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 34 TYR OH : rot 180:sc= 0.663 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -157:sc= 1.11 (180deg=0.414) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 136:sc= 1.11 (180deg=0.374) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 164:sc= 2.07 (180deg=1.19) USER MOD Set 2.3: A 39 SER OG : rot 37:sc= 1.73 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.42 K(o=1.4,f=-4.8!) 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 -30:sc= 0.0453 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.66) USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= 0.226 (180deg=-0.00748) USER MOD Single : A 59 THR OG1 : rot 161:sc= 0.637 USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00321 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 1.77 (180deg=1.77) USER MOD Single : A 69 HIS : no HD1:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.341 (180deg=0.293) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 -6.823 12.519 0.010 1.00 0.00 N ATOM 53 CA LYS A 4 -6.888 11.596 1.173 1.00 0.00 C ATOM 54 C LYS A 4 -5.444 11.273 1.668 1.00 0.00 C ATOM 55 O LYS A 4 -4.608 10.795 0.891 1.00 0.00 O ATOM 56 CB LYS A 4 -7.632 10.289 0.760 1.00 0.00 C ATOM 57 CG LYS A 4 -7.961 9.372 1.960 1.00 0.00 C ATOM 58 CD LYS A 4 -8.293 7.930 1.531 1.00 0.00 C ATOM 59 CE LYS A 4 -8.438 7.013 2.762 1.00 0.00 C ATOM 60 NZ LYS A 4 -8.653 5.600 2.342 1.00 0.00 N ATOM 0 HA LYS A 4 -7.437 12.069 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.557 10.552 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.018 9.738 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.113 9.357 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.806 9.787 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.218 7.921 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.507 7.550 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.543 7.082 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.275 7.347 3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.748 4.998 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.520 5.536 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.841 5.278 1.777 1.00 0.00 H new ATOM 74 N GLN A 5 -5.197 11.449 2.976 1.00 0.00 N ATOM 75 CA GLN A 5 -3.945 10.980 3.631 1.00 0.00 C ATOM 76 C GLN A 5 -3.734 9.422 3.588 1.00 0.00 C ATOM 77 O GLN A 5 -4.596 8.637 3.177 1.00 0.00 O ATOM 78 CB GLN A 5 -3.863 11.557 5.076 1.00 0.00 C ATOM 79 CG GLN A 5 -2.769 12.630 5.271 1.00 0.00 C ATOM 80 CD GLN A 5 -1.315 12.180 5.136 1.00 0.00 C ATOM 81 OE1 GLN A 5 -0.966 11.005 5.180 1.00 0.00 O ATOM 82 NE2 GLN A 5 -0.407 13.103 4.959 1.00 0.00 N ATOM 0 H GLN A 5 -5.846 11.914 3.611 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.112 11.369 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.829 11.988 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.680 10.738 5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.944 13.426 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.897 13.066 6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.679 14.085 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.574 12.841 4.860 1.00 0.00 H new ATOM 91 N LYS A 6 -2.512 9.005 3.913 1.00 0.00 N ATOM 92 CA LYS A 6 -1.942 7.724 3.448 1.00 0.00 C ATOM 93 C LYS A 6 -2.317 6.508 4.341 1.00 0.00 C ATOM 94 O LYS A 6 -2.586 6.629 5.538 1.00 0.00 O ATOM 95 CB LYS A 6 -0.402 7.862 3.339 1.00 0.00 C ATOM 96 CG LYS A 6 0.182 9.027 2.532 1.00 0.00 C ATOM 97 CD LYS A 6 -0.081 9.119 1.034 1.00 0.00 C ATOM 98 CE LYS A 6 -1.478 9.515 0.568 1.00 0.00 C ATOM 99 NZ LYS A 6 -1.369 10.106 -0.791 1.00 0.00 N ATOM 0 H LYS A 6 -1.880 9.541 4.508 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.379 7.516 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.005 7.931 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.018 6.937 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.183 9.950 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.263 9.009 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.625 9.837 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.153 8.149 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.133 8.644 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.919 10.233 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.125 9.726 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.462 11.140 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.444 9.866 -1.201 1.00 0.00 H new ATOM 113 N SER A 7 -2.333 5.323 3.725 1.00 0.00 N ATOM 114 CA SER A 7 -2.561 4.046 4.449 1.00 0.00 C ATOM 115 C SER A 7 -1.377 3.100 4.168 1.00 0.00 C ATOM 116 O SER A 7 -1.219 2.678 3.023 1.00 0.00 O ATOM 117 CB SER A 7 -3.890 3.424 3.954 1.00 0.00 C ATOM 118 OG SER A 7 -4.984 4.263 4.315 1.00 0.00 O ATOM 0 H SER A 7 -2.191 5.210 2.721 1.00 0.00 H new ATOM 0 HA SER A 7 -2.630 4.215 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.861 3.296 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.022 2.433 4.389 1.00 0.00 H new ATOM 0 HG SER A 7 -5.821 3.864 3.997 1.00 0.00 H new ATOM 124 N GLU A 8 -0.573 2.788 5.191 1.00 0.00 N ATOM 125 CA GLU A 8 0.505 1.773 5.081 1.00 0.00 C ATOM 126 C GLU A 8 0.109 0.538 5.956 1.00 0.00 C ATOM 127 O GLU A 8 0.231 0.578 7.184 1.00 0.00 O ATOM 128 CB GLU A 8 1.878 2.363 5.493 1.00 0.00 C ATOM 129 CG GLU A 8 2.417 3.467 4.554 1.00 0.00 C ATOM 130 CD GLU A 8 3.924 3.682 4.667 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.678 3.013 3.927 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.377 4.528 5.465 1.00 0.00 O ATOM 0 H GLU A 8 -0.642 3.221 6.112 1.00 0.00 H new ATOM 0 HA GLU A 8 0.613 1.456 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.795 2.771 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.607 1.554 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.171 3.208 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.907 4.404 4.778 1.00 0.00 H new ATOM 139 N ILE A 9 -0.415 -0.531 5.328 1.00 0.00 N ATOM 140 CA ILE A 9 -0.990 -1.692 6.066 1.00 0.00 C ATOM 141 C ILE A 9 -0.036 -2.928 5.935 1.00 0.00 C ATOM 142 O ILE A 9 0.494 -3.257 4.868 1.00 0.00 O ATOM 143 CB ILE A 9 -2.436 -2.048 5.576 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.440 -0.865 5.514 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.071 -3.213 6.376 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.720 -0.128 6.823 1.00 0.00 C ATOM 0 H ILE A 9 -0.456 -0.623 4.313 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.075 -1.412 7.116 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.261 -2.357 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.067 -0.141 4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.387 -1.243 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.071 -3.415 5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.455 -4.106 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.135 -2.939 7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.436 0.674 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.132 -0.825 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.792 0.294 7.209 1.00 0.00 H new ATOM 158 N THR A 10 0.070 -3.644 7.053 1.00 0.00 N ATOM 159 CA THR A 10 0.917 -4.845 7.221 1.00 0.00 C ATOM 160 C THR A 10 0.485 -6.074 6.365 1.00 0.00 C ATOM 161 O THR A 10 -0.662 -6.202 5.918 1.00 0.00 O ATOM 162 CB THR A 10 0.849 -5.146 8.763 1.00 0.00 C ATOM 163 OG1 THR A 10 1.251 -4.010 9.528 1.00 0.00 O ATOM 164 CG2 THR A 10 1.726 -6.272 9.287 1.00 0.00 C ATOM 0 H THR A 10 -0.444 -3.404 7.900 1.00 0.00 H new ATOM 0 HA THR A 10 1.928 -4.655 6.861 1.00 0.00 H new ATOM 0 HB THR A 10 -0.196 -5.432 8.879 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.198 -4.223 10.483 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.583 -6.374 