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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.026 X(o=0.026,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 2.21 (180deg=2.15) 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 180:sc=-0.00194 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0.272 (180deg=0.224) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=-0.0063) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00948 USER MOD Single : A 44 SER OG : rot 28:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.32 (180deg=1.25) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= 0.282 (180deg=-0.0517) USER MOD Single : A 59 THR OG1 : rot 65:sc= 0.743 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+ 170:sc= 1.52 (180deg=1.43) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 1.08 (180deg=0.766) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 1.34 (180deg=0.977) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.693 12.379 -0.283 1.00 0.00 N ATOM 53 CA LYS A 4 -6.719 11.217 0.652 1.00 0.00 C ATOM 54 C LYS A 4 -5.327 10.986 1.310 1.00 0.00 C ATOM 55 O LYS A 4 -4.368 10.589 0.640 1.00 0.00 O ATOM 56 CB LYS A 4 -7.235 9.928 -0.056 1.00 0.00 C ATOM 57 CG LYS A 4 -8.525 9.348 0.557 1.00 0.00 C ATOM 58 CD LYS A 4 -8.331 8.619 1.900 1.00 0.00 C ATOM 59 CE LYS A 4 -9.684 8.143 2.464 1.00 0.00 C ATOM 60 NZ LYS A 4 -9.487 7.451 3.767 1.00 0.00 N ATOM 0 HA LYS A 4 -7.422 11.455 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.413 10.151 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.454 9.168 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.239 10.159 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.969 8.654 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.668 7.765 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.848 9.286 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.351 8.995 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.164 7.468 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.407 7.136 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.867 6.627 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.049 8.106 4.445 1.00 0.00 H new ATOM 74 N GLN A 5 -5.244 11.200 2.631 1.00 0.00 N ATOM 75 CA GLN A 5 -4.010 10.956 3.421 1.00 0.00 C ATOM 76 C GLN A 5 -3.562 9.456 3.492 1.00 0.00 C ATOM 77 O GLN A 5 -4.309 8.520 3.189 1.00 0.00 O ATOM 78 CB GLN A 5 -4.225 11.538 4.845 1.00 0.00 C ATOM 79 CG GLN A 5 -4.213 13.084 4.924 1.00 0.00 C ATOM 80 CD GLN A 5 -3.242 13.642 5.959 1.00 0.00 C ATOM 81 OE1 GLN A 5 -3.561 13.773 7.134 1.00 0.00 O ATOM 82 NE2 GLN A 5 -2.038 13.979 5.572 1.00 0.00 N ATOM 0 H GLN A 5 -6.024 11.547 3.189 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.191 11.457 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.178 11.176 5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.448 11.149 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.955 13.486 3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.219 13.434 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.768 13.872 4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.370 14.349 6.248 1.00 0.00 H new ATOM 91 N LYS A 6 -2.285 9.266 3.849 1.00 0.00 N ATOM 92 CA LYS A 6 -1.584 7.965 3.726 1.00 0.00 C ATOM 93 C LYS A 6 -2.090 6.822 4.645 1.00 0.00 C ATOM 94 O LYS A 6 -2.756 7.044 5.658 1.00 0.00 O ATOM 95 CB LYS A 6 -0.066 8.237 3.864 1.00 0.00 C ATOM 96 CG LYS A 6 0.721 8.176 2.550 1.00 0.00 C ATOM 97 CD LYS A 6 0.556 9.317 1.540 1.00 0.00 C ATOM 98 CE LYS A 6 -0.726 9.296 0.694 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.642 10.336 -0.360 1.00 0.00 N ATOM 0 H LYS A 6 -1.700 10.008 4.233 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.818 7.558 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.073 9.222 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.357 7.511 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.779 8.108 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.452 7.247 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.593 10.262 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.412 9.303 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.859 8.314 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.595 9.475 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.503 10.310 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.552 11.273 0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.188 10.156 -0.960 1.00 0.00 H new ATOM 113 N SER A 7 -1.837 5.576 4.215 1.00 0.00 N ATOM 114 CA SER A 7 -2.362 4.370 4.906 1.00 0.00 C ATOM 115 C SER A 7 -1.370 3.194 4.672 1.00 0.00 C ATOM 116 O SER A 7 -1.194 2.747 3.534 1.00 0.00 O ATOM 117 CB SER A 7 -3.777 4.017 4.378 1.00 0.00 C ATOM 118 OG SER A 7 -4.720 5.045 4.678 1.00 0.00 O ATOM 0 H SER A 7 -1.272 5.369 3.391 1.00 0.00 H new ATOM 0 HA SER A 7 -2.450 4.562 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.736 3.863 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.108 3.078 4.822 1.00 0.00 H new ATOM 0 HG SER A 7 -5.601 4.792 4.330 1.00 0.00 H new ATOM 124 N GLU A 8 -0.718 2.733 5.748 1.00 0.00 N ATOM 125 CA GLU A 8 0.318 1.668 5.675 1.00 0.00 C ATOM 126 C GLU A 8 -0.163 0.437 6.496 1.00 0.00 C ATOM 127 O GLU A 8 -0.188 0.482 7.730 1.00 0.00 O ATOM 128 CB GLU A 8 1.688 2.178 6.191 1.00 0.00 C ATOM 129 CG GLU A 8 2.272 3.329 5.352 1.00 0.00 C ATOM 130 CD GLU A 8 3.733 3.617 5.615 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.107 3.996 6.743 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.521 3.490 4.659 1.00 0.00 O ATOM 0 H GLU A 8 -0.885 3.079 6.693 1.00 0.00 H new ATOM 0 HA GLU A 8 0.457 1.378 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.577 2.511 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.396 1.349 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.146 3.092 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.695 4.233 5.547 1.00 0.00 H new ATOM 139 N ILE A 9 -0.567 -0.647 5.812 1.00 0.00 N ATOM 140 CA ILE A 9 -1.121 -1.857 6.487 1.00 0.00 C ATOM 141 C ILE A 9 -0.090 -3.029 6.370 1.00 0.00 C ATOM 142 O ILE A 9 0.550 -3.264 5.338 1.00 0.00 O ATOM 143 CB ILE A 9 -2.537 -2.209 5.933 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.592 -1.083 6.119 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.113 -3.543 6.453 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.874 -0.626 7.554 1.00 0.00 C ATOM 0 H ILE A 9 -0.525 -0.721 4.796 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.269 -1.660 7.549 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.347 -2.322 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.267 -0.216 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.531 -1.422 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.098 -3.708 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.450 -4.360 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.198 -3.504 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.627 0.162 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.239 -1.470 8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.956 -0.245 8.001 1.00 0.00 H new ATOM 158 N THR A 10 -0.012 -3.780 7.474 1.00 0.00 N ATOM 159 CA THR A 10 0.879 -4.957 7.630 1.00 0.00 C ATOM 160 C THR A 10 0.530 -6.159 6.702 1.00 0.00 C ATOM 161 O THR A 10 -0.595 -6.305 6.211 1.00 0.00 O ATOM 162 CB THR A 10 0.817 -5.281 9.154 1.00 0.00 C ATOM 163 OG1 THR A 10 1.339 -4.184 9.906 1.00 0.00 O ATOM 164 CG2 THR A 10 1.599 -6.484 9.652 1.00 0.00 C ATOM 0 H THR A 10 -0.573 -3.591 8.305 1.00 0.00 H new ATOM 0 HA THR A 10 1.896 -4.738 7.304 1.00 0.00 H new ATOM 0 HB THR A 10 -0.243 -5.492 9.296 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.296 -4.393 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.463 -6.586 