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 6 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.623) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -155:sc= -0.411 (180deg=-1.97!) USER MOD Set 1.3: A 39 SER OG : rot 40:sc= 0.634 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 7 SER OG : rot 3:sc= 1.16 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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=-0.00843 USER MOD Single : A 44 SER OG : rot 44:sc= 0.0723 USER MOD Single : A 48 LYS NZ :NH3+ -111:sc= 2.25 (180deg=-0.325) USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= 0.346 (180deg=0.107) USER MOD Single : A 59 THR OG1 : rot 54:sc= 0.277 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+ 177:sc= 1.62 (180deg=1.61) USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.765) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.702 12.461 -0.390 1.00 0.00 N ATOM 53 CA LYS A 4 -6.822 11.347 0.587 1.00 0.00 C ATOM 54 C LYS A 4 -5.440 11.005 1.221 1.00 0.00 C ATOM 55 O LYS A 4 -4.508 10.576 0.530 1.00 0.00 O ATOM 56 CB LYS A 4 -7.461 10.106 -0.102 1.00 0.00 C ATOM 57 CG LYS A 4 -8.130 9.151 0.913 1.00 0.00 C ATOM 58 CD LYS A 4 -8.615 7.855 0.240 1.00 0.00 C ATOM 59 CE LYS A 4 -9.491 6.960 1.143 1.00 0.00 C ATOM 60 NZ LYS A 4 -8.719 6.367 2.278 1.00 0.00 N ATOM 0 HA LYS A 4 -7.476 11.661 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.203 10.438 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.693 9.565 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.422 8.907 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.974 9.654 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.182 8.114 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.747 7.282 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.320 7.548 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.925 6.159 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.350 5.775 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.944 5.784 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.326 7.129 2.866 1.00 0.00 H new ATOM 74 N GLN A 5 -5.350 11.150 2.552 1.00 0.00 N ATOM 75 CA GLN A 5 -4.156 10.757 3.348 1.00 0.00 C ATOM 76 C GLN A 5 -3.781 9.233 3.278 1.00 0.00 C ATOM 77 O GLN A 5 -4.525 8.387 2.768 1.00 0.00 O ATOM 78 CB GLN A 5 -4.413 11.197 4.817 1.00 0.00 C ATOM 79 CG GLN A 5 -4.280 12.716 5.074 1.00 0.00 C ATOM 80 CD GLN A 5 -3.160 13.110 6.029 1.00 0.00 C ATOM 81 OE1 GLN A 5 -3.391 13.498 7.167 1.00 0.00 O ATOM 82 NE2 GLN A 5 -1.920 13.039 5.601 1.00 0.00 N ATOM 0 H GLN A 5 -6.102 11.544 3.118 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.291 11.259 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.415 10.881 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.713 10.671 5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.118 13.218 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.225 13.086 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.725 12.716 4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.152 13.307 6.216 1.00 0.00 H new ATOM 91 N LYS A 6 -2.558 8.925 3.724 1.00 0.00 N ATOM 92 CA LYS A 6 -1.881 7.645 3.408 1.00 0.00 C ATOM 93 C LYS A 6 -2.269 6.468 4.370 1.00 0.00 C ATOM 94 O LYS A 6 -2.907 6.642 5.414 1.00 0.00 O ATOM 95 CB LYS A 6 -0.348 7.874 3.368 1.00 0.00 C ATOM 96 CG LYS A 6 0.234 9.034 2.552 1.00 0.00 C ATOM 97 CD LYS A 6 0.024 9.134 1.044 1.00 0.00 C ATOM 98 CE LYS A 6 -1.359 9.595 0.585 1.00 0.00 C ATOM 99 NZ LYS A 6 -1.257 10.121 -0.798 1.00 0.00 N ATOM 0 H LYS A 6 -2.005 9.548 4.312 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.230 7.325 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.013 8.002 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.107 6.956 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.156 9.954 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.311 9.032 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.766 9.822 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.223 8.156 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.064 8.765 0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.740 10.366 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.195 10.103 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.904 11.099 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.600 9.530 -1.347 1.00 0.00 H new ATOM 113 N SER A 7 -1.923 5.237 3.970 1.00 0.00 N ATOM 114 CA SER A 7 -2.126 4.023 4.810 1.00 0.00 C ATOM 115 C SER A 7 -1.114 2.931 4.354 1.00 0.00 C ATOM 116 O SER A 7 -1.177 2.504 3.199 1.00 0.00 O ATOM 117 CB SER A 7 -3.589 3.523 4.696 1.00 0.00 C ATOM 118 OG SER A 7 -4.494 4.464 5.281 1.00 0.00 O ATOM 0 H SER A 7 -1.497 5.043 3.064 1.00 0.00 H new ATOM 0 HA SER A 7 -1.948 4.259 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.845 3.369 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.688 2.558 5.194 1.00 0.00 H new ATOM 0 HG SER A 7 -3.996 5.252 5.584 1.00 0.00 H new ATOM 124 N GLU A 8 -0.192 2.515 5.243 1.00 0.00 N ATOM 125 CA GLU A 8 0.798 1.437 4.945 1.00 0.00 C ATOM 126 C GLU A 8 0.493 0.204 5.854 1.00 0.00 C ATOM 127 O GLU A 8 0.705 0.271 7.068 1.00 0.00 O ATOM 128 CB GLU A 8 2.266 1.918 5.111 1.00 0.00 C ATOM 129 CG GLU A 8 2.654 3.041 4.132 1.00 0.00 C ATOM 130 CD GLU A 8 4.087 3.500 4.255 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.444 4.224 5.212 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.882 3.145 3.358 1.00 0.00 O ATOM 0 H GLU A 8 -0.104 2.905 6.181 1.00 0.00 H new ATOM 0 HA GLU A 8 0.696 1.152 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.412 2.269 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.937 1.071 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.481 2.695 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.995 3.894 4.295 1.00 0.00 H new ATOM 139 N ILE A 9 -0.045 -0.894 5.289 1.00 0.00 N ATOM 140 CA ILE A 9 -0.525 -2.059 6.094 1.00 0.00 C ATOM 141 C ILE A 9 0.487 -3.246 5.940 1.00 0.00 C ATOM 142 O ILE A 9 0.947 -3.578 4.840 1.00 0.00 O ATOM 143 CB ILE A 9 -1.966 -2.522 5.680 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.034 -1.402 5.578 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.514 -3.677 6.554 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.291 -0.572 6.833 1.00 0.00 C ATOM 0 H ILE A 9 -0.163 -1.009 4.282 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.581 -1.743 7.136 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.801 -2.883 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.738 -0.723 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.976 -1.859 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.514 -3.948 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.855 -4.541 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.559 -3.356 7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.058 0.174 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.628 -1.225 7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.370 -0.071 7.133 1.00 0.00 H new ATOM 158 N THR A 10 0.747 -3.920 7.063 1.00 0.00 N ATOM 159 CA THR A 10 1.708 -5.045 7.150 1.00 0.00 C ATOM 160 C THR A 10 1.172 -6.378 6.531 1.00 0.00 C ATOM 161 O THR A 10 -0.036 -6.597 6.394 1.00 0.00 O ATOM 162 CB THR A 10 2.037 -5.188 8.676 1.00 0.00 C ATOM 163 OG1 THR A 10 2.425 -3.944 9.262 1.00 0.00 O ATOM 164 CG2 THR A 10 3.169 -6.137 9.037 1.00 0.00 C ATOM 0 H THR A 10 0.296 -3.705 7.952 1.00 0.00 H new ATOM 0 HA THR A 10 2.599 -4.835 6.558 1.00 0.00 H new ATOM 0 HB THR A 10 1.095 -5.583 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.619 -4.077 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.301 -6.151 10.119 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.927 -7.141 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.091 -5.800 8.563 1.00 0.00 H new ATOM 172 N ALA A 11 2.107 -7.266 6.154 1.00 0.00 N ATOM 173 CA ALA A 11 1.789 -8.493 5.406 1.00 0.00 C ATOM 174 C ALA A 11 0.896 -9.552 6.114 1.00 0.00 C ATOM 175 O ALA A 11 1.268 -10.148 7.128 1.00 0.00 O ATOM 176 CB ALA A 11 3.108 -9.119 4.931 1.00 0.00 C ATOM 0 H ALA A 11 3.100 -7.154 6.358 1.00 0.00 H new ATOM 0 HA ALA A 11 1.156 -8.171 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.898 -10.031 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.635 -8.414 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.730 -9.357 5.794 1.00 0.00 H new ATOM 382 N SER A 24 1.767 -15.318 1.661 1.00 0.00 N ATOM 383 CA SER A 24 1.787 -14.114 0.799 1.00 0.00 C ATOM 384 C SER A 24 2.358 -12.851 1.485 1.00 0.00 C ATOM 385 O SER A 24 1.939 -12.472 2.580 1.00 0.00 O ATOM 386 CB SER A 24 0.349 -13.848 0.290 1.00 0.00 C ATOM 387 OG SER A 24 -0.557 -13.463 1.323 1.00 0.00 O ATOM 0 HA SER A 24 2.466 -14.322 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.379 -13.064 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.028 -14.747 -0.197 1.00 0.00 H new ATOM 0 HG SER A 24 -1.445 -13.308 0.938 1.00 0.00 H new ATOM 393 N LYS A 25 3.273 -12.159 0.793 1.00 0.00 N ATOM 394 CA LYS A 25 3.756 -10.826 1.232 1.00 0.00 C ATOM 395 C LYS A 25 2.788 -9.704 0.721 1.00 0.00 C ATOM 396 O LYS A 25 2.915 -9.206 -0.400 1.00 0.00 O ATOM 397 CB LYS A 25 5.217 -10.603 0.780 1.00 0.00 C ATOM 398 CG LYS A 25 6.319 -11.197 1.678 1.00 0.00 C ATOM 399 CD LYS A 25 6.392 -12.733 1.723 1.00 0.00 C ATOM 400 CE LYS A 25 5.866 -13.338 3.034 1.00 0.00 C ATOM 401 NZ LYS A 25 5.912 -14.821 2.938 1.00 0.00 N ATOM 0 H LYS A 25 3.698 -12.492 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 25 3.753 -10.781 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.331 -11.021 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.387 -9.530 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.282 -10.816 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.171 -10.829 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.819 -13.140 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.427 -13.043 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.470 -12.997 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.845 -13.005 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.557 -15.237 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.318 -15.136 2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.893 -15.128 2.780 1.00 0.00 H new ATOM 415 N ALA A 26 1.822 -9.334 1.575 1.00 0.00 N ATOM 416 CA ALA A 26 0.838 -8.268 1.283 1.00 0.00 C ATOM 417 C ALA A 26 1.382 -6.859 1.639 1.00 0.00 C ATOM 418 O ALA A 26 1.748 -6.585 2.783 1.00 0.00 O ATOM 419 CB ALA A 26 -0.422 -8.617 2.082 1.00 0.00 C ATOM 0 H ALA A 26 1.697 -9.764 2.492 1.00 0.00 H new ATOM 0 HA ALA A 26 0.621 -8.223 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.187 -7.861 1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.795 -9.591 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.182 -8.648 3.145 1.00 0.00 H new ATOM 425 N LYS A 27 1.472 -5.984 0.634 1.00 0.00 N ATOM 426 CA LYS A 27 2.127 -4.657 0.795 1.00 0.00 C ATOM 427 C LYS A 27 1.119 -3.571 0.311 1.00 0.00 C ATOM 428 O LYS A 27 0.940 -3.363 -0.898 1.00 0.00 O ATOM 429 CB LYS A 27 3.462 -4.583 0.028 1.00 0.00 C ATOM 430 CG LYS A 27 4.471 -5.731 0.208 1.00 0.00 C ATOM 431 CD LYS A 27 5.324 -5.610 1.472 1.00 0.00 C ATOM 432 CE LYS A 27 5.338 -6.851 2.361 1.00 0.00 C ATOM 433 NZ LYS A 27 6.078 -6.509 3.607 1.00 0.00 N ATOM 0 H LYS A 27 1.105 -6.158 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 27 2.379 -4.489 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.231 -4.507 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.959 -3.656 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.930 -6.677 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.128 -5.764 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.348 -5.379 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.961 -4.766 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.321 -7.165 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.819 -7.684 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.104 -7.338 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.050 -6.226 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.598 -5.724 4.091 1.00 0.00 H new ATOM 447 N ARG A 28 0.408 -2.957 1.268 1.00 0.00 N ATOM 448 CA ARG A 28 -0.761 -2.088 0.968 1.00 0.00 C ATOM 449 C ARG A 28 -0.391 -0.628 1.323 1.00 0.00 C ATOM 450 O ARG A 28 -0.398 -0.279 2.503 1.00 0.00 O ATOM 451 CB ARG A 28 -2.049 -2.511 1.729 1.00 0.00 C ATOM 452 CG ARG A 28 -2.395 -4.005 1.716 1.00 0.00 C ATOM 453 CD ARG A 28 -3.700 -4.309 2.471 1.00 0.00 C ATOM 454 NE ARG A 28 -3.922 -5.769 2.337 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.006 -6.435 2.704 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.058 -5.881 3.247 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.019 -7.719 2.509 1.00 0.00 N ATOM 0 H ARG A 28 0.616 -3.041 2.263 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.988 -2.188 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.951 -2.193 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.890 -1.963 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.487 -4.345 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.578 -4.569 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.620 -4.022 3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.534 -3.748 2.050 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.166 -6.313 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.077 -4.875 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.860 -6.455 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.212 -8.179 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.836 -8.267 2.778 1.00 0.00 H new ATOM 471 N GLU A 29 -0.027 0.178 0.321 1.00 0.00 N ATOM 472 CA GLU A 29 0.668 1.466 0.553 1.00 0.00 C ATOM 473 C GLU A 29 0.122 2.562 -0.412 1.00 0.00 C ATOM 474 O GLU A 29 -0.021 2.334 -1.620 1.00 0.00 O ATOM 475 CB GLU A 29 2.210 1.362 0.394 1.00 0.00 C ATOM 476 CG GLU A 29 2.946 0.477 1.413 1.00 0.00 C ATOM 477 CD GLU A 29 3.465 -0.883 0.991 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.394 -1.255 -0.195 1.00 0.00 O ATOM 479 OE2 GLU A 29 4.002 -1.593 1.868 1.00 0.00 O ATOM 0 H GLU A 29 -0.198 -0.031 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 29 0.464 1.741 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.425 0.983 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.627 2.367 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.796 1.048 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.272 0.321 2.255 1.00 0.00 H new ATOM 486 N ALA A 30 -0.144 3.759 0.122 1.00 0.00 N ATOM 487 CA ALA A 30 -0.490 4.939 -0.699 1.00 0.00 C ATOM 488 C ALA A 30 0.743 5.779 -1.159 1.00 0.00 C ATOM 489 O ALA A 30 1.458 6.286 -0.291 1.00 0.00 O ATOM 490 CB ALA A 30 -1.424 5.781 0.183 1.00 0.00 C ATOM 0 H ALA A 30 -0.128 3.943 1.125 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.954 4.617 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.725 6.678 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.308 5.197 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.902 6.067 1.096 1.00 0.00 H new ATOM 496 N PRO A 31 0.973 6.027 -2.478 1.00 0.00 N ATOM 497 CA PRO A 31 1.979 7.041 -2.938 1.00 0.00 C ATOM 498 C PRO A 31 1.307 8.420 -3.217 1.00 0.00 C ATOM 499 O PRO A 31 0.814 9.056 -2.280 1.00 0.00 O ATOM 500 CB PRO A 31 2.634 6.263 -4.106 1.00 0.00 C ATOM 501 CG PRO A 31 1.470 5.488 -4.757 1.00 0.00 C ATOM 502 CD PRO A 31 0.589 5.087 -3.560 1.00 0.00 C ATOM 0 HA PRO A 31 2.742 7.371 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.107 