USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 -4:sc= 0.619 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 8:sc= 0.721! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.387 F(o=-1.1,f=-0.39) USER MOD Single : A 14 HIS : no HD1:sc= -0.0192 K(o=-0.019,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= 0.113 (180deg=-0.493!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 90:sc= -0.845 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.653 F(o=-3.4!,f=-0.65) USER MOD Single : A 37 SER OG : rot 180:sc= -0.661 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.505 K(o=-0.51,f=-8.7!) USER MOD Single : A 55 THR OG1 : rot -56:sc= 0.984 USER MOD Single : A 57 THR OG1 : rot -111:sc= -0.499 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.559 USER MOD Single : A 67 THR OG1 : rot -51:sc= 0.481 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -16.6! C(o=-17!,f=-22!) USER MOD Single : A 79 THR OG1 : rot 106:sc= 1.23 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0041 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.764 13.207 -12.087 1.00 0.00 N ATOM 2 CA GLY A 1 5.954 13.675 -12.773 1.00 0.00 C ATOM 3 C GLY A 1 7.222 13.393 -11.993 1.00 0.00 C ATOM 4 O GLY A 1 7.322 13.733 -10.814 1.00 0.00 O ATOM 0 H1 GLY A 1 3.924 13.424 -12.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.829 12.179 -11.942 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.685 13.682 -11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.018 13.196 -13.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.870 14.747 -12.949 1.00 0.00 H new ATOM 8 N SER A 2 8.194 12.770 -12.651 1.00 0.00 N ATOM 9 CA SER A 2 9.461 12.437 -12.009 1.00 0.00 C ATOM 10 C SER A 2 10.589 12.372 -13.035 1.00 0.00 C ATOM 11 O SER A 2 10.554 11.563 -13.962 1.00 0.00 O ATOM 12 CB SER A 2 9.348 11.101 -11.272 1.00 0.00 C ATOM 13 OG SER A 2 9.425 10.012 -12.176 1.00 0.00 O ATOM 0 H SER A 2 8.129 12.485 -13.628 1.00 0.00 H new ATOM 0 HA SER A 2 9.693 13.222 -11.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.145 11.021 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.404 11.061 -10.728 1.00 0.00 H new ATOM 0 HG SER A 2 9.466 10.352 -13.094 1.00 0.00 H new ATOM 19 N SER A 3 11.588 13.231 -12.861 1.00 0.00 N ATOM 20 CA SER A 3 12.725 13.275 -13.773 1.00 0.00 C ATOM 21 C SER A 3 13.558 12.001 -13.665 1.00 0.00 C ATOM 22 O SER A 3 13.577 11.345 -12.624 1.00 0.00 O ATOM 23 CB SER A 3 13.599 14.495 -13.474 1.00 0.00 C ATOM 24 OG SER A 3 13.108 15.648 -14.136 1.00 0.00 O ATOM 0 H SER A 3 11.633 13.906 -12.097 1.00 0.00 H new ATOM 0 HA SER A 3 12.340 13.352 -14.790 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.626 14.673 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.624 14.299 -13.790 1.00 0.00 H new ATOM 0 HG SER A 3 13.682 16.414 -13.928 1.00 0.00 H new ATOM 30 N GLY A 4 14.246 11.657 -14.749 1.00 0.00 N ATOM 31 CA GLY A 4 15.071 10.463 -14.757 1.00 0.00 C ATOM 32 C GLY A 4 14.372 9.271 -14.133 1.00 0.00 C ATOM 33 O GLY A 4 14.424 9.077 -12.919 1.00 0.00 O ATOM 0 H GLY A 4 14.247 12.184 -15.622 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.346 10.222 -15.784 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.997 10.661 -14.217 1.00 0.00 H new ATOM 37 N SER A 5 13.713 8.471 -14.966 1.00 0.00 N ATOM 38 CA SER A 5 12.995 7.295 -14.489 1.00 0.00 C ATOM 39 C SER A 5 13.915 6.392 -13.672 1.00 0.00 C ATOM 40 O SER A 5 14.946 5.932 -14.162 1.00 0.00 O ATOM 41 CB SER A 5 12.411 6.515 -15.668 1.00 0.00 C ATOM 42 OG SER A 5 13.414 5.760 -16.327 1.00 0.00 O ATOM 0 H SER A 5 13.662 8.616 -15.974 1.00 0.00 H new ATOM 0 HA SER A 5 12.181 7.632 -13.847 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.624 5.849 -15.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.950 7.207 -16.373 1.00 0.00 H new ATOM 0 HG SER A 5 14.248 5.805 -15.814 1.00 0.00 H new ATOM 48 N SER A 6 13.533 6.143 -12.424 1.00 0.00 N ATOM 49 CA SER A 6 14.324 5.299 -11.536 1.00 0.00 C ATOM 50 C SER A 6 13.555 4.987 -10.255 1.00 0.00 C ATOM 51 O SER A 6 12.895 5.856 -9.687 1.00 0.00 O ATOM 52 CB SER A 6 15.649 5.982 -11.195 1.00 0.00 C ATOM 53 OG SER A 6 16.647 5.028 -10.876 1.00 0.00 O ATOM 0 H SER A 6 12.680 6.514 -12.005 1.00 0.00 H new ATOM 0 HA SER A 6 14.529 4.362 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.977 6.588 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.507 6.659 -10.353 1.00 0.00 H new ATOM 0 HG SER A 6 17.485 5.490 -10.663 1.00 0.00 H new ATOM 59 N GLY A 7 13.646 3.738 -9.807 1.00 0.00 N ATOM 60 CA GLY A 7 12.955 3.332 -8.598 1.00 0.00 C ATOM 61 C GLY A 7 13.822 2.479 -7.693 1.00 0.00 C ATOM 62 O GLY A 7 14.525 1.584 -8.161 1.00 0.00 O ATOM 0 H GLY A 7 14.186 3.001 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.630 4.219 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.057 2.775 -8.866 1.00 0.00 H new ATOM 66 N GLU A 8 13.773 2.757 -6.394 1.00 0.00 N ATOM 67 CA GLU A 8 14.562 2.009 -5.423 1.00 0.00 C ATOM 68 C GLU A 8 13.659 1.272 -4.439 1.00 0.00 C ATOM 69 O GLU A 8 12.596 1.769 -4.063 1.00 0.00 O ATOM 70 CB GLU A 8 15.502 2.949 -4.664 1.00 0.00 C ATOM 71 CG GLU A 8 16.685 2.241 -4.025 1.00 0.00 C ATOM 72 CD GLU A 8 17.690 3.207 -3.428 1.00 0.00 C ATOM 73 OE1 GLU A 8 17.288 4.331 -3.063 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.879 2.838 -3.327 1.00 0.00 O ATOM 0 H GLU A 8 13.195 3.494 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 8 15.155 1.273 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.872 3.711 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.937 3.466 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.324 1.570 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.181 1.623 -4.773 1.00 0.00 H new ATOM 81 N HIS A 9 14.088 0.084 -4.026 1.00 0.00 N ATOM 82 CA HIS A 9 13.318 -0.722 -3.085 1.00 0.00 C ATOM 83 C HIS A 9 14.102 -0.949 -1.795 1.00 0.00 C ATOM 84 O HIS A 9 15.007 -1.781 -1.745 1.00 0.00 O ATOM 85 CB HIS A 9 12.950 -2.066 -3.714 1.00 0.00 C ATOM 86 CG HIS A 9 14.123 -2.799 -4.291 1.00 0.00 C ATOM 87 ND1 HIS A 9 14.891 -2.529 -5.372 1.00 0.00 N flip ATOM 88 CD2 HIS A 9 14.627 -3.960 -3.745 1.00 0.00 C flip ATOM 89 CE1 HIS A 9 15.835 -3.522 -5.459 1.00 0.00 C flip ATOM 90 NE2 HIS A 9 15.655 -4.373 -4.465 1.00 0.00 N flip ATOM 0 H HIS A 9 14.964 -0.342 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 9 12.404 -0.179 -2.844 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.476 -2.693 -2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.213 -1.900 -4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.242 -4.455 -2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.601 -3.595 -6.217 1.00 0.00 H new ATOM 0 HE2 HIS A 9 16.214 -5.207 -4.284 1.00 0.00 H new ATOM 99 N GLY A 10 13.747 -0.201 -0.754 1.00 0.00 N ATOM 100 CA GLY A 10 14.428 -0.335 0.521 1.00 0.00 C ATOM 101 C GLY A 10 14.192 0.854 1.431 1.00 0.00 C ATOM 102 O GLY A 10 14.000 0.694 2.637 1.00 0.00 O ATOM 0 H GLY A 10 13.001 0.494 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.087 -1.243 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.498 -0.450 0.348 1.00 0.00 H new ATOM 106 N LEU A 11 14.209 2.051 0.855 1.00 0.00 N ATOM 107 CA LEU A 11 13.997 3.273 1.623 1.00 0.00 C ATOM 108 C LEU A 11 12.519 3.459 1.954 1.00 0.00 C ATOM 109 O LEU A 11 12.132 4.445 2.581 1.00 0.00 O ATOM 110 CB LEU A 11 14.513 4.484 0.844 1.00 0.00 C ATOM 111 CG LEU A 11 13.634 4.962 -0.313 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.161 3.782 -1.147 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.447 5.757 0.212 1.00 0.00 C ATOM 0 H LEU A 11 14.367 2.201 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 11 14.551 3.186 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.642 5.311 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.500 4.243 0.449 1.00 0.00 H new ATOM 0 HG LEU A 11 14.230 5.615 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.537 4.142 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.024 3.255 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.582 3.103 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.833 6.089 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.851 5.127 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.806 6.625 0.765 1.00 0.00 H new ATOM 125 N LEU A 12 11.699 2.504 1.530 1.00 0.00 N ATOM 126 CA LEU A 12 10.263 2.560 1.783 1.00 0.00 C ATOM 127 C LEU A 12 9.976 2.601 3.281 1.00 0.00 C ATOM 128 O LEU A 12 9.302 3.508 3.770 1.00 0.00 O ATOM 129 CB LEU A 12 9.566 1.354 1.151 1.00 0.00 C ATOM 130 CG LEU A 12 9.221 1.481 -0.333 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.871 0.121 -0.917 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.073 2.460 -0.532 1.00 0.00 C ATOM 0 H LEU A 12 12.004 1.681 1.009 1.00 0.00 H new ATOM 0 HA LEU A 12 9.875 3.473 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.205 0.481 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.646 1.161 1.702 1.00 0.00 H new ATOM 0 HG LEU A 12 10.095 1.866 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.628 0.230 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.722 -0.552 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.012 -0.292 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.841 2.538 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.194 2.105 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.360 3.440 -0.151 1.00 0.00 H new ATOM 144 N VAL A 13 10.493 1.613 4.004 1.00 0.00 N ATOM 145 CA VAL A 13 10.295 1.538 5.447 1.00 0.00 C ATOM 146 C VAL A 13 10.786 2.806 6.136 1.00 0.00 C ATOM 147 O VAL A 13 10.154 3.302 7.070 1.00 0.00 O ATOM 148 CB VAL A 13 11.025 0.324 6.051 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.467 -0.972 5.483 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.523 0.424 5.800 1.00 0.00 C ATOM 0 H VAL A 13 11.052 0.854 3.615 1.00 0.00 H new ATOM 0 HA VAL A 13 9.223 1.429 5.614 1.00 0.00 H new ATOM 0 HB VAL A 13 10.859 0.322 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.995 -1.819 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.405 -1.045 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.600 -0.982 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.023 -0.442 