATOM 577 CG TRP A 35 3.686 10.990 -10.896 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.880 12.405 -10.821 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.939 10.490 -11.260 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.202 12.778 -11.116 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.839 11.585 -11.388 1.00 0.00 C ATOM 582 CE3 TRP A 35 5.400 9.155 -11.512 1.00 0.00 C ATOM 583 CZ2 TRP A 35 7.193 11.352 -11.769 1.00 0.00 C ATOM 584 CZ3 TRP A 35 6.725 8.962 -11.889 1.00 0.00 C ATOM 585 CH2 TRP A 35 7.612 10.046 -12.013 1.00 0.00 C ATOM 0 H TRP A 35 1.262 11.620 -8.840 1.00 0.00 H new ATOM 0 HA TRP A 35 1.031 11.396 -11.717 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.465 9.811 -9.551 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.433 9.252 -11.212 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.099 13.107 -10.567 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.600 13.717 -11.127 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.730 8.314 -11.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.884 12.176 -11.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.079 7.962 -12.090 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.636 9.863 -12.303 1.00 0.00 H new ATOM 596 N LEU A 36 -0.500 9.058 -9.833 1.00 0.00 N ATOM 597 CA LEU A 36 -1.409 7.888 -9.918 1.00 0.00 C ATOM 598 C LEU A 36 -2.866 8.264 -9.483 1.00 0.00 C ATOM 599 O LEU A 36 -3.021 8.845 -8.403 1.00 0.00 O ATOM 600 CB LEU A 36 -0.880 6.733 -9.021 1.00 0.00 C ATOM 601 CG LEU A 36 0.493 6.126 -9.401 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.882 5.074 -8.350 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.511 5.473 -10.785 1.00 0.00 C ATOM 0 H LEU A 36 -0.226 9.304 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.435 7.562 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.817 7.100 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.619 5.932 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 36 1.206 6.950 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.848 4.641 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.947 5.546 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.127 4.288 -8.325 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.504 5.070 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.221 4.666 -10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.263 6.217 -11.542 1.00 0.00 H new ATOM 615 N PRO A 37 -3.960 7.916 -10.216 1.00 0.00 N ATOM 616 CA PRO A 37 -5.354 8.241 -9.768 1.00 0.00 C ATOM 617 C PRO A 37 -5.924 7.496 -8.525 1.00 0.00 C ATOM 618 O PRO A 37 -6.935 7.947 -7.984 1.00 0.00 O ATOM 619 CB PRO A 37 -6.179 7.997 -11.058 1.00 0.00 C ATOM 620 CG PRO A 37 -5.393 6.910 -11.822 1.00 0.00 C ATOM 621 CD PRO A 37 -3.921 7.255 -11.538 1.00 0.00 C ATOM 0 HA PRO A 37 -5.391 9.256 -9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.191 7.665 -10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.271 8.909 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.645 5.910 -11.468 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.611 6.934 -12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.297 6.361 -11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.510 7.914 -12.303 1.00 0.00 H new ATOM 629 N HIS A 38 -5.291 6.406 -8.054 1.00 0.00 N ATOM 630 CA HIS A 38 -5.665 5.724 -6.794 1.00 0.00 C ATOM 631 C HIS A 38 -4.430 5.618 -5.843 1.00 0.00 C ATOM 632 O HIS A 38 -3.571 4.749 -6.016 1.00 0.00 O ATOM 633 CB HIS A 38 -6.246 4.349 -7.203 1.00 0.00 C ATOM 634 CG HIS A 38 -6.945 3.599 -6.059 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.277 2.722 -5.222 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.302 3.683 -5.663 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.285 2.341 -4.377 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.532 2.874 -4.566 1.00 0.00 N ATOM 0 H HIS A 38 -4.504 5.970 -8.535 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.412 6.279 -6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.957 4.494 -8.016 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.440 3.727 -7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.050 4.292 -6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.101 1.636 -3.580 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.393 2.717 -4.042 1.00 0.00 H new ATOM 647 N SER A 39 -4.388 6.462 -4.801 1.00 0.00 N ATOM 648 CA SER A 39 -3.398 6.331 -3.699 1.00 0.00 C ATOM 649 C SER A 39 -3.865 5.299 -2.629 1.00 0.00 C ATOM 650 O SER A 39 -4.612 5.643 -1.708 1.00 0.00 O ATOM 651 CB SER A 39 -3.125 7.738 -3.097 1.00 0.00 C ATOM 652 OG SER A 39 -4.270 8.324 -2.471 1.00 0.00 O ATOM 0 H SER A 39 -5.027 7.249 -4.690 1.00 0.00 H new ATOM 0 HA SER A 39 -2.461 5.938 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.321 7.661 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.774 8.401 -3.888 1.00 0.00 H new ATOM 0 HG SER A 39 -4.795 7.624 -2.030 1.00 0.00 H new ATOM 658 N GLY A 40 -3.401 4.051 -2.780 1.00 0.00 N ATOM 659 CA GLY A 40 -3.673 2.959 -1.822 1.00 0.00 C ATOM 660 C GLY A 40 -3.762 1.593 -2.515 1.00 0.00 C ATOM 661 O GLY A 40 -4.870 1.115 -2.764 1.00 0.00 O ATOM 0 H GLY A 40 -2.824 3.765 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.885 