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.239 -7.384 9.153 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.658 -6.346 9.432 1.00 0.00 H new ATOM 172 N ALA A 11 1.535 -7.014 6.456 1.00 0.00 N ATOM 173 CA ALA A 11 1.425 -8.152 5.526 1.00 0.00 C ATOM 174 C ALA A 11 0.410 -9.254 5.931 1.00 0.00 C ATOM 175 O ALA A 11 0.538 -9.922 6.959 1.00 0.00 O ATOM 176 CB ALA A 11 2.855 -8.705 5.371 1.00 0.00 C ATOM 0 H ALA A 11 2.451 -6.936 6.898 1.00 0.00 H new ATOM 0 HA ALA A 11 1.009 -7.798 4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.844 -9.556 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.504 -7.927 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.229 -9.024 6.344 1.00 0.00 H new ATOM 382 N SER A 24 2.456 -15.119 1.800 1.00 0.00 N ATOM 383 CA SER A 24 3.007 -14.160 0.813 1.00 0.00 C ATOM 384 C SER A 24 3.482 -12.811 1.421 1.00 0.00 C ATOM 385 O SER A 24 3.081 -12.413 2.519 1.00 0.00 O ATOM 386 CB SER A 24 1.862 -13.956 -0.212 1.00 0.00 C ATOM 387 OG SER A 24 2.280 -13.164 -1.317 1.00 0.00 O ATOM 0 HA SER A 24 3.917 -14.559 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.517 -14.926 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.015 -13.477 0.279 1.00 0.00 H new ATOM 0 HG SER A 24 1.534 -13.057 -1.944 1.00 0.00 H new ATOM 393 N LYS A 25 4.325 -12.074 0.673 1.00 0.00 N ATOM 394 CA LYS A 25 4.703 -10.684 1.040 1.00 0.00 C ATOM 395 C LYS A 25 3.623 -9.672 0.543 1.00 0.00 C ATOM 396 O LYS A 25 3.523 -9.393 -0.655 1.00 0.00 O ATOM 397 CB LYS A 25 6.103 -10.349 0.455 1.00 0.00 C ATOM 398 CG LYS A 25 7.291 -10.647 1.391 1.00 0.00 C ATOM 399 CD LYS A 25 7.577 -12.134 1.639 1.00 0.00 C ATOM 400 CE LYS A 25 8.698 -12.331 2.675 1.00 0.00 C ATOM 401 NZ LYS A 25 8.872 -13.782 2.969 1.00 0.00 N ATOM 0 H LYS A 25 4.759 -12.411 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 25 4.755 -10.602 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.238 -10.912 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.125 -9.292 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.186 -10.187 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.105 -10.165 2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.669 -12.627 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.860 -12.612 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.631 -11.914 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.456 -11.792 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.631 -13.906 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.984 -14.168 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.123 -14.286 2.094 1.00 0.00 H new ATOM 415 N ALA A 26 2.836 -9.131 1.482 1.00 0.00 N ATOM 416 CA ALA A 26 1.769 -8.150 1.178 1.00 0.00 C ATOM 417 C ALA A 26 2.096 -6.773 1.812 1.00 0.00 C ATOM 418 O ALA A 26 2.510 -6.687 2.972 1.00 0.00 O ATOM 419 CB ALA A 26 0.466 -8.724 1.743 1.00 0.00 C ATOM 0 H ALA A 26 2.915 -9.356 2.474 1.00 0.00 H new ATOM 0 HA ALA A 26 1.681 -7.987 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.353 -8.033 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.256 -9.683 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.567 -8.865 2.819 1.00 0.00 H new ATOM 425 N LYS A 27 1.929 -5.693 1.047 1.00 0.00 N ATOM 426 CA LYS A 27 2.060 -4.317 1.584 1.00 0.00 C ATOM 427 C LYS A 27 0.958 -3.402 0.962 1.00 0.00 C ATOM 428 O LYS A 27 0.851 -3.282 -0.268 1.00 0.00 O ATOM 429 CB LYS A 27 3.467 -3.720 1.345 1.00 0.00 C ATOM 430 CG LYS A 27 4.562 -4.171 2.334 1.00 0.00 C ATOM 431 CD LYS A 27 5.330 -5.441 1.926 1.00 0.00 C ATOM 432 CE LYS A 27 5.829 -6.280 3.119 1.00 0.00 C ATOM 433 NZ LYS A 27 6.901 -5.575 3.883 1.00 0.00 N ATOM 0 H LYS A 27 1.703 -5.733 0.053 1.00 0.00 H new ATOM 0 HA LYS A 27 1.924 -4.369 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.785 -3.980 0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.392 -2.633 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.277 -3.357 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.102 -4.341 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.684 -6.060 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.185 -5.156 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.993 -6.500 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.209 -7.236 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.211 -6.171 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.709 -5.388 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.531 -4.675 4.249 1.00 0.00 H new ATOM 447 N ARG A 28 0.161 -2.753 1.829 1.00 0.00 N ATOM 448 CA ARG A 28 -0.872 -1.777 1.391 1.00 0.00 C ATOM 449 C ARG A 28 -0.324 -0.375 1.771 1.00 0.00 C ATOM 450 O ARG A 28 -0.211 -0.071 2.957 1.00 0.00 O ATOM 451 CB ARG A 28 -2.277 -1.991 2.017 1.00 0.00 C ATOM 452 CG ARG A 28 -2.724 -3.452 2.168 1.00 0.00 C ATOM 453 CD ARG A 28 -4.208 -3.597 2.522 1.00 0.00 C ATOM 454 NE ARG A 28 -4.538 -5.042 2.446 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.760 -5.560 2.469 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.849 -4.852 2.630 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.880 -6.847 2.322 1.00 0.00 N ATOM 0 H ARG A 28 0.207 -2.882 2.840 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.034 -1.901 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.291 -1.523 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.011 -1.467 1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.526 -3.984 1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.124 -3.930 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.405 -3.209 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.826 -3.024 1.831 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.757 -5.694 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.787 -3.841 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.760 -5.312 2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.050 -7.425 2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.804 -7.278 2.335 1.00 0.00 H new ATOM 471 N GLU A 29 0.086 0.404 0.777 1.00 0.00 N ATOM 472 CA GLU A 29 0.901 1.632 0.997 1.00 0.00 C ATOM 473 C GLU A 29 0.473 2.664 -0.096 1.00 0.00 C ATOM 474 O GLU A 29 0.504 2.359 -1.298 1.00 0.00 O ATOM 475 CB GLU A 29 2.419 1.308 0.879 1.00 0.00 C ATOM 476 CG GLU A 29 3.020 0.624 2.130 1.00 0.00 C ATOM 477 CD GLU A 29 4.473 0.217 1.947 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.734 -0.734 1.182 1.00 0.00 O ATOM 479 OE2 GLU A 29 5.368 0.859 2.521 1.00 0.00 O ATOM 0 H GLU A 29 -0.126 0.220 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 29 0.734 2.035 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.575 0.662 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.963 2.233 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.943 1.302 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.429 -0.259 2.373 1.00 0.00 H new ATOM 486 N ALA A 30 0.041 3.854 0.336 1.00 0.00 N ATOM 487 CA ALA A 30 -0.496 4.892 -0.574 1.00 0.00 C ATOM 488 C ALA A 30 0.574 5.946 -1.013 1.00 0.00 C ATOM 489 O ALA A 30 1.024 6.697 -0.151 1.00 0.00 O ATOM 490 CB ALA A 30 -1.641 5.537 0.232 1.00 0.00 C ATOM 0 H ALA A 30 0.050 4.131 1.318 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.830 4.461 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.105 6.324 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.386 4.779 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.243 5.964 1.152 1.00 0.00 H new ATOM 496 N PRO A 31 0.993 6.094 -2.300 1.00 0.00 N ATOM 497 CA PRO A 31 2.068 7.082 -2.670 1.00 0.00 C ATOM 498 C PRO A 31 1.536 8.508 -2.978 1.00 0.00 C ATOM 499 O PRO A 31 1.312 9.290 -2.046 1.00 0.00 O ATOM 500 CB PRO A 31 2.812 6.309 -3.782 1.00 0.00 C ATOM 501 CG PRO A 31 1.698 5.517 -4.508 1.00 0.00 C ATOM 502 CD PRO A 31 0.773 5.082 -3.360 1.00 0.00 C ATOM 0 