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.711 0.452 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.909 1.334 6.260 1.00 0.00 H new ATOM 160 N HIS A 14 11.916 3.328 5.669 1.00 0.00 N ATOM 161 CA HIS A 14 12.491 4.541 6.240 1.00 0.00 C ATOM 162 C HIS A 14 11.550 5.728 6.055 1.00 0.00 C ATOM 163 O HIS A 14 11.154 6.376 7.024 1.00 0.00 O ATOM 164 CB HIS A 14 13.844 4.842 5.594 1.00 0.00 C ATOM 165 CG HIS A 14 14.996 4.169 6.275 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.147 2.800 6.322 1.00 0.00 N ATOM 167 CD2 HIS A 14 16.057 4.687 6.937 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.250 2.503 6.985 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.821 3.631 7.369 1.00 0.00 N ATOM 0 H HIS A 14 12.451 2.930 4.897 1.00 0.00 H new ATOM 0 HA HIS A 14 12.635 4.377 7.308 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.817 4.529 4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.008 5.920 5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.264 5.735 7.096 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.622 1.508 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.689 3.705 7.900 1.00 0.00 H new ATOM 178 N LYS A 15 11.197 6.007 4.805 1.00 0.00 N ATOM 179 CA LYS A 15 10.302 7.115 4.492 1.00 0.00 C ATOM 180 C LYS A 15 8.874 6.801 4.926 1.00 0.00 C ATOM 181 O LYS A 15 8.294 5.800 4.505 1.00 0.00 O ATOM 182 CB LYS A 15 10.336 7.417 2.992 1.00 0.00 C ATOM 183 CG LYS A 15 9.350 8.491 2.565 1.00 0.00 C ATOM 184 CD LYS A 15 9.129 8.479 1.062 1.00 0.00 C ATOM 185 CE LYS A 15 8.157 9.567 0.633 1.00 0.00 C ATOM 186 NZ LYS A 15 8.335 9.937 -0.798 1.00 0.00 N ATOM 0 H LYS A 15 11.517 5.481 3.992 1.00 0.00 H new ATOM 0 HA LYS A 15 10.645 7.992 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.343 7.730 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.124 6.501 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.399 8.337 3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.721 9.469 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.082 8.619 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.745 7.506 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.135 9.225 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.301 10.449 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.421 10.235 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.016 10.719 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.692 9.116 -1.327 1.00 0.00 H new ATOM 200 N ALA A 16 8.313 7.662 5.768 1.00 0.00 N ATOM 201 CA ALA A 16 6.952 7.478 6.256 1.00 0.00 C ATOM 202 C ALA A 16 5.989 7.207 5.105 1.00 0.00 C ATOM 203 O ALA A 16 6.026 7.885 4.078 1.00 0.00 O ATOM 204 CB ALA A 16 6.504 8.699 7.045 1.00 0.00 C ATOM 0 H ALA A 16 8.780 8.495 6.127 1.00 0.00 H new ATOM 0 HA ALA A 16 6.943 6.610 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.486 8.547 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.170 8.847 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.535 9.579 6.402 1.00 0.00 H new ATOM 210 N VAL A 17 5.127 6.210 5.283 1.00 0.00 N ATOM 211 CA VAL A 17 4.153 5.850 4.259 1.00 0.00 C ATOM 212 C VAL A 17 3.240 7.025 3.931 1.00 0.00 C ATOM 213 O VAL A 17 2.808 7.190 2.790 1.00 0.00 O ATOM 214 CB VAL A 17 3.292 4.652 4.701 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.268 4.306 3.631 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.171 3.451 5.017 1.00 0.00 C ATOM 0 H VAL A 17 5.084 5.638 6.126 1.00 0.00 H new ATOM 0 HA VAL A 17 4.717 5.574 3.368 1.00 0.00 H new ATOM 0 HB VAL A 17 2.755 4.929 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.669 3.457 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.618 5.164 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.782 4.049 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.546 2.614 5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.737 3.171 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.861 3.707 5.821 1.00 0.00 H new ATOM 226 N ASP A 18 2.949 7.841 4.939 1.00 0.00 N ATOM 227 CA ASP A 18 2.088 9.003 4.758 1.00 0.00 C ATOM 228 C ASP A 18 2.757 10.041 3.862 1.00 0.00 C ATOM 229 O ASP A 18 2.165 11.071 3.537 1.00 0.00 O ATOM 230 CB ASP A 18 1.744 9.626 6.112 1.00 0.00 C ATOM 231 CG ASP A 18 2.763 10.660 6.550 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.877 10.262 6.949 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.445 11.866 6.493 1.00 0.00 O ATOM 0 H ASP A 18 3.297 7.718 5.890 1.00 0.00 H new ATOM 0 HA ASP A 18 1.169 8.671 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.760 10.092 6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.682 8.840 6.865 1.00 0.00 H new ATOM 238 N LYS A 19 3.995 9.764 3.467 1.00 0.00 N ATOM 239 CA LYS A 19 4.745 10.673 2.609 1.00 0.00 C ATOM 240 C LYS A 19 4.983 10.053 1.236 1.00 0.00 C ATOM 241 O LYS A 19 5.568 10.681 0.354 1.00 0.00 O ATOM 242 CB LYS A 19 6.085 11.030 3.257 1.00 0.00 C ATOM 243 CG LYS A 19 6.027 12.271 4.130 1.00 0.00 C ATOM 244 CD LYS A 19 5.139 12.058 5.345 1.00 0.00 C ATOM 245 CE LYS A 19 5.020 13.325 6.178 1.00 0.00 C ATOM 246 NZ LYS A 19 6.184 13.501 7.090 1.00 0.00 N ATOM 0 H LYS A 19 4.500 8.917 3.728 1.00 0.00 H new ATOM 0 HA LYS A 19 4.156 11.581 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.423 10.187 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.829 11.181 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.033 12.535 4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.650 13.111 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.148 11.740 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.547 11.255 5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.943 14.188 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.102 13.289 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.065 14.376 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.243 12.690 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.058 13.561 6.530 1.00 0.00 H new ATOM 260 N TRP A 20 4.523 8.819 1.062 1.00 0.00 N ATOM 261 CA TRP A 20 4.684 8.115 -0.206 1.00 0.00 C ATOM 262 C TRP A 20 3.872 8.786 -1.308 1.00 0.00 C ATOM 263 O TRP A 20 3.007 9.619 -1.037 1.00 0.00 O ATOM 264 CB TRP A 20 4.259 6.653 -0.058 1.00 0.00 C ATOM 265 CG TRP A 20 5.149 5.865 0.854 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.188 6.343 1.600 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.078 4.459 1.116 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.768 5.319 2.309 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.105 4.153 2.030 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.246 3.429 0.668 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.320 2.861 2.503 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.461 2.147 1.138 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.491 1.872 2.048 1.00 0.00 C ATOM 0 H TRP A 20 4.036 8.285 1.782 1.00 0.00 H new ATOM 0 HA TRP A 20 5.737 8.153 -0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.238 6.616 0.321 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.251 6.183 -1.041 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.507 7.374 1.629 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.563 5.412 2.941 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.449 3.631 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.113 2.647 3.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.824 1.343 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.633 0.860 2.397 1.00 0.00 H new ATOM 284 N THR A 21 4.155 8.417 -2.554 1.00 0.00 N ATOM 285 CA THR A 21 3.450 8.983 -3.697 1.00 0.00 C ATOM 286 C THR A 21 2.657 7.914 -4.439 1.00 0.00 C ATOM 287 O THR A 21 2.927 6.720 -4.304 1.00 0.00 O ATOM 288 CB THR A 21 4.426 9.657 -4.680 1.00 0.00 C ATOM 289 OG1 THR A 21 5.573 8.823 -4.881 1.00 0.00 O ATOM 290 CG2 THR A 21 4.867 11.017 -4.159 1.00 0.00 C ATOM 0 H THR A 21 4.868 7.729 -2.797 1.00 0.00 H new ATOM 0 HA THR A 21 2.763 9.733 -3.305 1.00 0.00 H new ATOM 0 HB THR A 21 3.910 9.799 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.409 8.217 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.556 11.473 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.995 11.659 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.367 10.894 -3.198 1.00 0.00 H new ATOM 298 N THR A 22 1.676 8.349 -5.224 1.00 0.00 N ATOM 299 CA THR A 22 0.843 7.429 -5.988 1.00 0.00 C ATOM 300 C THR A 22 1.666 6.271 -6.540 1.00 0.00 C ATOM 301 O THR A 22 1.179 5.146 -6.645 1.00 0.00 O ATOM 302 CB THR A 22 0.139 8.146 -7.155 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.097 9.517 -6.817 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.181 7.467 -7.490 1.00 0.00 C ATOM 0 H THR A 22 1.439 9.333 -5.347 1.00 0.00 H new ATOM 0 HA THR A 22 0.090 7.041 -5.302 1.00 0.00 H new ATOM 0 HB THR A 22 0.789 8.094 -8.029 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.543 9.966 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.660 7.991 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.995 6.431 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.834 7.492 -6.618 1.00 0.00 H new ATOM 312 N GLU A 23 2.917 6.554 -6.891 1.00 0.00 N ATOM 313 CA GLU A 23 3.807 5.534 -7.433 1.00 0.00 C ATOM 314 C GLU A 23 4.333 4.626 -6.325 1.00 0.00 C ATOM 315 O GLU A 23 4.056 3.428 -6.308 1.00 0.00 O ATOM 316 CB GLU A 23 4.978 6.187 -8.171 1.00 0.00 C ATOM 317 CG GLU A 23 5.413 5.430 -9.414 1.00 0.00 C ATOM 318 CD GLU A 23 4.238 4.929 -10.232 1.00 0.00 C ATOM 319 OE1 GLU A 23 3.613 5.748 -10.937 1.00 0.00 O ATOM 320 OE2 GLU A 23 3.945 3.717 -10.167 1.00 0.00 O ATOM 0 H GLU A 23 3.336 7.480 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 23 3.236 4.927 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.698 7.202 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.825 6.268 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.031 6.080 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.034 4.584 -9.121 1.00 0.00 H new ATOM 327 N GLU A 24 5.092 5.208 -5.402 1.00 0.00 N ATOM 328 CA GLU A 24 5.658 4.451 -4.292 1.00 0.00 C ATOM 329 C GLU A 24 4.601 3.558 -3.647 1.00 0.00 C ATOM 330 O GLU A 24 4.863 2.399 -3.327 1.00 0.00 O ATOM 331 CB GLU A 24 6.246 5.400 -3.245 1.00 0.00 