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 33 LYS NZ :NH3+ 173:sc= 1.68 (180deg=1.03) USER MOD Set 1.2: A 39 SER OG : rot 35:sc= 1.37 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.748 K(o=0.75,f=-0.28) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.78 (180deg=1.68) USER MOD Single : A 7 SER OG : rot 59:sc= 0.028 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -36:sc= 0.0633 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 34 TYR OH : rot 180:sc= 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=-0.00438 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 1.87 (180deg=1.05) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0.0205 (180deg=0.00811) USER MOD Single : A 59 THR OG1 : rot 55:sc= 0.462 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= -0.106 (180deg=-1.9!) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= 0.856 (180deg=0.492) USER MOD Single : A 69 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.47) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= 1.67 (180deg=1.45) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.482 12.240 0.537 1.00 0.00 N ATOM 53 CA LYS A 4 -6.504 11.277 1.671 1.00 0.00 C ATOM 54 C LYS A 4 -5.055 10.812 2.032 1.00 0.00 C ATOM 55 O LYS A 4 -4.255 10.445 1.166 1.00 0.00 O ATOM 56 CB LYS A 4 -7.407 10.043 1.359 1.00 0.00 C ATOM 57 CG LYS A 4 -8.913 10.382 1.339 1.00 0.00 C ATOM 58 CD LYS A 4 -9.819 9.140 1.267 1.00 0.00 C ATOM 59 CE LYS A 4 -11.303 9.560 1.339 1.00 0.00 C ATOM 60 NZ LYS A 4 -12.191 8.366 1.375 1.00 0.00 N ATOM 0 HA LYS A 4 -6.930 11.795 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.122 9.627 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.225 9.270 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.161 10.952 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.122 11.025 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.631 8.597 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.585 8.462 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.470 10.169 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.553 10.178 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.184 8.673 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.045 7.799 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.965 7.791 2.212 1.00 0.00 H new ATOM 74 N GLN A 5 -4.756 10.815 3.336 1.00 0.00 N ATOM 75 CA GLN A 5 -3.395 10.544 3.868 1.00 0.00 C ATOM 76 C GLN A 5 -2.966 9.037 3.815 1.00 0.00 C ATOM 77 O GLN A 5 -3.702 8.149 3.369 1.00 0.00 O ATOM 78 CB GLN A 5 -3.349 11.142 5.307 1.00 0.00 C ATOM 79 CG GLN A 5 -3.127 12.671 5.393 1.00 0.00 C ATOM 80 CD GLN A 5 -4.261 13.566 4.920 1.00 0.00 C ATOM 81 OE1 GLN A 5 -5.445 13.249 5.024 1.00 0.00 O ATOM 82 NE2 GLN A 5 -3.951 14.716 4.378 1.00 0.00 N ATOM 0 H GLN A 5 -5.446 11.005 4.063 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.655 11.022 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.285 10.901 5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.552 10.646 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.909 12.923 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.238 12.916 4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.973 14.989 4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.688 15.339 4.047 1.00 0.00 H new ATOM 91 N LYS A 6 -1.703 8.777 4.185 1.00 0.00 N ATOM 92 CA LYS A 6 -1.018 7.486 3.917 1.00 0.00 C ATOM 93 C LYS A 6 -1.620 6.276 4.685 1.00 0.00 C ATOM 94 O LYS A 6 -1.778 6.299 5.906 1.00 0.00 O ATOM 95 CB LYS A 6 0.500 7.680 4.128 1.00 0.00 C ATOM 96 CG LYS A 6 1.340 7.867 2.853 1.00 0.00 C ATOM 97 CD LYS A 6 1.095 9.072 1.932 1.00 0.00 C ATOM 98 CE LYS A 6 -0.178 9.031 1.076 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.081 9.965 -0.067 1.00 0.00 N ATOM 0 H LYS A 6 -1.120 9.452 4.680 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.190 7.209 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.649 8.549 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.885 6.816 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.386 7.902 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.214 6.968 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.064 9.971 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.952 9.172 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.341 8.018 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.041 9.290 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.933 9.881 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.000 10.940 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.758 9.732 -0.635 1.00 0.00 H new ATOM 113 N SER A 7 -2.006 5.250 3.912 1.00 0.00 N ATOM 114 CA SER A 7 -2.800 4.106 4.422 1.00 0.00 C ATOM 115 C SER A 7 -1.938 2.822 4.339 1.00 0.00 C ATOM 116 O SER A 7 -1.764 2.258 3.256 1.00 0.00 O ATOM 117 CB SER A 7 -4.091 3.994 3.570 1.00 0.00 C ATOM 118 OG SER A 7 -4.896 5.169 3.695 1.00 0.00 O ATOM 0 H SER A 7 -1.781 5.183 2.919 1.00 0.00 H new ATOM 0 HA SER A 7 -3.086 4.249 5.464 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.827 3.840 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.664 3.122 3.886 1.00 0.00 H new ATOM 0 HG SER A 7 -4.380 5.951 3.407 1.00 0.00 H new ATOM 124 N GLU A 8 -1.372 2.421 5.482 1.00 0.00 N ATOM 125 CA GLU A 8 -0.316 1.373 5.540 1.00 0.00 C ATOM 126 C GLU A 8 -0.885 0.113 6.250 1.00 0.00 C ATOM 127 O GLU A 8 -0.969 0.060 7.481 1.00 0.00 O ATOM 128 CB GLU A 8 0.920 1.972 6.269 1.00 0.00 C ATOM 129 CG GLU A 8 1.681 3.016 5.422 1.00 0.00 C ATOM 130 CD GLU A 8 2.757 3.781 6.171 1.00 0.00 C ATOM 131 OE1 GLU A 8 3.793 3.181 6.527 1.00 0.00 O ATOM 132 OE2 GLU A 8 2.584 5.004 6.367 1.00 0.00 O ATOM 0 H GLU A 8 -1.622 2.803 6.394 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.001 1.060 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.595 2.437 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.602 1.165 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.139 2.510 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.962 3.729 5.018 1.00 0.00 H new ATOM 139 N ILE A 9 -1.308 -0.894 5.466 1.00 0.00 N ATOM 140 CA ILE A 9 -1.971 -2.115 6.015 1.00 0.00 C ATOM 141 C ILE A 9 -0.953 -3.305 5.996 1.00 0.00 C ATOM 142 O ILE A 9 -0.156 -3.492 5.069 1.00 0.00 O ATOM 143 CB ILE A 9 -3.290 -2.440 5.238 1.00 0.00 C ATOM 144 CG1 ILE A 9 -4.336 -1.289 5.211 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.983 -3.747 5.685 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.886 -0.825 6.558 1.00 0.00 C ATOM 0 H ILE A 9 -1.208 -0.897 4.451 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.267 -1.938 7.049 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.922 -2.575 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.883 -0.430 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.176 -1.608 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.889 -3.898 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.307 -4.588 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.243 -3.678 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.604 -0.020 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.380 -1.659 7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.067 -0.464 7.180 1.00 0.00 H new ATOM 158 N THR A 10 -1.060 -4.129 7.044 1.00 0.00 N ATOM 159 CA THR A 10 -0.243 -5.355 7.234 1.00 0.00 C ATOM 160 C THR A 10 -0.537 -6.488 6.204 1.00 0.00 C ATOM 161 O THR A 10 -1.605 -6.544 5.584 1.00 0.00 O ATOM 162 CB THR A 10 -0.526 -5.786 8.709 1.00 0.00 C ATOM 163 OG1 THR A 10 -0.175 -4.735 9.610 1.00 0.00 O ATOM 164 CG2 THR A 10 0.235 -6.992 9.232 1.00 0.00 C ATOM 0 H THR A 10 -1.724 -3.969 7.802 1.00 0.00 H new ATOM 0 HA THR A 10 0.813 -5.152 7.055 1.00 0.00 H new ATOM 0 HB THR A 10 -1.587 -6.035 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.359 -5.018 10.530 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.053 -7.184 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.001 -7.864 8.622 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.306 -6.795 9.185 1.00 0.00 H new ATOM 172 N ALA A 11 0.437 -7.398 6.035 1.00 0.00 N ATOM 173 CA ALA A 11 0.331 -8.514 5.080 1.00 0.00 C ATOM 174 C ALA A 11 -0.822 -9.527 5.328 1.00 0.00 C ATOM 175 O ALA A 11 -1.015 -10.030 6.437 1.00 0.00 O ATOM 176 CB ALA A 11 1.692 -9.235 5.073 1.00 0.00 C ATOM 0 H ALA A 11 1.315 -7.381 6.553 1.00 0.00 H new ATOM 0 HA ALA A 11 0.074 -8.079 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.657 -10.072 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.471 -8.538 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.912 -9.606 6.074 1.00 0.00 H new ATOM 382 N SER A 24 2.540 -14.781 1.782 1.00 0.00 N ATOM 383 CA SER A 24 2.946 -13.748 0.809 1.00 0.00 C ATOM 384 C SER A 24 3.379 -12.411 1.460 1.00 0.00 C ATOM 385 O SER A 24 2.822 -11.959 2.468 1.00 0.00 O ATOM 386 CB SER A 24 1.777 -13.536 -0.191 1.00 0.00 C ATOM 387 OG SER A 24 0.561 -13.162 0.451 1.00 0.00 O ATOM 0 HA SER A 24 3.836 -14.105 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.055 -12.765 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.617 -14.455 -0.755 1.00 0.00 H new ATOM 0 HG SER A 24 0.488 -13.627 1.311 1.00 0.00 H new ATOM 393 N LYS A 25 4.374 -11.754 0.846 1.00 0.00 N ATOM 394 CA LYS A 25 4.846 -10.421 1.306 1.00 0.00 C ATOM 395 C LYS A 25 3.913 -9.306 0.741 1.00 0.00 C ATOM 396 O LYS A 25 4.148 -8.731 -0.325 1.00 0.00 O ATOM 397 CB LYS A 25 6.337 -10.230 0.933 1.00 0.00 C ATOM 398 CG LYS A 25 7.354 -10.741 1.981 1.00 0.00 C ATOM 399 CD LYS A 25 7.374 -12.262 2.187 1.00 0.00 C ATOM 400 CE LYS A 25 8.225 -12.753 3.376 1.00 0.00 C ATOM 401 NZ LYS A 25 9.690 -12.628 3.136 1.00 0.00 N ATOM 0 H LYS A 25 4.872 -12.115 0.032 1.00 0.00 H new ATOM 0 HA LYS A 25 4.790 -10.352 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.526 -10.741 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.518 -9.169 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.351 -10.418 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.137 -10.264 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.350 -12.607 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.746 -12.731 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.959 -12.183 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.984 -13.796 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.209 -12.973 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.955 -13.193 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.930 -11.630 2.967 1.00 0.00 H new ATOM 415 N ALA A 26 2.836 -9.046 1.491 1.00 0.00 N ATOM 416 CA ALA A 26 1.744 -8.151 1.072 1.00 0.00 C ATOM 417 C ALA A 26 1.868 -6.783 1.782 1.00 0.00 C ATOM 418 O ALA A 26 1.961 -6.703 3.011 1.00 0.00 O ATOM 419 CB ALA A 26 0.438 -8.886 1.404 1.00 0.00 C ATOM 0 H ALA A 26 2.694 -9.453 2.415 1.00 0.00 H new ATOM 0 HA ALA A 26 1.776 -7.927 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.411 -8.268 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.403 -9.829 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.394 -9.084 2.475 1.00 0.00 H new ATOM 425 N LYS A 27 1.904 -5.704 0.997 1.00 0.00 N ATOM 426 CA LYS A 27 1.931 -4.324 1.548 1.00 0.00 C ATOM 427 C LYS A 27 0.901 -3.440 0.786 1.00 0.00 C ATOM 428 O LYS A 27 1.007 -3.261 -0.436 1.00 0.00 O ATOM 429 CB LYS A 27 3.345 -3.692 1.487 1.00 0.00 C ATOM 430 CG LYS A 27 4.286 -4.089 2.642 1.00 0.00 C ATOM 431 CD LYS A 27 5.151 -5.328 2.364 1.00 0.00 C ATOM 432 CE LYS A 27 5.443 -6.195 3.605 1.00 0.00 C ATOM 433 NZ LYS A 27 6.253 -5.473 4.631 1.00 0.00 N ATOM 0 H LYS A 27 1.915 -5.747 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 27 1.659 -4.379 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.813 -3.975 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.242 -2.607 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.941 -3.247 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.688 -4.272 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.652 -5.944 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.098 -5.005 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.501 -6.515 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.973 -7.097 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.421 -6.099 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.164 -5.190 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.738 -4.626 4.947 1.00 0.00 H new ATOM 447 N ARG A 28 -0.065 -2.873 1.528 1.00 0.00 N ATOM 448 CA ARG A 28 -1.041 -1.906 0.965 1.00 0.00 C ATOM 449 C ARG A 28 -0.562 -0.491 1.390 1.00 0.00 C ATOM 450 O ARG A 28 -0.572 -0.192 2.587 1.00 0.00 O ATOM 451 CB ARG A 28 -2.507 -2.138 1.431 1.00 0.00 C ATOM 452 CG ARG A 28 -2.958 -3.606 1.505 1.00 0.00 C ATOM 453 CD ARG A 28 -4.473 -3.784 1.682 1.00 0.00 C ATOM 454 NE ARG A 28 -4.737 -5.246 1.603 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.844 -5.818 1.145 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.942 -5.167 0.872 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.840 -7.104 0.960 1.00 0.00 N ATOM 0 H ARG A 28 -0.196 -3.064 2.521 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.068 -2.032 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.631 -1.689 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.173 -1.606 0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.646 -4.118 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.446 -4.092 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.802 -3.381 2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.020 -3.248 0.906 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.998 -5.867 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.983 -4.157 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.759 -5.668 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.001 -7.646 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.676 -7.571 0.609 1.00 0.00 H new ATOM 471 N GLU A 29 -0.079 0.307 0.436 1.00 0.00 N ATOM 472 CA GLU A 29 0.611 1.589 0.739 1.00 0.00 C ATOM 473 C GLU A 29 0.214 2.654 -0.329 1.00 0.00 C ATOM 474 O GLU A 29 0.173 2.374 -1.535 1.00 0.00 O ATOM 475 CB GLU A 29 2.155 1.402 0.753 1.00 0.00 C ATOM 476 CG GLU A 29 2.675 0.602 1.963 1.00 0.00 C ATOM 477 CD GLU A 29 4.178 0.432 1.988 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.895 1.403 2.306 1.00 0.00 O ATOM 479 OE2 GLU A 29 4.655 -0.677 1.670 1.00 0.00 O ATOM 0 H GLU A 29 -0.147 0.098 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 29 0.303 1.926 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.458 0.895 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.630 2.383 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.361 1.103 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.208 -0.383 1.962 1.00 0.00 H new ATOM 486 N ALA A 30 -0.075 3.878 0.128 1.00 0.00 N ATOM 487 CA ALA A 30 -0.439 5.004 -0.762 1.00 0.00 C ATOM 488 C ALA A 30 0.771 5.932 -1.090 1.00 0.00 C ATOM 489 O ALA A 30 1.272 6.571 -0.164 1.00 0.00 O ATOM 490 CB ALA A 30 -1.577 5.735 -0.036 1.00 0.00 C ATOM 0 H ALA A 30 -0.065 4.123 1.118 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.757 4.651 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.903 6.586 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.414 5.052 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.223 6.087 0.933 1.00 0.00 H new ATOM 496 N PRO A 31 1.261 6.086 -2.350 1.00 0.00 N ATOM 497 CA PRO A 31 2.392 7.026 -2.658 1.00 0.00 C ATOM 498 C PRO A 31 1.915 8.470 -2.954 1.00 0.00 C ATOM 499 O PRO A 31 1.797 9.273 -2.020 1.00 0.00 O ATOM 500 CB PRO A 31 3.143 6.251 -3.757 1.00 0.00 C ATOM 501 CG PRO A 