USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.619 USER MOD Single : A 5 SER OG : rot 51:sc= 1.08 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.5!) USER MOD Single : A 12 ASN : amide:sc= -0.0832 X(o=-0.083,f=-0.009) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 1.28 (180deg=0.0365) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.166 F(o=-1.1,f=-0.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 51:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.401) USER MOD Single : A 37 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 54 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4.9!) USER MOD Single : A 55 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.87) USER MOD Single : A 57 LYS NZ :NH3+ -140:sc= -0.195 (180deg=-1.82!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.667 18.379 -4.905 1.00 0.00 N ATOM 2 CA GLY A 1 6.548 17.279 -4.557 1.00 0.00 C ATOM 3 C GLY A 1 6.198 16.001 -5.293 1.00 0.00 C ATOM 4 O GLY A 1 6.080 15.994 -6.518 1.00 0.00 O ATOM 0 H1 GLY A 1 5.948 19.229 -4.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.734 18.568 -5.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.687 18.129 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.577 17.556 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.496 17.102 -3.483 1.00 0.00 H new ATOM 8 N SER A 2 6.032 14.915 -4.544 1.00 0.00 N ATOM 9 CA SER A 2 5.698 13.624 -5.133 1.00 0.00 C ATOM 10 C SER A 2 6.374 13.455 -6.491 1.00 0.00 C ATOM 11 O SER A 2 5.762 12.975 -7.445 1.00 0.00 O ATOM 12 CB SER A 2 4.182 13.484 -5.284 1.00 0.00 C ATOM 13 OG SER A 2 3.679 14.402 -6.240 1.00 0.00 O ATOM 0 H SER A 2 6.123 14.904 -3.528 1.00 0.00 H new ATOM 0 HA SER A 2 6.062 12.843 -4.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.936 12.466 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.700 13.655 -4.322 1.00 0.00 H new ATOM 0 HG SER A 2 2.708 14.292 -6.320 1.00 0.00 H new ATOM 19 N SER A 3 7.639 13.854 -6.568 1.00 0.00 N ATOM 20 CA SER A 3 8.398 13.751 -7.810 1.00 0.00 C ATOM 21 C SER A 3 9.898 13.818 -7.536 1.00 0.00 C ATOM 22 O SER A 3 10.391 14.782 -6.953 1.00 0.00 O ATOM 23 CB SER A 3 7.993 14.868 -8.773 1.00 0.00 C ATOM 24 OG SER A 3 8.535 16.113 -8.367 1.00 0.00 O ATOM 0 H SER A 3 8.160 14.251 -5.786 1.00 0.00 H new ATOM 0 HA SER A 3 8.172 12.788 -8.267 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.338 14.628 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.906 14.938 -8.817 1.00 0.00 H new ATOM 0 HG SER A 3 9.209 15.965 -7.671 1.00 0.00 H new ATOM 30 N GLY A 4 10.617 12.785 -7.964 1.00 0.00 N ATOM 31 CA GLY A 4 12.053 12.745 -7.757 1.00 0.00 C ATOM 32 C GLY A 4 12.617 11.343 -7.876 1.00 0.00 C ATOM 33 O GLY A 4 13.517 11.094 -8.678 1.00 0.00 O ATOM 0 H GLY A 4 10.231 11.976 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.540 13.392 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.286 13.144 -6.770 1.00 0.00 H new ATOM 37 N SER A 5 12.088 10.424 -7.074 1.00 0.00 N ATOM 38 CA SER A 5 12.548 9.040 -7.089 1.00 0.00 C ATOM 39 C SER A 5 11.385 8.084 -7.335 1.00 0.00 C ATOM 40 O SER A 5 10.765 7.589 -6.394 1.00 0.00 O ATOM 41 CB SER A 5 13.237 8.695 -5.767 1.00 0.00 C ATOM 42 OG SER A 5 12.329 8.777 -4.682 1.00 0.00 O ATOM 0 H SER A 5 11.341 10.613 -6.406 1.00 0.00 H new ATOM 0 HA SER A 5 13.264 8.930 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.653 7.689 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.071 9.376 -5.599 1.00 0.00 H new ATOM 0 HG SER A 5 11.525 8.256 -4.888 1.00 0.00 H new ATOM 48 N SER A 6 11.096 7.828 -8.607 1.00 0.00 N ATOM 49 CA SER A 6 10.006 6.934 -8.978 1.00 0.00 C ATOM 50 C SER A 6 10.380 6.097 -10.198 1.00 0.00 C ATOM 51 O SER A 6 11.113 6.552 -11.075 1.00 0.00 O ATOM 52 CB SER A 6 8.736 7.736 -9.266 1.00 0.00 C ATOM 53 OG SER A 6 7.582 6.919 -9.167 1.00 0.00 O ATOM 0 H SER A 6 11.602 8.227 -9.398 1.00 0.00 H new ATOM 0 HA SER A 6 9.821 6.261 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.659 8.566 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.794 8.169 -10.265 1.00 0.00 H new ATOM 0 HG SER A 6 6.784 7.456 -9.354 1.00 0.00 H new ATOM 59 N GLY A 7 9.871 4.870 -10.245 1.00 0.00 N ATOM 60 CA GLY A 7 10.163 3.988 -11.360 1.00 0.00 C ATOM 61 C GLY A 7 8.910 3.531 -12.080 1.00 0.00 C ATOM 62 O GLY A 7 7.912 4.251 -12.126 1.00 0.00 O ATOM 0 H GLY A 7 9.262 4.471 -9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.816 4.502 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.708 3.117 -10.997 1.00 0.00 H new ATOM 66 N THR A 8 8.960 2.329 -12.646 1.00 0.00 N ATOM 67 CA THR A 8 7.822 1.777 -13.370 1.00 0.00 C ATOM 68 C THR A 8 7.220 0.590 -12.626 1.00 0.00 C ATOM 69 O THR A 8 6.001 0.479 -12.499 1.00 0.00 O ATOM 70 CB THR A 8 8.222 1.329 -14.789 1.00 0.00 C ATOM 71 OG1 THR A 8 8.784 2.431 -15.510 1.00 0.00 O ATOM 72 CG2 THR A 8 7.019 0.783 -15.543 1.00 0.00 C ATOM 0 H THR A 8 9.777 1.719 -12.617 1.00 0.00 H new ATOM 0 HA THR A 8 7.079 2.571 -13.443 1.00 0.00 H new ATOM 0 HB THR A 8 8.965 0.537 -14.701 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.037 2.138 -16.410 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.326 0.473 -16.542 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.611 -0.074 -15.006 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.257 1.558 -15.622 1.00 0.00 H new ATOM 80 N ALA A 9 8.082 -0.294 -12.136 1.00 0.00 N ATOM 81 CA ALA A 9 7.635 -1.471 -11.401 1.00 0.00 C ATOM 82 C ALA A 9 7.968 -1.352 -9.918 1.00 0.00 C ATOM 83 O ALA A 9 7.908 -2.334 -9.179 1.00 0.00 O ATOM 84 CB ALA A 9 8.263 -2.728 -11.986 1.00 0.00 C ATOM 0 H ALA A 9 9.094 -0.218 -12.235 1.00 0.00 H new ATOM 0 HA ALA A 9 6.552 -1.540 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.921 -3.599 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.970 -2.829 -13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.349 -2.658 -11.919 1.00 0.00 H new ATOM 90 N GLN A 10 8.319 -0.144 -9.490 1.00 0.00 N ATOM 91 CA GLN A 10 8.662 0.102 -8.095 1.00 0.00 C ATOM 92 C GLN A 10 7.510 -0.286 -7.174 1.00 0.00 C ATOM 93 O GLN A 10 6.347 -0.319 -7.575 1.00 0.00 O ATOM 94 CB GLN A 10 9.022 1.574 -7.888 1.00 0.00 C ATOM 95 CG GLN A 10 10.414 1.936 -8.380 1.00 0.00 C ATOM 96 CD GLN A 10 11.499 1.557 -7.392 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.555 0.422 -6.919 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.370 2.509 -7.075 1.00 0.00 N ATOM 0 H GLN A 10 8.373 0.680 -10.089 1.00 0.00 H new ATOM 0 HA GLN A 10 9.526 -0.515 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.290 2.194 -8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.948 1.812 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.601 1.435 -9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.460 3.008 -8.571 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.286 3.436 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.123 2.312 -6.415 1.00 0.00 H new ATOM 107 N PRO A 11 7.839 -0.589 -5.909 1.00 0.00 N ATOM 108 CA PRO A 11 6.845 -0.981 -4.905 1.00 0.00 C ATOM 109 C PRO A 11 5.945 0.180 -4.497 1.00 0.00 C ATOM 110 O PRO A 11 4.782 -0.017 -4.149 1.00 0.00 O ATOM 111 CB PRO A 11 7.700 -1.438 -3.720 1.00 0.00 C ATOM 112 CG PRO A 11 8.990 -0.710 -3.880 1.00 0.00 C ATOM 113 CD PRO A 11 9.206 -0.572 -5.362 1.00 0.00 C ATOM 0 HA PRO A 11 6.167 -1.748 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.223 -1.194 -2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.850 -2.517 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.949 0.267 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.809 -1.260 -3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.726 