C ATOM 332 CG GLU A 24 7.252 6.386 -3.815 1.00 0.00 C ATOM 333 CD GLU A 24 7.758 7.368 -2.777 1.00 0.00 C ATOM 334 OE1 GLU A 24 7.695 7.043 -1.573 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.217 8.461 -3.168 1.00 0.00 O ATOM 0 H GLU A 24 5.329 6.200 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 24 6.453 3.818 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.435 5.954 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.728 4.812 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.096 5.837 -4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.791 6.936 -4.636 1.00 0.00 H new ATOM 342 N VAL A 25 3.405 4.108 -3.461 1.00 0.00 N ATOM 343 CA VAL A 25 2.307 3.362 -2.856 1.00 0.00 C ATOM 344 C VAL A 25 2.102 2.023 -3.554 1.00 0.00 C ATOM 345 O VAL A 25 1.987 0.983 -2.904 1.00 0.00 O ATOM 346 CB VAL A 25 0.992 4.162 -2.906 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.154 3.340 -2.335 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.140 5.478 -2.157 1.00 0.00 C ATOM 0 H VAL A 25 3.172 5.067 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 25 2.578 3.187 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 25 0.763 4.387 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.075 3.921 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.273 2.427 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.064 3.082 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.201 6.030 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.393 5.278 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.932 6.070 -2.615 1.00 0.00 H new ATOM 358 N VAL A 26 2.058 2.054 -4.882 1.00 0.00 N ATOM 359 CA VAL A 26 1.869 0.842 -5.669 1.00 0.00 C ATOM 360 C VAL A 26 3.108 -0.044 -5.622 1.00 0.00 C ATOM 361 O VAL A 26 3.011 -1.271 -5.677 1.00 0.00 O ATOM 362 CB VAL A 26 1.543 1.172 -7.138 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.440 -0.103 -7.962 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.258 1.981 -7.230 1.00 0.00 C ATOM 0 H VAL A 26 2.151 2.906 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 26 1.027 0.307 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 26 2.355 1.775 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.209 0.150 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.388 -0.639 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.649 -0.734 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.043 2.205 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.565 1.406 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.374 2.912 -6.676 1.00 0.00 H new ATOM 374 N LEU A 27 4.274 0.585 -5.518 1.00 0.00 N ATOM 375 CA LEU A 27 5.535 -0.146 -5.462 1.00 0.00 C ATOM 376 C LEU A 27 5.593 -1.039 -4.227 1.00 0.00 C ATOM 377 O LEU A 27 5.836 -2.242 -4.329 1.00 0.00 O ATOM 378 CB LEU A 27 6.713 0.830 -5.456 1.00 0.00 C ATOM 379 CG LEU A 27 7.272 1.217 -6.825 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.472 2.138 -6.672 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.649 -0.026 -7.619 1.00 0.00 C ATOM 0 H LEU A 27 4.372 1.599 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 27 5.599 -0.778 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.402 1.740 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.519 0.391 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 27 6.497 1.753 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.856 2.402 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.171 3.043 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.251 1.629 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.045 0.269 -8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.407 -0.590 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.766 -0.649 -7.761 1.00 0.00 H new ATOM 393 N TRP A 28 5.366 -0.443 -3.062 1.00 0.00 N ATOM 394 CA TRP A 28 5.390 -1.185 -1.806 1.00 0.00 C ATOM 395 C TRP A 28 4.382 -2.329 -1.831 1.00 0.00 C ATOM 396 O TRP A 28 4.666 -3.430 -1.356 1.00 0.00 O ATOM 397 CB TRP A 28 5.093 -0.251 -0.632 1.00 0.00 C ATOM 398 CG TRP A 28 4.666 -0.975 0.609 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.479 -1.566 1.533 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.323 -1.185 1.059 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.722 -2.131 2.532 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.397 -1.910 2.265 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.066 -0.828 0.564 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.262 -2.286 2.978 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.940 -1.202 1.272 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.044 -1.924 2.469 1.00 0.00 C ATOM 0 H TRP A 28 5.163 0.551 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 28 6.387 -1.607 -1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.983 0.339 -0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.310 0.449 -0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.558 -1.587 1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.088 -2.633 3.341 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.976 -0.269 -0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.340 -2.843 3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.037 -0.934 0.897 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.145 -2.200 3.000 1.00 0.00 H new ATOM 417 N LEU A 29 3.205 -2.062 -2.386 1.00 0.00 N ATOM 418 CA LEU A 29 2.154 -3.070 -2.472 1.00 0.00 C ATOM 419 C LEU A 29 2.469 -4.093 -3.558 1.00 0.00 C ATOM 420 O LEU A 29 2.019 -5.237 -3.495 1.00 0.00 O ATOM 421 CB LEU A 29 0.806 -2.406 -2.756 1.00 0.00 C ATOM 422 CG LEU A 29 -0.324 -3.340 -3.192 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.984 -3.982 -1.981 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.350 -2.584 -4.023 1.00 0.00 C ATOM 0 H LEU A 29 2.954 -1.156 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 29 2.102 -3.588 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.487 -1.878 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.950 -1.655 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 29 0.102 -4.131 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.785 -4.643 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.244 -4.558 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.396 -3.205 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.147 -3.264 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.771 -1.772 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.868 -2.173 -4.910 1.00 0.00 H new ATOM 436 N GLU A 30 3.245 -3.673 -4.553 1.00 0.00 N ATOM 437 CA GLU A 30 3.620 -4.555 -5.652 1.00 0.00 C ATOM 438 C GLU A 30 4.748 -5.494 -5.235 1.00 0.00 C ATOM 439 O GLU A 30 5.333 -6.185 -6.069 1.00 0.00 O ATOM 440 CB GLU A 30 4.050 -3.733 -6.870 1.00 0.00 C ATOM 441 CG GLU A 30 2.898 -3.355 -7.786 1.00 0.00 C ATOM 442 CD GLU A 30 3.368 -2.833 -9.129 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.006 -1.760 -9.158 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.098 -3.497 -10.152 1.00 0.00 O ATOM 0 H GLU A 30 3.625 -2.729 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 30 2.749 -5.155 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.545 -2.824 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.785 -4.301 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.262 -4.226 -7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.286 -2.596 -7.299 1.00 0.00 H new ATOM 451 N GLN A 31 5.047 -5.512 -3.940 1.00 0.00 N ATOM 452 CA GLN A 31 6.106 -6.366 -3.413 1.00 0.00 C ATOM 453 C GLN A 31 5.534 -7.429 -2.481 1.00 0.00 C ATOM 454 O GLN A 31 6.098 -8.515 -2.342 1.00 0.00 O ATOM 455 CB GLN A 31 7.145 -5.525 -2.671 1.00 0.00 C ATOM 456 CG GLN A 31 8.031 -4.701 -3.591 1.00 0.00 C ATOM 457 CD GLN A 31 8.818 -3.639 -2.847 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.247 -2.445 -2.740 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 9.927 -3.889 -2.374 1.00 0.00 N flip ATOM 0 H GLN A 31 4.572 -4.946 -3.237 1.00 0.00 H new ATOM 0 HA GLN A 31 6.587 -6.867 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.632 -4.856 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.772 -6.184 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.723 -5.363 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.414 -4.224 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.328 -4.821 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.444 -3.164 -1.876 1.00 0.00 H new ATOM 468 N LEU A 32 4.413 -7.109 -1.845 1.00 0.00 N ATOM 469 CA LEU A 32 3.765 -8.037 -0.924 1.00 0.00 C ATOM 470 C LEU A 32 3.348 -9.316 -1.644 1.00 0.00 C ATOM 471 O LEU A 32 3.202 -10.369 -1.025 1.00 0.00 O ATOM 472 CB LEU A 32 2.542 -7.379 -0.282 1.00 0.00 C ATOM 473 CG LEU A 32 2.686 -5.899 0.073 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.448 -5.402 0.803 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.932 -5.672 0.918 1.00 0.00 C ATOM 0 H LEU A 32 3.934 -6.215 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 32 4.482 -8.297 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.697 -7.489 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.294 -7.928 0.627 1.00 0.00 H new ATOM 0 HG LEU A 32 2.790 -5.332 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.569 -4.347 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.574 -5.529 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.313 -5.974 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.019 -4.613 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.858 -6.251 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.813 -5.989 0.360 1.00 0.00 H new ATOM 487 N GLY A 33 3.160 -9.216 -2.957 1.00 0.00 N ATOM 488 CA GLY A 33 2.765 -10.372 -3.740 1.00 0.00 C ATOM 489 C GLY A 33 2.479 -10.022 -5.186 1.00 0.00 C ATOM 490 O GLY A 33 2.342 -8.854 -5.550 1.00 0.00 O ATOM 0 H GLY A 33 3.274 -8.355 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.556 -11.121 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.877 -10.822 -3.296 1.00 0.00 H new ATOM 494 N PRO A 34 2.386 -11.052 -6.041 1.00 0.00 N ATOM 495 CA PRO A 34 2.115 -10.873 -7.470 1.00 0.00 C ATOM 496 C PRO A 34 0.690 -10.397 -7.735 1.00 0.00 C ATOM 497 O PRO A 34 0.415 -9.771 -8.759 