31 2.046 5.480 -4.526 1.00 0.00 C ATOM 502 CD PRO A 31 0.994 5.140 -3.456 1.00 0.00 C ATOM 0 HA PRO A 31 3.067 7.258 -1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.685 6.928 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.877 5.569 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.619 6.087 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.446 4.579 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.018 5.260 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.088 4.106 -3.124 1.00 0.00 H new ATOM 510 N ILE A 32 1.636 8.803 -4.224 1.00 0.00 N ATOM 511 CA ILE A 32 1.301 10.182 -4.657 1.00 0.00 C ATOM 512 C ILE A 32 0.031 10.190 -5.561 1.00 0.00 C ATOM 513 O ILE A 32 -0.063 9.466 -6.558 1.00 0.00 O ATOM 514 CB ILE A 32 2.474 10.945 -5.386 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.215 10.144 -6.473 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.458 11.473 -4.329 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.236 10.936 -7.287 1.00 0.00 C ATOM 0 H ILE A 32 1.635 8.126 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 32 1.110 10.726 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 32 2.007 11.762 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.725 9.306 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.478 9.723 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.273 12.002 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.938 12.155 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.862 10.637 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.701 10.281 -8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.735 11.759 -7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.002 11.334 -6.621 1.00 0.00 H new ATOM 529 N LYS A 33 -0.901 11.086 -5.222 1.00 0.00 N ATOM 530 CA LYS A 33 -2.124 11.334 -6.037 1.00 0.00 C ATOM 531 C LYS A 33 -1.943 12.144 -7.362 1.00 0.00 C ATOM 532 O LYS A 33 -2.775 12.031 -8.263 1.00 0.00 O ATOM 533 CB LYS A 33 -3.124 12.019 -5.080 1.00 0.00 C ATOM 534 CG LYS A 33 -4.615 11.804 -5.371 1.00 0.00 C ATOM 535 CD LYS A 33 -5.047 10.334 -5.198 1.00 0.00 C ATOM 536 CE LYS A 33 -6.297 10.107 -4.350 1.00 0.00 C ATOM 537 NZ LYS A 33 -6.017 10.267 -2.893 1.00 0.00 N ATOM 0 H LYS A 33 -0.842 11.663 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.472 10.375 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.921 11.668 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.926 13.091 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.206 12.433 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.833 12.125 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.218 9.906 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.221 9.782 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.072 10.812 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.686 9.106 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.910 10.223 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.386 9.504 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.560 11.186 -2.726 1.00 0.00 H new ATOM 551 N TYR A 34 -0.856 12.923 -7.475 1.00 0.00 N ATOM 552 CA TYR A 34 -0.433 13.571 -8.748 1.00 0.00 C ATOM 553 C TYR A 34 -0.010 12.595 -9.899 1.00 0.00 C ATOM 554 O TYR A 34 -0.374 12.841 -11.049 1.00 0.00 O ATOM 555 CB TYR A 34 0.686 14.557 -8.338 1.00 0.00 C ATOM 556 CG TYR A 34 1.103 15.599 -9.386 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.246 16.655 -9.724 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.383 15.561 -9.962 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.652 17.647 -10.620 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.797 16.555 -10.850 1.00 0.00 C ATOM 561 CZ TYR A 34 1.931 17.600 -11.175 1.00 0.00 C ATOM 562 OH TYR A 34 2.330 18.567 -12.049 1.00 0.00 O ATOM 0 H TYR A 34 -0.237 13.128 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.283 14.074 -9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.362 15.086 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.568 13.977 -8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.740 16.703 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.055 14.753 -9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.023 18.448 -10.882 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.785 16.516 -11.284 1.00 0.00 H new ATOM 0 HH TYR A 34 3.248 18.386 -12.341 1.00 0.00 H new ATOM 572 N TRP A 35 0.720 11.512 -9.588 1.00 0.00 N ATOM 573 CA TRP A 35 1.033 10.428 -10.564 1.00 0.00 C ATOM 574 C TRP A 35 -0.107 9.361 -10.721 1.00 0.00 C ATOM 575 O TRP A 35 -0.429 9.000 -11.854 1.00 0.00 O ATOM 576 CB TRP A 35 2.360 9.763 -10.128 1.00 0.00 C ATOM 577 CG TRP A 35 3.435 9.582 -11.231 1.00 0.00 C ATOM 578 CD1 TRP A 35 4.584 10.398 -11.396 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.588 8.555 -12.168 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.442 9.914 -12.396 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.813 8.777 -12.861 1.00 0.00 C ATOM 582 CE3 TRP A 35 2.792 7.408 -12.477 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.244 7.857 -13.857 1.00 0.00 C ATOM 584 CZ3 TRP A 35 3.236 6.528 -13.459 1.00 0.00 C ATOM 585 CH2 TRP A 35 4.448 6.749 -14.142 1.00 0.00 C ATOM 0 H TRP A 35 1.113 11.353 -8.660 1.00 0.00 H new ATOM 0 HA TRP A 35 1.126 10.880 -11.551 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.792 10.358 -9.324 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.130 8.783 -9.711 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.776 11.290 -10.818 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.328 10.312 -12.708 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.863 7.228 -11.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.173 8.015 -14.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.641 5.660 -13.702 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.766 6.048 -14.899 1.00 0.00 H new ATOM 596 N LEU A 36 -0.667 8.837 -9.612 1.00 0.00 N ATOM 597 CA LEU A 36 -1.652 7.729 -9.649 1.00 0.00 C ATOM 598 C LEU A 36 -3.039 8.210 -9.098 1.00 0.00 C ATOM 599 O LEU A 36 -3.082 8.651 -7.944 1.00 0.00 O ATOM 600 CB LEU A 36 -1.144 6.534 -8.792 1.00 0.00 C ATOM 601 CG LEU A 36 0.183 5.871 -9.233 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.593 4.813 -8.194 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.099 5.219 -10.614 1.00 0.00 C ATOM 0 H LEU A 36 -0.453 9.165 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.771 7.410 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.026 6.879 -7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.920 5.768 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 36 0.929 6.663 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.528 4.344 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.729 5.290 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.186 4.055 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.061 4.772 -10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.669 4.445 -10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.155 5.974 -11.358 1.00 0.00 H new ATOM 615 N PRO A 37 -4.193 8.108 -9.816 1.00 0.00 N ATOM 616 CA PRO A 37 -5.515 8.596 -9.282 1.00 0.00 C ATOM 617 C PRO A 37 -6.112 7.873 -8.042 1.00 0.00 C ATOM 618 O PRO A 37 -6.877 8.490 -7.298 1.00 0.00 O ATOM 619 CB PRO A 37 -6.422 8.541 -10.536 1.00 0.00 C ATOM 620 CG PRO A 37 -5.807 7.433 -11.420 1.00 0.00 C ATOM 621 CD PRO A 37 -4.292 7.574 -11.191 1.00 0.00 C ATOM 0 HA PRO A 37 -5.404 9.587 -8.842 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.453 8.307 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.437 9.499 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.165 6.445 -11.129 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.067 7.569 -12.470 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.782 