HA PRO A 31 2.752 7.365 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.326 6.988 -4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.567 5.642 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.173 6.135 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.100 4.660 -5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.270 5.060 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.020 4.080 -3.009 1.00 0.00 H new ATOM 510 N ILE A 32 1.359 8.872 -4.258 1.00 0.00 N ATOM 511 CA ILE A 32 1.091 10.271 -4.681 1.00 0.00 C ATOM 512 C ILE A 32 -0.092 10.333 -5.698 1.00 0.00 C ATOM 513 O ILE A 32 -0.116 9.613 -6.702 1.00 0.00 O ATOM 514 CB ILE A 32 2.342 11.018 -5.276 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.168 10.250 -6.327 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.259 11.480 -4.127 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.103 11.137 -7.150 1.00 0.00 C ATOM 0 H ILE A 32 1.396 8.211 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 32 0.823 10.797 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 32 1.922 11.859 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.759 9.486 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.487 9.732 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.126 11.997 -4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.709 12.157 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.592 10.613 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.649 10.524 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.518 11.885 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.810 11.635 -6.486 1.00 0.00 H new ATOM 529 N LYS A 33 -1.025 11.262 -5.455 1.00 0.00 N ATOM 530 CA LYS A 33 -2.163 11.540 -6.378 1.00 0.00 C ATOM 531 C LYS A 33 -1.816 12.240 -7.735 1.00 0.00 C ATOM 532 O LYS A 33 -2.542 12.060 -8.713 1.00 0.00 O ATOM 533 CB LYS A 33 -3.191 12.382 -5.575 1.00 0.00 C ATOM 534 CG LYS A 33 -4.640 12.332 -6.083 1.00 0.00 C ATOM 535 CD LYS A 33 -5.358 10.982 -5.960 1.00 0.00 C ATOM 536 CE LYS A 33 -5.361 10.274 -4.596 1.00 0.00 C ATOM 537 NZ LYS A 33 -6.097 11.021 -3.547 1.00 0.00 N ATOM 0 H LYS A 33 -1.024 11.847 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.551 10.574 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.178 12.045 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.861 13.421 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.219 13.078 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.645 12.628 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.396 11.130 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.912 10.302 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.807 9.286 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.332 10.124 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.297 10.389 -2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.519 11.821 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.992 11.377 -3.938 1.00 0.00 H new ATOM 551 N TYR A 34 -0.718 13.013 -7.770 1.00 0.00 N ATOM 552 CA TYR A 34 -0.158 13.593 -9.027 1.00 0.00 C ATOM 553 C TYR A 34 0.267 12.553 -10.117 1.00 0.00 C ATOM 554 O TYR A 34 -0.024 12.767 -11.294 1.00 0.00 O ATOM 555 CB TYR A 34 1.010 14.498 -8.561 1.00 0.00 C ATOM 556 CG TYR A 34 1.671 15.375 -9.631 1.00 0.00 C ATOM 557 CD1 TYR A 34 1.132 16.625 -9.971 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.865 14.965 -10.244 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.779 17.450 -10.895 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.511 15.791 -11.169 1.00 0.00 C ATOM 561 CZ TYR A 34 2.971 17.036 -11.487 1.00 0.00 C ATOM 562 OH TYR A 34 3.605 17.857 -12.371 1.00 0.00 O ATOM 0 H TYR A 34 -0.186 13.260 -6.936 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.931 14.150 -9.557 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.641 15.149 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.778 13.862 -8.120 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.209 16.952 -9.515 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.289 14.002 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.355 18.410 -11.151 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.428 15.464 -11.637 1.00 0.00 H new ATOM 0 HH TYR A 34 4.422 17.422 -12.693 1.00 0.00 H new ATOM 572 N TRP A 35 0.945 11.463 -9.725 1.00 0.00 N ATOM 573 CA TRP A 35 1.296 10.353 -10.649 1.00 0.00 C ATOM 574 C TRP A 35 0.189 9.262 -10.797 1.00 0.00 C ATOM 575 O TRP A 35 -0.046 8.824 -11.926 1.00 0.00 O ATOM 576 CB TRP A 35 2.641 9.781 -10.151 1.00 0.00 C ATOM 577 CG TRP A 35 3.457 8.994 -11.212 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.523 7.586 -11.369 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.362 9.503 -12.149 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.432 7.210 -12.372 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.944 8.406 -12.837 1.00 0.00 C ATOM 582 CE3 TRP A 35 4.772 10.841 -12.458 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.939 8.637 -13.831 1.00 0.00 C ATOM 584 CZ3 TRP A 35 5.743 11.037 -13.436 1.00 0.00 C ATOM 585 CH2 TRP A 35 6.321 9.947 -14.115 1.00 0.00 C ATOM 0 H TRP A 35 1.267 11.319 -8.768 1.00 0.00 H new ATOM 0 HA TRP A 35 1.385 10.739 -11.665 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.253 10.604 -9.782 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.447 9.123 -9.304 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.943 6.886 -10.786 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.662 6.267 -12.686 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.335 11.683 -11.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.391 7.809 -14.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.058 12.041 -13.678 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.073 10.129 -14.868 1.00 0.00 H new ATOM 596 N LEU A 36 -0.455 8.800 -9.704 1.00 0.00 N ATOM 597 CA LEU A 36 -1.444 7.695 -9.759 1.00 0.00 C ATOM 598 C LEU A 36 -2.838 8.180 -9.230 1.00 0.00 C ATOM 599 O LEU A 36 -2.894 8.637 -8.081 1.00 0.00 O ATOM 600 CB LEU A 36 -0.953 6.486 -8.913 1.00 0.00 C ATOM 601 CG LEU A 36 0.413 5.869 -9.295 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.733 4.726 -8.319 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.469 5.345 -10.732 1.00 0.00 C ATOM 0 H LEU A 36 -0.309 9.176 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.549 7.382 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.903 6.800 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.708 5.702 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 36 1.153 6.666 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.695 4.284 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.777 5.117 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.045 3.965 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.456 4.927 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.286 4.571 -10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.277 6.164 -11.426 1.00 0.00 H new ATOM 615 N PRO A 37 -3.983 8.077 -9.964 1.00 0.00 N ATOM 616 CA PRO A 37 -5.297 8.642 -9.492 1.00 0.00 C ATOM 617 C PRO A 37 -5.963 8.026 -8.228 1.00 0.00 C ATOM 618 O PRO A 37 -6.760 8.704 -7.577 1.00 0.00 O ATOM 619 CB PRO A 37 -6.179 8.544 -10.764 1.00 0.00 C ATOM 620 CG PRO A 37 -5.575 7.375 -11.574 1.00 0.00 C ATOM 621 CD PRO A 37 -4.064 7.504 -11.327 1.00 0.00 C ATOM 0 HA PRO A 37 -5.147 9.650 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.221 8.352 -10.509 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.157 9.473 -11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.956 6.412 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.816 7.456 -12.634 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.564 6.537 -11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.591 