0.354 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.808 -1.390 -5.758 1.00 0.00 H new ATOM 121 N ASN A 12 6.491 1.391 -4.542 1.00 0.00 N ATOM 122 CA ASN A 12 5.736 2.584 -4.176 1.00 0.00 C ATOM 123 C ASN A 12 5.132 3.245 -5.411 1.00 0.00 C ATOM 124 O ASN A 12 3.952 3.595 -5.425 1.00 0.00 O ATOM 125 CB ASN A 12 6.638 3.578 -3.442 1.00 0.00 C ATOM 126 CG ASN A 12 7.737 2.890 -2.655 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.920 3.179 -2.837 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.350 1.974 -1.775 1.00 0.00 N ATOM 0 H ASN A 12 7.453 1.572 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 12 4.925 2.282 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.085 4.261 -4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.033 4.182 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.044 1.478 -1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.358 1.767 -1.657 1.00 0.00 H new ATOM 135 N ALA A 13 5.948 3.411 -6.446 1.00 0.00 N ATOM 136 CA ALA A 13 5.494 4.027 -7.687 1.00 0.00 C ATOM 137 C ALA A 13 4.129 3.487 -8.100 1.00 0.00 C ATOM 138 O ALA A 13 3.163 4.241 -8.220 1.00 0.00 O ATOM 139 CB ALA A 13 6.512 3.798 -8.794 1.00 0.00 C ATOM 0 H ALA A 13 6.928 3.127 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 13 5.395 5.099 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.160 4.263 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.467 4.239 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.640 2.728 -8.955 1.00 0.00 H new ATOM 145 N ILE A 14 4.058 2.178 -8.317 1.00 0.00 N ATOM 146 CA ILE A 14 2.810 1.538 -8.717 1.00 0.00 C ATOM 147 C ILE A 14 1.660 1.959 -7.808 1.00 0.00 C ATOM 148 O ILE A 14 0.673 2.537 -8.265 1.00 0.00 O ATOM 149 CB ILE A 14 2.933 0.003 -8.693 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.081 -0.453 -9.596 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.624 -0.639 -9.127 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.617 -1.824 -9.247 1.00 0.00 C ATOM 0 H ILE A 14 4.849 1.540 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 14 2.601 1.862 -9.736 1.00 0.00 H new ATOM 0 HB ILE A 14 3.151 -0.314 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.738 -0.458 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.892 0.272 -9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.726 -1.724 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.827 -0.336 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.379 -0.318 -10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.428 -2.082 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.991 -1.819 -8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.819 -2.561 -9.338 1.00 0.00 H new ATOM 164 N LEU A 15 1.795 1.668 -6.519 1.00 0.00 N ATOM 165 CA LEU A 15 0.768 2.018 -5.544 1.00 0.00 C ATOM 166 C LEU A 15 0.268 3.442 -5.767 1.00 0.00 C ATOM 167 O LEU A 15 -0.924 3.717 -5.641 1.00 0.00 O ATOM 168 CB LEU A 15 1.316 1.874 -4.123 1.00 0.00 C ATOM 169 CG LEU A 15 1.138 0.503 -3.471 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.178 0.292 -2.381 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.267 0.360 -2.905 1.00 0.00 C ATOM 0 H LEU A 15 2.606 1.191 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.070 1.334 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.380 2.111 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.833 2.620 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 15 1.280 -0.262 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.036 -0.689 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.176 0.351 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.068 1.063 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.376 -0.622 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.438 1.133 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.996 0.467 -3.709 1.00 0.00 H new ATOM 183 N GLU A 16 1.188 4.341 -6.102 1.00 0.00 N ATOM 184 CA GLU A 16 0.839 5.736 -6.344 1.00 0.00 C ATOM 185 C GLU A 16 -0.159 5.856 -7.492 1.00 0.00 C ATOM 186 O GLU A 16 -1.042 6.714 -7.475 1.00 0.00 O ATOM 187 CB GLU A 16 2.095 6.552 -6.658 1.00 0.00 C ATOM 188 CG GLU A 16 1.868 8.054 -6.630 1.00 0.00 C ATOM 189 CD GLU A 16 3.143 8.832 -6.372 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.197 8.442 -6.918 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.089 9.830 -5.623 1.00 0.00 O ATOM 0 H GLU A 16 2.180 4.129 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 16 0.375 6.130 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.873 6.297 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.466 6.267 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.440 8.371 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.138 8.293 -5.856 1.00 0.00 H new ATOM 198 N LYS A 17 -0.012 4.990 -8.489 1.00 0.00 N ATOM 199 CA LYS A 17 -0.899 4.996 -9.646 1.00 0.00 C ATOM 200 C LYS A 17 -2.300 4.532 -9.260 1.00 0.00 C ATOM 201 O LYS A 17 -3.284 5.233 -9.493 1.00 0.00 O ATOM 202 CB LYS A 17 -0.338 4.096 -10.749 1.00 0.00 C ATOM 203 CG LYS A 17 -1.102 4.191 -12.059 1.00 0.00 C ATOM 204 CD LYS A 17 -0.407 3.420 -13.167 1.00 0.00 C ATOM 205 CE LYS A 17 -1.305 3.263 -14.385 1.00 0.00 C ATOM 206 NZ LYS A 17 -1.338 4.500 -15.213 1.00 0.00 N ATOM 0 H LYS A 17 0.714 4.274 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.964 6.019 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.705 4.360 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.351 3.062 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.111 3.802 -11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.200 5.237 -12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.509 3.938 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.115 2.436 -12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.952 2.429 -14.992 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.316 3.016 -14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.961 4.352 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.699 5.291 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.377 4.722 -15.543 1.00 0.00 H new ATOM 220 N VAL A 18 -2.382 3.345 -8.666 1.00 0.00 N ATOM 221 CA VAL A 18 -3.662 2.788 -8.245 1.00 0.00 C ATOM 222 C VAL A 18 -4.322 3.666 -7.187 1.00 0.00 C ATOM 223 O VAL A 18 -5.472 3.442 -6.807 1.00 0.00 O ATOM 224 CB VAL A 18 -3.497 1.363 -7.684 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.855 0.711 -7.474 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.631 0.524 -8.610 1.00 0.00 C ATOM 0 H VAL A 18 -1.577 2.751 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.297 2.751 -9.130 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.999 1.427 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.718 -0.295 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.438 1.303 -6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.384 0.657 -8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.525 -0.480 -8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.099 0.466 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.647 0.984 -8.704 1.00 0.00 H new ATOM 236 N PHE A 19 -3.587 4.667 -6.714 1.00 0.00 N ATOM 237 CA PHE A 19 -4.100 5.579 -5.699 1.00 0.00 C ATOM 238 C PHE A 19 -4.927 6.692 -6.336 1.00 0.00 C ATOM 239 O PHE A 19 -6.119 6.833 -6.058 1.00 0.00 O ATOM 240 CB PHE A 19 -2.946 6.182 -4.895 1.00 0.00 C ATOM 241 CG PHE A 19 -3.399 7.056 -3.760 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.094 6.519 -2.689 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.129 8.415 -3.764 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.513 7.321 -1.644 1.00 