1.00 0.00 O ATOM 498 CB PRO A 34 2.327 -12.273 -8.050 1.00 0.00 C ATOM 499 CG PRO A 34 2.075 -13.198 -6.910 1.00 0.00 C ATOM 500 CD PRO A 34 2.537 -12.471 -5.677 1.00 0.00 C ATOM 0 HA PRO A 34 2.756 -10.111 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.643 -12.467 -8.876 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.338 -12.391 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.017 -13.452 -6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.620 -14.133 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.932 -12.729 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.570 -12.715 -5.430 1.00 0.00 H new ATOM 508 N TRP A 35 -0.211 -10.698 -6.807 1.00 0.00 N ATOM 509 CA TRP A 35 -1.608 -10.300 -6.941 1.00 0.00 C ATOM 510 C TRP A 35 -1.755 -8.786 -6.831 1.00 0.00 C ATOM 511 O TRP A 35 -2.782 -8.225 -7.211 1.00 0.00 O ATOM 512 CB TRP A 35 -2.459 -10.986 -5.872 1.00 0.00 C ATOM 513 CG TRP A 35 -1.876 -10.890 -4.495 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.322 -11.904 -3.767 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.791 -9.715 -3.681 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.898 -11.430 -2.549 1.00 0.00 N ATOM 517 CE2 TRP A 35 -1.173 -10.090 -2.472 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.175 -8.383 -3.856 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.933 -9.180 -1.446 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.936 -7.481 -2.836 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.319 -7.883 -1.644 1.00 0.00 C ATOM 0 H TRP A 35 0.000 -11.216 -5.954 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.956 -10.610 -7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.454 -10.541 -5.869 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.581 -12.037 -6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.231 -12.927 -4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.451 -11.986 -1.820 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.650 -8.064 -4.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.459 -9.488 -0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.230 -6.449 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.145 -7.154 -0.866 1.00 0.00 H new ATOM 532 N ALA A 36 -0.723 -8.131 -6.311 1.00 0.00 N ATOM 533 CA ALA A 36 -0.738 -6.682 -6.154 1.00 0.00 C ATOM 534 C ALA A 36 -0.904 -5.986 -7.501 1.00 0.00 C ATOM 535 O ALA A 36 -1.387 -4.856 -7.570 1.00 0.00 O ATOM 536 CB ALA A 36 0.537 -6.212 -5.468 1.00 0.00 C ATOM 0 H ALA A 36 0.135 -8.581 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.592 -6.417 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.512 -5.128 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.613 -6.676 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.400 -6.496 -6.070 1.00 0.00 H new ATOM 542 N SER A 37 -0.500 -6.668 -8.568 1.00 0.00 N ATOM 543 CA SER A 37 -0.600 -6.112 -9.912 1.00 0.00 C ATOM 544 C SER A 37 -2.054 -6.056 -10.370 1.00 0.00 C ATOM 545 O SER A 37 -2.382 -5.393 -11.355 1.00 0.00 O ATOM 546 CB SER A 37 0.223 -6.948 -10.895 1.00 0.00 C ATOM 547 OG SER A 37 0.629 -6.172 -12.009 1.00 0.00 O ATOM 0 H SER A 37 -0.101 -7.606 -8.528 1.00 0.00 H new ATOM 0 HA SER A 37 -0.205 -5.097 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.101 -7.351 -10.389 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.367 -7.799 -11.236 1.00 0.00 H new ATOM 0 HG SER A 37 1.154 -6.728 -12.621 1.00 0.00 H new ATOM 553 N LEU A 38 -2.923 -6.756 -9.648 1.00 0.00 N ATOM 554 CA LEU A 38 -4.343 -6.786 -9.978 1.00 0.00 C ATOM 555 C LEU A 38 -5.073 -5.601 -9.355 1.00 0.00 C ATOM 556 O LEU A 38 -6.205 -5.291 -9.726 1.00 0.00 O ATOM 557 CB LEU A 38 -4.970 -8.096 -9.497 1.00 0.00 C ATOM 558 CG LEU A 38 -4.282 -9.380 -9.962 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.497 -10.496 -8.952 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.795 -9.794 -11.334 1.00 0.00 C ATOM 0 H LEU A 38 -2.668 -7.310 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.440 -6.719 -11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.985 -8.090 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.008 -8.123 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.212 -9.188 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.000 -11.402 -9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.080 -10.200 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.565 -10.687 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.294 -10.710 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.870 -9.967 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.589 -9.002 -12.054 1.00 0.00 H new ATOM 572 N TYR A 39 -4.416 -4.941 -8.408 1.00 0.00 N ATOM 573 CA TYR A 39 -5.003 -3.789 -7.733 1.00 0.00 C ATOM 574 C TYR A 39 -4.265 -2.506 -8.104 1.00 0.00 C ATOM 575 O TYR A 39 -4.846 -1.421 -8.108 1.00 0.00 O ATOM 576 CB TYR A 39 -4.970 -3.989 -6.216 1.00 0.00 C ATOM 577 CG TYR A 39 -5.587 -5.293 -5.764 1.00 0.00 C ATOM 578 CD1 TYR A 39 -4.916 -6.498 -5.936 1.00 0.00 C ATOM 579 CD2 TYR A 39 -6.841 -5.321 -5.166 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.476 -7.692 -5.525 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.408 -6.510 -4.751 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.722 -7.693 -4.933 1.00 0.00 C ATOM 583 OH TYR A 39 -7.284 -8.880 -4.522 1.00 0.00 O ATOM 0 H TYR A 39 -3.478 -5.183 -8.090 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.039 -3.698 -8.059 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.935 -3.949 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.496 -3.163 -5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.940 -6.501 -6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.382 -4.397 -5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.941 -8.620 -5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.383 -6.514 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.163 -8.706 -4.125 1.00 0.00 H new ATOM 593 N ARG A 40 -2.980 -2.640 -8.415 1.00 0.00 N ATOM 594 CA ARG A 40 -2.161 -1.492 -8.788 1.00 0.00 C ATOM 595 C ARG A 40 -2.979 -0.472 -9.574 1.00 0.00 C ATOM 596 O ARG A 40 -2.960 0.720 -9.270 1.00 0.00 O ATOM 597 CB ARG A 40 -0.958 -1.945 -9.617 1.00 0.00 C ATOM 598 CG ARG A 40 -1.311 -2.326 -11.045 1.00 0.00 C ATOM 599 CD ARG A 40 -0.138 -2.988 -11.751 1.00 0.00 C ATOM 600 NE ARG A 40 -0.149 -2.731 -13.189 1.00 0.00 N ATOM 601 CZ ARG A 40 0.878 -2.992 -13.990 1.00 0.00 C ATOM 602 NH1 ARG A 40 1.992 -3.515 -13.496 1.00 0.00 N ATOM 603 NH2 ARG A 40 0.792 -2.730 -15.288 1.00 0.00 N ATOM 0 H ARG A 40 -2.484 -3.531 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.806 -1.019 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.218 -1.145 -9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.491 -2.799 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.165 -3.004 -11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.613 -1.436 -11.596 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.796 -2.621 -11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.169 -4.063 -11.575 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.991 -2.329 -13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.062 -3.718 -12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.779 -3.714 -14.113 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.063 -2.328 -15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.581 -2.931 -15.902 1.00 0.00 H new ATOM 617 N ASP A 41 -3.695 -0.950 -10.586 1.00 0.00 N ATOM 618 CA ASP A 41 -4.521 -0.080 -11.416 1.00 0.00 C ATOM 619 C ASP A 41 -5.468 0.752 -10.557 1.00 0.00 C ATOM 620 O ASP A 41 -5.630 1.952 -10.778 1.00 0.00 O ATOM 621 CB ASP A 41 -5.320 -0.909 -12.422 1.00 0.00 C ATOM 622 CG ASP A 41 -5.597 -0.151 -13.706 1.00 0.00 C ATOM 623 OD1 ASP A 41 -6.614 0.572 -13.760 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.797 -0.280 -14.655 1.00 0.00 O ATOM 0 H ASP A 41 -3.720 -1.935 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.861 0.598 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.771 -1.822 -12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.265 -1.211 -11.971 1.00 0.00 H new ATOM 629 N ARG A 42 -6.092 0.105 -9.577 1.00 0.00 N ATOM 630 CA ARG A 42 -7.025 0.785 -8.686 1.00 0.00 C ATOM 631 C ARG A 42 -6.314 1.867 -7.878 1.00 0.00 C ATOM 632 O ARG A 42 -6.910 2.886 -7.528 1.00 0.00 O ATOM 633 CB ARG A 42 -7.686 -0.221 -7.742 1.00 0.00 C ATOM 634 CG ARG A 42 -8.289 -1.420 -8.455 1.00 0.00 C ATOM 635 CD ARG A 42 -9.474 -1.986 -7.688 1.00 0.00 C ATOM 636 NE ARG A 42 -10.733 -1.361 -8.084 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.290 -1.524 -9.279 1.00 0.00 C ATOM 638 NH1 ARG A 42 -10.703 -2.289 -10.189 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.437 -0.922 -9.565 1.00 0.00 N ATOM 0 H ARG A 42 -5.968 -0.888 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.793 1.258 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.946 -0.571 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.468 0.285 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.608 -1.127 -9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.530 -2.193 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.535 -3.061 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.317 -1.839 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.211 -0.767 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.821 -2.754 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.133 -2.412 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.892 -0.333 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.864 -1.048 -10.483 1.00 0.00 H new ATOM 653 N PHE A 43 -5.039 1.638 -7.585 1.00 0.00 N ATOM 654 CA PHE A 43 -4.248 2.592 -6.816 1.00 0.00 C ATOM 655 C PHE A 43 -3.962 3.846 -7.636 1.00 0.00 C ATOM 656 O PHE A 43 -4.282 4.961 -7.219 1.00 0.00 O ATOM 657 CB PHE A 43 -2.932 1.951 -6.368 1.00 0.00 C ATOM 658 CG PHE A 43 -3.083 1.036 -5.187 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.831 -0.126 -5.285 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.476 1.337 -3.978 1.00 0.00 C ATOM 661 CE1 PHE A 43 -3.972 -0.969 -4.199 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.613 0.497 -2.889 