2.933 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.607 3.161 -1.298 1.00 0.00 H new ATOM 665 N ALA A 41 -2.614 0.984 -2.849 1.00 0.00 N ATOM 666 CA ALA A 41 -2.576 -0.229 -3.703 1.00 0.00 C ATOM 667 C ALA A 41 -2.031 -1.474 -2.951 1.00 0.00 C ATOM 668 O ALA A 41 -0.870 -1.498 -2.528 1.00 0.00 O ATOM 669 CB ALA A 41 -1.719 0.106 -4.936 1.00 0.00 C ATOM 0 H ALA A 41 -1.696 1.306 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.590 -0.497 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.667 -0.764 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.168 0.940 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.714 0.380 -4.617 1.00 0.00 H new ATOM 675 N THR A 42 -2.868 -2.514 -2.827 1.00 0.00 N ATOM 676 CA THR A 42 -2.449 -3.838 -2.297 1.00 0.00 C ATOM 677 C THR A 42 -1.655 -4.678 -3.333 1.00 0.00 C ATOM 678 O THR A 42 -2.184 -5.023 -4.393 1.00 0.00 O ATOM 679 CB THR A 42 -3.672 -4.601 -1.705 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.235 -5.816 -1.094 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.807 -4.987 -2.642 1.00 0.00 C ATOM 0 H THR A 42 -3.853 -2.471 -3.088 1.00 0.00 H new ATOM 0 HA THR A 42 -1.747 -3.661 -1.482 1.00 0.00 H new ATOM 0 HB THR A 42 -4.087 -3.861 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.007 -6.291 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.581 -5.510 -2.080 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.230 -4.088 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.425 -5.639 -3.427 1.00 0.00 H new ATOM 689 N TRP A 43 -0.408 -5.046 -3.005 1.00 0.00 N ATOM 690 CA TRP A 43 0.322 -6.108 -3.745 1.00 0.00 C ATOM 691 C TRP A 43 0.528 -7.320 -2.788 1.00 0.00 C ATOM 692 O TRP A 43 1.405 -7.266 -1.922 1.00 0.00 O ATOM 693 CB TRP A 43 1.645 -5.529 -4.288 1.00 0.00 C ATOM 694 CG TRP A 43 2.340 -6.402 -5.401 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.459 -7.825 -5.466 1.00 0.00 C ATOM 696 CD2 TRP A 43 3.016 -5.954 -6.542 1.00 0.00 C ATOM 697 NE1 TRP A 43 3.161 -8.254 -6.599 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.516 -7.089 -7.238 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.271 -4.642 -7.049 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.308 -6.917 -8.407 1.00 0.00 C ATOM 701 CZ3 TRP A 43 4.048 -4.501 -8.196 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.570 -5.627 -8.861 1.00 0.00 C ATOM 0 H TRP A 43 0.121 -4.632 -2.238 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.243 -6.462 -4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.452 -4.536 -4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.339 -5.405 -3.457 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.052 -8.495 -4.723 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.363 -9.212 -6.885 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.867 -3.773 -6.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.700 -7.774 -8.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.253 -3.513 -8.581 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.184 -5.488 -9.738 1.00 0.00 H new ATOM 713 N SER A 44 -0.248 -8.405 -2.958 1.00 0.00 N ATOM 714 CA SER A 44 -0.034 -9.675 -2.210 1.00 0.00 C ATOM 715 C SER A 44 0.844 -10.686 -3.000 1.00 0.00 C ATOM 716 O SER A 44 0.344 -11.472 -3.808 1.00 0.00 O ATOM 717 CB SER A 44 -1.402 -10.261 -1.755 1.00 0.00 C ATOM 718 OG SER A 44 -2.300 -10.543 -2.829 1.00 0.00 O ATOM 0 H SER A 44 -1.034 -8.436 -3.607 1.00 0.00 H new ATOM 0 HA SER A 44 0.540 -9.457 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.224 -11.178 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.878 -9.557 -1.072 1.00 0.00 H new ATOM 0 HG SER A 44 -1.803 -10.937 -3.576 1.00 0.00 H new ATOM 724 N GLY A 45 2.171 -10.656 -2.773 1.00 0.00 N ATOM 725 CA GLY A 45 3.107 -11.548 -3.499 1.00 0.00 C ATOM 726 C GLY A 45 4.569 -11.089 -3.439 1.00 0.00 C ATOM 727 O GLY A 45 5.340 -11.591 -2.620 1.00 0.00 O ATOM 0 H GLY A 45 2.619 -10.033 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.034 -12.553 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.798 -11.612 -4.542 1.00 0.00 H new ATOM 731 N ARG A 46 4.939 -10.151 -4.321 1.00 0.00 N ATOM 732 CA ARG A 46 6.299 -9.533 -4.332 1.00 0.00 C ATOM 733 C ARG A 46 6.451 -8.460 -3.217 1.00 0.00 C ATOM 734 O ARG A 46 5.495 -7.753 -2.878 1.00 0.00 O ATOM 735 CB ARG A 46 6.488 -8.943 -5.762 1.00 0.00 C ATOM 736 CG ARG A 46 7.902 -8.493 -6.172 1.00 0.00 C ATOM 737 CD ARG A 46 8.256 -7.028 -5.875 1.00 0.00 C ATOM 738 NE ARG A 46 7.880 -6.119 -6.986 1.00 0.00 N ATOM 739 CZ ARG A 46 8.211 -4.831 -7.058 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.843 -4.185 -6.106 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.895 -4.174 -8.134 1.00 0.00 N ATOM 0 H ARG A 46 4.319 -9.792 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 46 7.074 -10.268 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.154 -9.692 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.822 -8.086 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.626 -9.131 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.020 -8.665 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.749 -6.712 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.327 -6.946 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 