8.153 -12.064 1.00 0.00 H new ATOM 629 N HIS A 38 -5.616 6.788 -7.857 1.00 0.00 N ATOM 630 CA HIS A 38 -5.953 6.207 -6.539 1.00 0.00 C ATOM 631 C HIS A 38 -4.628 5.901 -5.774 1.00 0.00 C ATOM 632 O HIS A 38 -3.921 4.944 -6.102 1.00 0.00 O ATOM 633 CB HIS A 38 -6.806 4.952 -6.831 1.00 0.00 C ATOM 634 CG HIS A 38 -7.508 4.329 -5.611 1.00 0.00 C ATOM 635 ND1 HIS A 38 -8.871 4.086 -5.565 1.00 0.00 N ATOM 636 CD2 HIS A 38 -6.908 3.838 -4.423 1.00 0.00 C ATOM 637 CE1 HIS A 38 -8.987 3.450 -4.356 1.00 0.00 C ATOM 638 NE2 HIS A 38 -7.860 3.273 -3.598 1.00 0.00 N ATOM 0 H HIS A 38 -5.092 6.154 -8.460 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.525 6.877 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.564 5.213 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -6.165 4.196 -7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.854 3.898 -4.196 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.946 3.096 -4.009 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.754 2.843 -2.679 1.00 0.00 H new ATOM 647 N SER A 39 -4.340 6.666 -4.712 1.00 0.00 N ATOM 648 CA SER A 39 -3.200 6.377 -3.802 1.00 0.00 C ATOM 649 C SER A 39 -3.664 5.407 -2.672 1.00 0.00 C ATOM 650 O SER A 39 -4.407 5.802 -1.768 1.00 0.00 O ATOM 651 CB SER A 39 -2.629 7.687 -3.198 1.00 0.00 C ATOM 652 OG SER A 39 -2.293 8.649 -4.194 1.00 0.00 O ATOM 0 H SER A 39 -4.877 7.494 -4.453 1.00 0.00 H new ATOM 0 HA SER A 39 -2.405 5.901 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.362 8.117 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.742 7.455 -2.609 1.00 0.00 H new ATOM 0 HG SER A 39 -1.940 9.456 -3.764 1.00 0.00 H new ATOM 658 N GLY A 40 -3.254 4.138 -2.762 1.00 0.00 N ATOM 659 CA GLY A 40 -3.667 3.088 -1.804 1.00 0.00 C ATOM 660 C GLY A 40 -3.985 1.771 -2.512 1.00 0.00 C ATOM 661 O GLY A 40 -5.147 1.512 -2.829 1.00 0.00 O ATOM 0 H GLY A 40 -2.629 3.803 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.872 2.927 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.544 3.425 -1.250 1.00 0.00 H new ATOM 665 N ALA A 41 -2.944 0.965 -2.757 1.00 0.00 N ATOM 666 CA ALA A 41 -3.071 -0.313 -3.491 1.00 0.00 C ATOM 667 C ALA A 41 -2.363 -1.472 -2.726 1.00 0.00 C ATOM 668 O ALA A 41 -1.225 -1.335 -2.258 1.00 0.00 O ATOM 669 CB ALA A 41 -2.464 -0.109 -4.891 1.00 0.00 C ATOM 0 H ALA A 41 -1.992 1.174 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.120 -0.597 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.542 -1.036 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.005 0.682 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.415 0.171 -4.795 1.00 0.00 H new ATOM 675 N THR A 42 -3.050 -2.614 -2.624 1.00 0.00 N ATOM 676 CA THR A 42 -2.502 -3.853 -2.009 1.00 0.00 C ATOM 677 C THR A 42 -1.790 -4.754 -3.054 1.00 0.00 C ATOM 678 O THR A 42 -2.393 -5.122 -4.066 1.00 0.00 O ATOM 679 CB THR A 42 -3.635 -4.591 -1.237 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.091 -5.707 -0.535 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.825 -5.121 -2.023 1.00 0.00 C ATOM 0 H THR A 42 -4.006 -2.718 -2.963 1.00 0.00 H new ATOM 0 HA THR A 42 -1.727 -3.584 -1.291 1.00 0.00 H new ATOM 0 HB THR A 42 -4.031 -3.795 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.806 -6.168 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.523 -5.607 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.326 -4.294 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.480 -5.842 -2.764 1.00 0.00 H new ATOM 689 N TRP A 43 -0.528 -5.134 -2.801 1.00 0.00 N ATOM 690 CA TRP A 43 0.203 -6.088 -3.685 1.00 0.00 C ATOM 691 C TRP A 43 0.704 -7.299 -2.842 1.00 0.00 C ATOM 692 O TRP A 43 1.704 -7.181 -2.131 1.00 0.00 O ATOM 693 CB TRP A 43 1.334 -5.311 -4.392 1.00 0.00 C ATOM 694 CG TRP A 43 1.950 -6.006 -5.656 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.084 -7.402 -5.934 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.532 -5.378 -6.763 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.693 -7.640 -7.171 1.00 0.00 N ATOM 698 CE2 TRP A 43 2.991 -6.385 -7.654 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.743 -3.996 -7.081 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.694 -6.023 -8.839 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.438 -3.672 -8.243 1.00 0.00 C ATOM 702 CH2 TRP A 43 3.913 -4.675 -9.110 1.00 0.00 C ATOM 0 H TRP A 43 0.013 -4.805 -2.002 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.442 -6.506 -4.458 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.949 -4.335 -4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.133 -5.134 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.753 -8.183 -5.266 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.875 -8.540 -7.615 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.369 -3.219 -6.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.052 -6.783 -9.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.616 -2.634 -8.484 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.456 -4.394 -10.000 1.00 0.00 H new ATOM 713 N SER A 44 0.018 -8.450 -2.948 1.00 0.00 N ATOM 714 CA SER A 44 0.427 -9.703 -2.262 1.00 0.00 C ATOM 715 C SER A 44 1.172 -10.678 -3.217 1.00 0.00 C ATOM 716 O SER A 44 0.531 -11.457 -3.934 1.00 0.00 O ATOM 717 CB SER A 44 -0.832 -10.368 -1.636 1.00 0.00 C ATOM 718 OG SER A 44 -1.696 -10.947 -2.623 1.00 0.00 O ATOM 0 H SER A 44 -0.831 -8.545 -3.506 1.00 0.00 H new ATOM 0 HA SER A 44 1.137 -9.455 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.519 -11.141 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.386 -9.623 -1.065 1.00 0.00 H new ATOM 0 HG SER A 44 -1.167 -11.218 -3.402 1.00 0.00 H new ATOM 724 N GLY A 45 2.509 -10.649 -3.204 1.00 0.00 N ATOM 725 CA GLY A 45 3.330 -11.568 -4.028 1.00 0.00 C ATOM 726 C GLY A 45 4.735 -11.025 -4.287 1.00 0.00 C ATOM 727 O GLY A 45 5.678 -11.373 -3.573 1.00 0.00 O ATOM 0 H GLY A 45 3.054 -10.002 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.404 -12.533 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.830 -11.742 -4.981 1.00 0.00 H new ATOM 731 N ARG A 46 4.859 -10.145 -5.293 1.00 0.00 N ATOM 732 CA ARG A 46 6.095 -9.332 -5.483 1.00 0.00 C ATOM 733 C ARG A 46 6.161 -8.189 -4.436 1.00 0.00 C ATOM 734 O ARG A 46 5.164 -7.517 -4.146 1.00 0.00 O ATOM 735 CB ARG A 46 6.102 -8.843 -6.947 1.00 0.00 C ATOM 736 CG ARG A 46 7.302 -8.023 -7.462 1.00 0.00 C ATOM 737 CD ARG A 46 7.257 -6.525 -7.120 1.00 0.00 C ATOM 738 NE ARG A 46 8.158 -5.771 -8.028 1.00 0.00 N ATOM 739 CZ ARG A 46 8.521 -4.501 -7.865 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.254 -3.798 -6.793 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.191 -3.926 -8.821 1.00 0.00 N ATOM 0 H ARG A 46 4.132 -9.971 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 46 6.998 -9.919 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.006 -9.721 -7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.206 -8.241 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.217 -8.448 -7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.360 -8.132 -8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.237 -6.152 -7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.559 -6.371 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 46 8.528 -6.265 -8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.739 -4.221 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.561 -2.827 -6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.424 -4.448 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.483 -2.953 -8.725 1.00 0.00 H new ATOM 755 N GLY A 47 7.368 -7.966 -3.896 1.00 0.00 N ATOM 756 CA GLY A 47 7.589 -6.951 -2.846 1.00 0.00 C ATOM 757 C GLY A 47 7.511 -5.497 -3.330 1.00 0.00 C ATOM 758 O GLY A 47 8.511 -4.925 -3.772 1.00 0.00 O ATOM 0 H GLY A 47 8.210 -8.474 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.850 -7.097 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.569 -7.118 -2.399 1.00 0.00 H new ATOM 762 N LYS A 48 6.318 -4.902 -3.234 1.00 0.00 N ATOM 763 CA LYS A 48 6.121 -3.455 -3.477 1.00 0.00 C ATOM 764 C LYS A 48 6.226 -2.701 -2.128 1.00 0.00 C ATOM 765 O LYS A 48 5.257 -2.627 -1.370 1.00 0.00 O ATOM 766 CB LYS A 48 4.767 -3.311 -4.212 1.00 0.00 C ATOM 767 CG LYS A 48 4.383 -1.886 -4.654 1.00 0.00 C ATOM 768 CD LYS A 48 3.529 -1.077 -3.666 1.00 0.00 C ATOM 769 CE LYS A 48 2.083 -1.538 -3.476 1.00 0.00 C ATOM 770 NZ LYS A 48 1.481 -0.828 -2.315 1.00 0.00 N ATOM 0 H LYS A 48 5.462 -5.399 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 48 6.885 -3.005 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.786 -3.950 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.981 -3.691 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.299 -1.329 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.843 -1.954 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.023 -1.095 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.515 -0.039 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.505 -1.336 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.053 -2.615 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.471 -1.065 -2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.963 -1.120 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.588 0.199 -2.442 1.00 0.00 H new ATOM 784 N ILE A 49 7.407 -2.137 -1.861 1.00 0.00 N ATOM 785 CA ILE A 49 7.607 -1.157 -0.769 1.00 0.00 C ATOM 786 C ILE A 49 8.016 0.172 -1.499 1.00 0.00 C ATOM 787 O ILE A 49 9.170 0.254 -1.944 1.00 0.00 O ATOM 788 CB ILE A 49 8.692 -1.577 0.288 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.507 -2.968 0.944 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.668 -0.536 1.457 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.087 -4.127 0.133 1.00 0.00 C ATOM 0 H ILE A 49 8.255 -2.341 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 49 6.696 -1.065 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 49 9.625 -1.616 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.975 -2.958 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.443 -3.145 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.415 -0.809 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.892 0.456 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.680 -0.529 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.915 -5.064 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.602 -4.167 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.158 -3.977 -0.001 1.00 0.00 H new ATOM 803 N PRO A 50 7.173 1.224 -1.651 1.00 0.00 N ATOM 804 CA PRO A 50 7.603 2.501 -2.305 1.00 0.00 C ATOM 805 C PRO A 50 8.405 3.477 -1.403 1.00 0.00 C ATOM 806 O PRO A 50 8.219 4.690 -1.464 1.00 0.00 O ATOM 807 CB PRO A 50 6.233 3.034 -2.797 1.00 0.00 C ATOM 808 CG PRO A 50 5.226 2.600 -1.703 1.00 0.00 C ATOM 809 CD PRO A 50 5.796 1.287 -1.132 1.00 0.00 C ATOM 0 HA PRO A 50 8.341 2.366 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.248 4.118 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.970 2.613 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.134 3.360 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.231 2.449 -2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.783 1.290 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.210 0.427 -1.456 1.00 0.00 H new ATOM 817 N LYS A 51 9.368 2.938 -0.640 1.00 0.00 N ATOM 818 CA LYS A 51 10.386 3.735 0.086 1.00 0.00 C ATOM 819 C LYS A 51 11.387 4.453 -0.869 1.00 0.00 C ATOM 820 O LYS A 51 11.428 5.677 -0.754 1.00 0.00 O ATOM 821 CB LYS A 51 11.049 2.885 1.196 1.00 0.00 C ATOM 822 CG LYS A 51 10.756 3.321 2.646 1.00 0.00 C ATOM 823 CD LYS A 51 9.393 2.952 3.246 1.00 0.00 C ATOM 824 CE LYS A 51 8.187 3.717 2.693 1.00 0.00 C ATOM 825 NZ LYS A 51 6.941 3.251 3.349 1.00 0.00 N ATOM 0 H LYS A 51 9.469 1.932 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 51 9.881 4.558 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.726 1.851 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.128 2.902 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.529 2.895 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.861 4.405 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.226 1.886 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.437 3.112 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.317 4.786 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.116 3.570 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.243 4.022 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.555 2.440 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.150 2.964 4.327 1.00 0.00 H new ATOM 839 N PRO A 52 12.118 3.847 -1.848 1.00 0.00 N ATOM 840 CA PRO A 52 12.860 4.639 -2.885 1.00 0.00 C ATOM 841 C PRO A 52 12.022 5.533 -3.845 1.00 0.00 C ATOM 842 O PRO A 52 12.524 6.585 -4.244 1.00 0.00 O ATOM 843 CB PRO A 52 13.695 3.551 -3.601 1.00 0.00 C ATOM 844 CG PRO A 52 12.867 2.255 -3.442 1.00 0.00 C ATOM 845 CD PRO A 52 12.252 2.385 -2.036 1.00 0.00 C ATOM 0 HA PRO A 52 13.452 5.427 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.848 3.797 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.682 3.448 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.097 2.175 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.494 1.367 -3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.287 1.883 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.893 1.940 -1.275 1.00 0.00 H new ATOM 853 N PHE A 53 10.762 5.173 -4.170 1.00 0.00 N ATOM 854 CA PHE A 53 9.844 6.077 -4.917 1.00 0.00 C ATOM 855 C PHE A 53 9.370 7.289 -4.071 1.00 0.00 C ATOM 856 O PHE A 53 9.710 8.412 -4.443 1.00 0.00 O ATOM 857 CB PHE A 53 8.693 5.247 -5.533 1.00 0.00 C ATOM 858 CG PHE A 53 7.685 6.074 -6.365 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.030 6.593 -7.625 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.417 6.371 -5.843 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.117 7.361 -8.354 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.505 7.136 -6.574 1.00 0.00 C ATOM 863 CZ PHE A 53 5.852 7.618 -7.833 1.00 0.00 C ATOM 0 H PHE A 53 10.354 4.269 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 53 10.393 6.537 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.120 4.471 -6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.155 4.742 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.010 6.397 -8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.143 6.004 -4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.393 7.755 -9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.531 7.354 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.139 8.192 -8.406 1.00 0.00 H new ATOM 873 N GLU A 54 8.628 7.089 -2.965 1.00 0.00 N ATOM 874 CA GLU A 54 8.177 8.217 -2.097 1.00 0.00 C ATOM 875 C GLU A 54 9.307 9.058 -1.396 1.00 0.00 C ATOM 876 O GLU A 54 9.071 10.226 -1.072 1.00 0.00 O ATOM 877 CB GLU A 54 7.087 7.665 -1.131 1.00 0.00 C ATOM 878 CG GLU A 54 6.303 8.774 -0.410 1.00 0.00 C ATOM 879 CD GLU A 54 5.005 8.434 0.293 1.00 0.00 C ATOM 880 OE1 GLU A 54 4.737 7.258 0.613 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.239 9.397 0.544 1.00 0.00 O ATOM 0 H GLU A 54 8.325 6.169 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 54 7.750 8.984 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.391 7.044 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.560 7.021 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.969 9.216 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.083 9.549 -1.144 1.00 0.00 H new ATOM 888 N ALA A 55 10.522 8.506 -1.239 1.00 0.00 N ATOM 889 CA ALA A 