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.361 -0.658 -3.000 1.00 0.00 C ATOM 0 H PHE A 43 -4.531 0.800 -7.868 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.824 2.878 -5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.509 1.390 -7.201 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.220 2.738 -6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.309 -0.376 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.889 2.239 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.560 -1.871 -4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.135 0.744 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.468 -1.317 -2.151 1.00 0.00 H new ATOM 673 N LEU A 44 -3.358 3.658 -8.804 1.00 0.00 N ATOM 674 CA LEU A 44 -3.029 4.774 -9.684 1.00 0.00 C ATOM 675 C LEU A 44 -4.284 5.543 -10.082 1.00 0.00 C ATOM 676 O LEU A 44 -4.372 6.754 -9.883 1.00 0.00 O ATOM 677 CB LEU A 44 -2.308 4.267 -10.935 1.00 0.00 C ATOM 678 CG LEU A 44 -0.877 3.769 -10.729 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.071 4.777 -9.925 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.878 2.412 -10.041 1.00 0.00 C ATOM 0 H LEU A 44 -3.086 2.743 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.369 5.450 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.895 3.456 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.289 5.071 -11.670 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.408 3.657 -11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.944 4.405 -9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.041 5.727 -10.458 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.538 4.922 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.149 2.073 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.366 2.497 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.418 1.692 -10.657 1.00 0.00 H new ATOM 692 N SER A 45 -5.255 4.830 -10.645 1.00 0.00 N ATOM 693 CA SER A 45 -6.506 5.445 -11.073 1.00 0.00 C ATOM 694 C SER A 45 -7.108 6.287 -9.953 1.00 0.00 C ATOM 695 O SER A 45 -7.430 7.459 -10.148 1.00 0.00 O ATOM 696 CB SER A 45 -7.503 4.371 -11.512 1.00 0.00 C ATOM 697 OG SER A 45 -8.417 4.883 -12.466 1.00 0.00 O ATOM 0 H SER A 45 -5.199 3.826 -10.815 1.00 0.00 H new ATOM 0 HA SER A 45 -6.291 6.098 -11.919 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.965 3.523 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.048 4.000 -10.644 1.00 0.00 H new ATOM 0 HG SER A 45 -9.042 4.177 -12.732 1.00 0.00 H new ATOM 703 N GLU A 46 -7.256 5.681 -8.779 1.00 0.00 N ATOM 704 CA GLU A 46 -7.821 6.374 -7.627 1.00 0.00 C ATOM 705 C GLU A 46 -6.793 7.312 -7.000 1.00 0.00 C ATOM 706 O GLU A 46 -7.026 7.880 -5.933 1.00 0.00 O ATOM 707 CB GLU A 46 -8.310 5.366 -6.586 1.00 0.00 C ATOM 708 CG GLU A 46 -9.541 4.588 -7.023 1.00 0.00 C ATOM 709 CD GLU A 46 -10.758 5.475 -7.203 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.417 5.791 -6.191 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.050 5.853 -8.357 1.00 0.00 O ATOM 0 H GLU A 46 -6.993 4.712 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.668 6.968 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.506 4.664 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.534 5.894 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.328 4.075 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.762 3.820 -6.282 1.00 0.00 H new ATOM 718 N ARG A 47 -5.656 7.468 -7.669 1.00 0.00 N ATOM 719 CA ARG A 47 -4.592 8.334 -7.177 1.00 0.00 C ATOM 720 C ARG A 47 -4.325 8.079 -5.697 1.00 0.00 C ATOM 721 O ARG A 47 -4.002 9.000 -4.946 1.00 0.00 O ATOM 722 CB ARG A 47 -4.960 9.803 -7.394 1.00 0.00 C ATOM 723 CG ARG A 47 -5.029 10.204 -8.859 1.00 0.00 C ATOM 724 CD ARG A 47 -3.644 10.277 -9.483 1.00 0.00 C ATOM 725 NE ARG A 47 -2.953 11.516 -9.138 1.00 0.00 N ATOM 726 CZ ARG A 47 -1.776 11.866 -9.643 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.161 11.075 -10.512 1.00 0.00 N ATOM 728 NH2 ARG A 47 -1.210 13.010 -9.280 1.00 0.00 N ATOM 0 H ARG A 47 -5.448 7.006 -8.554 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.685 8.107 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.925 10.000 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.227 10.431 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.638 9.484 -9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.521 11.172 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.051 9.426 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.730 10.200 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.399 12.147 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.592 10.195 -10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.257 11.347 -10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.679 13.622 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.306 13.278 -9.669 1.00 0.00 H new ATOM 742 N VAL A 48 -4.462 6.823 -5.283 1.00 0.00 N ATOM 743 CA VAL A 48 -4.234 6.447 -3.893 1.00 0.00 C ATOM 744 C VAL A 48 -2.802 6.750 -3.469 1.00 0.00 C ATOM 745 O VAL A 48 -1.885 5.979 -3.749 1.00 0.00 O ATOM 746 CB VAL A 48 -4.521 4.951 -3.663 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.161 4.551 -2.240 1.00 0.00 C ATOM 748 CG2 VAL A 48 -5.979 4.637 -3.961 1.00 0.00 C ATOM 0 H VAL A 48 -4.730 6.049 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.921 7.039 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.901 4.370 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.370 3.491 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.101 4.738 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.753 5.137 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.164 3.576 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.620 5.225 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.200 4.884 -4.999 1.00 0.00 H new ATOM 758 N ASN A 49 -2.617 7.878 -2.791 1.00 0.00 N ATOM 759 CA ASN A 49 -1.295 8.283 -2.328 1.00 0.00 C ATOM 760 C ASN A 49 -1.020 7.743 -0.928 1.00 0.00 C ATOM 761 O ASN A 49 -1.945 7.424 -0.181 1.00 0.00 O ATOM 762 CB ASN A 49 -1.177 9.809 -2.330 1.00 0.00 C ATOM 763 CG ASN A 49 -1.871 10.445 -1.142 1.00 0.00 C ATOM 764 OD1 ASN A 49 -2.743 9.837 -0.520 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.487 11.675 -0.821 1.00 0.00 N ATOM 0 H ASN A 49 -3.366 8.528 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.555 7.866 -3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.124 10.089 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.606 10.202 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.919 12.154 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.760 12.141 -1.365 1.00 0.00 H new ATOM 772 N GLY A 50 0.259 7.643 -0.578 1.00 0.00 N ATOM 773 CA GLY A 50 0.633 7.142 0.732 1.00 0.00 C ATOM 774 C GLY A 50 -0.358 7.537 1.808 1.00 0.00 C ATOM 775 O GLY A 50 -1.013 6.681 2.403 1.00 0.00 O ATOM 0 H GLY A 50 1.043 7.900 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.709 6.055 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.620 7.522 0.995 1.00 0.00 H new ATOM 779 N ARG A 51 -0.467 8.838 2.062 1.00 0.00 N ATOM 780 CA ARG A 51 -1.383 9.344 3.077 1.00 0.00 C ATOM 781 C ARG A 51 -2.720 8.612 3.016 1.00 0.00 C ATOM 782 O ARG A 51 -3.233 8.148 4.036 1.00 0.00 O ATOM 783 CB ARG A 51 -1.603 10.847 2.891 1.00 0.00 C ATOM 784 CG ARG A 51 -1.961 11.573 4.177 1.00 0.00 C ATOM 785 CD ARG A 51 -3.403 11.311 4.583 1.00 0.00 C ATOM 786 NE ARG A 51 -3.763 12.014 5.811 1.00 0.00 N ATOM 787 CZ ARG A 51 -4.085 13.302 5.853 1.00 0.00 C ATOM 788 NH1 ARG A 51 -4.092 14.024 4.740 1.00 0.00 N ATOM 789 NH2 ARG A 51 -4.401 13.871 7.009 1.00 0.00 N ATOM 0 H ARG A 51 0.068 9.560 1.579 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.936 9.167 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.698 11.289 2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.399 11.002 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.293 11.251 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.808 12.644 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.068 11.623 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.552 10.240 4.722 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.767 11.487 6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.850 13.590 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.340 15.013 4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.397 13.319 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.648 14.860 7.040 1.00 0.00 H new ATOM 803 N LEU A 52 -3.280 8.512 1.816 1.00 0.00 N ATOM 804 CA LEU A 52 -4.559 7.837 1.621 1.00 0.00 C ATOM 805 C LEU A 52 -4.462 6.365 2.013 1.00 0.00 C ATOM 806 O LEU A 52 -5.297 5.855 2.761 1.00 0.00 O ATOM 807 CB LEU A 52 -5.007 7.960 0.164 1.00 0.00 C ATOM 808 CG LEU A 52 -6.439 7.516 -0.138 1.00 0.00 C ATOM 809 CD1 LEU A 52 -6.536 5.998 -0.146 1.00 0.00 C ATOM 810 CD2 LEU A 52 -7.406 8.109 0.877 1.00 0.00 C ATOM 0 H LEU A 52 -2.869 8.890 0.963 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.297 8.318 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.898 9.001 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.328 7.373 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.712 7.882 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.562 5.700 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.872 5.595 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.244 5.610 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.420 7.783 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.135 7.773 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.356 9.197 0.834 1.00 0.00 H new ATOM 822 N LEU A 53 -3.438 5.689 1.504 1.00 0.00 N ATOM 823 CA LEU A 53 -3.231 4.276 1.802 1.00 0.00 C ATOM 824 C LEU A 53 -3.292 4.022 3.305 1.00 0.00 C ATOM 825 O LEU A 53 -3.893 3.046 3.756 1.00 0.00 O ATOM 826 CB LEU A 53 -1.882 3.811 1.249 1.00 0.00 C ATOM 827 CG LEU A 53 -1.743 2.309 0.997 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.308 1.960 0.634 1.00 0.00 C ATOM 829 CD2 LEU A 53 -2.193 1.519 2.217 1.00 0.00 C ATOM 0 H LEU A 53 -2.738 6.096 0.883 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.029 3.708 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.696 4.335 