6.615 -11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.839 8.250 -11.916 1.00 0.00 H new ATOM 629 N HIS A 38 -5.739 6.609 -7.787 1.00 0.00 N ATOM 630 CA HIS A 38 -5.951 5.951 -6.479 1.00 0.00 C ATOM 631 C HIS A 38 -4.581 5.774 -5.748 1.00 0.00 C ATOM 632 O HIS A 38 -3.782 4.899 -6.095 1.00 0.00 O ATOM 633 CB HIS A 38 -6.644 4.603 -6.792 1.00 0.00 C ATOM 634 CG HIS A 38 -7.111 3.816 -5.558 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.287 2.936 -4.875 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.386 3.843 -4.944 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.127 2.496 -3.890 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.406 2.988 -3.852 1.00 0.00 N ATOM 0 H HIS A 38 -5.283 6.012 -8.477 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.574 6.539 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.506 4.794 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.955 3.981 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.221 4.442 -5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.790 1.777 -3.158 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.163 2.782 -3.200 1.00 0.00 H new ATOM 647 N SER A 39 -4.367 6.556 -4.683 1.00 0.00 N ATOM 648 CA SER A 39 -3.271 6.308 -3.715 1.00 0.00 C ATOM 649 C SER A 39 -3.667 5.198 -2.693 1.00 0.00 C ATOM 650 O SER A 39 -4.437 5.458 -1.762 1.00 0.00 O ATOM 651 CB SER A 39 -2.939 7.647 -3.008 1.00 0.00 C ATOM 652 OG SER A 39 -4.006 8.096 -2.164 1.00 0.00 O ATOM 0 H SER A 39 -4.937 7.372 -4.462 1.00 0.00 H new ATOM 0 HA SER A 39 -2.385 5.945 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.034 7.526 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.727 8.409 -3.758 1.00 0.00 H new ATOM 0 HG SER A 39 -4.447 7.322 -1.755 1.00 0.00 H new ATOM 658 N GLY A 40 -3.131 3.989 -2.889 1.00 0.00 N ATOM 659 CA GLY A 40 -3.364 2.849 -1.977 1.00 0.00 C ATOM 660 C GLY A 40 -3.294 1.516 -2.727 1.00 0.00 C ATOM 661 O GLY A 40 -4.332 1.000 -3.145 1.00 0.00 O ATOM 0 H GLY A 40 -2.525 3.767 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.621 2.860 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.341 2.952 -1.504 1.00 0.00 H new ATOM 665 N ALA A 41 -2.078 0.992 -2.928 1.00 0.00 N ATOM 666 CA ALA A 41 -1.841 -0.146 -3.847 1.00 0.00 C ATOM 667 C ALA A 41 -1.472 -1.448 -3.090 1.00 0.00 C ATOM 668 O ALA A 41 -0.387 -1.563 -2.511 1.00 0.00 O ATOM 669 CB ALA A 41 -0.731 0.299 -4.816 1.00 0.00 C ATOM 0 H ALA A 41 -1.235 1.335 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.752 -0.394 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.516 -0.507 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.060 1.181 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.170 0.538 -4.252 1.00 0.00 H new ATOM 675 N THR A 42 -2.377 -2.437 -3.127 1.00 0.00 N ATOM 676 CA THR A 42 -2.122 -3.798 -2.585 1.00 0.00 C ATOM 677 C THR A 42 -1.374 -4.711 -3.596 1.00 0.00 C ATOM 678 O THR A 42 -1.844 -4.923 -4.717 1.00 0.00 O ATOM 679 CB THR A 42 -3.454 -4.422 -2.076 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.170 -5.638 -1.384 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.540 -4.740 -3.097 1.00 0.00 C ATOM 0 H THR A 42 -3.307 -2.326 -3.531 1.00 0.00 H new ATOM 0 HA THR A 42 -1.447 -3.708 -1.734 1.00 0.00 H new ATOM 0 HB THR A 42 -3.867 -3.625 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.006 -6.033 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.404 -5.168 -2.588 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.837 -3.825 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.157 -5.455 -3.825 1.00 0.00 H new ATOM 689 N TRP A 43 -0.226 -5.266 -3.185 1.00 0.00 N ATOM 690 CA TRP A 43 0.503 -6.288 -3.990 1.00 0.00 C ATOM 691 C TRP A 43 0.827 -7.497 -3.068 1.00 0.00 C ATOM 692 O TRP A 43 1.800 -7.451 -2.310 1.00 0.00 O ATOM 693 CB TRP A 43 1.751 -5.613 -4.601 1.00 0.00 C ATOM 694 CG TRP A 43 2.513 -6.426 -5.700 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.717 -7.837 -5.786 1.00 0.00 C ATOM 696 CD2 TRP A 43 3.246 -5.908 -6.775 1.00 0.00 C ATOM 697 NE1 TRP A 43 3.523 -8.193 -6.875 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.864 -6.993 -7.455 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.493 -4.565 -7.208 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.763 -6.743 -8.529 1.00 0.00 C ATOM 701 CZ3 TRP A 43 4.376 -4.351 -8.264 1.00 0.00 C ATOM 702 CH2 TRP A 43 5.012 -5.428 -8.910 1.00 0.00 C ATOM 0 H TRP A 43 0.228 -5.033 -2.302 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.090 -6.675 -4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.447 -4.658 -5.031 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.449 -5.391 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.297 -8.549 -5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.796 -9.130 -7.171 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.003 -3.733 -6.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.245 -7.562 -9.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.576 -3.342 -8.593 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.705 -5.230 -9.715 1.00 0.00 H new ATOM 713 N SER A 44 0.037 -8.579 -3.163 1.00 0.00 N ATOM 714 CA SER A 44 0.243 -9.790 -2.331 1.00 0.00 C ATOM 715 C SER A 44 1.175 -10.840 -3.027 1.00 0.00 C ATOM 716 O SER A 44 0.708 -11.778 -3.682 1.00 0.00 O ATOM 717 CB SER A 44 -1.134 -10.432 -1.992 1.00 0.00 C ATOM 718 OG SER A 44 -2.021 -9.568 -1.275 1.00 0.00 O ATOM 0 H SER A 44 -0.752 -8.646 -3.806 1.00 0.00 H new ATOM 0 HA SER A 44 0.743 -9.480 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.616 -10.742 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.967 -11.334 -1.403 1.00 0.00 H new ATOM 0 HG SER A 44 -2.863 -10.037 -1.099 1.00 0.00 H new ATOM 724 N GLY A 45 2.497 -10.688 -2.856 1.00 0.00 N ATOM 725 CA GLY A 45 3.473 -11.630 -3.463 1.00 0.00 C ATOM 726 C GLY A 45 4.909 -11.112 -3.403 1.00 0.00 C ATOM 727 O GLY A 45 5.643 -11.431 -2.465 1.00 0.00 O ATOM 0 H GLY A 45 2.919 -9.936 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.415 -12.589 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.199 -11.810 -4.503 1.00 0.00 H new ATOM 731 N ARG A 46 5.286 -10.286 -4.392 1.00 0.00 N ATOM 732 CA ARG A 46 6.528 -9.464 -4.310 1.00 0.00 C ATOM 733 C ARG A 46 6.339 -8.297 -3.308 1.00 0.00 C ATOM 734 O ARG A 46 5.333 -7.579 -3.337 1.00 0.00 O ATOM 735 CB ARG A 46 6.881 -9.006 -5.742 1.00 0.00 C ATOM 736 CG ARG A 46 8.111 -8.096 -5.943 1.00 0.00 C ATOM 737 CD ARG A 46 7.811 -6.588 -5.849 1.00 0.00 C ATOM 738 NE ARG A 46 8.902 -5.799 -6.483 1.00 0.00 N ATOM 739 CZ ARG A 46 9.915 -5.206 -5.856 1.00 0.00 C ATOM 740 NH1 ARG A 46 10.078 -5.189 -4.560 1.00 0.00 N ATOM 741 NH2 ARG A 46 10.807 -4.597 -6.584 1.00 0.00 N ATOM 0 H ARG A 46 4.760 -10.162 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 46 7.368 -10.041 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.027 -9.899 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.013 -8.484 -6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.862 -8.352 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.548 -8.307 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.863 -6.369 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.704 -6.297 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 46 8.870 -5.703 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.401 -5.653 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.883 -4.712 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.715 -4.586 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.597 -4.131 -6.138 1.00 0.00 H new ATOM 755 N GLY A 47 7.347 -8.104 -2.444 1.00 0.00 N ATOM 756 CA GLY A 47 7.292 -7.071 -1.387 1.00 0.00 C ATOM 757 C GLY A 47 7.468 -5.643 -1.912 1.00 0.00 C ATOM 758 O GLY A 47 8.593 -5.151 -2.017 