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.453 -7.205 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.772 -6.045 9.079 1.00 0.00 H new ATOM 172 N ALA A 11 1.440 -6.995 6.167 1.00 0.00 N ATOM 173 CA ALA A 11 1.218 -8.234 5.405 1.00 0.00 C ATOM 174 C ALA A 11 0.171 -9.215 5.992 1.00 0.00 C ATOM 175 O ALA A 11 0.180 -9.550 7.178 1.00 0.00 O ATOM 176 CB ALA A 11 2.585 -8.921 5.247 1.00 0.00 C ATOM 0 H ALA A 11 2.388 -6.902 6.531 1.00 0.00 H new ATOM 0 HA ALA A 11 0.779 -7.948 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.464 -9.847 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.265 -8.259 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.996 -9.145 6.232 1.00 0.00 H new ATOM 382 N SER A 24 2.675 -14.937 2.142 1.00 0.00 N ATOM 383 CA SER A 24 2.732 -13.945 1.050 1.00 0.00 C ATOM 384 C SER A 24 3.228 -12.561 1.524 1.00 0.00 C ATOM 385 O SER A 24 2.680 -11.986 2.471 1.00 0.00 O ATOM 386 CB SER A 24 1.322 -13.852 0.407 1.00 0.00 C ATOM 387 OG SER A 24 0.283 -13.510 1.326 1.00 0.00 O ATOM 0 HA SER A 24 3.462 -14.276 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.346 -13.109 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.082 -14.809 -0.056 1.00 0.00 H new ATOM 0 HG SER A 24 0.512 -13.845 2.218 1.00 0.00 H new ATOM 393 N LYS A 25 4.240 -12.008 0.834 1.00 0.00 N ATOM 394 CA LYS A 25 4.776 -10.660 1.159 1.00 0.00 C ATOM 395 C LYS A 25 3.778 -9.571 0.646 1.00 0.00 C ATOM 396 O LYS A 25 3.721 -9.246 -0.546 1.00 0.00 O ATOM 397 CB LYS A 25 6.187 -10.436 0.565 1.00 0.00 C ATOM 398 CG LYS A 25 7.370 -11.081 1.315 1.00 0.00 C ATOM 399 CD LYS A 25 7.445 -12.612 1.218 1.00 0.00 C ATOM 400 CE LYS A 25 8.697 -13.175 1.907 1.00 0.00 C ATOM 401 NZ LYS A 25 8.654 -14.663 1.852 1.00 0.00 N ATOM 0 H LYS A 25 4.706 -12.465 0.050 1.00 0.00 H new ATOM 0 HA LYS A 25 4.877 -10.584 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.188 -10.812 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.365 -9.362 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.298 -10.662 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.309 -10.801 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.555 -13.047 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.445 -12.909 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.596 -12.806 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.740 -12.838 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.499 -15.052 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.802 -15.004 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.631 -14.973 0.860 1.00 0.00 H new ATOM 415 N ALA A 26 2.966 -9.079 1.584 1.00 0.00 N ATOM 416 CA ALA A 26 1.778 -8.262 1.275 1.00 0.00 C ATOM 417 C ALA A 26 1.944 -6.826 1.813 1.00 0.00 C ATOM 418 O ALA A 26 2.334 -6.598 2.961 1.00 0.00 O ATOM 419 CB ALA A 26 0.571 -9.012 1.846 1.00 0.00 C ATOM 0 H ALA A 26 3.109 -9.233 2.582 1.00 0.00 H new ATOM 0 HA ALA A 26 1.634 -8.132 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.338 -8.446 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.499 -9.994 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.692 -9.130 2.923 1.00 0.00 H new ATOM 425 N LYS A 27 1.700 -5.853 0.935 1.00 0.00 N ATOM 426 CA LYS A 27 1.957 -4.428 1.239 1.00 0.00 C ATOM 427 C LYS A 27 0.862 -3.544 0.579 1.00 0.00 C ATOM 428 O LYS A 27 0.655 -3.584 -0.642 1.00 0.00 O ATOM 429 CB LYS A 27 3.375 -4.051 0.752 1.00 0.00 C ATOM 430 CG LYS A 27 4.475 -4.168 1.828 1.00 0.00 C ATOM 431 CD LYS A 27 5.358 -5.414 1.693 1.00 0.00 C ATOM 432 CE LYS A 27 5.877 -5.987 3.028 1.00 0.00 C ATOM 433 NZ LYS A 27 6.704 -5.015 3.805 1.00 0.00 N ATOM 0 H LYS A 27 1.323 -6.017 0.002 1.00 0.00 H new ATOM 0 HA LYS A 27 1.913 -4.257 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.638 -4.692 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.357 -3.027 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.108 -3.282 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.006 -4.174 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.792 -6.189 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.213 -5.170 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.028 -6.299 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.470 -6.879 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.022 -5.459 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.532 -4.735 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.135 -4.173 4.026 1.00 0.00 H new ATOM 447 N ARG A 28 0.179 -2.747 1.409 1.00 0.00 N ATOM 448 CA ARG A 28 -0.907 -1.845 0.957 1.00 0.00 C ATOM 449 C ARG A 28 -0.444 -0.400 1.303 1.00 0.00 C ATOM 450 O ARG A 28 -0.487 -0.022 2.475 1.00 0.00 O ATOM 451 CB ARG A 28 -2.279 -2.175 1.617 1.00 0.00 C ATOM 452 CG ARG A 28 -2.652 -3.667 1.668 1.00 0.00 C ATOM 453 CD ARG A 28 -3.999 -3.952 2.341 1.00 0.00 C ATOM 454 NE ARG A 28 -4.352 -5.393 2.201 1.00 0.00 N ATOM 455 CZ ARG A 28 -3.905 -6.386 2.969 1.00 0.00 C ATOM 456 NH1 ARG A 28 -3.074 -6.218 3.968 1.00 0.00 N ATOM 457 NH2 ARG A 28 -4.316 -7.592 2.707 1.00 0.00 N ATOM 0 H ARG A 28 0.357 -2.703 2.412 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.075 -1.967 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.275 -1.785 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.060 -1.642 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.676 -4.060 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.870 -4.208 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.950 -3.683 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.776 -3.335 1.891 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.994 -5.642 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.732 -5.284 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.769 -7.021 4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.961 -7.754 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.994 -8.375 3.275 1.00 0.00 H new ATOM 471 N GLU A 29 0.038 0.355 0.305 1.00 0.00 N ATOM 472 CA GLU A 29 0.646 1.690 0.537 1.00 0.00 C ATOM 473 C GLU A 29 0.063 2.711 -0.479 1.00 0.00 C ATOM 474 O GLU A 29 -0.008 2.450 -1.689 1.00 0.00 O ATOM 475 CB GLU A 29 2.193 1.711 0.434 1.00 0.00 C ATOM 476 CG GLU A 29 2.936 1.027 1.597 1.00 0.00 C ATOM 477 CD GLU A 29 3.263 -0.428 1.366 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.881 -0.733 0.324 1.00 0.00 O ATOM 479 OE2 GLU A 29 2.897 -1.275 2.205 1.00 0.00 O ATOM 0 H GLU A 29 0.022 0.071 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 29 0.396 1.957 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.486 1.227 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.523 2.748 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.863 1.568 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.328 1.110 2.498 1.00 0.00 H new ATOM 486 N ALA A 30 -0.299 3.894 0.026 1.00 0.00 N ATOM 487 CA ALA A 30 -0.541 5.071 -0.825 1.00 0.00 C ATOM 488 C ALA A 30 0.757 5.890 -1.117 1.00 0.00 C ATOM 489 O ALA A 30 1.392 6.335 -0.158 1.00 0.00 O ATOM 490 CB ALA A 30 -1.570 5.936 -0.089 1.00 0.00 C ATOM 0 H ALA A 30 -0.432 4.066 1.023 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.904 4.747 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.786 6.826 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.487 5.366 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.169 6.232 0.880 1.00 0.00 H new ATOM 496 N PRO A 31 1.138 6.168 -2.390 1.00 0.00 N ATOM 497 CA PRO A 31 2.198 7.184 -2.704 1.00 0.00 C ATOM 498 C PRO A 31 1.566 8.551 -3.101 1.00 0.00 C ATOM 499 O PRO A 31 0.906 9.192 -2.273 1.00 0.00 O ATOM 500 CB PRO A 31 3.024 6.388 -3.743 1.00 0.00 C ATOM 501 CG PRO A 31 1.970 5.612 -4.563 1.00 0.00 C ATOM 502 CD PRO A 31 0.898 5.238 -3.523 1.00 0.00 C ATOM 0 HA PRO A 31 2.846 7.535 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.610 