6.940 -4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.409 5.586 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.923 6.108 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.826 4.615 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.470 5.173 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.766 4.052 -3.267 1.00 0.00 H new ATOM 510 N ILE A 32 1.288 8.895 -4.470 1.00 0.00 N ATOM 511 CA ILE A 32 1.015 10.316 -4.812 1.00 0.00 C ATOM 512 C ILE A 32 -0.168 10.462 -5.817 1.00 0.00 C ATOM 513 O ILE A 32 -0.217 9.781 -6.845 1.00 0.00 O ATOM 514 CB ILE A 32 2.295 11.055 -5.385 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.049 10.316 -6.511 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.245 11.401 -4.221 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.089 11.154 -7.248 1.00 0.00 C ATOM 0 H ILE A 32 1.461 8.308 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 32 0.734 10.795 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 32 1.923 11.958 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.543 9.443 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.321 9.948 -7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.127 11.910 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.732 12.054 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.548 10.485 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.564 10.548 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.603 12.013 -7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.844 11.500 -6.542 1.00 0.00 H new ATOM 529 N LYS A 33 -1.064 11.433 -5.559 1.00 0.00 N ATOM 530 CA LYS A 33 -2.095 11.853 -6.556 1.00 0.00 C ATOM 531 C LYS A 33 -1.587 12.541 -7.869 1.00 0.00 C ATOM 532 O LYS A 33 -2.254 12.436 -8.898 1.00 0.00 O ATOM 533 CB LYS A 33 -3.152 12.756 -5.864 1.00 0.00 C ATOM 534 CG LYS A 33 -4.563 12.700 -6.481 1.00 0.00 C ATOM 535 CD LYS A 33 -5.273 11.340 -6.549 1.00 0.00 C ATOM 536 CE LYS A 33 -5.593 10.572 -5.255 1.00 0.00 C ATOM 537 NZ LYS A 33 -4.373 10.180 -4.505 1.00 0.00 N ATOM 0 H LYS A 33 -1.104 11.945 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.519 10.912 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.220 12.471 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.801 13.787 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.200 13.380 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.498 13.093 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.215 11.492 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.661 10.686 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.224 11.191 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.167 9.678 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.580 9.348 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.612 9.949 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.071 10.968 -3.897 1.00 0.00 H new ATOM 551 N TYR A 34 -0.428 13.213 -7.817 1.00 0.00 N ATOM 552 CA TYR A 34 0.234 13.779 -9.024 1.00 0.00 C ATOM 553 C TYR A 34 0.708 12.748 -10.108 1.00 0.00 C ATOM 554 O TYR A 34 0.687 13.096 -11.288 1.00 0.00 O ATOM 555 CB TYR A 34 1.386 14.692 -8.535 1.00 0.00 C ATOM 556 CG TYR A 34 1.829 15.752 -9.550 1.00 0.00 C ATOM 557 CD1 TYR A 34 1.040 16.889 -9.796 1.00 0.00 C ATOM 558 CD2 TYR A 34 3.047 15.618 -10.231 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.468 17.869 -10.693 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.475 16.603 -11.125 1.00 0.00 C ATOM 561 CZ TYR A 34 2.686 17.728 -11.353 1.00 0.00 C ATOM 562 OH TYR A 34 3.091 18.697 -12.221 1.00 0.00 O ATOM 0 H TYR A 34 0.081 13.384 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.522 14.342 -9.572 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.073 15.192 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.244 14.069 -8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.095 17.005 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.660 14.745 -10.063 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.853 18.738 -10.875 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.418 16.492 -11.639 1.00 0.00 H new ATOM 0 HH TYR A 34 3.961 18.454 -12.600 1.00 0.00 H new ATOM 572 N TRP A 35 1.106 11.519 -9.722 1.00 0.00 N ATOM 573 CA TRP A 35 1.362 10.415 -10.693 1.00 0.00 C ATOM 574 C TRP A 35 0.177 9.409 -10.849 1.00 0.00 C ATOM 575 O TRP A 35 -0.145 9.078 -11.991 1.00 0.00 O ATOM 576 CB TRP A 35 2.693 9.733 -10.310 1.00 0.00 C ATOM 577 CG TRP A 35 3.364 8.875 -11.436 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.783 9.339 -12.715 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.825 7.549 -11.378 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.476 8.354 -13.440 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.497 7.261 -12.599 1.00 0.00 C ATOM 582 CE3 TRP A 35 3.785 6.564 -10.342 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.129 5.996 -12.784 1.00 0.00 C ATOM 584 CZ3 TRP A 35 4.403 5.334 -10.553 1.00 0.00 C ATOM 585 CH2 TRP A 35 5.068 5.053 -11.760 1.00 0.00 C ATOM 0 H TRP A 35 1.259 11.258 -8.748 1.00 0.00 H new ATOM 0 HA TRP A 35 1.447 10.847 -11.690 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.398 10.503 -9.997 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.516 9.092 -9.446 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.590 10.335 -13.086 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.873 8.430 -14.376 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.282 6.771 -9.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.647 5.772 -13.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.371 4.584 -9.777 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.539 4.091 -11.895 1.00 0.00 H new ATOM 596 N LEU A 36 -0.443 8.901 -9.764 1.00 0.00 N ATOM 597 CA LEU A 36 -1.490 7.845 -9.861 1.00 0.00 C ATOM 598 C LEU A 36 -2.872 8.381 -9.352 1.00 0.00 C ATOM 599 O LEU A 36 -2.911 8.929 -8.243 1.00 0.00 O ATOM 600 CB LEU A 36 -1.086 6.587 -9.037 1.00 0.00 C ATOM 601 CG LEU A 36 0.261 5.928 -9.407 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.557 4.759 -8.457 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.329 5.427 -10.851 1.00 0.00 C ATOM 0 H LEU A 36 -0.242 9.200 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.582 7.568 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.053 6.865 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.873 5.840 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 36 1.012 6.711 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.509 4.302 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.609 5.127 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.237 4.016 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.305 4.977 -11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.450 4.683 -11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.181 6.264 -11.534 1.00 0.00 H new ATOM 615 N PRO A 37 -4.029 8.213 -10.052 1.00 0.00 N ATOM 616 CA PRO A 37 -5.346 8.766 -9.573 1.00 0.00 C ATOM 617 C PRO A 37 -5.985 8.172 -8.282 1.00 0.00 C ATOM 618 O PRO A 37 -6.911 8.777 -7.742 1.00 0.00 O ATOM 619 CB PRO A 37 -6.245 8.589 -10.825 1.00 0.00 C ATOM 620 CG PRO A 37 -5.657 7.366 -11.562 1.00 0.00 C ATOM 621 CD PRO A 37 -4.139 7.504 -11.346 1.00 0.00 C ATOM 0 HA PRO A 37 -5.209 9.789 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.285 8.420 -10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.225 9.478 -11.455 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.036 6.430 -11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.913 7.376 -12.621 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.650 6.531 -11.311 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.670 8.068 -12.152 1.00 0.00 H new ATOM 629 N HIS A 38 -5.493 7.031 -7.783 1.00 0.00 N ATOM 630 CA HIS A 38 -5.974 6.393 -6.536 1.00 0.00 C ATOM 631 C HIS A 38 -4.737 6.022 -5.662 1.00 0.00 C ATOM 632 O HIS A 38 -3.983 5.108 -6.009 1.00 0.00 O ATOM 633 CB HIS A 38 -6.785 5.163 -7.006 1.00 0.00 C ATOM 634 CG HIS A 38 -7.632 4.484 -5.934 1.00 0.00 C ATOM 635 ND1 HIS A 38 -7.179 3.424 -5.164 1.00 0.00 N ATOM 636 CD2 HIS A 38 -9.000 4.722 -5.665 1.00 0.00 C ATOM 637 CE1 HIS A 38 -8.328 3.081 -4.499 1.00 0.00 C ATOM 638 NE2 HIS A 38 -9.463 3.818 -4.726 1.00 0.00 N ATOM 0 H HIS A 38 -4.740 6.513 -8.235 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.603 7.031 -5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.441 5.472 -7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -6.092 4.428 -7.416 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.596 5.496 -6.125 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.339 2.248 -3.811 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.392 3.725 -4.315 1.00 0.00 H new ATOM 647 N SER A 39 -4.532 6.720 -4.532 1.00 0.00 N ATOM 648 CA SER A 39 -3.413 6.420 -3.603 1.00 0.00 C ATOM 649 C SER A 39 -3.802 5.338 -2.554 1.00 0.00 C ATOM 650 O SER A 39 -4.500 5.629 -1.577 1.00 0.00 O ATOM 651 CB SER A 39 -2.932 7.715 -2.898 1.00 0.00 C ATOM 652 OG SER A 39 -3.973 8.376 -2.177 1.00 0.00 O ATOM 0 H SER A 39 -5.122 7.497 -4.234 1.00 0.00 H new ATOM 0 HA SER A 39 -2.594 6.016 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.121 7.469 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.523 8.398 -3.643 1.00 0.00 H new ATOM 0 HG SER A 39 -4.536 7.709 -1.731 1.00 0.00 H new ATOM 658 N GLY A 40 -3.323 4.117 -2.781 1.00 0.00 N ATOM 659 CA GLY A 40 -3.555 2.966 -1.884 1.00 0.00 C ATOM 660 C GLY A 40 -3.512 1.664 -2.693 1.00 0.00 C ATOM 661 O GLY A 40 -4.545 1.204 -3.188 1.00 0.00 O ATOM 0 H GLY A 40 -2.757 3.887 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.797 2.944 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.521 3.067 -1.390 1.00 0.00 H new ATOM 665 N ALA A 41 -2.301 1.124 -2.863 1.00 0.00 N ATOM 666 CA ALA A 41 -2.038 -0.001 -3.784 1.00 0.00 C ATOM 667 C ALA A 41 -1.697 -1.298 -3.008 1.00 0.00 C ATOM 668 O ALA A 41 -0.653 -1.377 -2.359 1.00 0.00 O ATOM 669 CB ALA A 41 -0.853 0.430 -4.671 1.00 0.00 C ATOM 0 H ALA A 41 -1.471 1.450 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.922 -0.223 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.615 -0.369 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.120 1.331 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.016 0.632 -4.045 1.00 0.00 H new ATOM 675 N THR A 42 -2.567 -2.305 -3.106 1.00 0.00 N ATOM 676 CA THR A 42 -2.381 -3.626 -2.450 1.00 0.00 C ATOM 677 C THR A 42 -1.662 -4.641 -3.375 1.00 0.00 C ATOM 678 O THR A 42 -2.288 -5.244 -4.253 1.00 0.00 O ATOM 679 CB THR A 42 -3.749 -4.106 -1.883 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.618 -5.410 -1.323 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.945 -4.196 -2.823 1.00 0.00 C ATOM 0 H THR A 42 -3.431 -2.239 -3.644 1.00 0.00 H new ATOM 0 HA THR A 42 -1.702 -3.532 -1.603 1.00 0.00 H new ATOM 0 HB THR A 42 -3.972 -3.306 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.483 -5.702 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.817 -4.546 -2.270 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.153 -3.212 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.722 -4.895 -3.629 1.00 0.00 H new ATOM 689 N TRP A 43 -0.350 -4.859 -3.155 1.00 0.00 N ATOM 690 CA TRP A 43 0.389 -5.959 -3.832 1.00 0.00 C ATOM 691 C TRP A 43 0.405 -7.219 -2.909 1.00 0.00 C ATOM 692 O TRP A 43 1.202 -7.295 -1.969 1.00 0.00 O ATOM 693 CB TRP A 43 1.811 -5.489 -4.226 1.00 0.00 C ATOM 694 CG TRP A 43 2.485 -6.396 -5.336 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.461 -7.822 -5.443 1.00 0.00 C ATOM 696 CD2 TRP A 43 3.282 -5.993 -6.417 1.00 0.00 C ATOM 697 NE1 TRP A 43 3.195 -8.294 -6.537 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.718 -7.157 -7.108 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.708 -4.704 -6.865 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.628 -7.044 -8.193 1.00 0.00 C ATOM 701 CZ3 TRP A 43 4.596 -4.620 -7.934 1.00 0.00 C ATOM 702 CH2 TRP A 43 5.061 -5.779 -8.582 1.00 0.00 C ATOM 0 H TRP A 43 0.220 -4.298 -2.522 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.116 -6.235 -4.758 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.760 -4.462 -4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.443 -5.483 -3.338 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.933 -8.465 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.315 -9.260 -6.841 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.346 -3.809 -6.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.979 -7.926 -8.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.933 -3.651 -8.271 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.766 -5.686 -9.395 1.00 0.00 H new ATOM 713 N SER A 44 -0.447 -8.208 -3.207 1.00 0.00 N ATOM 714 CA SER A 44 -0.459 -9.514 -2.495 1.00 0.00 C ATOM 715 C SER A 44 0.444 -10.575 -3.180 1.00 0.00 C ATOM 716 O SER A 44 0.005 -11.319 -4.062 1.00 0.00 O ATOM 717 CB SER A 44 -1.935 -9.962 -2.309 1.00 0.00 C ATOM 718 OG SER A 44 -2.657 -10.074 -3.536 1.00 0.00 O ATOM 0 H SER A 44 -1.149 -8.137 -3.944 1.00 0.00 H new ATOM 0 HA SER A 44 -0.014 -9.398 -1.507 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.952 -10.925 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.444 -9.248 -1.661 1.00 0.00 H new ATOM 0 HG SER A 44 -2.102 -10.532 -4.201 1.00 0.00 H new ATOM 724 N GLY A 45 1.726 -10.634 -2.778 1.00 0.00 N ATOM 725 CA GLY A 45 2.701 -11.551 -3.413 1.00 0.00 C ATOM 726 C GLY A 45 4.175 -11.183 -3.197 1.00 0.00 C ATOM 727 O GLY A 45 4.878 -11.860 -2.443 1.00 0.00 O ATOM 0 H GLY A 45 2.112 -10.065 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.534 -12.557 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.503 -11.582 -4.484 1.00 0.00 H new ATOM 731 N ARG A 46 4.636 -10.151 -3.908 1.00 0.00 N ATOM 732 CA ARG A 46 6.055 -9.692 -3.891 1.00 0.00 C ATOM 733 C ARG A 46 6.262 -8.495 -2.920 1.00 0.00 C ATOM 734 O ARG A 46 5.386 -7.635 -2.761 1.00 0.00 O ATOM 735 CB ARG A 46 6.387 -9.376 -5.376 1.00 0.00 C ATOM 736 CG ARG A 46 7.798 -8.877 -5.733 1.00 0.00 C ATOM 737 CD ARG A 46 7.886 -7.347 -5.858 1.00 0.00 C ATOM 738 NE ARG A 46 9.309 -6.946 -5.969 1.00 0.00 N ATOM 739 CZ ARG A 46 9.747 -5.719 -6.222 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.959 -4.711 -6.507 1.00 0.00 N ATOM 741 NH2 ARG A 46 11.027 -5.504 -6.196 1.00 0.00 N ATOM 0 H ARG A 46 4.041 -9.596 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 46 6.740 -10.446 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.201 -10.281 -5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.675 -8.626 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.499 -9.214 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.109 -9.330 -6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.332 -7.010 -6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.429 -6.873 -4.989 1.00 0.00 H new ATOM 0 HE ARG A 46 10.011 -7.675 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.949 -4.848 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.356 -3.790 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.668 -6.269 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.391 -4.571 -6.387 1.00 0.00 H new ATOM 755 N GLY A 47 7.468 -8.399 -2.322 1.00 0.00 N ATOM 756 CA GLY A 47 7.874 -7.221 -1.507 1.00 0.00 C ATOM 757 C GLY A 47 8.130 -5.906 -2.270 1.00 0.00 C ATOM 758 O GLY A 47 9.256 -5.418 -2.363 1.00 0.00 O ATOM 0 H GLY A 47 8.184 -9.123 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.098 -7.038 -0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.782 -7.481 -0.962 1.00 0.00 H new ATOM 762 N LYS A 48 7.031 -5.311 -2.725 1.00 0.00 N ATOM 763 CA LYS A 48 6.956 -3.888 -3.127 1.00 0.00 C ATOM 764 C LYS A 48 6.890 -2.994 -1.864 1.00 0.00 C ATOM 765 O LYS A 48 5.955 -3.092 -1.071 1.00 0.00 O ATOM 766 CB LYS A 48 5.752 -3.795 -4.096 1.00 0.00 C ATOM 767 CG LYS A 48 5.100 -2.420 -4.358 1.00 0.00 C ATOM 768 CD LYS A 48 4.001 -2.116 -3.326 1.00 0.00 C ATOM 769 CE LYS A 48 2.875 -1.214 -3.820 1.00 0.00 C ATOM 770 NZ LYS A 48 2.038 -0.965 -2.622 1.00 0.00 N ATOM 0 H LYS A 48 6.144 -5.804 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 48 7.835 -3.518 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.074 -4.194 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.975 -4.460 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.862 -1.641 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.674 -2.402 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.569 -3.059 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.462 -1.650 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.265 -0.283 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.300 -1.695 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.122 -1.445 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.522 -1.332 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.882 0.058 -2.514 1.00 0.00 H new ATOM 784 N ILE A 49 7.893 -2.136 -1.690 1.00 0.00 N ATOM 785 CA ILE A 49 7.940 -1.158 -0.565 1.00 0.00 C ATOM 786 C ILE A 49 8.192 0.223 -1.243 1.00 0.00 C ATOM 787 O ILE A 49 9.313 0.415 -1.734 1.00 0.00 O ATOM 788 CB ILE A 49 9.069 -1.529 0.458 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.946 -2.963 1.037 1.00 0.00 C ATOM 790 CG2 ILE A 49 9.196 -0.509 1.614 1.00 0.00 C ATOM 791 CD1 ILE A 49 7.757 -3.246 1.940 1.00 0.00 C ATOM 0 H ILE A 49 8.700 -2.086 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 49 7.018 -1.151 0.017 1.00 0.00 H new ATOM 0 HB ILE A 49 9.981 -1.493 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.911 -3.663 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.855 -3.181 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.994 -0.821 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.429 0.475 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.255 -0.462 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.793 -4.283 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.792 -2.584 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.832 -3.074 1.389 1.00 0.00 H new ATOM 803 N PRO A 50 7.262 1.215 -1.301 1.00 0.00 N ATOM 804 CA PRO A 50 7.538 2.513 -2.014 1.00 0.00 C ATOM 805 C PRO A 50 8.346 3.596 -1.241 1.00 0.00 C ATOM 806 O PRO A 50 8.130 4.798 -1.401 1.00 0.00 O ATOM 807 CB PRO A 50 6.098 2.921 -2.404 1.00 0.00 C ATOM 808 CG PRO A 50 5.237 2.445 -1.211 1.00 0.00 C ATOM 809 CD PRO A 50 5.878 1.106 -0.796 1.00 0.00 C ATOM 0 HA PRO A 50 8.230 2.399 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.015 3.998 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.787 2.447 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.255 3.166 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.194 2.315 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.855 0.968 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.355 0.257 -1.237 1.00 0.00 H new ATOM 817 N LYS A 51 9.370 3.137 -0.515 1.00 0.00 N ATOM 818 CA LYS A 51 10.410 3.983 0.112 1.00 0.00 C ATOM 819 C LYS A 51 11.351 4.665 -0.912 1.00 0.00 C ATOM 820 O LYS A 51 11.306 5.896 -0.923 1.00 0.00 O ATOM 821 CB LYS A 51 11.131 3.162 1.218 1.00 0.00 C ATOM 822 CG LYS A 51 10.737 3.534 2.670 1.00 0.00 C ATOM 823 CD LYS A 51 9.223 3.435 2.957 1.00 0.00 C ATOM 824 CE LYS A 51 8.792 4.129 4.262 1.00 0.00 C ATOM 825 NZ LYS A 51 7.304 4.279 4.284 1.00 0.00 N ATOM 0 H LYS A 51 9.509 2.142 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 51 9.933 4.836 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.921 2.104 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.207 3.294 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.270 2.879 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.069 4.551 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.675 3.875 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.940 2.384 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.121 3.545 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.267 5.107 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.964 4.219 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.042 5.202 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.870 3.520 3.720 1.00 0.00 H new ATOM 839 N PRO A 52 12.132 4.012 -1.819 1.00 0.00 N ATOM 840 CA PRO A 52 12.862 4.749 -2.904 1.00 0.00 C ATOM 841 C PRO A 52 12.024 5.574 -3.920 1.00 0.00 C ATOM 842 O PRO A 52 12.570 6.517 -4.495 1.00 0.00 O ATOM 843 CB PRO A 52 13.708 3.627 -3.553 1.00 0.00 C ATOM 844 CG PRO A 52 12.900 2.334 -3.306 1.00 0.00 C ATOM 845 CD PRO A 52 12.274 2.544 -1.917 1.00 0.00 C ATOM 0 HA PRO A 52 13.438 5.573 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.853 3.806 -4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.699 3.567 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.136 2.189 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.541 1.453 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.311 2.041 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.911 2.149 -1.126 1.00 0.00 H new ATOM 853 N PHE A 53 10.721 5.278 -4.100 1.00 0.00 N ATOM 854 CA PHE A 53 9.808 6.157 -4.865 1.00 0.00 C ATOM 855 C PHE A 53 9.338 7.395 -4.060 1.00 0.00 C ATOM 856 O PHE A 53 9.698 8.494 -4.477 1.00 0.00 O ATOM 857 CB PHE A 53 8.675 5.295 -5.460 1.00 0.00 C ATOM 858 CG PHE A 53 7.723 6.085 -6.377 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.148 6.546 -7.637 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.439 6.430 -5.930 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.299 7.313 -8.434 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.586 7.184 -6.734 1.00 0.00 C ATOM 863 CZ PHE A 53 6.020 7.628 -7.982 1.00 0.00 C ATOM 0 H PHE A 53 10.276 4.439 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 53 10.347 6.610 -5.698 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.113 4.472 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.100 4.852 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.140 6.304 -7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.108 6.108 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.633 7.662 -9.400 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.591 7.424 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.361 8.219 -8.601 1.00 0.00 H new ATOM 873 N GLU A 54 8.580 7.268 -2.949 1.00 0.00 N ATOM 874 CA GLU A 54 8.136 8.465 -2.162 1.00 0.00 C ATOM 875 C GLU A 54 9.280 9.347 -1.534 1.00 0.00 C ATOM 876 O GLU A 54 9.081 10.554 -1.371 1.00 0.00 O ATOM 877 CB GLU A 54 7.051 8.039 -1.139 1.00 0.00 C ATOM 878 CG GLU A 54 6.211 9.221 -0.605 1.00 0.00 C ATOM 879 CD GLU A 54 5.067 8.878 0.338 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.177 7.914 1.125 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.056 9.618 0.327 1.00 0.00 O ATOM 0 H GLU A 54 8.263 6.374 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 54 7.700 9.157 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.386 7.313 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.531 7.536 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.881 9.909 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.798 9.758 -1.459 1.00 0.00 H new ATOM 888 N ALA A 55 10.464 8.767 -1.260 1.00 0.00 N ATOM 889 CA ALA A 55 11.701 9.523 -0.979 1.00 0.00 C ATOM 890 C ALA A 55 12.292 10.310 -2.181 1.00 0.00 C ATOM 891 O ALA A 55 12.514 