46 7.328 -6.509 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.109 -4.671 -5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.068 -3.197 -6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.406 -4.646 -8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.136 -3.186 -8.218 1.00 0.00 H new ATOM 755 N GLY A 47 7.684 -8.283 -2.705 1.00 0.00 N ATOM 756 CA GLY A 47 8.010 -7.159 -1.790 1.00 0.00 C ATOM 757 C GLY A 47 8.000 -5.752 -2.426 1.00 0.00 C ATOM 758 O GLY A 47 9.043 -5.160 -2.703 1.00 0.00 O ATOM 0 H GLY A 47 8.472 -8.899 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.299 -7.169 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.997 -7.337 -1.363 1.00 0.00 H new ATOM 762 N LYS A 48 6.788 -5.239 -2.633 1.00 0.00 N ATOM 763 CA LYS A 48 6.537 -3.834 -3.030 1.00 0.00 C ATOM 764 C LYS A 48 6.439 -2.965 -1.753 1.00 0.00 C ATOM 765 O LYS A 48 5.492 -3.088 -0.978 1.00 0.00 O ATOM 766 CB LYS A 48 5.281 -3.864 -3.936 1.00 0.00 C ATOM 767 CG LYS A 48 4.602 -2.524 -4.296 1.00 0.00 C ATOM 768 CD LYS A 48 3.501 -2.142 -3.288 1.00 0.00 C ATOM 769 CE LYS A 48 2.479 -1.132 -3.813 1.00 0.00 C ATOM 770 NZ LYS A 48 1.732 -0.581 -2.648 1.00 0.00 N ATOM 0 H LYS A 48 5.934 -5.787 -2.531 1.00 0.00 H new ATOM 0 HA LYS A 48 7.338 -3.372 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.556 -4.358 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.536 -4.493 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.353 -1.735 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.170 -2.594 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.975 -3.047 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.971 -1.732 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.980 -0.331 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.794 -1.612 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.491 0.414 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.859 -1.128 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.324 -0.644 -1.795 1.00 0.00 H new ATOM 784 N ILE A 49 7.427 -2.092 -1.544 1.00 0.00 N ATOM 785 CA ILE A 49 7.368 -1.040 -0.496 1.00 0.00 C ATOM 786 C ILE A 49 7.748 0.283 -1.257 1.00 0.00 C ATOM 787 O ILE A 49 8.915 0.395 -1.658 1.00 0.00 O ATOM 788 CB ILE A 49 8.344 -1.289 0.711 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.148 -2.644 1.450 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.158 -0.166 1.776 1.00 0.00 C ATOM 791 CD1 ILE A 49 8.943 -3.808 0.863 1.00 0.00 C ATOM 0 H ILE A 49 8.291 -2.084 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 49 6.381 -1.012 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 49 9.338 -1.298 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.432 -2.518 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.089 -2.901 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.836 -0.341 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.379 0.802 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.129 -0.173 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.746 -4.711 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.644 -3.967 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.008 -3.578 0.902 1.00 0.00 H new ATOM 803 N PRO A 50 6.878 1.307 -1.462 1.00 0.00 N ATOM 804 CA PRO A 50 7.275 2.552 -2.208 1.00 0.00 C ATOM 805 C PRO A 50 8.080 3.623 -1.422 1.00 0.00 C ATOM 806 O PRO A 50 7.931 4.819 -1.663 1.00 0.00 O ATOM 807 CB PRO A 50 5.886 3.040 -2.701 1.00 0.00 C ATOM 808 CG PRO A 50 4.933 2.666 -1.541 1.00 0.00 C ATOM 809 CD PRO A 50 5.460 1.301 -1.058 1.00 0.00 C ATOM 0 HA PRO A 50 8.007 2.350 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.883 4.113 -2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.596 2.550 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.961 3.410 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.899 2.599 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.352 1.190 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.916 0.477 -1.519 1.00 0.00 H new ATOM 817 N LYS A 51 9.010 3.177 -0.571 1.00 0.00 N ATOM 818 CA LYS A 51 10.002 4.050 0.092 1.00 0.00 C ATOM 819 C LYS A 51 11.092 4.641 -0.858 1.00 0.00 C ATOM 820 O LYS A 51 11.201 5.864 -0.816 1.00 0.00 O ATOM 821 CB LYS A 51 10.581 3.364 1.353 1.00 0.00 C ATOM 822 CG LYS A 51 10.259 4.072 2.684 1.00 0.00 C ATOM 823 CD LYS A 51 8.872 3.819 3.301 1.00 0.00 C ATOM 824 CE LYS A 51 7.713 4.612 2.680 1.00 0.00 C ATOM 825 NZ LYS A 51 6.497 4.451 3.523 1.00 0.00 N ATOM 0 H LYS A 51 9.102 2.193 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 51 9.459 4.937 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.201 2.343 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.664 3.296 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.012 3.776 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.369 5.145 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.646 2.756 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.919 4.053 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.979 5.666 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.517 4.258 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.924 5.318 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.938 3.646 