7.053 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.726 5.711 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.555 6.225 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.400 4.726 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.107 5.357 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.994 4.198 -3.210 1.00 0.00 H new ATOM 510 N ILE A 32 1.763 8.995 -4.350 1.00 0.00 N ATOM 511 CA ILE A 32 1.373 10.343 -4.827 1.00 0.00 C ATOM 512 C ILE A 32 0.116 10.287 -5.741 1.00 0.00 C ATOM 513 O ILE A 32 0.093 9.600 -6.768 1.00 0.00 O ATOM 514 CB ILE A 32 2.560 11.102 -5.554 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.282 10.311 -6.659 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.554 11.606 -4.492 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.348 11.076 -7.439 1.00 0.00 C ATOM 0 H ILE A 32 2.203 8.425 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 32 1.122 10.918 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 32 2.103 11.933 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.748 9.436 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.536 9.946 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.375 12.130 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.044 12.287 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.948 10.759 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.789 10.421 -8.190 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.893 11.936 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.124 11.418 -6.755 1.00 0.00 H new ATOM 529 N LYS A 33 -0.896 11.096 -5.400 1.00 0.00 N ATOM 530 CA LYS A 33 -2.079 11.324 -6.286 1.00 0.00 C ATOM 531 C LYS A 33 -1.823 12.128 -7.604 1.00 0.00 C ATOM 532 O LYS A 33 -2.572 11.970 -8.568 1.00 0.00 O ATOM 533 CB LYS A 33 -3.177 11.976 -5.410 1.00 0.00 C ATOM 534 CG LYS A 33 -4.612 11.896 -5.958 1.00 0.00 C ATOM 535 CD LYS A 33 -5.215 10.487 -5.850 1.00 0.00 C ATOM 536 CE LYS A 33 -6.114 10.208 -4.631 1.00 0.00 C ATOM 537 NZ LYS A 33 -5.523 10.494 -3.286 1.00 0.00 N ATOM 0 H LYS A 33 -0.933 11.610 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.384 10.354 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.158 11.505 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.923 13.026 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.243 12.599 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.615 12.208 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.797 10.296 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.397 9.767 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.024 10.798 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.409 9.159 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.281 10.533 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.851 9.741 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.026 11.407 -3.312 1.00 0.00 H new ATOM 551 N TYR A 34 -0.758 12.944 -7.635 1.00 0.00 N ATOM 552 CA TYR A 34 -0.227 13.552 -8.885 1.00 0.00 C ATOM 553 C TYR A 34 0.180 12.547 -10.020 1.00 0.00 C ATOM 554 O TYR A 34 -0.111 12.824 -11.183 1.00 0.00 O ATOM 555 CB TYR A 34 0.947 14.462 -8.433 1.00 0.00 C ATOM 556 CG TYR A 34 1.472 15.430 -9.498 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.793 16.637 -9.713 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.635 15.166 -10.239 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.276 17.567 -10.633 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.116 16.098 -11.163 1.00 0.00 C ATOM 561 CZ TYR A 34 2.441 17.304 -11.350 1.00 0.00 C ATOM 562 OH TYR A 34 2.954 18.255 -12.181 1.00 0.00 O ATOM 0 H TYR A 34 -0.235 13.207 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.022 14.111 -9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.624 15.040 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.770 13.828 -8.104 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.111 16.849 -9.162 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.162 14.235 -10.094 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.745 18.494 -10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.009 15.884 -11.731 1.00 0.00 H new ATOM 0 HH TYR A 34 3.769 17.914 -12.605 1.00 0.00 H new ATOM 572 N TRP A 35 0.830 11.422 -9.677 1.00 0.00 N ATOM 573 CA TRP A 35 1.193 10.358 -10.657 1.00 0.00 C ATOM 574 C TRP A 35 0.119 9.232 -10.790 1.00 0.00 C ATOM 575 O TRP A 35 -0.227 8.890 -11.922 1.00 0.00 O ATOM 576 CB TRP A 35 2.566 9.808 -10.221 1.00 0.00 C ATOM 577 CG TRP A 35 3.391 9.040 -11.285 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.193 7.700 -11.705 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.574 9.442 -11.915 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.201 7.266 -12.582 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.048 8.350 -12.693 1.00 0.00 C ATOM 582 CE3 TRP A 35 5.332 10.659 -11.854 1.00 0.00 C ATOM 583 CZ2 TRP A 35 6.270 8.466 -13.412 1.00 0.00 C ATOM 584 CZ3 TRP A 35 6.520 10.744 -12.572 1.00 0.00 C ATOM 585 CH2 TRP A 35 6.984 9.662 -13.343 1.00 0.00 C ATOM 0 H TRP A 35 1.122 11.216 -8.722 1.00 0.00 H new ATOM 0 HA TRP A 35 1.241 10.785 -11.659 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.168 10.645 -9.866 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.410 9.144 -9.371 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.364 7.085 -11.388 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.287 6.356 -13.034 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.986 11.493 -11.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.639 7.640 -14.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.097 11.656 -12.537 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.910 9.760 -13.891 1.00 0.00 H new ATOM 596 N LEU A 36 -0.369 8.635 -9.681 1.00 0.00 N ATOM 597 CA LEU A 36 -1.359 7.532 -9.738 1.00 0.00 C ATOM 598 C LEU A 36 -2.764 8.038 -9.261 1.00 0.00 C ATOM 599 O LEU A 36 -2.848 8.536 -8.133 1.00 0.00 O ATOM 600 CB LEU A 36 -0.911 6.338 -8.849 1.00 0.00 C ATOM 601 CG LEU A 36 0.433 5.665 -9.208 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.758 4.585 -8.161 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.449 5.034 -10.603 1.00 0.00 C ATOM 0 H LEU A 36 -0.095 8.897 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.426 7.195 -10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.851 6.686 -7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.691 5.578 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 36 1.186 6.453 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.706 4.109 -8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.833 5.044 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.034 3.836 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.423 4.581 -10.786 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.325 4.269 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.260 5.803 -11.352 1.00 0.00 H new ATOM 615 N PRO A 37 -3.889 7.908 -10.017 1.00 0.00 N ATOM 616 CA PRO A 37 -5.225 8.438 -9.566 1.00 0.00 C ATOM 617 C PRO A 37 -5.918 7.766 -8.344 1.00 0.00 C ATOM 618 O PRO A 37 -6.822 8.365 -7.760 1.00 0.00 O ATOM 619 CB PRO A 37 -6.067 8.353 -10.867 1.00 0.00 C ATOM 620 CG PRO A 37 -5.443 7.181 -11.658 1.00 0.00 C ATOM 621 CD PRO A 37 -3.936 7.308 -11.367 1.00 0.00 C ATOM 0 HA PRO A 37 -5.105 9.436 -9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.119 8.168 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.018 9.284 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.836 6.220 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.653 7.260 -12.725 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.440 6.338 -11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.438 7.939 -12.103 1.00 0.00 H new ATOM 629 N HIS A 38 -5.493 6.564 -7.937 1.00 