11.507 -2.020 1.00 0.00 O ATOM 892 CB ALA A 55 12.742 8.544 -0.420 1.00 0.00 C ATOM 0 H ALA A 55 10.591 7.755 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 55 11.435 10.296 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.666 9.080 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.362 8.093 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.938 7.763 -1.155 1.00 0.00 H new ATOM 898 N TRP A 56 12.512 9.710 -3.369 1.00 0.00 N ATOM 899 CA TRP A 56 12.891 10.494 -4.592 1.00 0.00 C ATOM 900 C TRP A 56 11.785 11.486 -5.101 1.00 0.00 C ATOM 901 O TRP A 56 12.108 12.614 -5.478 1.00 0.00 O ATOM 902 CB TRP A 56 13.359 9.517 -5.689 1.00 0.00 C ATOM 903 CG TRP A 56 14.454 10.101 -6.649 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.341 11.233 -7.509 1.00 0.00 C ATOM 905 CD2 TRP A 56 15.751 9.616 -6.881 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.519 11.468 -8.238 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.372 10.458 -7.846 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.463 8.485 -6.357 1.00 0.00 C ATOM 909 CZ2 TRP A 56 17.696 10.175 -8.291 1.00 0.00 C ATOM 910 CZ3 TRP A 56 17.755 8.236 -6.812 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.365 9.071 -7.766 1.00 0.00 C ATOM 0 H TRP A 56 12.439 8.704 -3.520 1.00 0.00 H new ATOM 0 HA TRP A 56 13.713 11.154 -4.314 1.00 0.00 H new ATOM 0 HB2 TRP A 56 13.751 8.617 -5.215 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.496 9.215 -6.282 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.452 11.840 -7.591 1.00 0.00 H new ATOM 0 HE1 TRP A 56 15.702 12.217 -8.906 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.005 7.839 -5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.174 10.807 -9.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.299 7.387 -6.426 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.369 8.853 -8.097 1.00 0.00 H new ATOM 922 N ILE A 57 10.499 11.116 -4.996 1.00 0.00 N ATOM 923 CA ILE A 57 9.353 12.084 -5.038 1.00 0.00 C ATOM 924 C ILE A 57 9.267 13.116 -3.841 1.00 0.00 C ATOM 925 O ILE A 57 8.381 13.976 -3.854 1.00 0.00 O ATOM 926 CB ILE A 57 8.077 11.227 -5.307 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.025 10.591 -6.732 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.709 11.826 -4.992 1.00 0.00 C ATOM 929 CD1 ILE A 57 7.965 11.550 -7.913 1.00 0.00 C ATOM 0 H ILE A 57 10.208 10.145 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 57 9.496 12.801 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 57 8.237 10.464 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.904 9.958 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.153 9.938 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.930 11.103 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.656 12.073 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.563 12.730 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.933 10.981 -8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.071 12.168 -7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.849 12.188 -7.909 1.00 0.00 H new ATOM 941 N GLY A 58 10.186 13.100 -2.871 1.00 0.00 N ATOM 942 CA GLY A 58 10.348 14.159 -1.854 1.00 0.00 C ATOM 943 C GLY A 58 11.699 14.905 -1.803 1.00 0.00 C ATOM 944 O GLY A 58 11.675 16.083 -1.449 1.00 0.00 O ATOM 0 H GLY A 58 10.855 12.338 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.563 14.898 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.174 13.713 -0.875 1.00 0.00 H new ATOM 948 N THR A 59 12.834 14.269 -2.142 1.00 0.00 N ATOM 949 CA THR A 59 14.211 14.859 -2.013 1.00 0.00 C ATOM 950 C THR A 59 14.386 16.329 -2.535 1.00 0.00 C ATOM 951 O THR A 59 14.960 17.163 -1.836 1.00 0.00 O ATOM 952 CB THR A 59 15.246 13.903 -2.710 1.00 0.00 C ATOM 953 OG1 THR A 59 15.111 12.561 -2.259 1.00 0.00 O ATOM 954 CG2 THR A 59 16.705 14.258 -2.440 1.00 0.00 C ATOM 0 H THR A 59 12.839 13.321 -2.519 1.00 0.00 H new ATOM 0 HA THR A 59 14.392 14.939 -0.941 1.00 0.00 H new ATOM 0 HB THR A 59 15.017 14.019 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.182 12.270 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.353 13.550 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.907 15.266 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.898 14.212 -1.368 1.00 0.00 H new ATOM 962 N ALA A 60 13.855 16.604 -3.734 1.00 0.00 N ATOM 963 CA ALA A 60 13.605 17.989 -4.205 1.00 0.00 C ATOM 964 C ALA A 60 12.118 18.305 -4.572 1.00 0.00 C ATOM 965 O ALA A 60 11.703 19.455 -4.417 1.00 0.00 O ATOM 966 CB ALA A 60 14.545 18.269 -5.387 1.00 0.00 C ATOM 0 H ALA A 60 13.586 15.885 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 60 13.812 18.657 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.380 19.283 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.580 18.165 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.343 17.558 -6.188 1.00 0.00 H new ATOM 972 N ALA A 61 11.317 17.328 -5.035 1.00 0.00 N ATOM 973 CA ALA A 61 9.905 17.551 -5.415 1.00 0.00 C ATOM 974 C ALA A 61 8.889 17.946 -4.308 1.00 0.00 C ATOM 975 O ALA A 61 7.901 18.598 -4.643 1.00 0.00 O ATOM 976 CB ALA A 61 9.436 16.289 -6.148 1.00 0.00 C ATOM 0 H ALA A 61 11.627 16.364 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 61 9.912 18.451 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.395 16.408 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.053 16.131 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.526 15.429 -5.485 1.00 0.00 H new ATOM 982 N TYR A 62 9.140 17.606 -3.032 1.00 0.00 N ATOM 983 CA TYR A 62 8.316 18.059 -1.870 1.00 0.00 C ATOM 984 C TYR A 62 7.903 19.562 -1.836 1.00 0.00 C ATOM 985 O TYR A 62 6.722 19.841 -1.635 1.00 0.00 O ATOM 986 CB TYR A 62 9.051 17.654 -0.566 1.00 0.00 C ATOM 987 CG TYR A 62 8.256 17.794 0.746 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.116 17.014 0.986 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.683 18.685 1.747 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.419 17.119 2.188 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.980 18.791 2.952 1.00 0.00 C ATOM 992 CZ TYR A 62 6.848 18.012 3.170 1.00 0.00 C ATOM 993 OH TYR A 62 6.124 18.137 4.317 1.00 0.00 O ATOM 0 H TYR A 62 9.921 17.007 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 62 7.356 17.554 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.369 16.616 -0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.955 18.258 -0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.774 16.323 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.561 19.292 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.545 16.508 2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.316 19.478 3.714 1.00 0.00 H new ATOM 0 HH TYR A 62 6.551 18.796 4.903 1.00 0.00 H new ATOM 1003 N THR A 63 8.838 20.495 -2.069 1.00 0.00 N ATOM 1004 CA THR A 63 8.505 21.948 -2.178 1.00 0.00 C ATOM 1005 C THR A 63 7.505 22.348 -3.312 1.00 0.00 C ATOM 1006 O THR A 63 6.621 23.175 -3.079 1.00 0.00 O ATOM 1007 CB THR A 63 9.812 22.779 -2.154 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.500 24.146 -1.912 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.686 22.746 -3.400 1.00 0.00 C ATOM 0 H THR A 63 9.829 20.285 -2.187 1.00 0.00 H new ATOM 0 HA THR A 63 7.914 22.197 -1.297 1.00 0.00 H new ATOM 0 HB THR A 63 10.393 22.301 -1.365 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.327 24.672 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.566 23.371 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.999 21.721 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.120 23.123 -4.252 1.00 0.00 H new ATOM 1017 N ALA A 64 7.601 21.711 -4.495 1.00 0.00 N ATOM 1018 CA ALA A 64 6.540 21.800 -5.530 1.00 0.00 C ATOM 1019 C ALA A 64 5.224 21.028 -5.191 1.00 0.00 