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.779 4.276 4.509 1.00 0.00 H new ATOM 839 N PRO A 52 11.862 3.934 -1.738 1.00 0.00 N ATOM 840 CA PRO A 52 12.734 4.619 -2.758 1.00 0.00 C ATOM 841 C PRO A 52 12.034 5.531 -3.807 1.00 0.00 C ATOM 842 O PRO A 52 12.611 6.551 -4.189 1.00 0.00 O ATOM 843 CB PRO A 52 13.517 3.441 -3.385 1.00 0.00 C ATOM 844 CG PRO A 52 12.602 2.213 -3.193 1.00 0.00 C ATOM 845 CD PRO A 52 11.917 2.462 -1.838 1.00 0.00 C ATOM 0 HA PRO A 52 13.358 5.372 -2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.723 3.620 -4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.479 3.299 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.873 2.130 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.176 1.286 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.921 2.021 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.485 2.026 -1.016 1.00 0.00 H new ATOM 853 N PHE A 53 10.790 5.210 -4.216 1.00 0.00 N ATOM 854 CA PHE A 53 9.940 6.140 -5.004 1.00 0.00 C ATOM 855 C PHE A 53 9.485 7.386 -4.194 1.00 0.00 C ATOM 856 O PHE A 53 9.858 8.495 -4.576 1.00 0.00 O ATOM 857 CB PHE A 53 8.788 5.310 -5.620 1.00 0.00 C ATOM 858 CG PHE A 53 7.782 6.124 -6.449 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.124 6.627 -7.715 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.521 6.434 -5.919 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.210 7.385 -8.448 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.611 7.199 -6.648 1.00 0.00 C ATOM 863 CZ PHE A 53 5.951 7.660 -7.919 1.00 0.00 C ATOM 0 H PHE A 53 10.347 4.314 -4.016 1.00 0.00 H new ATOM 0 HA PHE A 53 10.517 6.587 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.216 4.534 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.252 4.805 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.103 6.425 -8.125 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.252 6.077 -4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.479 7.758 -9.425 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.644 7.434 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.237 8.231 -8.494 1.00 0.00 H new ATOM 873 N GLU A 54 8.723 7.220 -3.096 1.00 0.00 N ATOM 874 CA GLU A 54 8.286 8.362 -2.240 1.00 0.00 C ATOM 875 C GLU A 54 9.426 9.202 -1.562 1.00 0.00 C ATOM 876 O GLU A 54 9.216 10.383 -1.279 1.00 0.00 O ATOM 877 CB GLU A 54 7.215 7.817 -1.255 1.00 0.00 C ATOM 878 CG GLU A 54 6.391 8.913 -0.564 1.00 0.00 C ATOM 879 CD GLU A 54 5.129 8.489 0.163 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.091 7.401 0.779 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.178 9.306 0.177 1.00 0.00 O ATOM 0 H GLU A 54 8.393 6.311 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 54 7.853 9.125 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.539 7.156 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.709 7.213 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.038 9.418 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.113 9.650 -1.317 1.00 0.00 H new ATOM 888 N ALA A 55 10.625 8.634 -1.374 1.00 0.00 N ATOM 889 CA ALA A 55 11.846 9.388 -1.032 1.00 0.00 C ATOM 890 C ALA A 55 12.398 10.287 -2.166 1.00 0.00 C ATOM 891 O ALA A 55 12.538 11.484 -1.923 1.00 0.00 O ATOM 892 CB ALA A 55 12.889 8.385 -0.541 1.00 0.00 C ATOM 0 H ALA A 55 10.779 7.629 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 55 11.589 10.102 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.806 8.913 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.507 7.864 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.098 7.662 -1.330 1.00 0.00 H new ATOM 898 N TRP A 56 12.654 9.776 -3.392 1.00 0.00 N ATOM 899 CA TRP A 56 12.999 10.659 -4.550 1.00 0.00 C ATOM 900 C TRP A 56 11.870 11.662 -4.968 1.00 0.00 C ATOM 901 O TRP A 56 12.163 12.838 -5.197 1.00 0.00 O ATOM 902 CB TRP A 56 13.507 9.805 -5.732 1.00 0.00 C ATOM 903 CG TRP A 56 14.391 10.647 -6.724 1.00 0.00 C ATOM 904 CD1 TRP A 56 15.799 10.812 -6.638 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.004 11.460 -7.803 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.292 11.697 -7.609 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.172 12.094 -8.312 1.00 0.00 C ATOM 908 CE3 TRP A 56 12.723 11.759 -8.372 1.00 0.00 C ATOM 909 CZ2 TRP A 56 15.065 13.031 -9.381 1.00 0.00 C ATOM 910 CZ3 TRP A 56 12.651 12.679 -9.415 1.00 0.00 C ATOM 911 CH2 TRP A 56 13.808 13.307 -9.913 1.00 0.00 C ATOM 0 H TRP A 56 12.632 8.780 -3.612 1.00 0.00 H new ATOM 0 HA TRP A 56 13.806 11.311 -4.215 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.088 8.965 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.656 9.386 -6.269 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.420 10.313 -5.908 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.259 11.983 -7.761 1.00 0.00 H new ATOM 0 HE3 TRP A 56 11.830 11.280 -7.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 15.945 13.519 -9.