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.101 4.116 1.946 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.385 2.040 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.228 0.887 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.020 2.498 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.354 2.244 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.087 0.452 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.578 1.792 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.237 1.746 2.433 1.00 0.00 H new ATOM 841 N LEU A 54 -2.670 4.907 4.075 1.00 0.00 N ATOM 842 CA LEU A 54 -2.655 4.780 5.528 1.00 0.00 C ATOM 843 C LEU A 54 -4.069 4.863 6.096 1.00 0.00 C ATOM 844 O LEU A 54 -4.521 3.959 6.800 1.00 0.00 O ATOM 845 CB LEU A 54 -1.781 5.872 6.147 1.00 0.00 C ATOM 846 CG LEU A 54 -0.276 5.601 6.158 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.476 6.784 6.747 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.031 4.330 6.937 1.00 0.00 C ATOM 0 H LEU A 54 -2.169 5.721 3.718 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.238 3.804 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.959 6.802 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.109 6.033 7.174 1.00 0.00 H new ATOM 0 HG LEU A 54 0.056 5.462 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.545 6.572 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.282 7.673 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.141 6.955 7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.106 4.153 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.316 4.440 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.477 3.486 6.471 1.00 0.00 H new ATOM 860 N THR A 55 -4.764 5.952 5.784 1.00 0.00 N ATOM 861 CA THR A 55 -6.126 6.153 6.262 1.00 0.00 C ATOM 862 C THR A 55 -6.976 4.907 6.039 1.00 0.00 C ATOM 863 O THR A 55 -7.848 4.585 6.847 1.00 0.00 O ATOM 864 CB THR A 55 -6.797 7.350 5.562 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.962 7.072 4.167 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.968 8.613 5.737 1.00 0.00 C ATOM 0 H THR A 55 -4.406 6.709 5.202 1.00 0.00 H new ATOM 0 HA THR A 55 -6.059 6.358 7.330 1.00 0.00 H new ATOM 0 HB THR A 55 -7.774 7.509 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.092 6.854 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.462 9.445 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.868 8.838 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.979 8.462 5.304 1.00 0.00 H new ATOM 874 N LEU A 56 -6.716 4.209 4.938 1.00 0.00 N ATOM 875 CA LEU A 56 -7.458 2.996 4.609 1.00 0.00 C ATOM 876 C LEU A 56 -7.302 1.948 5.706 1.00 0.00 C ATOM 877 O LEU A 56 -6.203 1.721 6.213 1.00 0.00 O ATOM 878 CB LEU A 56 -6.976 2.428 3.273 1.00 0.00 C ATOM 879 CG LEU A 56 -7.197 3.316 2.048 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.369 2.819 0.873 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.673 3.361 1.681 1.00 0.00 C ATOM 0 H LEU A 56 -5.998 4.462 4.259 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.514 3.255 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.910 2.215 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.479 1.476 3.103 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.873 4.328 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.539 3.463 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.312 2.839 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.662 1.798 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.811 3.998 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.023 2.354 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.244 3.764 2.518 1.00 0.00 H new ATOM 893 N THR A 57 -8.410 1.309 6.069 1.00 0.00 N ATOM 894 CA THR A 57 -8.397 0.284 7.104 1.00 0.00 C ATOM 895 C THR A 57 -9.074 -0.994 6.622 1.00 0.00 C ATOM 896 O THR A 57 -9.696 -1.014 5.561 1.00 0.00 O ATOM 897 CB THR A 57 -9.099 0.771 8.386 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.514 0.837 8.174 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.579 2.139 8.801 1.00 0.00 C ATOM 0 H THR A 57 -9.328 1.484 5.661 1.00 0.00 H new ATOM 0 HA THR A 57 -7.351 0.075 7.328 1.00 0.00 H new ATOM 0 HB THR A 57 -8.884 0.061 9.184 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.802 1.774 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.089 2.462 9.708 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.507 2.079 8.989 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.768 2.857 8.003 1.00 0.00 H new ATOM 907 N GLU A 58 -8.950 -2.058 7.409 1.00 0.00 N ATOM 908 CA GLU A 58 -9.551 -3.340 7.061 1.00 0.00 C ATOM 909 C GLU A 58 -10.977 -3.152 6.553 1.00 0.00 C ATOM 910 O GLU A 58 -11.487 -3.969 5.787 1.00 0.00 O ATOM 911 CB GLU A 58 -9.547 -4.276 8.271 1.00 0.00 C ATOM 912 CG GLU A 58 -9.612 -5.748 7.902 1.00 0.00 C ATOM 913 CD GLU A 58 -9.356 -6.659 9.087 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.285 -6.852 9.898 1.00 0.00 O ATOM 915 OE2 GLU A 58 -8.226 -7.177 9.204 1.00 0.00 O ATOM 0 H GLU A 58 -8.439 -2.057 8.292 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.956 -3.787 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.645 -4.096 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.395 -4.033 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.593 -5.971 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.878 -5.956 7.123 1.00 0.00 H new ATOM 922 N GLU A 59 -11.616 -2.069 6.986 1.00 0.00 N ATOM 923 CA GLU A 59 -12.984 -1.775 6.577 1.00 0.00 C ATOM 924 C GLU A 59 -13.015 -1.174 5.175 1.00 0.00 C ATOM 925 O GLU A 59 -13.549 -1.776 4.243 1.00 0.00 O ATOM 926 CB GLU A 59 -13.641 -0.813 7.570 1.00 0.00 C ATOM 927 CG GLU A 59 -14.606 0.166 6.921 1.00 0.00 C ATOM 928 CD GLU A 59 -15.727 0.584 7.853 1.00 0.00 C ATOM 929 OE1 GLU A 59 -16.179 -0.261 8.654 1.00 0.00 O ATOM 930 OE2 GLU A 59 -16.151 1.756 7.781 1.00 0.00 O ATOM 0 H GLU A 59 -11.208 -1.382 7.620 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.542 -2.711 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.175 -1.391 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.863 -0.253 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.058 1.051 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.032 -0.289 6.027 1.00 0.00 H new ATOM 937 N GLU A 60 -12.439 0.016 5.033 1.00 0.00 N ATOM 938 CA GLU A 60 -12.402 0.698 3.745 1.00 0.00 C ATOM 939 C GLU A 60 -12.030 -0.271 2.627 1.00 0.00 C ATOM 940 O GLU A 60 -12.710 -0.346 1.603 1.00 0.00 O ATOM 941 CB GLU A 60 -11.403 1.856 3.785 1.00 0.00 C ATOM 942 CG GLU A 60 -11.818 2.986 4.712 1.00 0.00 C ATOM 943 CD GLU A 60 -11.331 2.782 6.134 1.00 0.00 C ATOM 944 OE1 GLU A 60 -10.178 3.162 6.426 1.00 0.00 O ATOM 945 OE2 GLU A 60 -12.103 2.242 6.954 1.00 0.00 O ATOM 0 H GLU A 60 -11.992 0.527 5.794 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.398 1.093 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.432 1.476 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.278 2.252 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.426 3.928 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.905 3.070 4.713 1.00 0.00 H new ATOM 952 N PHE A 61 -10.945 -1.012 2.830 1.00 0.00 N ATOM 953 CA PHE A 61 -10.481 -1.976 1.839 1.00 0.00 C ATOM 954 C PHE A 61 -11.588 -2.961 1.478 1.00 0.00 C ATOM 955 O PHE A 61 -11.682 -3.414 0.337 1.00 0.00 O ATOM 956 CB PHE A 61 -9.261 -2.734 2.367 1.00 0.00 C ATOM 957 CG PHE A 61 -8.019 -1.893 2.441 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.614 -1.135 1.355 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.255 -1.862 3.597 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.471 -0.360 1.420 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.112 -1.089 3.668 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.719 -0.337 2.578 1.00 0.00 C ATOM 0 H PHE A 61 -10.371 -0.963 3.672 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.199 -1.428 0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.487 -3.123 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.071 -3.593 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.198 -1.149 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.557 -2.449 4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.167 0.227 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.526 -1.073 4.575 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.826 0.268 2.631 1.00 0.00 H new ATOM 972 N SER A 62 -12.425 -3.287 2.457 1.00 0.00 N ATOM 973 CA SER A 62 -13.524 -4.222 2.245 1.00 0.00 C ATOM 974 C SER A 62 -14.628 -3.581 1.408 1.00 0.00 C ATOM 975 O SER A 62 -15.436 -4.275 0.791 1.00 0.00 O ATOM 976 CB SER A 62 -14.091 -4.689 3.586 1.00 0.00 C ATOM 977 OG SER A 62 -15.024 -5.741 3.407 1.00 0.00 O ATOM 0 H SER A 62 -12.363 -2.917 3.406 1.00 0.00 H new ATOM 0 HA SER A 62 -13.135 -5.085 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.279 -5.025 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.574 -3.853 4.091 1.00 0.00 H new ATOM 0 HG SER A 62 -15.371 -6.023 4.279 1.00 0.00 H new ATOM 983 N ARG A 63 -14.654 -2.253 1.394 1.00 0.00 N ATOM 984 CA ARG A 63 -15.659 -1.517 0.635 1.00 0.00 C ATOM 985 C ARG A 63 -15.096 -1.055 -0.706 1.00 0.00 C ATOM 986 O ARG A 63 -13.882 -1.018 -0.901 1.00 0.00 O ATOM 987 CB ARG A 63 -16.152 -0.311 1.437 1.00 0.00 C ATOM 988 CG ARG A 63 -16.819 -0.685 2.750 1.00 0.00 C ATOM 989 CD ARG A 63 -17.072 0.540 3.615 1.00 0.00 C ATOM 990 NE ARG A 63 -17.555 0.181 4.945 1.00 0.00 N ATOM 991 CZ ARG A 63 -18.824 -0.109 5.213 1.00 0.00 C ATOM 992 NH1 ARG A 63 -19.731 -0.084 4.247 1.00 0.00 N ATOM 993 NH2 ARG A 63 -19.186 -0.427 6.449 1.00 0.00 N ATOM 0 H ARG A 63 -13.992 -1.664 1.899 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.498 -2.186 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -15.308 0.348 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.858 0.255 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -17.763 -1.191 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.189 -1.390 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -16.151 1.115 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.802 1.184 3.126 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.882 0.151 