0.00 C ATOM 245 CE2 PHE A 19 -3.544 9.223 -2.722 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.236 8.674 -1.660 1.00 0.00 C ATOM 0 H PHE A 19 -2.634 4.867 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.744 5.011 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.330 5.375 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.314 6.767 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.311 5.461 -2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.587 8.849 -4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.056 6.890 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.328 10.281 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.560 9.302 -0.843 1.00 0.00 H new ATOM 256 N THR A 20 -4.286 7.482 -7.192 1.00 0.00 N ATOM 257 CA THR A 20 -4.961 8.583 -7.868 1.00 0.00 C ATOM 258 C THR A 20 -5.352 8.199 -9.290 1.00 0.00 C ATOM 259 O THR A 20 -6.437 8.539 -9.759 1.00 0.00 O ATOM 260 CB THR A 20 -4.073 9.841 -7.913 1.00 0.00 C ATOM 261 OG1 THR A 20 -4.824 10.952 -8.418 1.00 0.00 O ATOM 262 CG2 THR A 20 -2.850 9.610 -8.788 1.00 0.00 C ATOM 0 H THR A 20 -3.300 7.380 -7.433 1.00 0.00 H new ATOM 0 HA THR A 20 -5.862 8.802 -7.295 1.00 0.00 H new ATOM 0 HB THR A 20 -3.738 10.059 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.254 11.748 -8.442 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.239 10.512 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.266 8.783 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.168 9.369 -9.802 1.00 0.00 H new ATOM 270 N ALA A 21 -4.460 7.487 -9.972 1.00 0.00 N ATOM 271 CA ALA A 21 -4.714 7.054 -11.340 1.00 0.00 C ATOM 272 C ALA A 21 -5.910 6.110 -11.405 1.00 0.00 C ATOM 273 O ALA A 21 -6.604 6.041 -12.420 1.00 0.00 O ATOM 274 CB ALA A 21 -3.478 6.383 -11.919 1.00 0.00 C ATOM 0 H ALA A 21 -3.556 7.198 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.948 7.936 -11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.682 6.065 -12.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.647 7.088 -11.918 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.218 5.515 -11.314 1.00 0.00 H new ATOM 280 N ILE A 22 -6.145 5.385 -10.316 1.00 0.00 N ATOM 281 CA ILE A 22 -7.257 4.446 -10.250 1.00 0.00 C ATOM 282 C ILE A 22 -8.275 4.873 -9.198 1.00 0.00 C ATOM 283 O ILE A 22 -9.398 5.260 -9.525 1.00 0.00 O ATOM 284 CB ILE A 22 -6.772 3.020 -9.929 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.781 2.544 -10.993 1.00 0.00 C ATOM 286 CG2 ILE A 22 -7.954 2.067 -9.834 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.436 2.164 -12.302 1.00 0.00 C ATOM 0 H ILE A 22 -5.580 5.430 -9.468 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.730 4.448 -11.232 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.263 3.033 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.051 3.332 -11.177 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.232 1.685 -10.608 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.595 1.063 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.627 2.399 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.489 2.055 -10.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.674 1.836 -13.009 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.145 1.354 -12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.962 3.027 -12.710 1.00 0.00 H new ATOM 299 N THR A 23 -7.876 4.801 -7.932 1.00 0.00 N ATOM 300 CA THR A 23 -8.752 5.181 -6.831 1.00 0.00 C ATOM 301 C THR A 23 -7.996 5.200 -5.508 1.00 0.00 C ATOM 302 O THR A 23 -7.090 4.396 -5.287 1.00 0.00 O ATOM 303 CB THR A 23 -9.951 4.221 -6.711 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.845 4.679 -5.691 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.484 2.810 -6.387 1.00 0.00 C ATOM 0 H THR A 23 -6.951 4.483 -7.644 1.00 0.00 H new ATOM 0 HA THR A 23 -9.119 6.184 -7.050 1.00 0.00 H new ATOM 0 HB THR A 23 -10.472 4.204 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.605 4.064 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.348 2.150 -6.307 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.827 2.453 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.942 2.814 -5.441 1.00 0.00 H new ATOM 313 N LYS A 24 -8.375 6.122 -4.629 1.00 0.00 N ATOM 314 CA LYS A 24 -7.734 6.245 -3.325 1.00 0.00 C ATOM 315 C LYS A 24 -8.086 5.059 -2.431 1.00 0.00 C ATOM 316 O LYS A 24 -7.275 4.621 -1.615 1.00 0.00 O ATOM 317 CB LYS A 24 -8.156 7.550 -2.647 1.00 0.00 C ATOM 318 CG LYS A 24 -8.048 8.767 -3.550 1.00 0.00 C ATOM 319 CD LYS A 24 -6.641 9.339 -3.550 1.00 0.00 C ATOM 320 CE LYS A 24 -6.601 10.721 -4.184 1.00 0.00 C ATOM 321 NZ LYS A 24 -5.231 11.080 -4.644 1.00 0.00 N ATOM 0 H LYS A 24 -9.123 6.795 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.655 6.255 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.186 7.454 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.537 7.707 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.330 8.493 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.752 9.530 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.270 9.396 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.975 8.669 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.288 10.753 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.948 11.462 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.019 12.061 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.538 10.441 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.177 10.988 -5.679 1.00 0.00 H new ATOM 335 N HIS A 25 -9.300 4.543 -2.593 1.00 0.00 N ATOM 336 CA HIS A 25 -9.759 3.406 -1.802 1.00 0.00 C ATOM 337 C HIS A 25 -9.923 2.167 -2.676 1.00 0.00 C ATOM 338 O HIS A 25 -11.025 1.821 -3.104 1.00 0.00 O ATOM 339 CB HIS A 25 -11.083 3.738 -1.113 1.00 0.00 C ATOM 340 CG HIS A 25 -11.122 5.113 -0.521 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.208 6.329 -1.110 1.00 0.00 N flip ATOM 342 CD2 HIS A 25 -11.067 5.350 0.837 1.00 0.00 C flip ATOM 343 CE1 HIS A 25 -11.206 7.268 -0.109 1.00 0.00 C flip ATOM 344 NE2 HIS A 25 -11.121 6.652 1.057 1.00 0.00 N flip ATOM 0 H HIS A 25 -9.983 4.893 -3.264 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.006 3.196 -1.042 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.894 3.639 -1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.267 3.007 -0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.992 4.590 1.601 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.264 8.337 -0.251 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.101 7.104 1.971 1.00 0.00 H new ATOM 353 N PRO A 26 -8.803 1.482 -2.950 1.00 0.00 N ATOM 354 CA PRO A 26 -8.798 0.271 -3.776 1.00 0.00 C ATOM 355 C PRO A 26 -9.466 -0.909 -3.080 1.00 0.00 C ATOM 356 O PRO A 26 -9.305 -1.103 -1.874 1.00 0.00 O ATOM 357 CB PRO A 26 -7.307 -0.007 -3.988 1.00 0.00 C ATOM 358 CG PRO A 26 -6.634 0.626 -2.820 1.00 0.00 C ATOM 359 CD PRO A 26 -7.456 1.837 -2.474 1.00 0.00 C ATOM 0 HA PRO A 26 -9.357 0.407 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.106 -1.077 -4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.954 0.419 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.583 -0.064 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.610 0.907 -3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.448 2.035 -1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.079 2.733 -2.967 1.00 0.00 H new ATOM 367 N ASP A 27 -10.215 -1.695 -3.845 1.00 0.00 N ATOM 368 CA ASP A 27 -10.906 -2.858 -3.301 1.00 0.00 C ATOM 369 C ASP A 27 -9.926 -3.995 -3.027 1.00 0.00 C ATOM 370 O ASP A 27 -8.760 -3.927 -3.414 1.00 0.00 O ATOM 371 CB ASP A 27 -11.995 -3.329 -4.267 1.00 0.00 C