55 11.735 9.283 -0.924 1.00 0.00 C ATOM 890 C ALA A 55 12.289 10.133 -2.098 1.00 0.00 C ATOM 891 O ALA A 55 12.466 11.330 -1.887 1.00 0.00 O ATOM 892 CB ALA A 55 12.797 8.314 -0.399 1.00 0.00 C ATOM 0 H ALA A 55 10.692 7.504 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 55 11.460 10.020 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.706 8.866 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.425 7.818 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.017 7.567 -1.162 1.00 0.00 H new ATOM 898 N TRP A 56 12.532 9.600 -3.318 1.00 0.00 N ATOM 899 CA TRP A 56 12.905 10.465 -4.484 1.00 0.00 C ATOM 900 C TRP A 56 11.799 11.481 -4.932 1.00 0.00 C ATOM 901 O TRP A 56 12.114 12.642 -5.200 1.00 0.00 O ATOM 902 CB TRP A 56 13.435 9.607 -5.655 1.00 0.00 C ATOM 903 CG TRP A 56 14.593 10.346 -6.416 1.00 0.00 C ATOM 904 CD1 TRP A 56 15.971 10.241 -6.098 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.534 11.322 -7.425 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.762 11.121 -6.853 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.860 11.783 -7.660 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.438 11.911 -8.134 1.00 0.00 C ATOM 909 CZ2 TRP A 56 16.093 12.839 -8.588 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.698 12.935 -9.040 1.00 0.00 C ATOM 911 CH2 TRP A 56 15.009 13.396 -9.263 1.00 0.00 C ATOM 0 H TRP A 56 12.481 8.603 -3.528 1.00 0.00 H new ATOM 0 HA TRP A 56 13.714 11.105 -4.132 1.00 0.00 H new ATOM 0 HB2 TRP A 56 13.796 8.651 -5.276 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.622 9.388 -6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.367 9.561 -5.358 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.774 11.243 -6.814 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.428 11.567 -7.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 17.095 13.202 -8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.879 13.384 -9.582 1.00 0.00 H new ATOM 0 HH2 TRP A 56 15.178 14.195 -9.970 1.00 0.00 H new ATOM 922 N ILE A 57 10.519 11.082 -4.889 1.00 0.00 N ATOM 923 CA ILE A 57 9.360 12.028 -4.894 1.00 0.00 C ATOM 924 C ILE A 57 9.237 13.009 -3.655 1.00 0.00 C ATOM 925 O ILE A 57 8.369 13.885 -3.683 1.00 0.00 O ATOM 926 CB ILE A 57 8.096 11.168 -5.222 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.052 10.635 -6.687 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.729 11.743 -4.855 1.00 0.00 C ATOM 929 CD1 ILE A 57 7.918 11.662 -7.802 1.00 0.00 C ATOM 0 H ILE A 57 10.244 10.101 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 57 9.509 12.784 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 57 8.258 10.341 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.962 10.062 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.217 9.939 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.949 11.038 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.684 11.917 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.577 12.685 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.900 11.153 -8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.993 12.223 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.765 12.347 -7.769 1.00 0.00 H new ATOM 941 N GLY A 58 10.111 12.941 -2.639 1.00 0.00 N ATOM 942 CA GLY A 58 10.252 13.995 -1.610 1.00 0.00 C ATOM 943 C GLY A 58 11.606 14.723 -1.485 1.00 0.00 C ATOM 944 O GLY A 58 11.585 15.885 -1.084 1.00 0.00 O ATOM 0 H GLY A 58 10.744 12.153 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.487 14.748 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.026 13.547 -0.643 1.00 0.00 H new ATOM 948 N THR A 59 12.746 14.091 -1.807 1.00 0.00 N ATOM 949 CA THR A 59 14.121 14.676 -1.607 1.00 0.00 C ATOM 950 C THR A 59 14.324 16.137 -2.141 1.00 0.00 C ATOM 951 O THR A 59 14.852 16.984 -1.421 1.00 0.00 O ATOM 952 CB THR A 59 15.169 13.690 -2.232 1.00 0.00 C ATOM 953 OG1 THR A 59 15.031 12.390 -1.676 1.00 0.00 O ATOM 954 CG2 THR A 59 16.630 14.062 -1.984 1.00 0.00 C ATOM 0 H THR A 59 12.761 13.157 -2.216 1.00 0.00 H new ATOM 0 HA THR A 59 14.262 14.781 -0.531 1.00 0.00 H new ATOM 0 HB THR A 59 14.955 13.738 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.158 12.020 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.279 13.322 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.833 15.045 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.823 14.085 -0.911 1.00 0.00 H new ATOM 962 N ALA A 60 13.868 16.393 -3.375 1.00 0.00 N ATOM 963 CA ALA A 60 13.673 17.767 -3.902 1.00 0.00 C ATOM 964 C ALA A 60 12.203 18.115 -4.321 1.00 0.00 C ATOM 965 O ALA A 60 11.799 19.270 -4.185 1.00 0.00 O ATOM 966 CB ALA A 60 14.643 17.956 -5.079 1.00 0.00 C ATOM 0 H ALA A 60 13.622 15.661 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 60 13.883 18.463 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.525 18.958 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.668 17.825 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.425 17.219 -5.852 1.00 0.00 H new ATOM 972 N ALA A 61 11.411 17.142 -4.804 1.00 0.00 N ATOM 973 CA ALA A 61 10.005 17.354 -5.208 1.00 0.00 C ATOM 974 C ALA A 61 8.963 17.774 -4.136 1.00 0.00 C ATOM 975 O ALA A 61 7.967 18.391 -4.514 1.00 0.00 O ATOM 976 CB ALA A 61 9.570 16.058 -5.903 1.00 0.00 C ATOM 0 H ALA A 61 11.728 16.180 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 61 10.009 18.242 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.534 16.150 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.207 15.878 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.660 15.224 -5.207 1.00 0.00 H new ATOM 982 N TYR A 62 9.191 17.494 -2.843 1.00 0.00 N ATOM 983 CA TYR A 62 8.314 17.962 -1.727 1.00 0.00 C ATOM 984 C TYR A 62 7.895 19.463 -1.753 1.00 0.00 C ATOM 985 O TYR A 62 6.702 19.743 -1.622 1.00 0.00 O ATOM 986 CB TYR A 62 8.986 17.580 -0.385 1.00 0.00 C ATOM 987 CG TYR A 62 8.132 17.750 0.883 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.911 17.070 1.032 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.572 18.576 1.928 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.144 17.229 2.187 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.804 18.729 3.087 1.00 0.00 C ATOM 992 CZ TYR A 62 6.589 18.061 3.214 1.00 0.00 C ATOM 993 OH TYR A 62 5.818 18.231 4.323 1.00 0.00 O ATOM 0 H TYR A 62 9.986 16.937 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 62 7.360 17.451 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.302 16.539 -0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.888 18.181 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.563 16.418 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.513 19.099 1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.204 16.707 2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.154 19.367 3.885 1.00 0.00 H new ATOM 0 HH TYR A 62 6.269 18.839 4.945 1.00 0.00 H new ATOM 1003 N THR A 63 8.834 20.396 -1.975 1.00 0.00 N ATOM 1004 CA THR A 63 8.489 21.836 -2.167 1.00 0.00 C ATOM 1005 C THR A 63 7.566 22.176 -3.380 1.00 0.00 C ATOM 1006 O THR A 63 6.661 23.002 -3.236 1.00 0.00 O ATOM 1007 CB THR A 63 9.776 22.696 -2.077 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.419 24.067 -1.933 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.764 22.624 -3.233 1.00 0.00 C ATOM 0 H THR A 63 9.832 20.194 -2.028 1.00 0.00 H new ATOM 0 HA THR A 63 7.831 22.105 -1.341 1.00 0.00 H new ATOM 0 HB THR A 63 10.293 22.264 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.231 24.612 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.612 23.278 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.116 21.599 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.273 22.944 -4.152 1.00 0.00 H new ATOM 1017 N ALA A 64 7.736 21.495 -4.532 1.00 0.00 N ATOM 