C ATOM 1020 O ALA A 64 4.136 21.580 -5.377 1.00 0.00 O ATOM 1021 CB ALA A 64 7.169 21.317 -6.848 1.00 0.00 C ATOM 0 H ALA A 64 8.396 21.131 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 64 6.204 22.835 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.426 21.363 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.015 21.956 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.513 20.289 -6.732 1.00 0.00 H new ATOM 1027 N TRP A 65 5.339 19.791 -4.687 1.00 0.00 N ATOM 1028 CA TRP A 65 4.208 18.969 -4.196 1.00 0.00 C ATOM 1029 C TRP A 65 3.303 19.616 -3.095 1.00 0.00 C ATOM 1030 O TRP A 65 2.079 19.581 -3.225 1.00 0.00 O ATOM 1031 CB TRP A 65 4.813 17.611 -3.724 1.00 0.00 C ATOM 1032 CG TRP A 65 3.941 16.399 -4.143 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.186 15.563 -5.257 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.723 15.960 -3.617 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.147 14.647 -5.461 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.241 14.925 -4.460 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.945 16.392 -2.496 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.960 14.357 -4.223 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.716 15.787 -2.265 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.217 14.796 -3.133 1.00 0.00 C ATOM 0 H TRP A 65 6.239 19.317 -4.605 1.00 0.00 H new ATOM 0 HA TRP A 65 3.507 18.850 -5.022 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.813 17.497 -4.141 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.920 17.621 -2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.069 15.624 -5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.076 13.934 -6.187 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.306 17.173 -1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.569 13.595 -4.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.133 16.082 -1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.758 14.370 -2.949 1.00 0.00 H new ATOM 1051 N LYS A 66 3.914 20.217 -2.064 1.00 0.00 N ATOM 1052 CA LYS A 66 3.204 20.986 -1.007 1.00 0.00 C ATOM 1053 C LYS A 66 2.394 22.239 -1.475 1.00 0.00 C ATOM 1054 O LYS A 66 1.352 22.522 -0.881 1.00 0.00 O ATOM 1055 CB LYS A 66 4.252 21.404 0.066 1.00 0.00 C ATOM 1056 CG LYS A 66 4.776 20.262 0.958 1.00 0.00 C ATOM 1057 CD LYS A 66 3.791 19.724 2.003 1.00 0.00 C ATOM 1058 CE LYS A 66 3.538 20.669 3.180 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.491 20.065 4.041 1.00 0.00 N ATOM 0 H LYS A 66 4.925 20.188 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 66 2.437 20.316 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.100 21.866 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.808 22.167 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.082 19.436 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.670 20.611 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.841 19.511 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.170 18.777 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.455 20.823 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.218 21.647 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.338 20.666 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.604 19.986 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.796 19.119 4.347 1.00 0.00 H new ATOM 1073 N ALA A 67 2.839 22.954 -2.521 1.00 0.00 N ATOM 1074 CA ALA A 67 1.990 23.946 -3.222 1.00 0.00 C ATOM 1075 C ALA A 67 0.796 23.366 -4.050 1.00 0.00 C ATOM 1076 O ALA A 67 -0.269 23.986 -4.058 1.00 0.00 O ATOM 1077 CB ALA A 67 2.927 24.794 -4.094 1.00 0.00 C ATOM 0 H ALA A 67 3.780 22.868 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 67 1.479 24.539 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.345 25.542 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.662 25.292 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.440 24.151 -4.809 1.00 0.00 H new ATOM 1083 N LYS A 68 0.946 22.207 -4.721 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.179 21.542 -5.435 1.00 0.00 C ATOM 1085 C LYS A 68 -1.233 20.828 -4.514 1.00 0.00 C ATOM 1086 O LYS A 68 -2.429 20.968 -4.771 1.00 0.00 O ATOM 1087 CB LYS A 68 0.396 20.516 -6.451 1.00 0.00 C ATOM 1088 CG LYS A 68 1.185 21.138 -7.626 1.00 0.00 C ATOM 1089 CD LYS A 68 2.417 20.292 -7.985 1.00 0.00 C ATOM 1090 CE LYS A 68 3.196 20.776 -9.220 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.824 22.111 -8.993 1.00 0.00 N ATOM 0 H LYS A 68 1.832 21.706 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.725 22.345 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.050 19.826 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.427 19.927 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.535 21.225 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.500 22.147 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.092 20.278 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.097 19.264 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.969 20.049 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.523 20.832 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.395 22.372 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.081 22.824 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.434 22.069 -8.152 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.808 20.039 -3.515 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.728 19.328 -2.584 1.00 0.00 C ATOM 1107 C HIS A 69 -1.242 19.495 -1.092 1.00 0.00 C ATOM 1108 O HIS A 69 -0.030 19.560 -0.865 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.828 17.844 -3.004 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.164 17.409 -3.635 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.798 16.250 -3.223 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.945 18.032 -4.652 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.926 16.276 -3.989 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -5.101 17.302 -4.871 1.00 0.00 N ATOM 0 H HIS A 69 0.179 19.870 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.725 19.765 -2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.028 17.633 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.646 17.225 -2.125 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.675 18.938 -5.174 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.669 15.497 -3.899 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.872 17.482 -5.515 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.125 19.561 -0.055 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.781 20.233 1.251 1.00 0.00 C ATOM 1125 C PRO A 70 -0.773 19.494 2.151 1.00 0.00 C ATOM 1126 O PRO A 70 0.415 19.830 2.144 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.186 20.511 1.859 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.070 19.376 1.280 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.575 19.282 -0.175 1.00 0.00 C ATOM 0 HA PRO A 70 -1.199 21.145 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.163 20.484 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.559 21.494 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.931 18.438 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.131 19.620 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.762 18.297 -0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.073 20.007 -0.818 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.208 18.489 2.912 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.313 17.422 3.414 1.00 0.00 C ATOM 1139 C ASP A 71 -0.970 16.056 3.067 1.00 0.00 C ATOM 1140 O ASP A 71 -1.507 15.361 3.928 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.078 17.673 4.915 1.00 0.00 C ATOM 1142 CG ASP A 71 1.138 16.940 5.459 