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 11.691 12.915 -9.849 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.719 14.016 -10.723 1.00 0.00 H new ATOM 922 N ILE A 57 10.598 11.233 -4.957 1.00 0.00 N ATOM 923 CA ILE A 57 9.418 12.159 -4.990 1.00 0.00 C ATOM 924 C ILE A 57 9.281 13.164 -3.770 1.00 0.00 C ATOM 925 O ILE A 57 8.422 14.047 -3.822 1.00 0.00 O ATOM 926 CB ILE A 57 8.172 11.266 -5.274 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.157 10.621 -6.696 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.793 11.865 -4.989 1.00 0.00 C ATOM 929 CD1 ILE A 57 7.998 11.551 -7.891 1.00 0.00 C ATOM 0 H ILE A 57 10.343 10.246 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 57 9.548 12.889 -5.789 1.00 0.00 H new ATOM 0 HB ILE A 57 8.328 10.497 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.087 10.067 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.346 9.894 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.022 11.134 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.722 12.130 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.651 12.758 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.005 10.966 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.053 12.089 -7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.822 12.265 -7.909 1.00 0.00 H new ATOM 941 N GLY A 58 10.127 13.093 -2.729 1.00 0.00 N ATOM 942 CA GLY A 58 10.298 14.185 -1.746 1.00 0.00 C ATOM 943 C GLY A 58 11.664 14.894 -1.644 1.00 0.00 C ATOM 944 O GLY A 58 11.675 16.009 -1.124 1.00 0.00 O ATOM 0 H GLY A 58 10.713 12.279 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.549 14.945 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.063 13.781 -0.761 1.00 0.00 H new ATOM 948 N THR A 59 12.775 14.316 -2.131 1.00 0.00 N ATOM 949 CA THR A 59 14.137 14.948 -2.089 1.00 0.00 C ATOM 950 C THR A 59 14.214 16.427 -2.607 1.00 0.00 C ATOM 951 O THR A 59 14.780 17.288 -1.933 1.00 0.00 O ATOM 952 CB THR A 59 15.137 14.028 -2.879 1.00 0.00 C ATOM 953 OG1 THR A 59 15.115 12.695 -2.385 1.00 0.00 O ATOM 954 CG2 THR A 59 16.599 14.456 -2.787 1.00 0.00 C ATOM 0 H THR A 59 12.771 13.395 -2.569 1.00 0.00 H new ATOM 0 HA THR A 59 14.408 15.026 -1.036 1.00 0.00 H new ATOM 0 HB THR A 59 14.790 14.109 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.194 12.359 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.217 13.766 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.709 15.463 -3.190 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.916 14.446 -1.744 1.00 0.00 H new ATOM 962 N ALA A 60 13.625 16.671 -3.785 1.00 0.00 N ATOM 963 CA ALA A 60 13.367 18.035 -4.299 1.00 0.00 C ATOM 964 C ALA A 60 11.873 18.338 -4.639 1.00 0.00 C ATOM 965 O ALA A 60 11.437 19.472 -4.435 1.00 0.00 O ATOM 966 CB ALA A 60 14.282 18.267 -5.509 1.00 0.00 C ATOM 0 H ALA A 60 13.311 15.932 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 60 13.594 18.737 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.111 19.267 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.323 18.172 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.062 17.527 -6.279 1.00 0.00 H new ATOM 972 N ALA A 61 11.095 17.354 -5.127 1.00 0.00 N ATOM 973 CA ALA A 61 9.669 17.542 -5.470 1.00 0.00 C ATOM 974 C ALA A 61 8.669 17.929 -4.346 1.00 0.00 C ATOM 975 O ALA A 61 7.660 18.558 -4.666 1.00 0.00 O ATOM 976 CB ALA A 61 9.224 16.265 -6.187 1.00 0.00 C ATOM 0 H ALA A 61 11.435 16.407 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 61 9.631 18.441 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.173 16.351 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.826 16.123 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.356 15.410 -5.523 1.00 0.00 H new ATOM 982 N TYR A 62 8.960 17.618 -3.071 1.00 0.00 N ATOM 983 CA TYR A 62 8.156 18.076 -1.900 1.00 0.00 C ATOM 984 C TYR A 62 7.751 19.581 -1.878 1.00 0.00 C ATOM 985 O TYR A 62 6.578 19.857 -1.638 1.00 0.00 O ATOM 986 CB TYR A 62 8.884 17.672 -0.593 1.00 0.00 C ATOM 987 CG TYR A 62 8.070 17.782 0.715 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.887 17.044 0.907 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.529 18.588 1.765 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.184 17.121 2.113 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.824 18.666 2.969 1.00 0.00 C ATOM 992 CZ TYR A 62 6.652 17.933 3.142 1.00 0.00 C ATOM 993 OH TYR A 62 5.963 18.041 4.314 1.00 0.00 O ATOM 0 H TYR A 62 9.760 17.041 -2.812 1.00 0.00 H new ATOM 0 HA TYR A 62 7.197 17.566 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.224 16.642 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.774 18.293 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.518 16.411 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.439 19.156 1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.277 16.550 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.188 19.296 3.767 1.00 0.00 H new ATOM 0 HH TYR A 62 5.006 17.918 4.143 1.00 0.00 H new ATOM 1003 N THR A 63 8.663 20.521 -2.176 1.00 0.00 N ATOM 1004 CA THR A 63 8.297 21.967 -2.309 1.00 0.00 C ATOM 1005 C THR A 63 7.234 22.315 -3.400 1.00 0.00 C ATOM 1006 O THR A 63 6.324 23.104 -3.133 1.00 0.00 O ATOM 1007 CB THR A 63 9.579 22.831 -2.359 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.242 24.184 -2.071 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.372 22.856 -3.657 1.00 0.00 C ATOM 0 H THR A 63 9.652 20.323 -2.330 1.00 0.00 H new ATOM 0 HA THR A 63 7.744 22.226 -1.406 1.00 0.00 H new ATOM 0 HB THR A 63 10.224 22.347 -1.626 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.051 