1018 CA ALA A 64 6.749 21.557 -5.640 1.00 0.00 C ATOM 1019 C ALA A 64 5.396 20.824 -5.370 1.00 0.00 C ATOM 1020 O ALA A 64 4.345 21.374 -5.712 1.00 0.00 O ATOM 1021 CB ALA A 64 7.451 20.999 -6.894 1.00 0.00 C ATOM 0 H ALA A 64 8.541 20.898 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 64 6.447 22.597 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.762 21.024 -7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.327 21.607 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.761 19.970 -6.710 1.00 0.00 H new ATOM 1027 N TRP A 65 5.436 19.626 -4.774 1.00 0.00 N ATOM 1028 CA TRP A 65 4.246 18.853 -4.354 1.00 0.00 C ATOM 1029 C TRP A 65 3.301 19.542 -3.320 1.00 0.00 C ATOM 1030 O TRP A 65 2.081 19.496 -3.492 1.00 0.00 O ATOM 1031 CB TRP A 65 4.774 17.480 -3.843 1.00 0.00 C ATOM 1032 CG TRP A 65 3.854 16.316 -4.302 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.054 15.527 -5.460 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.630 15.892 -3.778 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.994 14.641 -5.680 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.120 14.885 -4.639 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.880 16.298 -2.632 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.859 14.286 -4.364 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.663 15.674 -2.373 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.154 14.682 -3.234 1.00 0.00 C ATOM 0 H TRP A 65 6.313 19.151 -4.563 1.00 0.00 H new ATOM 0 HA TRP A 65 3.589 18.753 -5.218 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.785 17.316 -4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.833 17.493 -2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.922 15.600 -6.098 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.890 13.967 -6.438 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.250 17.074 -1.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.455 13.533 -5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.099 15.955 -1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.798 14.223 -3.013 1.00 0.00 H new ATOM 1051 N LYS A 66 3.867 20.200 -2.298 1.00 0.00 N ATOM 1052 CA LYS A 66 3.110 21.036 -1.327 1.00 0.00 C ATOM 1053 C LYS A 66 2.306 22.240 -1.921 1.00 0.00 C ATOM 1054 O LYS A 66 1.215 22.521 -1.421 1.00 0.00 O ATOM 1055 CB LYS A 66 4.107 21.518 -0.237 1.00 0.00 C ATOM 1056 CG LYS A 66 4.601 20.428 0.735 1.00 0.00 C ATOM 1057 CD LYS A 66 3.593 19.954 1.786 1.00 0.00 C ATOM 1058 CE LYS A 66 3.303 20.974 2.893 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.334 20.368 3.838 1.00 0.00 N ATOM 0 H LYS A 66 4.870 20.173 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 66 2.326 20.398 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.972 21.961 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.631 22.309 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.918 19.565 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.484 20.804 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.657 19.703 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.967 19.037 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.223 21.244 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.896 21.892 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.251 20.969 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.405 20.287 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.666 19.423 4.117 1.00 0.00 H new ATOM 1073 N ALA A 67 2.793 22.902 -2.986 1.00 0.00 N ATOM 1074 CA ALA A 67 1.954 23.811 -3.807 1.00 0.00 C ATOM 1075 C ALA A 67 0.783 23.152 -4.611 1.00 0.00 C ATOM 1076 O ALA A 67 -0.270 23.781 -4.727 1.00 0.00 O ATOM 1077 CB ALA A 67 2.899 24.580 -4.742 1.00 0.00 C ATOM 0 H ALA A 67 3.760 22.829 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 67 1.425 24.462 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.320 25.262 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.614 25.150 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.435 23.875 -5.377 1.00 0.00 H new ATOM 1083 N LYS A 68 0.940 21.925 -5.150 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.194 21.196 -5.793 1.00 0.00 C ATOM 1085 C LYS A 68 -1.265 20.603 -4.813 1.00 0.00 C ATOM 1086 O LYS A 68 -2.457 20.700 -5.112 1.00 0.00 O ATOM 1087 CB LYS A 68 0.332 20.064 -6.721 1.00 0.00 C ATOM 1088 CG LYS A 68 1.084 20.565 -7.972 1.00 0.00 C ATOM 1089 CD LYS A 68 2.489 19.956 -8.087 1.00 0.00 C ATOM 1090 CE LYS A 68 3.421 20.687 -9.066 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.870 21.979 -8.466 1.00 0.00 N ATOM 0 H LYS A 68 1.824 21.417 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.711 21.966 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.997 19.419 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.511 19.451 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.508 20.317 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.163 21.652 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.951 19.951 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.396 18.916 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.284 20.063 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.902 20.873 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.733 22.304 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.122 22.692 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.068 21.842 -7.454 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.859 19.953 -3.715 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.795 19.335 -2.736 1.00 0.00 C ATOM 1107 C HIS A 69 -1.371 19.674 -1.259 1.00 0.00 C ATOM 1108 O HIS A 69 -0.170 19.805 -1.005 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.834 17.808 -2.984 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.147 17.253 -3.553 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.759 16.131 -3.022 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.897 17.709 -4.670 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.836 16.000 -3.848 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -5.007 16.904 -4.860 1.00 0.00 N ATOM 0 H HIS A 69 0.124 19.835 -3.470 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.796 19.743 -2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.026 17.550 -3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.626 17.301 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.639 18.560 -5.282 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.542 15.196 -3.705 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.746 16.967 -5.560 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.292 19.796 -0.259 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.983 20.478 1.047 1.00 0.00 C ATOM 1125 C PRO A 70 -0.935 19.788 1.945 1.00 0.00 C ATOM 1126 O PRO A 70 0.208 20.247 1.998 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.396 20.684 1.661 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.253 19.555 1.035 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.738 19.507 -0.412 1.00 0.00 C ATOM 0 HA PRO A 70 -1.450 21.419 0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.372 20.609 2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.796 21.668 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.109 18.604 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.318 19.783 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.909 18.533 -0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.233 20.246 -1.042 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.288 18.694 2.623 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.294 17.774 3.246 1.00 0.00 C ATOM 1139 C ASP A 71 -0.562 16.276 2.874 1.00 0.00 C ATOM 1140 O ASP A 71 -0.382 15.379 3.696 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.319 18.083 