ATOM 372 CG ASP A 27 -12.999 -4.250 -3.602 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.609 -3.835 -2.595 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.175 -5.387 -4.090 1.00 0.00 O ATOM 0 H ASP A 27 -10.359 -1.548 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.368 -2.566 -2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.515 -2.462 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.532 -3.847 -5.107 1.00 0.00 H new ATOM 379 N GLU A 28 -10.408 -5.036 -2.356 1.00 0.00 N ATOM 380 CA GLU A 28 -9.572 -6.186 -2.029 1.00 0.00 C ATOM 381 C GLU A 28 -8.955 -6.786 -3.289 1.00 0.00 C ATOM 382 O GLU A 28 -7.742 -6.984 -3.366 1.00 0.00 O ATOM 383 CB GLU A 28 -10.393 -7.248 -1.295 1.00 0.00 C ATOM 384 CG GLU A 28 -11.569 -7.773 -2.101 1.00 0.00 C ATOM 385 CD GLU A 28 -12.491 -8.655 -1.281 1.00 0.00 C ATOM 386 OE1 GLU A 28 -12.009 -9.663 -0.724 1.00 0.00 O ATOM 387 OE2 GLU A 28 -13.696 -8.336 -1.196 1.00 0.00 O ATOM 0 H GLU A 28 -11.371 -5.107 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.767 -5.845 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.742 -8.082 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.763 -6.827 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.136 -6.932 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.196 -8.338 -2.955 1.00 0.00 H new ATOM 394 N LYS A 29 -9.798 -7.073 -4.275 1.00 0.00 N ATOM 395 CA LYS A 29 -9.337 -7.650 -5.532 1.00 0.00 C ATOM 396 C LYS A 29 -8.238 -6.793 -6.154 1.00 0.00 C ATOM 397 O LYS A 29 -7.243 -7.313 -6.658 1.00 0.00 O ATOM 398 CB LYS A 29 -10.505 -7.789 -6.511 1.00 0.00 C ATOM 399 CG LYS A 29 -11.626 -8.676 -5.998 1.00 0.00 C ATOM 400 CD LYS A 29 -11.222 -10.141 -5.996 1.00 0.00 C ATOM 401 CE LYS A 29 -11.281 -10.738 -7.393 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.562 -12.039 -7.471 1.00 0.00 N ATOM 0 H LYS A 29 -10.805 -6.915 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.927 -8.638 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.906 -6.799 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.133 -8.195 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.899 -8.372 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.511 -8.543 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.212 -10.240 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.881 -10.700 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.322 -10.880 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.844 -10.038 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.625 -12.413 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.563 -11.899 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.995 -12.715 -6.810 1.00 0.00 H new ATOM 416 N ARG A 30 -8.426 -5.478 -6.113 1.00 0.00 N ATOM 417 CA ARG A 30 -7.450 -4.549 -6.671 1.00 0.00 C ATOM 418 C ARG A 30 -6.071 -4.778 -6.061 1.00 0.00 C ATOM 419 O ARG A 30 -5.102 -5.047 -6.772 1.00 0.00 O ATOM 420 CB ARG A 30 -7.894 -3.105 -6.431 1.00 0.00 C ATOM 421 CG ARG A 30 -7.288 -2.111 -7.409 1.00 0.00 C ATOM 422 CD ARG A 30 -8.211 -0.926 -7.643 1.00 0.00 C ATOM 423 NE ARG A 30 -9.158 -1.176 -8.726 1.00 0.00 N ATOM 424 CZ ARG A 30 -10.302 -0.515 -8.870 1.00 0.00 C ATOM 425 NH1 ARG A 30 -10.637 0.431 -8.004 1.00 0.00 N ATOM 426 NH2 ARG A 30 -11.111 -0.800 -9.882 1.00 0.00 N ATOM 0 H ARG A 30 -9.245 -5.032 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.387 -4.728 -7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.981 -3.052 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.623 -2.814 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.331 -1.758 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.086 -2.609 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.758 -0.706 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.616 -0.044 -7.878 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.929 -1.898 -9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.016 0.653 -7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.515 0.937 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.855 -1.527 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.989 -0.292 -9.992 1.00 0.00 H new ATOM 440 N LEU A 31 -5.989 -4.667 -4.740 1.00 0.00 N ATOM 441 CA LEU A 31 -4.727 -4.861 -4.033 1.00 0.00 C ATOM 442 C LEU A 31 -4.068 -6.173 -4.445 1.00 0.00 C ATOM 443 O LEU A 31 -2.860 -6.227 -4.673 1.00 0.00 O ATOM 444 CB LEU A 31 -4.960 -4.848 -2.521 1.00 0.00 C ATOM 445 CG LEU A 31 -5.739 -3.651 -1.972 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.513 -4.045 -0.724 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.797 -2.493 -1.676 1.00 0.00 C ATOM 0 H LEU A 31 -6.781 -4.444 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.060 -4.041 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.493 -5.759 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.991 -4.884 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.453 -3.327 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.061 -3.181 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.215 -4.842 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.818 -4.395 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.368 -1.650 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.059 -2.804 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.289 -2.194 -2.593 1.00 0.00 H new ATOM 459 N GLU A 32 -4.871 -7.229 -4.542 1.00 0.00 N ATOM 460 CA GLU A 32 -4.364 -8.540 -4.928 1.00 0.00 C ATOM 461 C GLU A 32 -3.301 -8.413 -6.016 1.00 0.00 C ATOM 462 O GLU A 32 -2.150 -8.800 -5.822 1.00 0.00 O ATOM 463 CB GLU A 32 -5.509 -9.429 -5.419 1.00 0.00 C ATOM 464 CG GLU A 32 -5.290 -10.908 -5.147 1.00 0.00 C ATOM 465 CD GLU A 32 -4.571 -11.610 -6.283 1.00 0.00 C ATOM 466 OE1 GLU A 32 -3.421 -11.226 -6.583 1.00 0.00 O ATOM 467 OE2 GLU A 32 -5.157 -12.543 -6.870 1.00 0.00 O ATOM 0 H GLU A 32 -5.874 -7.201 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.908 -8.999 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.435 -9.113 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.639 -9.281 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.712 -11.023 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.253 -11.389 -4.979 1.00 0.00 H new ATOM 474 N GLY A 33 -3.698 -7.869 -7.163 1.00 0.00 N ATOM 475 CA GLY A 33 -2.770 -7.702 -8.265 1.00 0.00 C ATOM 476 C GLY A 33 -1.420 -7.183 -7.812 1.00 0.00 C ATOM 477 O GLY A 33 -0.378 -7.667 -8.258 1.00 0.00 O ATOM 0 H GLY A 33 -4.646 -7.541 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.637 -8.658 -8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.196 -7.011 -8.993 1.00 0.00 H new ATOM 481 N LEU A 34 -1.435 -6.194 -6.925 1.00 0.00 N ATOM 482 CA LEU A 34 -0.202 -5.606 -6.413 1.00 0.00 C ATOM 483 C LEU A 34 0.591 -6.627 -5.602 1.00 0.00 C ATOM 484 O LEU A 34 1.820 -6.662 -5.663 1.00 0.00 O ATOM 485 CB LEU A 34 -0.518 -4.385 -5.548 1.00 0.00 C ATOM 486 CG LEU A 34 -0.671 -3.058 -6.291 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.299 -2.009 -5.386 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.677 -2.578 -6.810 1.00 0.00 C ATOM 0 H LEU A 34 -2.288 -5.782 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 34 0.405 -5.294 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.440 -4.581 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.274 -4.275 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.331 -3.216 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.400 -1.071 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.283 -2.349 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.664 -1.854 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.548 -1.632 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.360 -2.437 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.089 -3.320 -7.494 1.00 0.00 H new ATOM 500 N SER A 35 -0.121 -7.456 -4.845 1.00 0.00 N ATOM 501 CA SER A 35 0.517 -8.476 -4.022 1.00 0.00 C ATOM 502 C SER A 35 1.705 -9.097 -4.749 1.00 0.00 C ATOM 503 O SER A 35 2.686 -9.504 -4.126 1.00 0.00 O ATOM 504 CB SER A 35 -0.492 -9.564 -3.648 1.00 0.00 C ATOM 505 OG SER A 35 0.093 -10.529 -2.791 1.00 0.00 O ATOM 0 H SER A 35 -1.139 -7.441 -4.785 1.00 0.00 H new ATOM 0 HA SER A 35 0.880 -7.998 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.354 -9.112 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.859 -10.050 -4.552 1.00 0.00 H new ATOM 0 HG SER A 35 0.532 -10.077 -2.040 1.00 0.00 H new ATOM 511 N LYS A 36 1.610 -9.167 -6.073 1.00 0.00 N ATOM 512 CA LYS A 36 2.676 -9.737 -6.888 1.00 0.00 C ATOM 513 C LYS A 36 3.810 -8.734 -7.079 1.00 0.00 C ATOM 514 O LYS A 36 4.963 -9.020 -6.757 1.00 0.00 O ATOM 515 CB LYS A 36 2.129 -10.170 -8.250 1.00 0.00 C ATOM 516 CG LYS A 36 3.103 -11.009 -9.059 1.00 0.00 C ATOM 517 CD LYS A 36 2.662 -11.135 -10.507 1.00 0.00 C ATOM 518 CE LYS A 36 1.686 -12.287 -10.694 1.00 0.00 C ATOM 519 NZ LYS A 36 0.274 -11.853 -10.508 1.00 0.00 N ATOM 0 H LYS A 36 0.805 -8.836 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 36 3.070 -10.610 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.211 -10.738 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.863 -9.282 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.094 -10.558 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.186 -12.001 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.194 -10.204 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.534 -11.289 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.808 -12.708 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.919 -13.080 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.227 -12.545 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.255 -10.922 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.194 -11.788 -11.434 1.00 0.00 H new ATOM 533 N GLN A 37 3.473 -7.560 -7.604 1.00 0.00 N ATOM 534 CA GLN A 37 4.464 -6.516 -7.837 1.00 0.00 C ATOM 535 C GLN A 37 5.162 -6.128 -6.537 1.00 0.00 C ATOM 536 O GLN A 37 6.391 -6.138 -6.453 1.00 0.00 O ATOM 537 CB GLN A 37 3.802 -5.286 -8.461 1.00 0.00 C ATOM 538 CG GLN A 37 3.186 -5.553 -9.825 1.00 0.00 C ATOM 539 CD GLN A 37 4.159 -5.316 -10.962 1.00 0.00 C ATOM 540 OE1 GLN A 37 4.913 -6.211 -11.346 1.00 0.00 O ATOM 541 NE2 GLN A 37 4.148 -4.106 -11.509 1.00 0.00 N ATOM 0 H GLN A 37 2.523 -7.308 -7.876 1.00 0.00 H new ATOM 0 HA GLN A 37 5.212 -6.907 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.028 -4.919 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.544 -4.493 -8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.832 -6.583 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.315 -4.911 -9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.507 -3.394 -11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.781 -3.888 -12.279 1.00 0.00 H new ATOM 550 N LEU A 38 4.371 -5.787 -5.526 1.00 0.00 N ATOM 551 CA LEU A 38 4.913 -5.396 -4.229 1.00 0.00 C ATOM 552 C LEU A 38 5.478 -6.603 -3.488 1.00 0.00 C ATOM 553 O LEU A 38 6.424 -6.479 -2.711 1.00 0.00 O ATOM 554 CB LEU A 38 3.829 -4.725 -3.383 1.00 0.00 C ATOM 555 CG LEU A 38 2.926 -3.731 -4.115 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.826 -3.230 -3.192 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.743 -2.566 -4.656 1.00 0.00 C ATOM 0 H LEU A 38 3.352 -5.773 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 38 5.723 -4.687 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.202 -5.503 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.312 -4.205 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 38 2.460 -4.244 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.193 -2.524 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.223 -4.073 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.272 -2.734 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.084 -1.869 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.237 -2.054 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.494 -2.940 -5.352 1.00 0.00 H new ATOM 569 N ASP A 39 4.892 -7.770 -3.735 1.00 0.00 N ATOM 570 CA ASP A 39 5.340 -9.001 -3.094 1.00 0.00 C ATOM 571 C ASP A 39 4.921 -9.032 -1.627 1.00 0.00 C ATOM 572 O ASP A 39 5.561 -9.685 -0.803 1.00 0.00 O ATOM 573 CB ASP A 39 6.859 -9.137 -3.207 1.00 0.00 C ATOM 574 CG ASP A 39 7.377 -8.723 -4.570 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.289 -9.540 -5.511 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.871 -7.584 -4.696 1.00 0.00 O ATOM 0 H ASP A 39 4.106 -7.889 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 39 4.870 -9.841 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.334 -8.525 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.144 -10.171 -3.012 1.00 0.00 H new ATOM 581 N TRP A 40 3.844 -8.322 -1.310 1.00 0.00 N ATOM 582 CA TRP A 40 3.341 -8.268 0.058 1.00 0.00 C ATOM 583 C TRP A 40 1.955 -8.896 0.154 1.00 0.00 C ATOM 584 O TRP A 40 1.309 -9.153 -0.862 1.00 0.00 O ATOM 585 CB TRP A 40 3.294 -6.821 0.549 1.00 0.00 C ATOM 586 CG TRP A 40 4.518 -6.032 0.193 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.763 -6.527 -0.070 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.613 -4.609 0.064 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.627 -5.497 -0.356 1.00 0.00 N ATOM 590 CE2 TRP A 40 5.946 -4.311 -0.281 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.702 -3.559 0.203 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.387 -3.006 -0.486 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.141 -2.265 0.000 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.473 -1.997 -0.343 1.00 0.00 C ATOM 0 H TRP A 40 3.303 -7.776 -1.981 1.00 0.00 H new ATOM 0 HA TRP A 40 4.021 -8.837 0.691 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.418 -6.330 0.126 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.170 -6.816 1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.030 -7.573 -0.055 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.615 -5.599 -0.587 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.673 -3.755 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.414 -2.797 -0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.446 -1.446 0.108 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.785 -0.975 -0.498 1.00 0.00 H new ATOM 605 N ASP A 41 1.505 -9.141 1.379 1.00 0.00 N ATOM 606 CA ASP A 41 0.194 -9.738 1.607 1.00 0.00 C ATOM 607 C ASP A 41 -0.918 -8.732 1.324 1.00 0.00 C ATOM 608 O ASP A 41 -0.763 -7.536 1.568 1.00 0.00 O ATOM 609 CB ASP A 41 0.084 -10.248 3.044 1.00 0.00 C ATOM 610 CG ASP A 41 1.152 -11.271 3.379 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.175 -12.338 2.731 1.00 0.00 O ATOM 612 OD2 ASP A 41 1.965 -11.004 4.288 1.00 0.00 O ATOM 0 H ASP A 41 2.029 -8.936 2.230 1.00 0.00 H new ATOM 0 HA ASP A 41 0.082 -10.579 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.163 -9.406 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.900 -10.692 3.195 1.00 0.00 H new ATOM 617 N VAL A 42 -2.039 -9.226 0.808 1.00 0.00 N ATOM 618 CA VAL A 42 -3.177 -8.371 0.492 1.00 0.00 C ATOM 619 C VAL A 42 -3.426 -7.356 1.602 1.00 0.00 C ATOM 620 O VAL A 42 -3.906 -6.251 1.350 1.00 0.00 O ATOM 621 CB VAL A 42 -4.457 -9.198 0.271 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.635 -8.288 -0.038 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.249 -10.213 -0.843 1.00 0.00 C ATOM 0 H VAL A 42 -2.183 -10.214 0.600 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.931 -7.844 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.681 -9.741 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.530 -8.891 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.796 -7.605 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.425 -7.715 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.163 -10.789 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.000 -9.692 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.435 -10.886 -0.575 1.00 0.00 H new ATOM 633 N ARG A 43 -3.096 -7.738 2.831 1.00 0.00 N ATOM 634 CA ARG A 43 -3.285 -6.862 3.981 1.00 0.00 C ATOM 635 C ARG A 43 -2.084 -5.938 4.163 1.00 0.00 C ATOM 636 O ARG A 43 -2.223 -4.806 4.626 1.00 0.00 O ATOM 637 CB ARG A 43 -3.503 -7.689 5.249 1.00 0.00 C ATOM 638 CG ARG A 43 -4.887 -8.312 5.339 1.00 0.00 C ATOM 639 CD ARG A 43 -5.943 -7.275 5.688 1.00 0.00 C ATOM 640 NE ARG A 43 -5.998 -7.011 7.123 1.00 0.00 N ATOM 641 CZ ARG A 43 -6.560 -7.835 8.001 1.00 0.00 C ATOM 642 NH1 ARG A 43 -7.112 -8.968 7.592 1.00 0.00 N ATOM 643 NH2 ARG A 43 -6.570 -7.525 9.291 1.00 0.00 N ATOM 0 H ARG A 43 -2.696 -8.649 3.056 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.168 -6.250 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.754 -8.480 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.343 -7.053 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.138 -8.783 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.885 -9.099 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.730 -6.347 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.918 -7.621 5.346 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.582 -6.147 7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.106 -9.210 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.543 -9.599 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.146 -6.654 9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.002 -8.158 9.964 1.00 0.00 H new ATOM 657 N SER A 44 -0.904 -6.430 3.796 1.00 0.00 N ATOM 658 CA SER A 44 0.322 -5.651 3.923 1.00 0.00 C ATOM 659 C SER A 44 0.272 -4.412 3.035 1.00 0.00 C ATOM 660 O SER A 44 0.922 -3.405 3.320 1.00 0.00 O ATOM 661 CB SER A 44 1.535 -6.507 3.556 1.00 0.00 C ATOM 662 OG SER A 44 1.756 -7.521 4.522 1.00 0.00 O ATOM 0 H SER A 44 -0.772 -7.364 3.409 1.00 0.00 H new ATOM 0 HA SER A 44 0.414 -5.330 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.381 -6.961 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.420 -5.875 3.479 1.00 0.00 H new ATOM 0 HG SER A 44 2.536 -8.055 4.263 1.00 0.00 H new ATOM 668 N ILE A 45 -0.503 -4.493 1.959 1.00 0.00 N ATOM 669 CA ILE A 45 -0.639 -3.378 1.030 1.00 0.00 C ATOM 670 C ILE A 45 -1.475 -2.256 1.635 1.00 0.00 C ATOM 671 O ILE A 45 -1.041 -1.106 1.690 1.00 0.00 O ATOM 672 CB ILE A 45 -1.282 -3.826 -0.296 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.556 -5.052 -0.852 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.261 -2.688 -1.305 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.205 -5.627 -2.092 1.00 0.00 C ATOM 0 H ILE A 45 -1.046 -5.319 1.709 1.00 0.00 H new ATOM 0 HA ILE A 45 0.367 -3.009 0.830 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.320 -4.098 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.474 -4.781 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.517 -5.822 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.719 -3.020 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.819 -1.840 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.230 -2.388 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.637 -6.494 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.226 -5.930 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.219 -4.872 -2.878 1.00 0.00 H new ATOM 687 N GLN A 46 -2.676 -2.600 2.090 1.00 0.00 N ATOM 688 CA GLN A 46 -3.573 -1.622 2.693 1.00 0.00 C ATOM 689 C GLN A 46 -2.814 -0.699 3.642 1.00 0.00 C ATOM 690 O GLN A 46 -3.059 0.507 3.679 1.00 0.00 O ATOM 691 CB GLN A 46 -4.702 -2.329 3.445 1.00 0.00 C ATOM 692 CG GLN A 46 -5.792 -2.872 2.535 1.00 0.00 C ATOM 693 CD GLN A 46 -7.077 -3.173 3.280 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.882 -2.278 3.542 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.278 -4.439 3.627 1.00 0.00 N ATOM 0 H GLN A 46 -3.050 -3.548 2.052 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.001 -1.018 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.282 -3.151 4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.147 -1.632 4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.995 -2.148 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.436 -3.781 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.585 -5.149 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.125 -4.701 4.130 1.00 0.00 H new ATOM 704 N ARG A 47 -1.892 -1.274 4.407 1.00 0.00 N ATOM 705 CA ARG A 47 -1.099 -0.504 5.357 1.00 0.00 C ATOM 706 C ARG A 47 -0.512 0.739 4.693 1.00 0.00 C ATOM 707 O ARG A 47 -0.525 1.826 5.269 1.00 0.00 O ATOM 708 CB ARG A 47 0.025 -1.366 5.933 1.00 0.00 C ATOM 709 CG ARG A 47 -0.423 -2.275 7.066 1.00 0.00 C ATOM 710 CD ARG A 47 0.751 -2.710 7.929 1.00 0.00 C ATOM 711 NE ARG A 47 0.991 -1.785 9.033 1.00 0.00 N ATOM 712 CZ ARG A 47 0.218 -1.711 10.111 1.00 0.00 C ATOM 713 NH1 ARG A 47 -0.839 -2.503 10.230 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.502 -0.843 11.074 1.00 0.00 N ATOM 0 H ARG A 47 -1.676 -2.271 4.387 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.756 -0.187 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.449 -1.976 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.822 -0.715 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.156 -1.755 7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.919 -3.154 6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.559 -3.707 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.648 -2.780 7.313 1.00 0.00 H new ATOM 0 HE ARG A 47 1.796 -1.162 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.061 -3.172 9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.430 -2.443 11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.314 -0.232 10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.092 -0.787 11.901 1.00 0.00 H new ATOM 728 N TRP A 48 0.001 0.568 3.480 1.00 0.00 N ATOM 729 CA TRP A 48 0.593 1.676 2.739 1.00 0.00 C ATOM 730 C TRP A 48 -0.477 2.667 2.294 1.00 0.00 C ATOM 731 O TRP A 48 -0.326 3.877 2.465 1.00 0.00 O ATOM 732 CB TRP A 48 1.357 1.151 1.522 1.00 0.00 C ATOM 733 CG TRP A 48 2.040 2.231 0.738 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.358 2.583 0.803 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.437 3.101 -0.227 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.611 3.619 -0.064 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.449 3.954 -0.707 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.142 3.241 -0.732 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.204 4.932 -1.668 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.100 4.212 -1.685 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.927 5.047 -2.145 1.00 0.00 C ATOM 0 H TRP A 48 0.019 -0.326 2.989 1.00 0.00 H new ATOM 0 HA TRP A 48 1.288 2.193 3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.101 0.427 1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.665 0.620 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.093 2.116 1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.517 4.066 -0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.656 