24.736 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.241 23.503 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.701 21.846 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.742 23.237 -4.461 1.00 0.00 H new ATOM 1017 N ALA A 64 7.308 21.680 -4.585 1.00 0.00 N ATOM 1018 CA ALA A 64 6.235 21.782 -5.607 1.00 0.00 C ATOM 1019 C ALA A 64 4.945 20.961 -5.294 1.00 0.00 C ATOM 1020 O ALA A 64 3.839 21.470 -5.485 1.00 0.00 O ATOM 1021 CB ALA A 64 6.860 21.373 -6.946 1.00 0.00 C ATOM 0 H ALA A 64 8.094 21.092 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 64 5.873 22.810 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.107 21.432 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.685 22.045 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.233 20.351 -6.877 1.00 0.00 H new ATOM 1027 N TRP A 65 5.089 19.723 -4.794 1.00 0.00 N ATOM 1028 CA TRP A 65 3.973 18.916 -4.243 1.00 0.00 C ATOM 1029 C TRP A 65 3.139 19.584 -3.096 1.00 0.00 C ATOM 1030 O TRP A 65 1.910 19.523 -3.136 1.00 0.00 O ATOM 1031 CB TRP A 65 4.570 17.550 -3.810 1.00 0.00 C ATOM 1032 CG TRP A 65 3.653 16.351 -4.180 1.00 0.00 C ATOM 1033 CD1 TRP A 65 3.779 15.564 -5.349 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.518 15.853 -3.528 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.757 14.614 -5.454 1.00 0.00 N ATOM 1036 CE2 TRP A 65 1.983 14.814 -4.330 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.858 16.235 -2.317 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.772 14.171 -3.949 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.687 15.569 -1.957 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.146 14.556 -2.768 1.00 0.00 C ATOM 0 H TRP A 65 5.989 19.244 -4.758 1.00 0.00 H new ATOM 0 HA TRP A 65 3.228 18.805 -5.031 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.543 17.417 -4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.737 17.556 -2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.570 15.682 -6.074 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.616 13.928 -6.195 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.258 17.022 -1.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.345 13.395 -4.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.186 15.836 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.770 14.069 -2.469 1.00 0.00 H new ATOM 1051 N LYS A 66 3.808 20.233 -2.135 1.00 0.00 N ATOM 1052 CA LYS A 66 3.178 21.090 -1.099 1.00 0.00 C ATOM 1053 C LYS A 66 2.438 22.367 -1.616 1.00 0.00 C ATOM 1054 O LYS A 66 1.365 22.674 -1.098 1.00 0.00 O ATOM 1055 CB LYS A 66 4.285 21.494 -0.082 1.00 0.00 C ATOM 1056 CG LYS A 66 4.755 20.373 0.867 1.00 0.00 C ATOM 1057 CD LYS A 66 3.777 20.026 1.996 1.00 0.00 C ATOM 1058 CE LYS A 66 3.685 21.088 3.098 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.550 20.730 3.981 1.00 0.00 N ATOM 0 H LYS A 66 4.823 20.182 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 66 2.385 20.492 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.148 21.862 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.916 22.325 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.941 19.474 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.707 20.667 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.786 19.875 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.078 19.079 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.614 21.129 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.534 22.076 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.389 21.495 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.693 20.594 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.770 19.850 4.489 1.00 0.00 H new ATOM 1073 N ALA A 67 2.965 23.077 -2.631 1.00 0.00 N ATOM 1074 CA ALA A 67 2.173 24.086 -3.385 1.00 0.00 C ATOM 1075 C ALA A 67 0.894 23.561 -4.119 1.00 0.00 C ATOM 1076 O ALA A 67 -0.124 24.255 -4.110 1.00 0.00 O ATOM 1077 CB ALA A 67 3.141 24.773 -4.360 1.00 0.00 C ATOM 0 H ALA A 67 3.928 22.977 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 67 1.751 24.778 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.603 25.525 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.943 25.252 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.564 24.030 -5.036 1.00 0.00 H new ATOM 1083 N LYS A 68 0.932 22.359 -4.721 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.264 21.747 -5.364 1.00 0.00 C ATOM 1085 C LYS A 68 -1.284 21.012 -4.416 1.00 0.00 C ATOM 1086 O LYS A 68 -2.457 20.906 -4.777 1.00 0.00 O ATOM 1087 CB LYS A 68 0.263 20.755 -6.443 1.00 0.00 C ATOM 1088 CG LYS A 68 0.947 21.452 -7.647 1.00 0.00 C ATOM 1089 CD LYS A 68 2.071 20.586 -8.241 1.00 0.00 C ATOM 1090 CE LYS A 68 2.789 21.309 -9.392 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.775 20.401 -10.035 1.00 0.00 N ATOM 0 H LYS A 68 1.774 21.786 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.851 22.571 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.973 20.070 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.569 20.152 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.204 21.662 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.356 22.411 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.791 