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.267 17.330 5.084 1.00 0.00 O ATOM 1144 OD2 ASP A 71 0.981 15.996 6.259 1.00 0.00 O ATOM 0 H ASP A 71 -2.180 18.383 3.201 1.00 0.00 H new ATOM 0 HA ASP A 71 0.673 17.416 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.045 18.743 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.962 17.362 5.472 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.955 15.693 1.772 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.433 14.358 1.326 1.00 0.00 C ATOM 1151 C GLU A 72 -0.282 13.287 1.336 1.00 0.00 C ATOM 1152 O GLU A 72 -0.434 12.240 1.960 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.099 14.463 -0.076 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.051 13.292 -0.372 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.245 12.934 -1.833 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.389 12.239 -2.425 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.289 13.313 -2.398 1.00 0.00 O ATOM 0 H GLU A 72 -0.622 16.293 1.018 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.183 14.017 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.652 15.400 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.323 14.497 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.680 12.410 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.026 13.528 0.054 1.00 0.00 H new ATOM 1164 N LYS A 73 0.819 13.567 0.623 1.00 0.00 N ATOM 1165 CA LYS A 73 2.042 12.722 0.568 1.00 0.00 C ATOM 1166 C LYS A 73 2.819 12.694 1.910 1.00 0.00 C ATOM 1167 O LYS A 73 2.990 13.733 2.556 1.00 0.00 O ATOM 1168 CB LYS A 73 2.830 13.353 -0.609 1.00 0.00 C ATOM 1169 CG LYS A 73 4.071 12.629 -1.137 1.00 0.00 C ATOM 1170 CD LYS A 73 5.322 12.778 -0.269 1.00 0.00 C ATOM 1171 CE LYS A 73 6.653 12.859 -1.014 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.750 14.166 -1.714 1.00 0.00 N ATOM 0 H LYS A 73 0.895 14.408 0.050 1.00 0.00 H new ATOM 0 HA LYS A 73 1.835 11.664 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.138 13.473 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.137 14.353 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.840 11.568 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.294 13.002 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.213 13.677 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.365 11.933 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.481 12.747 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.730 12.043 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.355 14.066 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.801 14.475 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.162 14.874 -1.073 1.00 0.00 H new ATOM 1186 N PHE A 74 3.311 11.509 2.314 1.00 0.00 N ATOM 1187 CA PHE A 74 4.070 11.365 3.592 1.00 0.00 C ATOM 1188 C PHE A 74 5.496 12.013 3.500 1.00 0.00 C ATOM 1189 O PHE A 74 6.196 11.714 2.528 1.00 0.00 O ATOM 1190 CB PHE A 74 4.155 9.851 3.937 1.00 0.00 C ATOM 1191 CG PHE A 74 4.595 9.575 5.385 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.657 9.585 6.428 1.00 0.00 C ATOM 1193 CD2 PHE A 74 5.952 9.390 5.700 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.067 9.459 7.756 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.362 9.262 7.028 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.421 9.307 8.054 1.00 0.00 C ATOM 0 H PHE A 74 3.204 10.641 1.789 1.00 0.00 H new ATOM 0 HA PHE A 74 3.548 11.898 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.180 9.393 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.856 9.370 3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.607 9.691 6.201 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.684 9.346 4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.337 9.479 8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.408 9.128 7.260 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.740 9.224 9.082 1.00 0.00 H new ATOM 1206 N PRO A 75 5.991 12.859 4.445 1.00 0.00 N ATOM 1207 CA PRO A 75 7.309 13.566 4.281 1.00 0.00 C ATOM 1208 C PRO A 75 8.563 12.659 4.409 1.00 0.00 C ATOM 1209 O PRO A 75 9.246 12.601 5.434 1.00 0.00 O ATOM 1210 CB PRO A 75 7.197 14.692 5.340 1.00 0.00 C ATOM 1211 CG PRO A 75 6.275 14.114 6.437 1.00 0.00 C ATOM 1212 CD PRO A 75 5.246 13.287 5.648 1.00 0.00 C ATOM 0 HA PRO A 75 7.471 13.944 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.175 14.954 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.777 15.600 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.830 13.495 7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.796 14.904 7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.891 12.433 6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.370 13.881 5.387 1.00 0.00 H new ATOM 1220 N ALA A 76 8.842 11.961 3.299 1.00 0.00 N ATOM 1221 CA ALA A 76 9.903 10.944 3.226 1.00 0.00 C ATOM 1222 C ALA A 76 11.218 11.501 2.610 1.00 0.00 C ATOM 1223 O ALA A 76 11.233 12.117 1.539 1.00 0.00 O ATOM 1224 CB ALA A 76 9.348 9.788 2.374 1.00 0.00 C ATOM 0 H ALA A 76 8.336 12.086 2.422 1.00 0.00 H new ATOM 0 HA ALA A 76 10.166 10.611 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.101 9.004 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.454 9.383 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.095 10.157 1.380 1.00 0.00 H new ATOM 1230 N PHE A 77 12.317 11.234 3.311 1.00 0.00 N ATOM 1231 CA PHE A 77 13.695 11.554 2.856 1.00 0.00 C ATOM 1232 C PHE A 77 14.454 10.286 2.317 1.00 0.00 C ATOM 1233 O PHE A 77 14.081 9.166 2.692 1.00 0.00 O ATOM 1234 CB PHE A 77 14.427 12.246 4.044 1.00 0.00 C ATOM 1235 CG PHE A 77 14.786 11.364 5.257 1.00 0.00 C ATOM 1236 CD1 PHE A 77 13.863 11.148 6.295 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.032 10.721 5.321 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.174 10.298 7.358 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.343 9.872 6.384 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.413 9.660 7.399 1.00 0.00 C ATOM 0 H PHE A 77 12.290 10.783 4.226 1.00 0.00 H new ATOM 0 HA PHE A 77 13.665 12.232 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.348 12.688 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.801 13.066 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 77 12.904 11.644 6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.758 10.885 4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.456 10.135 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.304 9.380 6.420 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.652 9.000 8.220 1.00 0.00 H new ATOM 1250 N PRO A 78 15.535 10.383 1.497 1.00 0.00 N ATOM 1251 CA PRO A 78 16.328 9.179 1.078 1.00 0.00 C ATOM 1252 C PRO A 78 17.298 8.682 2.185 1.00 0.00 C ATOM 1253 O PRO A 78 18.365 9.261 2.412 1.00 0.00 O ATOM 1254 CB PRO A 78 17.028 9.701 -0.204 1.00 0.00 C ATOM 1255 CG PRO A 78 17.243 11.208 0.062 1.00 0.00 C ATOM 1256 CD PRO A 78 15.992 11.633 0.853 1.00 0.00 C ATOM 0 HA PRO A 78 15.730 8.285 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.975 9.189 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.412 9.537 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.155 11.386 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.335 11.768 -0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.228 12.399 1.591 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.226 12.047 0.197 1.00 0.00 H new ATOM 1264 N GLY A 79 16.888 7.606 2.876 1.00 0.00 N ATOM 1265 CA GLY A 79 17.633 7.057 4.025 1.00 0.00 C ATOM 1266 C GLY A 79 17.877 5.562 3.871 1.00 0.00 C ATOM 1267 O GLY A 79 17.191 4.710 4.434 1.00 0.00 O ATOM 0 H GLY A 79 16.034 7.093 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.588 7.574 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.076 7.243 4.943 1.00 0.00 H new