2.602 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.994 5.577 -2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.098 4.329 -2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.706 5.796 -2.891 1.00 0.00 H new ATOM 752 N PHE A 49 -1.558 2.147 1.722 1.00 0.00 N ATOM 753 CA PHE A 49 -2.653 2.987 1.251 1.00 0.00 C ATOM 754 C PHE A 49 -3.187 3.866 2.378 1.00 0.00 C ATOM 755 O PHE A 49 -3.226 5.091 2.259 1.00 0.00 O ATOM 756 CB PHE A 49 -3.782 2.121 0.687 1.00 0.00 C ATOM 757 CG PHE A 49 -3.608 1.783 -0.766 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.725 2.763 -1.738 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.328 0.484 -1.160 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.567 2.454 -3.076 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.168 0.169 -2.496 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.287 1.156 -3.455 1.00 0.00 C ATOM 0 H PHE A 49 -1.699 1.148 1.573 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.269 3.632 0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.843 1.197 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.730 2.642 0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.942 3.780 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.234 -0.291 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.662 3.227 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.950 -0.847 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.161 0.913 -4.500 1.00 0.00 H new ATOM 772 N ARG A 50 -3.596 3.232 3.472 1.00 0.00 N ATOM 773 CA ARG A 50 -4.129 3.956 4.620 1.00 0.00 C ATOM 774 C ARG A 50 -3.145 5.020 5.097 1.00 0.00 C ATOM 775 O ARG A 50 -3.546 6.083 5.570 1.00 0.00 O ATOM 776 CB ARG A 50 -4.441 2.986 5.762 1.00 0.00 C ATOM 777 CG ARG A 50 -3.212 2.286 6.319 1.00 0.00 C ATOM 778 CD ARG A 50 -3.480 1.705 7.698 1.00 0.00 C ATOM 779 NE ARG A 50 -4.376 0.553 7.642 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.476 -0.349 8.612 1.00 0.00 C ATOM 781 NH1 ARG A 50 -3.738 -0.233 9.707 1.00 0.00 N ATOM 782 NH2 ARG A 50 -5.315 -1.369 8.487 1.00 0.00 N ATOM 0 H ARG A 50 -3.569 2.219 3.588 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.050 4.450 4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.934 3.532 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.147 2.235 5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.907 1.490 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.384 2.992 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.536 1.408 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.917 2.473 8.336 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.957 0.435 6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.092 0.550 9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.816 -0.927 10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.884 -1.461 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.391 -2.061 9.232 1.00 0.00 H new ATOM 796 N GLN A 51 -1.855 4.725 4.969 1.00 0.00 N ATOM 797 CA GLN A 51 -0.814 5.656 5.388 1.00 0.00 C ATOM 798 C GLN A 51 -0.781 6.881 4.480 1.00 0.00 C ATOM 799 O GLN A 51 -0.569 8.002 4.942 1.00 0.00 O ATOM 800 CB GLN A 51 0.551 4.965 5.381 1.00 0.00 C ATOM 801 CG GLN A 51 0.885 4.266 6.689 1.00 0.00 C ATOM 802 CD GLN A 51 2.341 3.850 6.773 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.871 3.218 5.859 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.995 4.203 7.873 1.00 0.00 N ATOM 0 H GLN A 51 -1.506 3.849 4.579 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.042 5.984 6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.575 4.235 4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.322 5.705 5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.652 4.930 7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.252 3.385 6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.516 4.727 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.977 3.951 7.986 1.00 0.00 H new ATOM 813 N ARG A 52 -0.992 6.658 3.187 1.00 0.00 N ATOM 814 CA ARG A 52 -0.985 7.744 2.214 1.00 0.00 C ATOM 815 C ARG A 52 -2.182 8.668 2.421 1.00 0.00 C ATOM 816 O ARG A 52 -2.026 9.883 2.545 1.00 0.00 O ATOM 817 CB ARG A 52 -1.001 7.182 0.791 1.00 0.00 C ATOM 818 CG ARG A 52 -0.561 8.183 -0.264 1.00 0.00 C ATOM 819 CD ARG A 52 0.942 8.413 -0.222 1.00 0.00 C ATOM 820 NE ARG A 52 1.352 9.515 -1.087 1.00 0.00 N ATOM 821 CZ ARG A 52 2.543 10.099 -1.018 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.437 9.687 -0.130 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.843 11.097 -1.840 1.00 0.00 N ATOM 0 H ARG A 52 -1.170 5.736 2.789 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.073 8.322 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.349 6.310 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.009 6.839 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.847 7.822 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.079 9.129 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.248 8.624 0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.457 7.502 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 52 0.688 9.855 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.211 8.919 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.351 10.137 -0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.159 11.416 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.758 11.545 -1.786 1.00 0.00 H new ATOM 837 N ARG A 53 -3.375 8.083 2.457 1.00 0.00 N ATOM 838 CA ARG A 53 -4.598 8.853 2.647 1.00 0.00 C ATOM 839 C ARG A 53 -4.438 9.853 3.789 1.00 0.00 C ATOM 840 O ARG A 53 -4.755 11.033 3.642 1.00 0.00 O ATOM 841 CB ARG A 53 -5.775 7.919 2.934 1.00 0.00 C ATOM 842 CG ARG A 53 -5.979 6.853 1.871 1.00 0.00 C ATOM 843 CD ARG A 53 -7.281 6.096 2.084 1.00 0.00 C ATOM 844 NE ARG A 53 -7.162 5.087 3.133 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.315 5.351 4.426 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.592 6.584 4.827 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.192 4.379 5.321 1.00 0.00 N ATOM 0 H ARG A 53 -3.520 7.078 2.357 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.797 9.405 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.617 7.434 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.685 8.512 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.984 7.317 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.143 6.154 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.071 6.800 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.578 5.616 1.151 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.950 4.128 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.688 7.334 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.709 6.783 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.980 3.429 5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.309 4.582 6.314 1.00 0.00 H new ATOM 861 N ASN A 54 -3.945 9.372 4.926 1.00 0.00 N ATOM 862 CA ASN A 54 -3.745 10.224 6.092 1.00 0.00 C ATOM 863 C ASN A 54 -3.081 11.540 5.698 1.00 0.00 C ATOM 864 O ASN A 54 -3.580 12.618 6.021 1.00 0.00 O ATOM 865 CB ASN A 54 -2.890 9.502 7.136 1.00 0.00 C ATOM 866 CG ASN A 54 -2.657 10.343 8.375 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.641 11.573 8.310 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.474 9.683 9.513 1.00 0.00 N ATOM 0 H ASN A 54 -3.677 8.398 5.064 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.722 10.445 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.378 8.570 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.929 9.237 6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.312 