0.00 N ATOM 630 CA HIS A 38 -5.858 5.965 -6.635 1.00 0.00 C ATOM 631 C HIS A 38 -4.563 5.781 -5.787 1.00 0.00 C ATOM 632 O HIS A 38 -3.788 4.845 -6.014 1.00 0.00 O ATOM 633 CB HIS A 38 -6.563 4.632 -6.980 1.00 0.00 C ATOM 634 CG HIS A 38 -7.168 3.875 -5.790 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.424 2.995 -5.024 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.513 3.872 -5.338 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.373 2.519 -4.162 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.652 3.000 -4.267 1.00 0.00 N ATOM 0 H HIS A 38 -4.883 5.972 -8.500 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.526 6.582 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.356 4.837 -7.699 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.844 3.979 -7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.311 4.461 -5.765 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.120 1.781 -3.415 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.478 2.778 -3.711 1.00 0.00 H new ATOM 647 N SER A 39 -4.363 6.643 -4.777 1.00 0.00 N ATOM 648 CA SER A 39 -3.288 6.450 -3.772 1.00 0.00 C ATOM 649 C SER A 39 -3.693 5.382 -2.709 1.00 0.00 C ATOM 650 O SER A 39 -4.398 5.698 -1.744 1.00 0.00 O ATOM 651 CB SER A 39 -2.926 7.815 -3.130 1.00 0.00 C ATOM 652 OG SER A 39 -3.945 8.316 -2.259 1.00 0.00 O ATOM 0 H SER A 39 -4.926 7.480 -4.629 1.00 0.00 H new ATOM 0 HA SER A 39 -2.398 6.064 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.997 7.711 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.742 8.543 -3.920 1.00 0.00 H new ATOM 0 HG SER A 39 -4.360 7.570 -1.778 1.00 0.00 H new ATOM 658 N GLY A 40 -3.237 4.143 -2.922 1.00 0.00 N ATOM 659 CA GLY A 40 -3.506 3.009 -2.013 1.00 0.00 C ATOM 660 C GLY A 40 -3.525 1.680 -2.774 1.00 0.00 C ATOM 661 O GLY A 40 -4.603 1.217 -3.152 1.00 0.00 O ATOM 0 H GLY A 40 -2.669 3.891 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.743 2.975 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.463 3.159 -1.514 1.00 0.00 H new ATOM 665 N ALA A 41 -2.345 1.094 -3.020 1.00 0.00 N ATOM 666 CA ALA A 41 -2.212 -0.101 -3.887 1.00 0.00 C ATOM 667 C ALA A 41 -1.824 -1.369 -3.078 1.00 0.00 C ATOM 668 O ALA A 41 -0.744 -1.428 -2.476 1.00 0.00 O ATOM 669 CB ALA A 41 -1.169 0.236 -4.964 1.00 0.00 C ATOM 0 H ALA A 41 -1.461 1.425 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.170 -0.340 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.040 -0.620 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.508 1.095 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.218 0.473 -4.488 1.00 0.00 H new ATOM 675 N THR A 42 -2.711 -2.376 -3.098 1.00 0.00 N ATOM 676 CA THR A 42 -2.466 -3.702 -2.468 1.00 0.00 C ATOM 677 C THR A 42 -1.714 -4.678 -3.415 1.00 0.00 C ATOM 678 O THR A 42 -2.263 -5.128 -4.424 1.00 0.00 O ATOM 679 CB THR A 42 -3.793 -4.296 -1.901 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.526 -5.514 -1.206 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.919 -4.611 -2.881 1.00 0.00 C ATOM 0 H THR A 42 -3.623 -2.303 -3.550 1.00 0.00 H new ATOM 0 HA THR A 42 -1.795 -3.553 -1.622 1.00 0.00 H new ATOM 0 HB THR A 42 -4.153 -3.479 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.364 -5.879 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.772 -5.016 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.218 -3.699 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.573 -5.344 -3.610 1.00 0.00 H new ATOM 689 N TRP A 43 -0.471 -5.032 -3.064 1.00 0.00 N ATOM 690 CA TRP A 43 0.282 -6.104 -3.771 1.00 0.00 C ATOM 691 C TRP A 43 0.541 -7.267 -2.769 1.00 0.00 C ATOM 692 O TRP A 43 1.380 -7.130 -1.875 1.00 0.00 O ATOM 693 CB TRP A 43 1.578 -5.486 -4.343 1.00 0.00 C ATOM 694 CG TRP A 43 2.285 -6.341 -5.449 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.391 -7.762 -5.545 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.976 -5.870 -6.573 1.00 0.00 C ATOM 697 NE1 TRP A 43 3.082 -8.169 -6.694 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.460 -6.993 -7.299 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.266 -4.544 -7.038 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.261 -6.804 -8.456 1.00 0.00 C ATOM 701 CZ3 TRP A 43 4.059 -4.388 -8.173 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.562 -5.507 -8.865 1.00 0.00 C ATOM 0 H TRP A 43 0.043 -4.599 -2.297 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.277 -6.521 -4.609 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.343 -4.505 -4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.279 -5.327 -3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.984 -8.446 -4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.264 -9.122 -7.010 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.876 -3.682 -6.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.631 -7.653 -9.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.291 -3.395 -8.527 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.193 -5.357 -9.729 1.00 0.00 H new ATOM 713 N SER A 44 -0.169 -8.395 -2.943 1.00 0.00 N ATOM 714 CA SER A 44 0.048 -9.628 -2.138 1.00 0.00 C ATOM 715 C SER A 44 0.834 -10.691 -2.956 1.00 0.00 C ATOM 716 O SER A 44 0.272 -11.348 -3.837 1.00 0.00 O ATOM 717 CB SER A 44 -1.332 -10.139 -1.659 1.00 0.00 C ATOM 718 OG SER A 44 -1.186 -11.194 -0.708 1.00 0.00 O ATOM 0 H SER A 44 -0.908 -8.486 -3.640 1.00 0.00 H new ATOM 0 HA SER A 44 0.662 -9.414 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.893 -9.318 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.909 -10.492 -2.513 1.00 0.00 H new ATOM 0 HG SER A 44 -2.071 -11.499 -0.419 1.00 0.00 H new ATOM 724 N GLY A 45 2.141 -10.836 -2.681 1.00 0.00 N ATOM 725 CA GLY A 45 3.001 -11.788 -3.426 1.00 0.00 C ATOM 726 C GLY A 45 4.470 -11.354 -3.451 1.00 0.00 C ATOM 727 O GLY A 45 5.267 -11.797 -2.621 1.00 0.00 O ATOM 0 H GLY A 45 2.629 -10.312 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.925 -12.775 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.635 -11.880 -4.449 1.00 0.00 H new ATOM 731 N ARG A 46 4.805 -10.473 -4.405 1.00 0.00 N ATOM 732 CA ARG A 46 6.104 -9.745 -4.406 1.00 0.00 C ATOM 733 C ARG A 46 6.062 -8.555 -3.411 1.00 0.00 C ATOM 734 O ARG A 46 5.085 -7.799 -3.346 1.00 0.00 O ATOM 735 CB ARG A 46 6.408 -9.347 -5.872 1.00 0.00 C ATOM 736 CG ARG A 46 7.663 -8.493 -6.147 1.00 0.00 C ATOM 737 CD ARG A 46 7.391 -6.978 -6.148 1.00 0.00 C ATOM 738 NE ARG A 46 8.668 -6.246 -6.337 1.00 0.00 N ATOM 739 CZ ARG A 46 8.782 -4.985 -6.746 1.00 0.00 C ATOM 740 NH1 ARG A 46 7.763 -4.235 -7.088 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.972 -4.465 -6.820 1.00 0.00 N ATOM 0 H ARG A 46 4.200 -10.240 -5.192 1.00 0.00 H new ATOM 0 HA ARG A 46 6.924 -10.369 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.494 -10.264 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.544 -8.804 -6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.417 -8.718 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.082 -8.779 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.692 -6.724 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.925 -6.681 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 46 9.531 -6.752 -6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.816 -4.612 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.917 -3.274 -7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.788 -5.022 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.089 -3.500 -7.130 1.00 0.00 H new ATOM 755 N GLY A 47 7.167 -8.371 -2.673 1.00 0.00 N ATOM 756 CA GLY A 47 7.298 -7.262 -1.706 1.00 0.00 C ATOM 757 C GLY A 47 7.546 -5.884 -2.334 1.00 0.00 C ATOM 758 O GLY A 47 8.686 -5.439 -2.468 1.00 0.00 O ATOM 0 H GLY A 47 7.987 -8.976 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.390 -7.213 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.119 -7.488 -1.025 1.00 0.00 H new ATOM 762 N LYS A 48 6.449 -5.212 -2.680 1.00 0.00 N ATOM 763 CA LYS A 48 6.457 -3.802 -3.132 1.00 0.00 C ATOM 764 C LYS A 48 6.386 -2.874 -1.896 1.00 0.00 C ATOM 765 O LYS A 48 5.339 -2.792 -1.253 1.00 0.00 O ATOM 766 CB LYS A 48 5.271 -3.696 -4.125 1.00 0.00 C ATOM 767 CG LYS A 48 4.875 -2.311 -4.646 1.00 0.00 C ATOM 768 CD LYS A 48 4.015 -1.416 -3.742 1.00 0.00 C ATOM 769 CE LYS A 48 2.731 -2.026 -3.167 1.00 0.00 C ATOM 770 NZ LYS A 48 2.089 -1.096 -2.197 1.00 0.00 N ATOM 0 H LYS A 48 5.517 -5.625 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 48 7.364 -3.486 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.504 -4.320 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.396 -4.132 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.791 -1.768 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.339 -2.449 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.634 -1.084 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.741 -0.527 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.036 -2.250 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.961 -2.970 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.063 -1.265 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.482 -1.259 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.273 -0.114 -2.484 1.00 0.00 H new ATOM 784 N ILE A 49 7.480 -2.167 -1.591 1.00 0.00 N ATOM 785 CA ILE A 49 7.476 -1.069 -0.592 1.00 0.00 C ATOM 786 C ILE A 49 7.860 0.230 -1.401 1.00 0.00 C ATOM 787 O ILE A 49 9.002 0.287 -1.877 1.00 0.00 O ATOM 788 CB ILE A 49 8.481 -1.276 0.603 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.392 -2.634 1.351 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.201 -0.173 1.672 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.179 -3.775 0.711 1.00 0.00 C ATOM 0 H ILE A 49 8.391 -2.330 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 49 6.496 -1.016 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 49 9.468 -1.235 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.749 -2.494 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.344 -2.927 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.886 -0.297 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.347 0.811 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.174 -0.262 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.055 -4.681 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.809 -3.950 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.235 -3.510 0.670 1.00 0.00 H new ATOM 803 N PRO A 50 7.027 1.291 -1.561 1.00 0.00 N ATOM 804 CA PRO A 50 7.423 2.508 -2.356 1.00 0.00 C ATOM 805 C PRO A 50 8.269 3.586 -1.624 1.00 0.00 C ATOM 806 O PRO A 50 8.155 4.779 -1.905 1.00 0.00 O ATOM 807 CB PRO A 50 6.023 3.001 -2.809 1.00 0.00 C ATOM 808 CG PRO A 50 5.117 2.710 -1.588 1.00 0.00 C ATOM 809 CD PRO A 50 5.650 1.372 -1.042 1.00 0.00 C ATOM 0 HA PRO A 50 8.126 2.277 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.033 4.063 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.680 2.471 -3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.186 3.502 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.069 2.634 -1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.634 1.352 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.045 0.533 -1.385 1.00 0.00 H new ATOM 817 N LYS A 51 9.195 3.134 -0.775 1.00 0.00 N ATOM 818 CA LYS A 51 10.183 3.994 -0.090 1.00 0.00 C ATOM 819 C LYS A 51 11.254 4.620 -1.037 1.00 0.00 C ATOM 820 O LYS A 51 11.341 5.847 -0.973 1.00 0.00 O ATOM 821 CB LYS A 51 10.772 3.243 1.128 1.00 0.00 C ATOM 822 CG LYS A 51 9.812 3.131 2.344 1.00 0.00 C ATOM 823 CD LYS A 51 9.645 4.432 3.145 1.00 0.00 C ATOM 824 CE LYS A 51 8.670 4.319 4.343 1.00 0.00 C ATOM 825 NZ LYS A 51 7.232 4.419 3.937 1.00 0.00 N ATOM 0 H LYS A 51 9.287 2.147 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 51 9.657 4.873 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.060 2.239 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.682 3.751 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.833 2.809 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.181 2.353 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.621 4.746 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.290 5.215 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.834 3.368 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.894 5.106 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.792 5.232 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.170 4.547 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.733 3.547 4.208 1.00 0.00 H new ATOM 839 N PRO A 52 12.016 3.948 -1.953 1.00 0.00 N ATOM 840 CA PRO A 52 12.837 4.673 -2.988 1.00 0.00 C ATOM 841 C PRO A 52 12.084 5.565 -4.017 1.00 0.00 C ATOM 842 O PRO A 52 12.655 6.565 -4.460 1.00 0.00 O ATOM 843 CB PRO A 52 13.647 3.527 -3.645 1.00 0.00 C ATOM 844 CG PRO A 52 12.766 2.274 -3.464 1.00 0.00 C ATOM 845 CD PRO A 52 12.095 2.478 -2.092 1.00 0.00 C ATOM 0 HA PRO A 52 13.441 5.446 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.836 3.729 -4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.618 3.402 -3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.026 2.189 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.362 1.362 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.107 2.019 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.682 2.031 -1.289 1.00 0.00 H new ATOM 853 N PHE A 53 10.815 5.252 -4.353 1.00 0.00 N ATOM 854 CA PHE A 53 9.945 6.183 -5.122 1.00 0.00 C ATOM 855 C PHE A 53 9.538 7.436 -4.302 1.00 0.00 C ATOM 856 O PHE A 53 9.941 8.533 -4.683 1.00 0.00 O ATOM 857 CB PHE A 53 8.763 5.367 -5.694 1.00 0.00 C ATOM 858 CG PHE A 53 7.743 6.184 -6.511 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.054 6.671 -7.791 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.483 6.478 -5.965 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.109 7.387 -8.529 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.547 7.208 -6.698 1.00 0.00 C ATOM 863 CZ PHE A 53 5.853 7.646 -7.984 1.00 0.00 C ATOM 0 H PHE A 53 10.367 4.369 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 53 10.494 6.612 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.161 4.574 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.241 4.884 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.033 6.490 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.237 6.136 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.351 7.739 -9.521 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.583 7.434 -6.267 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.116 8.187 -8.559 1.00 0.00 H new ATOM 873 N GLU A 54 8.785 7.287 -3.201 1.00 0.00 N ATOM 874 CA GLU A 54 8.335 8.435 -2.361 1.00 0.00 C ATOM 875 C GLU A 54 9.455 9.313 -1.693 1.00 0.00 C ATOM 876 O GLU A 54 9.224 10.509 -1.475 1.00 0.00 O ATOM 877 CB GLU A 54 7.328 7.859 -1.334 1.00 0.00 C ATOM 878 CG GLU A 54 6.484 8.926 -0.619 1.00 0.00 C ATOM 879 CD GLU A 54 5.449 8.389 0.353 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.829 7.670 1.308 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.257 8.729 0.198 1.00 0.00 O ATOM 0 H GLU A 54 8.467 6.380 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 54 7.876 9.170 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.661 7.165 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.875 7.283 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.154 9.594 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.974 9.527 -1.372 1.00 0.00 H new ATOM 888 N ALA A 55 10.635 8.727 -1.423 1.00 0.00 N ATOM 889 CA ALA A 55 11.855 9.465 -1.044 1.00 0.00 C ATOM 890 