1.00 0.00 O ATOM 0 H GLY A 47 8.211 -8.646 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.335 -7.143 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.069 -7.276 -0.650 1.00 0.00 H new ATOM 762 N LYS A 48 6.349 -5.007 -2.264 1.00 0.00 N ATOM 763 CA LYS A 48 6.346 -3.643 -2.837 1.00 0.00 C ATOM 764 C LYS A 48 6.225 -2.596 -1.706 1.00 0.00 C ATOM 765 O LYS A 48 5.122 -2.308 -1.231 1.00 0.00 O ATOM 766 CB LYS A 48 5.191 -3.652 -3.866 1.00 0.00 C ATOM 767 CG LYS A 48 5.012 -2.389 -4.706 1.00 0.00 C ATOM 768 CD LYS A 48 4.170 -1.249 -4.130 1.00 0.00 C ATOM 769 CE LYS A 48 2.742 -1.577 -3.655 1.00 0.00 C ATOM 770 NZ LYS A 48 2.662 -1.625 -2.165 1.00 0.00 N ATOM 0 H LYS A 48 5.419 -5.413 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 48 7.268 -3.362 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.345 -4.492 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.260 -3.840 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.003 -1.992 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.568 -2.682 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.714 -0.825 -3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.099 -0.469 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.049 -0.826 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.430 -2.536 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.996 -2.370 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.603 -1.832 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.331 -0.707 -1.805 1.00 0.00 H new ATOM 784 N ILE A 49 7.364 -2.018 -1.308 1.00 0.00 N ATOM 785 CA ILE A 49 7.400 -0.856 -0.387 1.00 0.00 C ATOM 786 C ILE A 49 7.854 0.371 -1.261 1.00 0.00 C ATOM 787 O ILE A 49 9.027 0.387 -1.660 1.00 0.00 O ATOM 788 CB ILE A 49 8.354 -1.037 0.852 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.131 -2.331 1.685 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.127 0.152 1.833 1.00 0.00 C ATOM 791 CD1 ILE A 49 8.911 -3.545 1.190 1.00 0.00 C ATOM 0 H ILE A 49 8.286 -2.334 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 49 6.413 -0.721 0.055 1.00 0.00 H new ATOM 0 HB ILE A 49 9.357 -1.088 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.409 -2.134 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.068 -2.572 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.782 0.041 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.352 1.090 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.088 0.158 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.695 -4.401 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.617 -3.774 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.979 -3.329 1.221 1.00 0.00 H new ATOM 803 N PRO A 50 7.038 1.421 -1.552 1.00 0.00 N ATOM 804 CA PRO A 50 7.526 2.628 -2.299 1.00 0.00 C ATOM 805 C PRO A 50 8.323 3.669 -1.461 1.00 0.00 C ATOM 806 O PRO A 50 8.134 4.877 -1.603 1.00 0.00 O ATOM 807 CB PRO A 50 6.182 3.150 -2.875 1.00 0.00 C ATOM 808 CG PRO A 50 5.152 2.861 -1.758 1.00 0.00 C ATOM 809 CD PRO A 50 5.626 1.533 -1.140 1.00 0.00 C ATOM 0 HA PRO A 50 8.287 2.402 -3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.233 4.215 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.920 2.638 -3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.133 3.660 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.142 2.775 -2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.528 1.542 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.037 0.692 -1.506 1.00 0.00 H new ATOM 817 N LYS A 51 9.291 3.189 -0.666 1.00 0.00 N ATOM 818 CA LYS A 51 10.271 4.042 0.041 1.00 0.00 C ATOM 819 C LYS A 51 11.291 4.746 -0.905 1.00 0.00 C ATOM 820 O LYS A 51 11.295 5.974 -0.826 1.00 0.00 O ATOM 821 CB LYS A 51 10.947 3.288 1.206 1.00 0.00 C ATOM 822 CG LYS A 51 10.111 3.152 2.492 1.00 0.00 C ATOM 823 CD LYS A 51 10.120 4.328 3.477 1.00 0.00 C ATOM 824 CE LYS A 51 9.329 5.606 3.136 1.00 0.00 C ATOM 825 NZ LYS A 51 7.859 5.381 2.952 1.00 0.00 N ATOM 0 H LYS A 51 9.421 2.192 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 51 9.699 4.859 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.213 2.289 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.878 3.799 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.077 2.966 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.457 2.266 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.747 3.958 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.159 4.618 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.478 6.336 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.737 6.041 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.411 6.261 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.708 4.634 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.436 5.092 3.857 1.00 0.00 H new ATOM 839 N PRO A 52 12.099 4.130 -1.818 1.00 0.00 N ATOM 840 CA PRO A 52 12.888 4.914 -2.832 1.00 0.00 C ATOM 841 C PRO A 52 12.093 5.800 -3.833 1.00 0.00 C ATOM 842 O PRO A 52 12.608 6.844 -4.240 1.00 0.00 O ATOM 843 CB PRO A 52 13.744 3.819 -3.518 1.00 0.00 C ATOM 844 CG PRO A 52 12.913 2.525 -3.370 1.00 0.00 C ATOM 845 CD PRO A 52 12.233 2.668 -1.994 1.00 0.00 C ATOM 0 HA PRO A 52 13.464 5.698 -2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.925 4.056 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.719 3.721 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.178 2.430 -4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.546 1.638 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.263 2.172 -1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.835 2.223 -1.202 1.00 0.00 H new ATOM 853 N PHE A 53 10.843 5.430 -4.175 1.00 0.00 N ATOM 854 CA PHE A 53 9.929 6.314 -4.940 1.00 0.00 C ATOM 855 C PHE A 53 9.443 7.538 -4.120 1.00 0.00 C ATOM 856 O PHE A 53 9.798 8.652 -4.498 1.00 0.00 O ATOM 857 CB PHE A 53 8.800 5.438 -5.526 1.00 0.00 C ATOM 858 CG PHE A 53 7.789 6.202 -6.396 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.133 6.651 -7.682 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.509 6.491 -5.902 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.203 7.328 -8.472 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.582 7.175 -6.689 1.00 0.00 C ATOM 863 CZ PHE A 53 5.923 7.578 -7.978 1.00 0.00 C ATOM 0 H PHE A 53 10.439 4.525 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 53 10.463 6.780 -5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.247 4.643 -6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.266 4.959 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.127 6.470 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.238 6.181 -4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.474 7.658 -9.464 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.599 7.392 -6.298 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.196 8.084 -8.595 1.00 0.00 H new ATOM 873 N GLU A 54 8.685 7.359 -3.020 1.00 0.00 N ATOM 874 CA GLU A 54 8.237 8.502 -2.165 1.00 0.00 C ATOM 875 C GLU A 54 9.367 9.390 -1.527 1.00 0.00 C ATOM 876 O GLU A 54 9.133 10.583 -1.303 1.00 0.00 O ATOM 877 CB GLU A 54 7.250 7.944 -1.103 1.00 0.00 C ATOM 878 CG GLU A 54 6.484 9.036 -0.334 1.00 0.00 C ATOM 879 CD GLU A 54 5.540 8.559 0.752 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.926 7.689 1.566 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.428 9.130 0.842 1.00 0.00 O ATOM 0 H GLU A 54 8.367 6.446 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 54 7.748 9.216 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.532 7.288 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.804 7.332 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.212 9.710 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.910 9.621 -1.053 1.00 0.00 H new ATOM 888 N ALA A 55 10.554 8.813 -1.278 