10.196 10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.495 8.663 9.520 1.00 0.00 H new ATOM 875 N GLN A 55 -1.956 11.443 4.998 1.00 0.00 N ATOM 876 CA GLN A 55 -1.225 12.626 4.560 1.00 0.00 C ATOM 877 C GLN A 55 -2.120 13.545 3.735 1.00 0.00 C ATOM 878 O GLN A 55 -2.105 14.762 3.911 1.00 0.00 O ATOM 879 CB GLN A 55 0.001 12.219 3.740 1.00 0.00 C ATOM 880 CG GLN A 55 1.108 11.593 4.572 1.00 0.00 C ATOM 881 CD GLN A 55 1.654 12.538 5.624 1.00 0.00 C ATOM 882 OE1 GLN A 55 1.636 13.757 5.449 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.142 11.980 6.725 1.00 0.00 N ATOM 0 H GLN A 55 -1.531 10.558 4.722 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.897 13.168 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.306 11.513 2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.394 13.098 3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.728 10.695 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.919 11.280 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.137 10.965 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.522 12.566 7.468 1.00 0.00 H new ATOM 892 N GLU A 56 -2.899 12.953 2.835 1.00 0.00 N ATOM 893 CA GLU A 56 -3.800 13.720 1.983 1.00 0.00 C ATOM 894 C GLU A 56 -4.448 14.860 2.763 1.00 0.00 C ATOM 895 O GLU A 56 -5.356 14.643 3.565 1.00 0.00 O ATOM 896 CB GLU A 56 -4.882 12.810 1.397 1.00 0.00 C ATOM 897 CG GLU A 56 -5.434 13.298 0.068 1.00 0.00 C ATOM 898 CD GLU A 56 -5.705 14.790 0.062 1.00 0.00 C ATOM 899 OE1 GLU A 56 -6.467 15.257 0.934 1.00 0.00 O ATOM 900 OE2 GLU A 56 -5.157 15.489 -0.815 1.00 0.00 O ATOM 0 H GLU A 56 -2.924 11.946 2.677 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.213 14.146 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.471 11.809 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.701 12.726 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.726 13.058 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.357 12.764 -0.156 1.00 0.00 H new ATOM 907 N LYS A 57 -3.972 16.078 2.523 1.00 0.00 N ATOM 908 CA LYS A 57 -4.503 17.254 3.201 1.00 0.00 C ATOM 909 C LYS A 57 -5.291 18.131 2.233 1.00 0.00 C ATOM 910 O LYS A 57 -4.909 18.321 1.078 1.00 0.00 O ATOM 911 CB LYS A 57 -3.366 18.064 3.828 1.00 0.00 C ATOM 912 CG LYS A 57 -3.790 18.865 5.047 1.00 0.00 C ATOM 913 CD LYS A 57 -2.588 19.403 5.806 1.00 0.00 C ATOM 914 CE LYS A 57 -2.056 20.680 5.174 1.00 0.00 C ATOM 915 NZ LYS A 57 -1.191 20.397 3.996 1.00 0.00 N ATOM 0 H LYS A 57 -3.219 16.276 1.864 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.177 16.915 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.561 17.386 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.960 18.745 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.426 19.694 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.387 18.236 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.867 19.597 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.801 18.649 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.892 21.309 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.488 21.243 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.377 21.044 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.853 19.414 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.738 20.535 3.122 1.00 0.00 H new ATOM 929 N PRO A 58 -6.418 18.679 2.712 1.00 0.00 N ATOM 930 CA PRO A 58 -7.282 19.546 1.905 1.00 0.00 C ATOM 931 C PRO A 58 -6.635 20.895 1.609 1.00 0.00 C ATOM 932 O PRO A 58 -6.093 21.544 2.504 1.00 0.00 O ATOM 933 CB PRO A 58 -8.521 19.729 2.785 1.00 0.00 C ATOM 934 CG PRO A 58 -8.033 19.517 4.176 1.00 0.00 C ATOM 935 CD PRO A 58 -6.935 18.495 4.079 1.00 0.00 C ATOM 0 HA PRO A 58 -7.496 19.113 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.949 20.724 2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.300 19.012 2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.663 20.448 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.837 19.165 4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.161 18.664 4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.312 17.484 4.233 1.00 0.00 H new ATOM 943 N SER A 59 -6.695 21.311 0.348 1.00 0.00 N ATOM 944 CA SER A 59 -6.112 22.582 -0.066 1.00 0.00 C ATOM 945 C SER A 59 -6.539 23.707 0.872 1.00 0.00 C ATOM 946 O SER A 59 -7.633 23.681 1.433 1.00 0.00 O ATOM 947 CB SER A 59 -6.527 22.914 -1.500 1.00 0.00 C ATOM 948 OG SER A 59 -5.875 24.085 -1.962 1.00 0.00 O ATOM 0 H SER A 59 -7.141 20.787 -0.404 1.00 0.00 H new ATOM 0 HA SER A 59 -5.027 22.487 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.285 22.077 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.607 23.053 -1.546 1.00 0.00 H new ATOM 0 HG SER A 59 -6.156 24.275 -2.882 1.00 0.00 H new ATOM 954 N GLY A 60 -5.664 24.695 1.038 1.00 0.00 N ATOM 955 CA GLY A 60 -5.967 25.816 1.908 1.00 0.00 C ATOM 956 C GLY A 60 -5.450 27.131 1.361 1.00 0.00 C ATOM 957 O GLY A 60 -5.152 27.260 0.173 1.00 0.00 O ATOM 0 H GLY A 60 -4.751 24.739 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.046 25.883 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.530 25.638 2.890 1.00 0.00 H new ATOM 961 N PRO A 61 -5.338 28.139 2.239 1.00 0.00 N ATOM 962 CA PRO A 61 -4.854 29.470 1.860 1.00 0.00 C ATOM 963 C PRO A 61 -3.368 29.471 1.520 1.00 0.00 C ATOM 964 O PRO A 61 -2.519 29.571 2.406 1.00 0.00 O ATOM 965 CB PRO A 61 -5.118 30.313 3.110 1.00 0.00 C ATOM 966 CG PRO A 61 -5.117 29.334 4.234 1.00 0.00 C ATOM 967 CD PRO A 61 -5.675 28.057 3.670 1.00 0.00 C ATOM 0 HA PRO A 61 -5.350 29.845 0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.348 31.072 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.072 30.836 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.109 29.183 4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.725 29.693 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.226 27.181 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.751 27.986 3.826 1.00 0.00 H new ATOM 975 N SER A 62 -3.060 29.360 0.232 1.00 0.00 N ATOM 976 CA SER A 62 -1.675 29.345 -0.225 1.00 0.00 C ATOM 977 C SER A 62 -0.954 30.625 0.187 1.00 0.00 C ATOM 978 O SER A 62 -1.317 31.720 -0.241 1.00 0.00 O ATOM 979 CB SER A 62 -1.618 29.180 -1.744 1.00 0.00 C ATOM 980 OG SER A 62 -2.277 27.994 -2.154 1.00 0.00 O ATOM 0 H SER A 62 -3.751 29.279 -0.514 1.00 0.00 H new ATOM 0 HA SER A 62 -1.173 28.498 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.082 30.042 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.579 29.154 -2.071 1.00 0.00 H new ATOM 0 HG SER A 62 -2.228 27.913 -3.129 1.00 0.00 H new ATOM 986 N SER A 63 0.071 30.477 1.021 1.00 0.00 N ATOM 987 CA SER A 63 0.842 31.621 1.494 1.00 0.00 C ATOM 988 C SER A 63 1.748 32.159 0.391 1.00 0.00 C ATOM 989 O SER A 63 2.588 31.438 -0.145 1.00 0.00 O ATOM 990 CB SER A 63 1.680 31.229 2.712 1.00 0.00 C ATOM 991 OG SER A 63 0.893 31.215 3.890 1.00 0.00 O ATOM 0 H SER A 63 0.386 29.577 1.383 1.00 0.00 H new ATOM 0 HA SER A 63 0.142 32.406 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.120 30.244 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.505 31.931 2.831 1.00 0.00 H new ATOM 0 HG SER A 63 1.452 30.960 4.654 1.00 0.00 H new ATOM 997 N GLY A 64 1.570 33.434 0.056 1.00 0.00 N ATOM 998 CA GLY A 64 2.378 34.048 -0.981 1.00 0.00 C ATOM 999 C GLY A 64 3.516 34.875 -0.416 1.00 0.00 C ATOM 1000 O GLY A 64 3.447 36.104 -0.393 1.00 0.00 O ATOM 0 H GLY A 64 0.881 34.052 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.784 33.271 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.746 34.682 -1.602 1.00 0.00 H new TER 1004 GLY A 64