C ALA A 55 12.519 10.289 -2.181 1.00 0.00 C ATOM 891 O ALA A 55 12.830 11.453 -1.935 1.00 0.00 O ATOM 892 CB ALA A 55 12.863 8.454 -0.481 1.00 0.00 C ATOM 0 H ALA A 55 10.771 7.717 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 55 11.550 10.209 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.777 8.974 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.435 7.961 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.095 7.709 -1.242 1.00 0.00 H new ATOM 898 N TRP A 56 12.724 9.748 -3.400 1.00 0.00 N ATOM 899 CA TRP A 56 13.168 10.580 -4.559 1.00 0.00 C ATOM 900 C TRP A 56 12.086 11.554 -5.137 1.00 0.00 C ATOM 901 O TRP A 56 12.425 12.687 -5.485 1.00 0.00 O ATOM 902 CB TRP A 56 13.818 9.675 -5.628 1.00 0.00 C ATOM 903 CG TRP A 56 14.916 10.459 -6.424 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.786 11.053 -7.707 1.00 0.00 C ATOM 905 CD2 TRP A 56 16.184 10.851 -5.976 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.925 11.799 -8.060 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.770 11.673 -6.975 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.875 10.624 -4.738 1.00 0.00 C ATOM 909 CZ2 TRP A 56 18.037 12.281 -6.742 1.00 0.00 C ATOM 910 CZ3 TRP A 56 18.113 11.224 -4.542 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.687 12.046 -5.531 1.00 0.00 C ATOM 0 H TRP A 56 12.595 8.759 -3.615 1.00 0.00 H new ATOM 0 HA TRP A 56 13.920 11.272 -4.180 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.262 8.801 -5.151 1.00 0.00 H new ATOM 0 HB3 TRP A 56 13.055 9.310 -6.315 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.916 10.945 -8.337 1.00 0.00 H new ATOM 0 HE1 TRP A 56 16.090 12.317 -8.923 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.440 9.998 -3.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.487 12.914 -7.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.644 11.057 -3.616 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.648 12.503 -5.348 1.00 0.00 H new ATOM 922 N ILE A 57 10.798 11.180 -5.099 1.00 0.00 N ATOM 923 CA ILE A 57 9.659 12.159 -5.110 1.00 0.00 C ATOM 924 C ILE A 57 9.580 13.132 -3.847 1.00 0.00 C ATOM 925 O ILE A 57 8.687 13.981 -3.783 1.00 0.00 O ATOM 926 CB ILE A 57 8.375 11.314 -5.400 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.335 10.643 -6.812 1.00 0.00 C ATOM 928 CG2 ILE A 57 7.014 11.948 -5.126 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.291 11.560 -8.027 1.00 0.00 C ATOM 0 H ILE A 57 10.501 10.205 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 57 9.802 12.903 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 57 8.514 10.558 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.213 10.004 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.461 9.992 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.225 11.239 -5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.942 12.213 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.902 12.845 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.266 10.959 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.398 12.184 -7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.177 12.195 -8.036 1.00 0.00 H new ATOM 941 N GLY A 58 10.503 13.072 -2.876 1.00 0.00 N ATOM 942 CA GLY A 58 10.658 14.100 -1.824 1.00 0.00 C ATOM 943 C GLY A 58 12.034 14.752 -1.594 1.00 0.00 C ATOM 944 O GLY A 58 12.059 15.749 -0.873 1.00 0.00 O ATOM 0 H GLY A 58 11.170 12.305 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.951 14.900 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.348 13.650 -0.881 1.00 0.00 H new ATOM 948 N THR A 59 13.135 14.271 -2.200 1.00 0.00 N ATOM 949 CA THR A 59 14.483 14.910 -2.071 1.00 0.00 C ATOM 950 C THR A 59 14.524 16.427 -2.493 1.00 0.00 C ATOM 951 O THR A 59 15.065 17.258 -1.762 1.00 0.00 O ATOM 952 CB THR A 59 15.542 14.086 -2.882 1.00 0.00 C ATOM 953 OG1 THR A 59 15.488 12.697 -2.577 1.00 0.00 O ATOM 954 CG2 THR A 59 16.986 14.502 -2.599 1.00 0.00 C ATOM 0 H THR A 59 13.130 13.438 -2.789 1.00 0.00 H new ATOM 0 HA THR A 59 14.725 14.897 -1.008 1.00 0.00 H new ATOM 0 HB THR A 59 15.280 14.288 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.929 12.188 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.664 13.890 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.120 15.552 -2.860 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.204 14.361 -1.540 1.00 0.00 H new ATOM 962 N ALA A 60 13.931 16.733 -3.655 1.00 0.00 N ATOM 963 CA ALA A 60 13.656 18.123 -4.095 1.00 0.00 C ATOM 964 C ALA A 60 12.154 18.412 -4.425 1.00 0.00 C ATOM 965 O ALA A 60 11.679 19.510 -4.128 1.00 0.00 O ATOM 966 CB ALA A 60 14.564 18.421 -5.297 1.00 0.00 C ATOM 0 H ALA A 60 13.624 16.027 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 60 13.875 18.790 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.385 19.438 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.607 18.317 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.345 17.719 -6.101 1.00 0.00 H new ATOM 972 N ALA A 61 11.410 17.453 -5.009 1.00 0.00 N ATOM 973 CA ALA A 61 9.992 17.641 -5.401 1.00 0.00 C ATOM 974 C ALA A 61 8.942 18.003 -4.313 1.00 0.00 C ATOM 975 O ALA A 61 7.948 18.651 -4.646 1.00 0.00 O ATOM 976 CB ALA A 61 9.566 16.366 -6.142 1.00 0.00 C ATOM 0 H ALA A 61 11.772 16.524 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 61 9.988 18.549 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.525 16.456 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.196 16.228 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.674 15.507 -5.480 1.00 0.00 H new ATOM 982 N TYR A 62 9.190 17.629 -3.050 1.00 0.00 N ATOM 983 CA TYR A 62 8.370 18.038 -1.878 1.00 0.00 C ATOM 984 C TYR A 62 7.947 19.535 -1.792 1.00 0.00 C ATOM 985 O TYR A 62 6.775 19.792 -1.519 1.00 0.00 O ATOM 986 CB TYR A 62 9.120 17.580 -0.603 1.00 0.00 C ATOM 987 CG TYR A 62 8.324 17.631 0.711 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.180 16.834 0.897 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.746 18.456 1.762 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.474 16.880 2.099 1.00 0.00 C ATOM 991 CE2 TYR A 62 8.041 18.495 2.968 1.00 0.00 C ATOM 992 CZ TYR A 62 6.902 17.710 3.132 1.00 0.00 C ATOM 993 OH TYR A 62 6.186 17.772 4.289 1.00 0.00 O ATOM 0 H TYR A 62 9.974 17.026 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 62 7.405 17.545 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.462 16.556 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.010 18.199 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.846 16.182 0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.627 19.069 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.592 16.270 2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.379 19.133 3.772 1.00 0.00 H new ATOM 0 HH TYR A 62 6.619 18.396 4.908 1.00 0.00 H new ATOM 1003 N THR A 63 8.848 20.494 -2.068 1.00 0.00 N ATOM 1004 CA THR A 63 8.472 21.941 -2.133 1.00 0.00 C ATOM 1005 C THR A 63 7.397 22.327 -3.198 1.00 0.00 C ATOM 1006 O THR A 63 6.459 23.062 -2.878 1.00 0.00 O ATOM 1007 CB THR A 63 9.750 22.815 -2.153 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.403 24.161 -1.844 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.559 22.867 -3.441 1.00 0.00 C ATOM 0 H THR A 63 9.835 20.309 -2.250 1.00 0.00 H new ATOM 0 HA THR A 63 7.925 22.160 -1.216 1.00 0.00 H new ATOM 0 HB THR A 63 10.389 22.322 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.210 24.717 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.423 23.517 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.898 21.864 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.936 23.257 -4.246 1.00 0.00 H new ATOM 1017 N ALA A 64 7.494 21.775 -4.423 1.00 0.00 N ATOM 1018 CA ALA A 64 6.407 21.898 -5.432 1.00 0.00 C ATOM 1019 C