1.00 0.00 N ATOM 889 CA ALA A 55 11.778 9.562 -0.946 1.00 0.00 C ATOM 890 C ALA A 55 12.362 10.409 -2.105 1.00 0.00 C ATOM 891 O ALA A 55 12.549 11.604 -1.890 1.00 0.00 O ATOM 892 CB ALA A 55 12.823 8.562 -0.442 1.00 0.00 C ATOM 0 H ALA A 55 10.693 7.803 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 55 11.508 10.291 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.741 9.092 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.442 8.053 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.031 7.829 -1.221 1.00 0.00 H new ATOM 898 N TRP A 56 12.619 9.862 -3.314 1.00 0.00 N ATOM 899 CA TRP A 56 13.025 10.705 -4.481 1.00 0.00 C ATOM 900 C TRP A 56 11.928 11.699 -4.988 1.00 0.00 C ATOM 901 O TRP A 56 12.244 12.856 -5.270 1.00 0.00 O ATOM 902 CB TRP A 56 13.594 9.814 -5.607 1.00 0.00 C ATOM 903 CG TRP A 56 14.639 10.600 -6.473 1.00 0.00 C ATOM 904 CD1 TRP A 56 16.032 10.666 -6.211 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.438 11.475 -7.552 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.695 11.553 -7.073 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.696 12.048 -7.887 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.257 11.889 -8.249 1.00 0.00 C ATOM 909 CZ2 TRP A 56 15.777 13.042 -8.905 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.368 12.858 -9.242 1.00 0.00 C ATOM 911 CH2 TRP A 56 14.614 13.428 -9.567 1.00 0.00 C ATOM 0 H TRP A 56 12.557 8.864 -3.514 1.00 0.00 H new ATOM 0 HA TRP A 56 13.815 11.366 -4.124 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.065 8.932 -5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.781 9.462 -6.242 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.526 10.098 -5.436 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.689 11.780 -7.093 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.297 11.457 -8.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 16.726 13.489 -9.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.483 13.178 -9.772 1.00 0.00 H new ATOM 0 HH2 TRP A 56 14.669 14.177 -10.343 1.00 0.00 H new ATOM 922 N ILE A 57 10.650 11.291 -4.987 1.00 0.00 N ATOM 923 CA ILE A 57 9.488 12.235 -5.048 1.00 0.00 C ATOM 924 C ILE A 57 9.372 13.273 -3.845 1.00 0.00 C ATOM 925 O ILE A 57 8.550 14.190 -3.926 1.00 0.00 O ATOM 926 CB ILE A 57 8.226 11.353 -5.300 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.194 10.624 -6.680 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.862 11.990 -5.058 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.136 11.494 -7.929 1.00 0.00 C ATOM 0 H ILE A 57 10.378 10.309 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 57 9.625 12.939 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 57 8.376 10.624 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.081 9.994 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.329 9.960 -6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.078 11.264 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.788 12.307 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.743 12.855 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.119 10.859 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.235 12.107 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.013 12.140 -7.963 1.00 0.00 H new ATOM 941 N GLY A 58 10.193 13.184 -2.787 1.00 0.00 N ATOM 942 CA GLY A 58 10.396 14.288 -1.824 1.00 0.00 C ATOM 943 C GLY A 58 11.782 14.967 -1.751 1.00 0.00 C ATOM 944 O GLY A 58 11.830 16.095 -1.268 1.00 0.00 O ATOM 0 H GLY A 58 10.736 12.348 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.661 15.061 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.163 13.906 -0.830 1.00 0.00 H new ATOM 948 N THR A 59 12.878 14.345 -2.214 1.00 0.00 N ATOM 949 CA THR A 59 14.258 14.935 -2.157 1.00 0.00 C ATOM 950 C THR A 59 14.383 16.398 -2.718 1.00 0.00 C ATOM 951 O THR A 59 14.936 17.268 -2.045 1.00 0.00 O ATOM 952 CB THR A 59 15.238 13.960 -2.898 1.00 0.00 C ATOM 953 OG1 THR A 59 15.194 12.659 -2.326 1.00 0.00 O ATOM 954 CG2 THR A 59 16.709 14.363 -2.843 1.00 0.00 C ATOM 0 H THR A 59 12.850 13.419 -2.641 1.00 0.00 H new ATOM 0 HA THR A 59 14.519 15.037 -1.103 1.00 0.00 H new ATOM 0 HB THR A 59 14.889 13.993 -3.930 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.268 12.337 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.308 13.629 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.835 15.343 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.036 14.405 -1.804 1.00 0.00 H new ATOM 962 N ALA A 60 13.845 16.620 -3.924 1.00 0.00 N ATOM 963 CA ALA A 60 13.638 17.977 -4.490 1.00 0.00 C ATOM 964 C ALA A 60 12.150 18.327 -4.831 1.00 0.00 C ATOM 965 O ALA A 60 11.752 19.483 -4.675 1.00 0.00 O ATOM 966 CB ALA A 60 14.536 18.109 -5.729 1.00 0.00 C ATOM 0 H ALA A 60 13.538 15.869 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 60 13.908 18.700 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.406 19.098 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.578 17.975 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.262 17.348 -6.460 1.00 0.00 H new ATOM 972 N ALA A 61 11.340 17.351 -5.277 1.00 0.00 N ATOM 973 CA ALA A 61 9.917 17.563 -5.615 1.00 0.00 C ATOM 974 C ALA A 61 8.930 17.960 -4.489 1.00 0.00 C ATOM 975 O ALA A 61 7.912 18.572 -4.809 1.00 0.00 O ATOM 976 CB ALA A 61 9.449 16.287 -6.323 1.00 0.00 C ATOM 0 H ALA A 61 11.652 16.390 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 61 9.892 18.462 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.399 16.387 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.045 16.130 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.569 15.435 -5.654 1.00 0.00 H new ATOM 982 N TYR A 62 9.234 17.670 -3.215 1.00 0.00 N ATOM 983 CA TYR A 62 8.440 18.133 -2.041 1.00 0.00 C ATOM 984 C TYR A 62 7.957 19.610 -2.059 1.00 0.00 C ATOM 985 O TYR A 62 6.756 19.842 -1.934 1.00 0.00 O ATOM 986 CB TYR A 62 9.264 17.833 -0.768 1.00 0.00 C ATOM 987 CG TYR A 62 8.554 17.999 0.572 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.507 17.135 0.912 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.985 18.953 1.508 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.928 17.201 2.176 1.00 0.00 C ATOM 991 CE2 TYR A 62 8.381 19.032 2.766 1.00 0.00 C ATOM 992 CZ TYR A 62 7.355 18.154 3.098 1.00 0.00 C ATOM 993 OH TYR A 62 6.726 18.236 4.304 1.00 0.00 O ATOM 0 H TYR A 62 10.042 17.104 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 62 7.502 17.579 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.628 16.808 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.139 18.482 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.147 16.415 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.788 19.630 1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.143 16.509 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.710 19.773 3.479 1.00 0.00 H new ATOM 0 HH TYR A 62 7.136 18.947 4.839 1.00 0.00 H new ATOM 1003 N THR A 63 8.865 20.574 -2.268 1.00 0.00 N ATOM 1004 CA THR A 63 8.480 22.010 -2.403 1.00 0.00 C ATOM 1005 C THR A 63 7.500 22.362 -3.568 1.00 0.00 C ATOM 1006 O THR A 63 6.608 23.191 -3.379 1.00 0.00 O ATOM 1007 CB THR A 63 9.757 22.886 -2.352 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.391 24.249 -2.168 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.686 22.844 -3.560 1.00 0.00 C ATOM 0 H THR A 63 9.867 20.400 -2.349 1.00 0.00 H new ATOM 0 HA THR A 63 7.852 22.246 -1.544 1.00 0.00 H new ATOM 0 HB THR A 63 10.318 22.452 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.199 24.803 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.537 23.503 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.041 21.825 -3.710 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.145 23.174 -4.447 1.00 0.00 H new ATOM 1017 N