20.337 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.655 19.646 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.061 21.647 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.295 22.197 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.475 20.964 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.259 19.841 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.282 19.762 -10.691 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.840 20.452 -3.282 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.660 19.557 -2.416 1.00 0.00 C ATOM 1107 C HIS A 69 -1.252 19.738 -0.891 1.00 0.00 C ATOM 1108 O HIS A 69 -0.084 20.044 -0.636 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.394 18.093 -2.832 1.00 0.00 C ATOM 1110 CG HIS A 69 -1.909 17.634 -4.200 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.252 17.579 -4.527 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -1.153 16.997 -5.211 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -3.216 16.840 -5.677 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -1.996 16.466 -6.173 1.00 0.00 N ATOM 0 H HIS A 69 0.104 20.601 -2.927 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.714 19.808 -2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.317 17.928 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.833 17.444 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.075 16.934 -5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.128 16.558 -6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.770 15.941 -7.018 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.129 19.550 0.137 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.902 20.147 1.508 1.00 0.00 C ATOM 1125 C PRO A 70 -0.742 19.565 2.348 1.00 0.00 C ATOM 1126 O PRO A 70 0.369 20.106 2.289 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.325 20.123 2.125 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.033 18.949 1.414 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.504 19.033 -0.026 1.00 0.00 C ATOM 0 HA PRO A 70 -1.495 21.157 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.288 19.970 3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.848 21.064 1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.788 17.993 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.117 19.053 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.510 18.058 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.112 19.699 -0.638 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.945 18.499 3.130 1.00 0.00 N ATOM 1138 CA ASP A 71 0.173 17.617 3.573 1.00 0.00 C ATOM 1139 C ASP A 71 -0.244 16.125 3.404 1.00 0.00 C ATOM 1140 O ASP A 71 -0.367 15.364 4.367 1.00 0.00 O ATOM 1141 CB ASP A 71 0.591 18.009 5.003 1.00 0.00 C ATOM 1142 CG ASP A 71 2.007 17.566 5.372 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.946 17.826 4.582 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.201 17.001 6.464 1.00 0.00 O ATOM 0 H ASP A 71 -1.862 18.216 3.475 1.00 0.00 H new ATOM 0 HA ASP A 71 1.059 17.749 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.519 19.091 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.113 17.572 5.711 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.479 15.724 2.141 1.00 0.00 N ATOM 1150 CA GLU A 72 -0.984 14.362 1.835 1.00 0.00 C ATOM 1151 C GLU A 72 0.109 13.259 1.654 1.00 0.00 C ATOM 1152 O GLU A 72 -0.063 12.135 2.119 1.00 0.00 O ATOM 1153 CB GLU A 72 -1.915 14.410 0.592 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.191 13.581 0.798 1.00 0.00 C ATOM 1155 CD GLU A 72 -4.319 14.349 1.461 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -4.773 15.347 0.866 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.781 13.938 2.543 1.00 0.00 O ATOM 0 H GLU A 72 -0.331 16.312 1.321 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.536 14.058 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.185 15.445 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.377 14.037 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.534 13.212 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.952 12.708 1.405 1.00 0.00 H new ATOM 1164 N LYS A 73 1.176 13.578 0.918 1.00 0.00 N ATOM 1165 CA LYS A 73 2.347 12.690 0.691 1.00 0.00 C ATOM 1166 C LYS A 73 3.256 12.564 1.933 1.00 0.00 C ATOM 1167 O LYS A 73 3.476 13.538 2.659 1.00 0.00 O ATOM 1168 CB LYS A 73 2.985 13.298 -0.577 1.00 0.00 C ATOM 1169 CG LYS A 73 4.355 12.783 -1.032 1.00 0.00 C ATOM 1170 CD LYS A 73 5.474 13.664 -0.439 1.00 0.00 C ATOM 1171 CE LYS A 73 6.885 13.342 -0.914 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.317 12.057 -0.326 1.00 0.00 N ATOM 0 H LYS A 73 1.264 14.479 0.447 1.00 0.00 H new ATOM 0 HA LYS A 73 2.100 11.640 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.287 13.151 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.072 14.373 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.488 11.749 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.413 12.791 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.258 14.705 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.446 13.574 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.910 13.284 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.570 14.138 