ALA A 64 5.141 21.025 -5.164 1.00 0.00 C ATOM 1020 O ALA A 64 4.020 21.480 -5.403 1.00 0.00 O ATOM 1021 CB ALA A 64 7.031 21.575 -6.797 1.00 0.00 C ATOM 0 H ALA A 64 8.303 21.243 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 64 6.018 22.915 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.269 21.652 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.835 22.281 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.433 20.562 -6.783 1.00 0.00 H new ATOM 1027 N TRP A 65 5.322 19.800 -4.651 1.00 0.00 N ATOM 1028 CA TRP A 65 4.222 18.936 -4.170 1.00 0.00 C ATOM 1029 C TRP A 65 3.336 19.528 -3.026 1.00 0.00 C ATOM 1030 O TRP A 65 2.111 19.455 -3.122 1.00 0.00 O ATOM 1031 CB TRP A 65 4.855 17.572 -3.776 1.00 0.00 C ATOM 1032 CG TRP A 65 3.971 16.383 -4.230 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.161 15.632 -5.411 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.791 15.890 -3.666 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.128 14.711 -5.615 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.282 14.899 -4.544 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.074 16.226 -2.472 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.055 14.252 -4.249 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.882 15.564 -2.202 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.374 14.592 -3.087 1.00 0.00 C ATOM 0 H TRP A 65 6.243 19.372 -4.555 1.00 0.00 H new ATOM 0 HA TRP A 65 3.503 18.831 -4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.843 17.485 -4.227 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.993 17.532 -2.695 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.003 15.754 -6.077 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.024 14.049 -6.384 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.452 16.978 -1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.655 13.505 -4.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.337 15.798 -1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.561 14.103 -2.858 1.00 0.00 H new ATOM 1051 N LYS A 66 3.952 20.128 -1.997 1.00 0.00 N ATOM 1052 CA LYS A 66 3.245 20.895 -0.935 1.00 0.00 C ATOM 1053 C LYS A 66 2.448 22.155 -1.411 1.00 0.00 C ATOM 1054 O LYS A 66 1.366 22.405 -0.877 1.00 0.00 O ATOM 1055 CB LYS A 66 4.288 21.280 0.153 1.00 0.00 C ATOM 1056 CG LYS A 66 4.817 20.110 1.010 1.00 0.00 C ATOM 1057 CD LYS A 66 3.839 19.555 2.052 1.00 0.00 C ATOM 1058 CE LYS A 66 3.614 20.472 3.259 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.518 19.887 4.069 1.00 0.00 N ATOM 0 H LYS A 66 4.963 20.100 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 66 2.467 20.238 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.135 21.762 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.839 22.019 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.109 19.298 0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.719 20.440 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.880 19.368 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.211 18.593 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.525 20.556 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.353 21.478 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.352 20.479 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.650 19.844 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.783 18.927 4.370 1.00 0.00 H new ATOM 1073 N ALA A 67 2.935 22.901 -2.420 1.00 0.00 N ATOM 1074 CA ALA A 67 2.087 23.853 -3.180 1.00 0.00 C ATOM 1075 C ALA A 67 0.887 23.243 -3.971 1.00 0.00 C ATOM 1076 O ALA A 67 -0.186 23.847 -3.964 1.00 0.00 O ATOM 1077 CB ALA A 67 3.019 24.656 -4.104 1.00 0.00 C ATOM 0 H ALA A 67 3.906 22.867 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 67 1.583 24.482 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.432 25.370 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.753 25.193 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.533 23.975 -4.783 1.00 0.00 H new ATOM 1083 N LYS A 68 1.039 22.083 -4.636 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.081 21.436 -5.375 1.00 0.00 C ATOM 1085 C LYS A 68 -1.134 20.683 -4.491 1.00 0.00 C ATOM 1086 O LYS A 68 -2.333 20.830 -4.741 1.00 0.00 O ATOM 1087 CB LYS A 68 0.525 20.481 -6.436 1.00 0.00 C ATOM 1088 CG LYS A 68 1.260 21.210 -7.587 1.00 0.00 C ATOM 1089 CD LYS A 68 2.343 20.312 -8.209 1.00 0.00 C ATOM 1090 CE LYS A 68 3.005 20.976 -9.426 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.924 20.021 -10.104 1.00 0.00 N ATOM 0 H LYS A 68 1.919 21.570 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.654 22.242 -5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.222 19.803 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.272 19.868 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.542 21.503 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.715 22.126 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.102 20.086 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.900 19.363 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.240 21.312 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.558 21.860 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.634 20.550 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.402 19.434 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.379 19.411 -10.746 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.708 19.859 -3.520 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.623 19.179 -2.559 1.00 0.00 C ATOM 1107 C HIS A 69 -1.157 19.463 -1.076 1.00 0.00 C ATOM 1108 O HIS A 69 0.052 19.538 -0.843 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.652 17.664 -2.863 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.900 17.121 -3.579 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.444 15.888 -3.252 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.647 17.689 -4.646 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.508 15.822 -4.106 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.712 16.861 -4.974 1.00 0.00 N ATOM 0 H HIS A 69 0.277 19.639 -3.370 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.634 19.571 -2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.780 17.424 -3.472 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.541 17.127 -1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.420 18.627 -5.131 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.172 14.971 -4.097 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.445 16.991 -5.671 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.053 19.607 -0.061 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.699 20.293 1.234 1.00 0.00 C ATOM 1125 C PRO A 70 -0.716 19.532 2.148 1.00 0.00 C ATOM 1126 O PRO A 70 0.483 19.826 2.138 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.100 20.617 1.829 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.026 19.519 1.244 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.510 19.389 -0.198 1.00 0.00 C ATOM 0 HA PRO A 70 -1.096 21.190 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.086 20.587 2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.434 21.614 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.941 18.581 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.075 19.813 1.276 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.732 18.408 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.967 20.128 -0.857 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.189 18.549 2.915 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.344 17.430 3.386 1.00 0.00 C ATOM 1139 C ASP A 71 -1.074 16.111 3.002 1.00 0.00 C ATOM 1140 O ASP A 71 -1.664 15.441 3.851 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.099 17.627 4.890 1.00 0.00 C ATOM 1142 CG ASP A 71 1.069 