ALA A 64 7.614 21.680 -4.724 1.00 0.00 N ATOM 1018 CA ALA A 64 6.563 21.720 -5.766 1.00 0.00 C ATOM 1019 C ALA A 64 5.253 20.940 -5.423 1.00 0.00 C ATOM 1020 O ALA A 64 4.165 21.455 -5.698 1.00 0.00 O ATOM 1021 CB ALA A 64 7.211 21.221 -7.066 1.00 0.00 C ATOM 0 H ALA A 64 8.417 21.098 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 64 6.209 22.747 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.473 21.232 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.044 21.872 -7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.577 20.204 -6.923 1.00 0.00 H new ATOM 1027 N TRP A 65 5.369 19.742 -4.834 1.00 0.00 N ATOM 1028 CA TRP A 65 4.236 18.908 -4.374 1.00 0.00 C ATOM 1029 C TRP A 65 3.311 19.534 -3.290 1.00 0.00 C ATOM 1030 O TRP A 65 2.089 19.503 -3.454 1.00 0.00 O ATOM 1031 CB TRP A 65 4.831 17.548 -3.899 1.00 0.00 C ATOM 1032 CG TRP A 65 3.911 16.358 -4.293 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.081 15.578 -5.460 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.725 15.884 -3.707 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.048 14.652 -5.631 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.221 14.855 -4.546 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.991 16.275 -2.534 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.005 14.206 -4.220 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.803 15.613 -2.238 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.320 14.585 -3.073 1.00 0.00 C ATOM 0 H TRP A 65 6.275 19.309 -4.657 1.00 0.00 H new ATOM 0 HA TRP A 65 3.558 18.794 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.818 17.408 -4.339 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.963 17.565 -2.817 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.913 15.685 -6.141 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.932 13.978 -6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.354 17.067 -1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.615 13.425 -4.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.244 15.891 -1.357 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.601 14.082 -2.816 1.00 0.00 H new ATOM 1051 N LYS A 66 3.896 20.109 -2.228 1.00 0.00 N ATOM 1052 CA LYS A 66 3.150 20.863 -1.187 1.00 0.00 C ATOM 1053 C LYS A 66 2.386 22.159 -1.685 1.00 0.00 C ATOM 1054 O LYS A 66 1.407 22.554 -1.050 1.00 0.00 O ATOM 1055 CB LYS A 66 4.110 21.234 -0.028 1.00 0.00 C ATOM 1056 CG LYS A 66 4.847 20.099 0.706 1.00 0.00 C ATOM 1057 CD LYS A 66 4.032 19.204 1.649 1.00 0.00 C ATOM 1058 CE LYS A 66 3.717 17.815 1.065 1.00 0.00 C ATOM 1059 NZ LYS A 66 3.440 16.885 2.201 1.00 0.00 N ATOM 0 H LYS A 66 4.901 20.069 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 66 2.362 20.185 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.862 21.915 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.536 21.790 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.309 19.459 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.656 20.545 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.581 19.080 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.096 19.706 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.856 17.869 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.557 17.452 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.255 16.255 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.276 17.435 3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.596 16.317 1.986 1.00 0.00 H new ATOM 1073 N ALA A 67 2.800 22.772 -2.810 1.00 0.00 N ATOM 1074 CA ALA A 67 1.972 23.756 -3.546 1.00 0.00 C ATOM 1075 C ALA A 67 0.782 23.179 -4.382 1.00 0.00 C ATOM 1076 O ALA A 67 -0.278 23.806 -4.390 1.00 0.00 O ATOM 1077 CB ALA A 67 2.935 24.567 -4.429 1.00 0.00 C ATOM 0 H ALA A 67 3.712 22.603 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 67 1.458 24.368 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.372 25.309 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.669 25.070 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.447 23.897 -5.119 1.00 0.00 H new ATOM 1083 N LYS A 68 0.924 22.026 -5.073 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.229 21.376 -5.779 1.00 0.00 C ATOM 1085 C LYS A 68 -1.281 20.664 -4.855 1.00 0.00 C ATOM 1086 O LYS A 68 -2.477 20.724 -5.141 1.00 0.00 O ATOM 1087 CB LYS A 68 0.292 20.356 -6.836 1.00 0.00 C ATOM 1088 CG LYS A 68 1.006 21.001 -8.044 1.00 0.00 C ATOM 1089 CD LYS A 68 2.400 20.400 -8.280 1.00 0.00 C ATOM 1090 CE LYS A 68 3.331 21.258 -9.151 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.754 22.478 -8.400 1.00 0.00 N ATOM 0 H LYS A 68 1.807 21.524 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.761 22.204 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.980 19.665 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.549 19.765 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.398 20.866 -8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.098 22.075 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.878 20.236 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.285 19.423 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.207 20.678 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.820 21.546 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.626 22.859 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.003 23.195 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.928 22.230 -7.405 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.831 19.953 -3.819 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.711 19.341 -2.788 1.00 0.00 C ATOM 1107 C HIS A 69 -1.182 19.685 -1.344 1.00 0.00 C ATOM 1108 O HIS A 69 0.004 19.993 -1.218 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.718 17.811 -3.024 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.942 17.289 -3.790 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.823 16.414 -3.195 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.317 17.492 -5.143 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.642 16.102 -4.240 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.431 16.721 -5.444 1.00 0.00 N ATOM 0 H HIS A 69 0.161 19.777 -3.659 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.724 19.735 -2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.818 17.537 -3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.668 17.307 -2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.811 18.149 -5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.439 15.383 -4.121 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.949 16.638 -6.319 1.00 0.00 H new ATOM 1123 N PRO A 70 -1.980 19.610 -0.240 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.510 20.042 1.133 1.00 0.00 C ATOM 1125 C PRO A 70 -0.493 19.066 1.775 1.00 0.00 C ATOM 1126 O PRO A 70 0.603 18.916 1.230 1.00 0.00 O ATOM 1127 CB PRO A 70 -2.871 20.279 1.842 1.00 0.00 C ATOM 1128 CG PRO A 70 -3.814 19.225 1.211 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.423 19.283 -0.275 1.00 0.00 C ATOM 0 HA PRO A 70 -0.888 20.936 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.787 20.144 2.920 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.237 21.292 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.656 18.233 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.864 19.474 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.607 18.333 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.994 20.042 -0.811 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.812 18.378 2.889 1.00 0.00 N ATOM 1138 CA ASP A 71 0.019 17.236 3.366 1.00 0.00 C ATOM 1139 C ASP A 71 -0.694 15.880 3.094 1.00 0.00 C ATOM 1140 O ASP A 71 -1.077 15.138 4.003 1.00 0.00 O ATOM 1141 CB ASP A 71 0.471 17.487 4.822 1.00 0.00 C ATOM 1142 CG ASP A 71 1.910 17.014 5.062 