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.237 11.784 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.405 12.159 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.613 11.322 -0.542 1.00 0.00 H new ATOM 1186 N PHE A 74 3.798 11.358 2.177 1.00 0.00 N ATOM 1187 CA PHE A 74 4.603 11.088 3.397 1.00 0.00 C ATOM 1188 C PHE A 74 6.006 11.785 3.327 1.00 0.00 C ATOM 1189 O PHE A 74 6.694 11.595 2.313 1.00 0.00 O ATOM 1190 CB PHE A 74 4.741 9.552 3.571 1.00 0.00 C ATOM 1191 CG PHE A 74 5.102 9.127 5.006 1.00 0.00 C ATOM 1192 CD1 PHE A 74 4.092 8.930 5.962 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.441 8.966 5.397 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.415 8.588 7.276 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.763 8.629 6.712 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.749 8.438 7.649 1.00 0.00 C ATOM 0 H PHE A 74 3.699 10.556 1.555 1.00 0.00 H new ATOM 0 HA PHE A 74 4.094 11.507 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.803 9.076 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.507 9.184 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.056 9.044 5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.230 9.104 4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.631 8.440 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.797 8.516 7.004 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.998 8.173 8.666 1.00 0.00 H new ATOM 1206 N PRO A 75 6.487 12.569 4.329 1.00 0.00 N ATOM 1207 CA PRO A 75 7.791 13.310 4.215 1.00 0.00 C ATOM 1208 C PRO A 75 9.052 12.422 4.388 1.00 0.00 C ATOM 1209 O PRO A 75 9.734 12.422 5.412 1.00 0.00 O ATOM 1210 CB PRO A 75 7.613 14.428 5.271 1.00 0.00 C ATOM 1211 CG PRO A 75 6.698 13.802 6.346 1.00 0.00 C ATOM 1212 CD PRO A 75 5.718 12.938 5.537 1.00 0.00 C ATOM 0 HA PRO A 75 7.985 13.703 3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.571 14.732 5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.161 15.318 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.268 13.202 7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.176 14.567 6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.406 12.057 6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.814 13.491 5.282 1.00 0.00 H new ATOM 1220 N ALA A 76 9.342 11.678 3.313 1.00 0.00 N ATOM 1221 CA ALA A 76 10.468 10.731 3.256 1.00 0.00 C ATOM 1222 C ALA A 76 11.728 11.341 2.577 1.00 0.00 C ATOM 1223 O ALA A 76 11.664 11.942 1.499 1.00 0.00 O ATOM 1224 CB ALA A 76 9.966 9.505 2.471 1.00 0.00 C ATOM 0 H ALA A 76 8.799 11.715 2.450 1.00 0.00 H new ATOM 0 HA ALA A 76 10.781 10.465 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.765 8.767 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.113 9.066 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.664 9.813 1.470 1.00 0.00 H new ATOM 1230 N PHE A 77 12.874 11.123 3.223 1.00 0.00 N ATOM 1231 CA PHE A 77 14.213 11.464 2.676 1.00 0.00 C ATOM 1232 C PHE A 77 14.913 10.241 1.976 1.00 0.00 C ATOM 1233 O PHE A 77 14.550 9.097 2.283 1.00 0.00 O ATOM 1234 CB PHE A 77 15.049 12.068 3.844 1.00 0.00 C ATOM 1235 CG PHE A 77 15.570 11.091 4.916 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.772 10.729 6.015 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.839 10.502 4.782 1.00 0.00 C ATOM 1238 CE1 PHE A 77 15.228 9.794 6.946 1.00 0.00 C ATOM 1239 CE2 PHE A 77 17.292 9.566 5.711 1.00 0.00 C ATOM 1240 CZ PHE A 77 16.487 9.214 6.792 1.00 0.00 C ATOM 0 H PHE A 77 12.913 10.701 4.151 1.00 0.00 H new ATOM 0 HA PHE A 77 14.118 12.199 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.906 12.586 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.439 12.822 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.798 11.178 6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.470 10.777 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.606 9.520 7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.266 9.114 5.593 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.839 8.490 7.512 1.00 0.00 H new ATOM 1250 N PRO A 78 15.934 10.396 1.089 1.00 0.00 N ATOM 1251 CA PRO A 78 16.660 9.227 0.490 1.00 0.00 C ATOM 1252 C PRO A 78 17.687 8.583 1.460 1.00 0.00 C ATOM 1253 O PRO A 78 18.802 9.084 1.633 1.00 0.00 O ATOM 1254 CB PRO A 78 17.274 9.871 -0.781 1.00 0.00 C ATOM 1255 CG PRO A 78 17.557 11.335 -0.377 1.00 0.00 C ATOM 1256 CD PRO A 78 16.385 11.697 0.553 1.00 0.00 C ATOM 0 HA PRO A 78 16.028 8.368 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.188 9.359 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.586 9.818 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.516 11.430 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.593 11.990 -1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.702 12.368 1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.587 12.202 0.010 1.00 0.00 H new ATOM 1264 N GLY A 79 17.279 7.471 2.094 1.00 0.00 N ATOM 1265 CA GLY A 79 18.097 6.778 3.111 1.00 0.00 C ATOM 1266 C GLY A 79 18.266 5.301 2.780 1.00 0.00 C ATOM 1267 O GLY A 79 17.724 4.404 3.424 1.00 0.00 O ATOM 0 H GLY A 79 16.378 7.027 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.077 7.252 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.627 6.881 4.089 1.00 0.00 H new