16.801 5.412 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.230 17.203 5.161 1.00 0.00 O ATOM 1144 OD2 ASP A 71 0.844 15.767 6.063 1.00 0.00 O ATOM 0 H ASP A 71 -2.158 18.498 3.230 1.00 0.00 H new ATOM 0 HA ASP A 71 0.642 17.389 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.092 18.682 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.002 17.358 5.439 1.00 0.00 H new ATOM 1149 N GLU A 72 -1.045 15.757 1.700 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.537 14.432 1.233 1.00 0.00 C ATOM 1151 C GLU A 72 -0.434 13.318 1.254 1.00 0.00 C ATOM 1152 O GLU A 72 -0.711 12.215 1.717 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.198 14.526 -0.174 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.246 13.417 -0.416 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.350 12.860 -1.820 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.338 12.350 -2.341 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.455 12.875 -2.408 1.00 0.00 O ATOM 0 H GLU A 72 -0.691 16.359 0.956 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.299 14.132 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.674 15.500 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.424 14.462 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.026 12.591 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.224 13.808 -0.134 1.00 0.00 H new ATOM 1164 N LYS A 73 0.766 13.595 0.719 1.00 0.00 N ATOM 1165 CA LYS A 73 1.903 12.642 0.700 1.00 0.00 C ATOM 1166 C LYS A 73 2.666 12.561 2.049 1.00 0.00 C ATOM 1167 O LYS A 73 2.846 13.571 2.734 1.00 0.00 O ATOM 1168 CB LYS A 73 2.793 13.032 -0.511 1.00 0.00 C ATOM 1169 CG LYS A 73 3.921 12.039 -0.819 1.00 0.00 C ATOM 1170 CD LYS A 73 5.316 12.441 -0.338 1.00 0.00 C ATOM 1171 CE LYS A 73 6.153 13.203 -1.363 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.601 12.960 -1.106 1.00 0.00 N ATOM 0 H LYS A 73 0.983 14.491 0.283 1.00 0.00 H new ATOM 0 HA LYS A 73 1.541 11.621 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.161 13.129 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.231 14.012 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.666 11.079 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.960 11.886 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.213 13.056 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.857 11.541 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.893 12.881 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.937 14.270 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.170 13.617 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.805 13.112 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.840 11.981 -1.364 1.00 0.00 H new ATOM 1186 N PHE A 74 3.150 11.357 2.410 1.00 0.00 N ATOM 1187 CA PHE A 74 3.980 11.166 3.633 1.00 0.00 C ATOM 1188 C PHE A 74 5.402 11.817 3.486 1.00 0.00 C ATOM 1189 O PHE A 74 6.046 11.557 2.463 1.00 0.00 O ATOM 1190 CB PHE A 74 4.098 9.641 3.896 1.00 0.00 C ATOM 1191 CG PHE A 74 4.592 9.282 5.305 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.683 9.174 6.368 1.00 0.00 C ATOM 1193 CD2 PHE A 74 5.958 9.071 5.560 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.127 8.873 7.657 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.402 8.776 6.850 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.486 8.677 7.896 1.00 0.00 C ATOM 0 H PHE A 74 2.986 10.501 1.880 1.00 0.00 H new ATOM 0 HA PHE A 74 3.500 11.664 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.123 9.180 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.779 9.209 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.629 9.325 6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.670 9.138 4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.418 8.792 8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.455 8.625 7.038 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.830 8.448 8.894 1.00 0.00 H new ATOM 1206 N PRO A 75 5.945 12.625 4.436 1.00 0.00 N ATOM 1207 CA PRO A 75 7.249 13.348 4.234 1.00 0.00 C ATOM 1208 C PRO A 75 8.513 12.448 4.291 1.00 0.00 C ATOM 1209 O PRO A 75 9.255 12.403 5.274 1.00 0.00 O ATOM 1210 CB PRO A 75 7.171 14.445 5.326 1.00 0.00 C ATOM 1211 CG PRO A 75 6.321 13.813 6.449 1.00 0.00 C ATOM 1212 CD PRO A 75 5.252 13.021 5.682 1.00 0.00 C ATOM 0 HA PRO A 75 7.367 13.753 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.163 14.719 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.709 15.355 4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.919 13.165 7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.875 14.572 7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.913 12.152 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.372 13.630 5.476 1.00 0.00 H new ATOM 1220 N ALA A 76 8.738 11.741 3.176 1.00 0.00 N ATOM 1221 CA ALA A 76 9.828 10.759 3.046 1.00 0.00 C ATOM 1222 C ALA A 76 11.128 11.372 2.447 1.00 0.00 C ATOM 1223 O ALA A 76 11.113 12.041 1.406 1.00 0.00 O ATOM 1224 CB ALA A 76 9.289 9.629 2.151 1.00 0.00 C ATOM 0 H ALA A 76 8.169 11.833 2.335 1.00 0.00 H new ATOM 0 HA ALA A 76 10.115 10.393 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.060 8.869 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.413 9.180 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.012 10.036 1.178 1.00 0.00 H new ATOM 1230 N PHE A 77 12.243 11.098 3.124 1.00 0.00 N ATOM 1231 CA PHE A 77 13.609 11.493 2.686 1.00 0.00 C ATOM 1232 C PHE A 77 14.445 10.264 2.172 1.00 0.00 C ATOM 1233 O PHE A 77 14.141 9.131 2.569 1.00 0.00 O ATOM 1234 CB PHE A 77 14.295 12.226 3.880 1.00 0.00 C ATOM 1235 CG PHE A 77 14.717 11.367 5.090 1.00 0.00 C ATOM 1236 CD1 PHE A 77 13.809 11.073 6.118 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.010 10.818 5.156 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.175 10.238 7.177 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.374 9.980 6.212 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.458 9.692 7.219 1.00 0.00 C ATOM 0 H PHE A 77 12.237 10.588 4.007 1.00 0.00 H new ATOM 0 HA PHE A 77 13.547 12.166 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.182 12.732 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.615 13.000 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 77 12.816 11.497 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.728 11.047 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.466 10.016 7.961 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.366 9.555 6.247 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.741 9.044 8.035 1.00 0.00 H new ATOM 1250 N PRO A 78 15.528 10.413 1.363 1.00 0.00 N ATOM 1251 CA PRO A 78 16.411 9.256 0.996 1.00 0.00 C ATOM 1252 C PRO A 78 17.370 8.832 2.145 1.00 0.00 C ATOM 1253 O PRO A 78 18.307 9.558 2.496 1.00 0.00 O ATOM 1254 CB PRO A 78 17.137 9.806 -0.261 1.00 0.00 C ATOM 1255 CG PRO A 78 17.231 11.330 -0.008 1.00 0.00 C ATOM 1256 CD PRO A 78 15.887 11.665 0.663 1.00 0.00 C ATOM 0 HA PRO A 78 15.871 8.328 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.125 9.360 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.579 9.587 -1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.074 11.579 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.365 11.884 -0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 78 15.982 12.500 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.131 11.945 -0.071 1.00 0.00 H new ATOM 1264 N GLY A 79 17.107 7.653 2.728 1.00 0.00 N ATOM 1265 CA GLY A 79 17.864 7.158 3.894 1.00 0.00 C ATOM 1266 C GLY A 79 17.912 5.635 3.943 1.00 0.00 C ATOM 1267 O GLY A 79 18.957 5.005 4.087 1.00 0.00 O ATOM 0 H GLY A 79 16.373 7.020 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.880 7.551 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.407 7.535 4.809 1.00 0.00 H new