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.139 15.804 5.244 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.837 17.842 4.935 1.00 0.00 O ATOM 0 H ASP A 71 -1.623 18.582 3.472 1.00 0.00 H new ATOM 0 HA ASP A 71 0.944 17.163 2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.396 18.551 5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.201 16.968 5.506 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.842 15.569 1.791 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.288 14.231 1.339 1.00 0.00 C ATOM 1151 C GLU A 72 -0.102 13.214 1.231 1.00 0.00 C ATOM 1152 O GLU A 72 -0.219 12.103 1.747 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.060 14.332 0.000 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.029 13.149 -0.205 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.662 12.994 -1.575 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -3.236 13.654 -2.540 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.612 12.189 -1.703 1.00 0.00 O ATOM 0 H GLU A 72 -0.660 16.225 1.031 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.966 13.844 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.620 15.267 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.349 14.364 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.491 12.229 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.831 13.239 0.528 1.00 0.00 H new ATOM 1164 N LYS A 73 1.008 13.570 0.545 1.00 0.00 N ATOM 1165 CA LYS A 73 2.247 12.755 0.537 1.00 0.00 C ATOM 1166 C LYS A 73 3.038 12.884 1.870 1.00 0.00 C ATOM 1167 O LYS A 73 3.249 13.996 2.370 1.00 0.00 O ATOM 1168 CB LYS A 73 3.138 13.197 -0.657 1.00 0.00 C ATOM 1169 CG LYS A 73 4.229 12.159 -0.990 1.00 0.00 C ATOM 1170 CD LYS A 73 5.398 12.693 -1.818 1.00 0.00 C ATOM 1171 CE LYS A 73 6.486 13.482 -1.067 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.371 12.604 -0.246 1.00 0.00 N ATOM 0 H LYS A 73 1.072 14.421 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 73 1.965 11.707 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.512 13.357 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.608 14.152 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.620 11.753 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.769 11.331 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.875 11.848 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.993 13.335 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.093 14.031 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.012 14.220 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.239 13.120 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.874 12.326 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.618 11.753 -0.791 1.00 0.00 H new ATOM 1186 N PHE A 74 3.525 11.742 2.373 1.00 0.00 N ATOM 1187 CA PHE A 74 4.347 11.692 3.606 1.00 0.00 C ATOM 1188 C PHE A 74 5.743 12.385 3.433 1.00 0.00 C ATOM 1189 O PHE A 74 6.361 12.204 2.371 1.00 0.00 O ATOM 1190 CB PHE A 74 4.501 10.189 3.956 1.00 0.00 C ATOM 1191 CG PHE A 74 4.885 9.893 5.406 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.884 9.727 6.375 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.230 9.783 5.793 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.219 9.466 7.703 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.565 9.528 7.123 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.559 9.369 8.076 1.00 0.00 C ATOM 0 H PHE A 74 3.366 10.829 1.946 1.00 0.00 H new ATOM 0 HA PHE A 74 3.859 12.245 4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.561 9.683 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.257 9.756 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.845 9.802 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.011 9.897 5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.442 9.339 8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.602 9.454 7.414 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.819 9.170 9.105 1.00 0.00 H new ATOM 1206 N PRO A 75 6.286 13.148 4.418 1.00 0.00 N ATOM 1207 CA PRO A 75 7.626 13.814 4.288 1.00 0.00 C ATOM 1208 C PRO A 75 8.847 12.857 4.373 1.00 0.00 C ATOM 1209 O PRO A 75 9.571 12.786 5.370 1.00 0.00 O ATOM 1210 CB PRO A 75 7.551 14.880 5.412 1.00 0.00 C ATOM 1211 CG PRO A 75 6.630 14.258 6.488 1.00 0.00 C ATOM 1212 CD PRO A 75 5.571 13.512 5.664 1.00 0.00 C ATOM 0 HA PRO A 75 7.802 14.239 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.539 15.099 5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.144 15.820 5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.178 13.582 7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.180 15.022 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.205 12.629 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.706 14.143 5.459 1.00 0.00 H new ATOM 1220 N ALA A 76 9.057 12.133 3.265 1.00 0.00 N ATOM 1221 CA ALA A 76 10.102 11.097 3.167 1.00 0.00 C ATOM 1222 C ALA A 76 11.436 11.620 2.556 1.00 0.00 C ATOM 1223 O ALA A 76 11.460 12.284 1.514 1.00 0.00 O ATOM 1224 CB ALA A 76 9.516 9.965 2.305 1.00 0.00 C ATOM 0 H ALA A 76 8.510 12.246 2.412 1.00 0.00 H new ATOM 0 HA ALA A 76 10.365 10.755 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.253 9.169 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.620 9.570 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.260 10.354 1.319 1.00 0.00 H new ATOM 1230 N PHE A 77 12.531 11.257 3.221 1.00 0.00 N ATOM 1231 CA PHE A 77 13.920 11.579 2.805 1.00 0.00 C ATOM 1232 C PHE A 77 14.657 10.357 2.140 1.00 0.00 C ATOM 1233 O PHE A 77 14.285 9.213 2.431 1.00 0.00 O ATOM 1234 CB PHE A 77 14.676 12.099 4.072 1.00 0.00 C ATOM 1235 CG PHE A 77 14.860 11.096 5.235 1.00 0.00 C ATOM 1236 CD1 PHE A 77 15.936 10.197 5.232 1.00 0.00 C ATOM 1237 CD2 PHE A 77 13.906 10.997 6.264 1.00 0.00 C ATOM 1238 CE1 PHE A 77 16.029 9.187 6.192 1.00 0.00 C ATOM 1239 CE2 PHE A 77 14.013 10.003 7.239 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.070 9.095 7.196 1.00 0.00 C ATOM 0 H PHE A 77 12.490 10.718 4.086 1.00 0.00 H new ATOM 0 HA PHE A 77 13.901 12.346 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.662 12.444 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.140 12.968 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.703 10.287 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 77 13.083 11.696 6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.844 8.479 6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 77 13.277 9.938 8.026 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.145 8.319 7.943 1.00 0.00 H new ATOM 1250 N PRO A 78 15.726 10.516 1.311 1.00 0.00 N ATOM 1251 CA PRO A 78 16.453 9.344 0.699 1.00 0.00 C ATOM 1252 C PRO A 78 17.549 8.702 1.599 1.00 0.00 C ATOM 1253 O PRO A 78 18.746 8.774 1.306 1.00 0.00 O ATOM 1254 CB PRO A 78 16.992 10.003 -0.603 1.00 0.00 C ATOM 1255 CG PRO A 78 17.341 11.446 -0.161 1.00 0.00 C ATOM 1256 CD PRO A 78 16.179 11.820 0.777 1.00 0.00 C ATOM 0 HA PRO A 78 15.822 8.470 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.867 9.478 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.244 9.996 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.302 11.488 0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.404 12.123 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.507 12.487 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.380 12.332 0.241 1.00 0.00 H new ATOM 1264 N GLY A 79 17.116 8.052 2.694 1.00 0.00 N ATOM 1265 CA GLY A 79 18.019 7.395 3.665 1.00 0.00 C ATOM 1266 C GLY A 79 19.033 8.286 4.392 1.00 0.00 C ATOM 1267 O GLY A 79 19.537 7.957 5.462 1.00 0.00 O ATOM 0 H GLY A 79 16.128 7.966 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.404 6.900 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.570 6.615 3.140 1.00 0.00 H new