4.759 1.00 0.00 C ATOM 1142 CG ASP A 71 0.873 17.553 5.545 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.028 17.783 5.118 1.00 0.00 O ATOM 1144 OD2 ASP A 71 0.667 16.935 6.610 1.00 0.00 O ATOM 0 H ASP A 71 -2.258 18.410 2.763 1.00 0.00 H new ATOM 0 HA ASP A 71 0.713 17.938 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.372 19.163 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.231 17.664 5.185 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.955 15.980 1.617 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.401 14.608 1.255 1.00 0.00 C ATOM 1151 C GLU A 72 -0.263 13.520 1.166 1.00 0.00 C ATOM 1152 O GLU A 72 -0.498 12.376 1.548 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.202 14.642 -0.075 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.203 13.477 -0.185 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.444 12.951 -1.584 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.563 12.249 -2.123 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.531 13.208 -2.146 1.00 0.00 O ATOM 0 H GLU A 72 -0.975 16.651 0.849 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.030 14.292 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.739 15.588 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.509 14.603 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.846 12.655 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.157 13.801 0.231 1.00 0.00 H new ATOM 1164 N LYS A 73 0.902 13.868 0.607 1.00 0.00 N ATOM 1165 CA LYS A 73 2.085 12.963 0.494 1.00 0.00 C ATOM 1166 C LYS A 73 2.904 12.913 1.800 1.00 0.00 C ATOM 1167 O LYS A 73 3.118 13.943 2.449 1.00 0.00 O ATOM 1168 CB LYS A 73 2.859 13.518 -0.722 1.00 0.00 C ATOM 1169 CG LYS A 73 4.222 12.903 -1.081 1.00 0.00 C ATOM 1170 CD LYS A 73 5.381 13.684 -0.429 1.00 0.00 C ATOM 1171 CE LYS A 73 6.780 13.215 -0.832 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.090 11.920 -0.184 1.00 0.00 N ATOM 0 H LYS A 73 1.066 14.794 0.211 1.00 0.00 H new ATOM 0 HA LYS A 73 1.816 11.918 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.214 13.421 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.012 14.584 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.252 11.864 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.347 12.899 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.279 14.738 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.286 13.609 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.839 13.111 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.520 13.961 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.859 11.448 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.385 12.086 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.244 11.315 -0.195 1.00 0.00 H new ATOM 1186 N PHE A 74 3.402 11.724 2.171 1.00 0.00 N ATOM 1187 CA PHE A 74 4.128 11.549 3.456 1.00 0.00 C ATOM 1188 C PHE A 74 5.586 12.120 3.414 1.00 0.00 C ATOM 1189 O PHE A 74 6.295 11.849 2.437 1.00 0.00 O ATOM 1190 CB PHE A 74 4.102 10.046 3.817 1.00 0.00 C ATOM 1191 CG PHE A 74 4.308 9.759 5.311 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.214 9.780 6.191 1.00 0.00 C ATOM 1193 CD2 PHE A 74 5.586 9.494 5.829 1.00 0.00 C ATOM 1194 CE1 PHE A 74 3.393 9.550 7.555 1.00 0.00 C ATOM 1195 CE2 PHE A 74 5.765 9.264 7.194 1.00 0.00 C ATOM 1196 CZ PHE A 74 4.668 9.290 8.054 1.00 0.00 C ATOM 0 H PHE A 74 3.322 10.874 1.613 1.00 0.00 H new ATOM 0 HA PHE A 74 3.626 12.127 4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.147 9.624 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.878 9.533 3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.224 9.976 5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.438 9.468 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.545 9.573 8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.753 9.066 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.807 9.108 9.110 1.00 0.00 H new ATOM 1206 N PRO A 75 6.092 12.875 4.426 1.00 0.00 N ATOM 1207 CA PRO A 75 7.460 13.500 4.372 1.00 0.00 C ATOM 1208 C PRO A 75 8.647 12.518 4.572 1.00 0.00 C ATOM 1209 O PRO A 75 9.319 12.483 5.608 1.00 0.00 O ATOM 1210 CB PRO A 75 7.334 14.610 5.451 1.00 0.00 C ATOM 1211 CG PRO A 75 6.326 14.039 6.478 1.00 0.00 C ATOM 1212 CD PRO A 75 5.298 13.319 5.595 1.00 0.00 C ATOM 0 HA PRO A 75 7.720 13.882 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.297 14.823 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.975 15.544 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.807 13.354 7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.865 14.828 7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.844 12.475 6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.487 13.985 5.299 1.00 0.00 H new ATOM 1220 N ALA A 76 8.899 11.737 3.515 1.00 0.00 N ATOM 1221 CA ALA A 76 9.920 10.673 3.508 1.00 0.00 C ATOM 1222 C ALA A 76 11.276 11.122 2.890 1.00 0.00 C ATOM 1223 O ALA A 76 11.330 11.747 1.823 1.00 0.00 O ATOM 1224 CB ALA A 76 9.323 9.504 2.704 1.00 0.00 C ATOM 0 H ALA A 76 8.398 11.823 2.631 1.00 0.00 H new ATOM 0 HA ALA A 76 10.155 10.392 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.040 8.684 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.406 9.162 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.099 9.836 1.690 1.00 0.00 H new ATOM 1230 N PHE A 77 12.361 10.753 3.572 1.00 0.00 N ATOM 1231 CA PHE A 77 13.755 11.007 3.123 1.00 0.00 C ATOM 1232 C PHE A 77 14.435 9.734 2.492 1.00 0.00 C ATOM 1233 O PHE A 77 13.972 8.617 2.759 1.00 0.00 O ATOM 1234 CB PHE A 77 14.538 11.572 4.350 1.00 0.00 C ATOM 1235 CG PHE A 77 14.936 10.565 5.449 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.038 10.214 6.470 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.183 9.920 5.398 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.369 9.223 7.397 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.511 8.927 6.322 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.603 8.579 7.319 1.00 0.00 C ATOM 0 H PHE A 77 12.309 10.262 4.465 1.00 0.00 H new ATOM 0 HA PHE A 77 13.760 11.735 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.446 12.049 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.931 12.353 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.083 10.714 6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.896 10.196 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.669 8.956 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.468 8.429 6.264 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.855 7.809 8.033 1.00 0.00 H new ATOM 1250 N PRO A 78 15.550 9.821 1.716 1.00 0.00 N ATOM 1251 CA PRO A 78 16.277 8.607 1.219 1.00 0.00 C ATOM 1252 C PRO A 78 17.191 7.968 2.297 1.00 0.00 C ATOM 1253 O PRO A 78 18.209 8.541 2.698 1.00 0.00 O ATOM 1254 CB PRO A 78 17.030 9.180 -0.008 1.00 0.00 C ATOM 1255 CG PRO A 78 17.328 10.652 0.361 1.00 0.00 C ATOM 1256 CD PRO A 78 16.124 11.086 1.214 1.00 0.00 C ATOM 0 HA PRO A 78 15.631 7.767 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.949 8.627 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.423 9.114 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.261 10.741 0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.428 11.272 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.432 11.735 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.398 11.643 0.622 1.00 0.00 H new ATOM 1264 N GLY A 79 16.796 6.778 2.771 1.00 0.00 N ATOM 1265 CA GLY A 79 17.515 6.078 3.849 1.00 0.00 C ATOM 1266 C GLY A 79 17.087 4.620 3.955 1.00 0.00 C ATOM 1267 O GLY A 79 17.676 3.702 3.387 1.00 0.00 O ATOM 0 H GLY A 79 15.978 6.277 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.588 6.130 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.330 6.582 4.798 1.00 0.00 H new