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.456 0.158 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.704 -0.307 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.490 -0.449 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -20.160 -0.649 6.654 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.988 -0.702 -1.626 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.581 -0.241 -2.947 1.00 0.00 C ATOM 1009 C ALA A 64 -14.824 1.080 -2.858 1.00 0.00 C ATOM 1010 O ALA A 64 -14.899 1.801 -1.863 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.795 -0.096 -3.853 1.00 0.00 C ATOM 0 H ALA A 64 -16.997 -0.727 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.910 -0.986 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.476 0.249 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.293 -1.061 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.487 0.627 -3.421 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.076 1.408 -3.923 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.979 0.558 -5.113 1.00 0.00 C ATOM 1019 C PRO A 65 -13.208 -0.730 -4.844 1.00 0.00 C ATOM 1020 O PRO A 65 -13.626 -1.812 -5.256 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.223 1.435 -6.114 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.436 2.379 -5.272 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.268 2.633 -4.045 1.00 0.00 C ATOM 0 HA PRO A 65 -14.959 0.234 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.572 0.837 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.910 1.969 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.469 1.952 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.238 3.307 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.647 2.794 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.894 3.518 -4.160 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.081 -0.606 -4.152 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.251 -1.760 -3.830 1.00 0.00 C ATOM 1033 C TYR A 66 -12.111 -2.967 -3.471 1.00 0.00 C ATOM 1034 O TYR A 66 -11.817 -4.096 -3.868 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.308 -1.429 -2.671 1.00 0.00 C ATOM 1036 CG TYR A 66 -9.832 0.006 -2.669 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -8.858 0.437 -3.562 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.355 0.930 -1.773 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -8.419 1.747 -3.563 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -9.923 2.243 -1.768 1.00 0.00 C ATOM 1041 CZ TYR A 66 -8.955 2.646 -2.664 1.00 0.00 C ATOM 1042 OH TYR A 66 -8.522 3.952 -2.662 1.00 0.00 O ATOM 0 H TYR A 66 -11.721 0.283 -3.803 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.660 -2.007 -4.712 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.817 -1.636 -1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.443 -2.090 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.437 -0.264 -4.267 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.112 0.617 -1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.661 2.065 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.341 2.949 -1.066 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.000 4.454 -1.969 1.00 0.00 H new ATOM 1052 N THR A 67 -13.179 -2.722 -2.717 1.00 0.00 N ATOM 1053 CA THR A 67 -14.083 -3.787 -2.303 1.00 0.00 C ATOM 1054 C THR A 67 -13.319 -5.070 -1.998 1.00 0.00 C ATOM 1055 O THR A 67 -13.854 -6.170 -2.137 1.00 0.00 O ATOM 1056 CB THR A 67 -15.141 -4.078 -3.385 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.185 -4.894 -2.843 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.513 -4.777 -4.581 1.00 0.00 C ATOM 0 H THR A 67 -13.438 -1.795 -2.381 1.00 0.00 H new ATOM 0 HA THR A 67 -14.584 -3.442 -1.398 1.00 0.00 H new ATOM 0 HB THR A 67 -15.559 -3.128 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.793 -5.673 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.279 -4.972 -5.332 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.739 -4.140 -5.009 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.071 -5.720 -4.260 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.066 -4.922 -1.581 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.229 -6.070 -1.254 1.00 0.00 C ATOM 1068 C ILE A 68 -12.020 -7.126 -0.489 1.00 0.00 C ATOM 1069 O ILE A 68 -12.337 -6.946 0.686 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.005 -5.654 -0.417 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.126 -4.682 -1.207 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.207 -6.880 -0.001 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.010 -4.075 -0.387 1.00 0.00 C ATOM 0 H ILE A 68 -11.608 -4.018 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.886 -6.491 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.354 -5.149 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.696 -5.206 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.750 -3.882 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.345 -6.570 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.838 -7.539 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.866 -7.411 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.428 -3.397 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.434 -3.523 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.363 -4.867 -0.010 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.331 -8.228 -1.163 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.084 -9.314 -0.546 1.00 0.00 C ATOM 1087 C GLU A 69 -12.154 -10.446 -0.118 1.00 0.00 C ATOM 1088 O GLU A 69 -12.482 -11.230 0.770 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.142 -9.846 -1.514 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.041 -8.765 -2.089 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.405 -9.291 -2.488 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.480 -10.073 -3.459 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.399 -8.922 -1.828 1.00 0.00 O ATOM 0 H GLU A 69 -12.073 -8.393 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.580 -8.920 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.644 -10.366 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.758 -10.582 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.163 -7.970 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.558 -8.321 -2.960 1.00 0.00 H new ATOM 1100 N ASN A 70 -10.992 -10.523 -0.759 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.014 -11.559 -0.446 1.00 0.00 C ATOM 1102 C ASN A 70 -9.253 -11.221 0.832 1.00 0.00 C ATOM 1103 O ASN A 70 -8.258 -10.497 0.802 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.032 -11.729 -1.607 1.00 0.00 C ATOM 1105 CG ASN A 70 -9.490 -12.778 -2.603 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -10.684 -12.922 -2.863 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -8.539 -13.515 -3.164 1.00 0.00 N ATOM 0 H ASN A 70 -10.705 -9.881 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.550 -12.495 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.910 -10.774 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.054 -12.007 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.786 -14.236 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.561 -13.360 -2.918 1.00 0.00 H new ATOM 1114 N SER A 71 -9.729 -11.751 1.955 1.00 0.00 N ATOM 1115 CA SER A 71 -9.096 -11.504 3.245 1.00 0.00 C ATOM 1116 C SER A 71 -7.583 -11.381 3.093 1.00 0.00 C ATOM 1117 O SER A 71 -6.990 -10.371 3.472 1.00 0.00 O ATOM 1118 CB SER A 71 -9.432 -12.629 4.225 1.00 0.00 C ATOM 1119 OG SER A 71 -10.658 -12.378 4.889 1.00 0.00 O ATOM 0 H SER A 71 -10.551 -12.354 1.997 1.00 0.00 H new ATOM 0 HA SER A 71 -9.482 -10.563 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.492 -13.576 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.631 -12.728 4.958 1.00 0.00 H new ATOM 0 HG SER A 71 -10.851 -13.112 5.508 1.00 0.00 H new ATOM 1125 N SER A 72 -6.964 -12.417 2.535 1.00 0.00 N ATOM 1126 CA SER A 72 -5.520 -12.428 2.336 1.00 0.00 C ATOM 1127 C SER A 72 -5.012 -11.038 1.964 1.00 0.00 C ATOM 1128 O SER A 72 -4.063 -10.530 2.562 1.00 0.00 O ATOM 1129 CB SER A 72 -5.142 -13.431 1.244 1.00 0.00 C ATOM 1130 OG SER A 72 -5.452 -14.756 1.640 1.00 0.00 O ATOM 0 H SER A 72 -7.440 -13.259 2.213 1.00 0.00 H new ATOM 0 HA SER A 72 -5.051 -12.728 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.674 -13.189 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.077 -13.353 1.027 1.00 0.00 H new ATOM 0 HG SER A 72 -5.203 -15.378 0.925 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.651 -10.428 0.971 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.266 -9.096 0.517 1.00 0.00 C ATOM 1138 C HIS A 73 -5.221 -8.117 1.686 1.00 0.00 C ATOM 1139 O HIS A 73 -4.232 -7.409 1.878 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.242 -8.595 -0.547 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.639 -7.602 -1.493 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -5.940 -6.256 -1.464 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.745 -7.764 -2.496 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.260 -5.635 -2.410 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.526 -6.527 -3.051 1.00 0.00 N ATOM 0 H HIS A 73 -6.438 -10.835 0.465 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.269 -9.161 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.615 -9.447 -1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.101 -8.140 -0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.289 -8.693 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.297 -4.577 -2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.899 -6.329 -3.831 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.299 -8.080 2.463 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.384 -7.186 3.611 1.00 0.00 C ATOM 1156 C ARG A 74 -5.302 -7.514 4.636 1.00 0.00 C ATOM 1157 O ARG A 74 -4.583 -6.628 5.099 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.765 -7.285 4.261 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.848 -6.531 3.508 1.00 0.00 C ATOM 1160 CD ARG A 74 -10.080 -6.316 4.373 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.888 -7.527 4.486 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.967 -7.622 5.255 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.366 -6.582 5.975 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.650 -8.758 5.305 1.00 0.00 N ATOM 0 H ARG A 74 -7.126 -8.659 2.318 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.229 -6.166 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.049 -8.335 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.707 -6.900 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.460 -5.567 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.124 -7.086 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.773 -5.991 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.685 -5.515 3.949 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.609 -8.345 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.844 -5.706 5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.195 -6.658 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.347 -9.560 4.753 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.478 -8.829 5.896 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.193 -8.791 4.987 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.201 -9.235 5.958 1.00 0.00 C ATOM 1180 C ARG A 75 -2.796 -8.823 5.528 1.00 0.00 C ATOM 1181 O ARG A 75 -1.978 -8.416 6.352 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.269 -10.754 6.130 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.327 -11.288 7.196 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.933 -11.531 6.638 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.238 -12.600 7.350 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.083 -13.120 6.948 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.502 -12.672 5.846 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.488 -14.091 7.649 1.00 0.00 N ATOM 0 H ARG A 75 -5.780 -9.537 4.613 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.424 -8.758 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.290 -11.037 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.034 -11.230 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.271 -10.579 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.725 -12.218 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.005 -11.787 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.350 -10.612 6.705 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.662 -12.967 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.066 -11.926 5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.388 -13.073 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.040 -14.439 8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.375 -14.490 7.340 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.524 -8.932 4.231 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.219 -8.570 3.691 1.00 0.00 C ATOM 1204 C VAL A 76 -0.993 -7.065 3.763 1.00 0.00 C ATOM 1205 O VAL A 76 -0.083 -6.596 4.447 1.00 0.00 O ATOM 1206 CB VAL A 76 -1.070 -9.031 2.229 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.316 -8.693 1.701 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.345 -10.523 2.110 1.00 0.00 C ATOM 0 H VAL A 76 -3.190 -9.268 3.535 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.472 -9.076 4.302 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.804 -8.500 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.403 -9.026 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.471 -7.615 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.069 -9.195 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.235 -10.831 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.637 -11.074 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.360 -10.734 2.446 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.827 -6.312 3.054 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.718 -4.858 3.039 1.00 0.00 C ATOM 1220 C ILE A 77 -1.621 -4.300 4.454 1.00 0.00 C ATOM 1221 O ILE A 77 -0.631 -3.661 4.816 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.919 -4.211 2.325 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.869 -4.507 0.824 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.938 -2.711 2.574 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -4.120 -4.090 0.084 1.00 0.00 C ATOM 0 H ILE A 77 -2.585 -6.684 2.483 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.807 -4.615 2.492 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.836 -4.638 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.011 -3.994 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.709 -5.575 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.793 -2.268 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.017 -2.521 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.018 -2.267 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.014 -4.330 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.979 -4.622 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.270 -3.017 0.199 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.654 -4.545 5.253 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.685 -4.069 6.632 1.00 0.00 C ATOM 1239 C LEU A 78 -1.396 -4.430 7.362 1.00 0.00 C ATOM 1240 O LEU A 78 -0.633 -3.553 7.770 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.886 -4.662 7.370 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.229 -3.972 7.131 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.378 -4.881 7.539 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.294 -2.654 7.890 1.00 0.00 C ATOM 0 H LEU A 78 -3.481 -5.070 4.970 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.778 -2.983 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.982 -5.709 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.676 -4.643 8.439 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.322 -3.761 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.325 -4.372 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.343 -5.798 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.290 -5.125 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.257 -2.177 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.178 -2.843 8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.493 -1.998 7.549 1.00 0.00 H new ATOM 1256 N THR A 79 -1.156 -5.728 7.522 1.00 0.00 N ATOM 1257 CA THR A 79 0.042 -6.205 8.202 1.00 0.00 C ATOM 1258 C THR A 79 1.281 -5.460 7.721 1.00 0.00 C ATOM 1259 O THR A 79 1.890 -4.700 8.474 1.00 0.00 O ATOM 1260 CB THR A 79 0.248 -7.716 7.983 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.840 -8.447 8.560 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.559 -8.178 8.599 1.00 0.00 C ATOM 0 H THR A 79 -1.775 -6.467 7.190 1.00 0.00 H new ATOM 0 HA THR A 79 -0.102 -6.016 9.266 1.00 0.00 H new ATOM 0 HB THR A 79 0.283 -7.904 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.429 -8.774 7.848 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.683 -9.248 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.387 -7.641 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.548 -7.977 9.670 1.00 0.00 H new ATOM 1270 N GLU A 80 1.649 -5.682 6.463 1.00 0.00 N ATOM 1271 CA GLU A 80 2.817 -5.030 5.883 1.00 0.00 C ATOM 1272 C GLU A 80 2.820 -3.537 6.198 1.00 0.00 C ATOM 1273 O GLU A 80 3.850 -2.970 6.562 1.00 0.00 O ATOM 1274 CB GLU A 80 2.848 -5.243 4.368 1.00 0.00 C ATOM 1275 CG GLU A 80 3.189 -6.666 3.960 1.00 0.00 C ATOM 1276 CD GLU A 80 4.684 -6.904 3.867 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.425 -5.927 3.629 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.112 -8.065 4.031 1.00 0.00 O ATOM 0 H GLU A 80 1.155 -6.308 5.827 1.00 0.00 H new ATOM 0 HA GLU A 80 3.707 -5.478 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.876 -4.978 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.578 -4.563 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.759 -7.360 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.730 -6.884 2.996 1.00 0.00 H new ATOM 1285 N LEU A 81 1.659 -2.906 6.055 1.00 0.00 N ATOM 1286 CA LEU A 81 1.526 -1.479 6.323 1.00 0.00 C ATOM 1287 C LEU A 81 1.846 -1.167 7.782 1.00 0.00 C ATOM 1288 O LEU A 81 2.358 -0.094 8.098 1.00 0.00 O ATOM 1289 CB LEU A 81 0.110 -1.006 5.988 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.057 0.494 5.747 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.585 0.899 4.430 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.530 0.876 5.764 1.00 0.00 C ATOM 0 H LEU A 81 0.797 -3.361 5.755 1.00 0.00 H new ATOM 0 HA LEU A 81 2.239 -0.948 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.228 -1.536 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.552 -1.299 6.803 1.00 0.00 H new ATOM 0 HG LEU A 81 0.446 1.029 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.456 1.970 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.649 0.662 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.112 0.355 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.630 1.947 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.056 0.331 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.960 0.623 6.733 1.00 0.00 H new ATOM 1304 N GLU A 82 1.543 -2.113 8.665 1.00 0.00 N ATOM 1305 CA GLU A 82 1.800 -1.939 10.089 1.00 0.00 C ATOM 1306 C GLU A 82 3.299 -1.930 10.374 1.00 0.00 C ATOM 1307 O GLU A 82 3.736 -1.507 11.445 1.00 0.00 O ATOM 1308 CB GLU A 82 1.124 -3.052 10.892 1.00 0.00 C ATOM 1309 CG GLU A 82 1.206 -2.854 12.396 1.00 0.00 C ATOM 1310 CD GLU A 82 0.227 -1.813 12.903 1.00 0.00 C ATOM 1311 OE1 GLU A 82 0.578 -0.614 12.891 1.00 0.00 O ATOM 1312 OE2 GLU A 82 -0.889 -2.196 13.310 1.00 0.00 O ATOM 0 H GLU A 82 1.119 -3.008 8.419 1.00 0.00 H new ATOM 0 HA GLU A 82 1.384 -0.978 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.076 -3.115 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.585 -4.006 10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.011 -3.803 12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.219 -2.555 12.664 1.00 0.00 H new ATOM 1319 N ARG A 83 4.082 -2.401 9.409 1.00 0.00 N ATOM 1320 CA ARG A 83 5.532 -2.449 9.556 1.00 0.00 C ATOM 1321 C ARG A 83 6.181 -1.208 8.951 1.00 0.00 C ATOM 1322 O ARG A 83 6.812 -0.419 9.654 1.00 0.00 O ATOM 1323 CB ARG A 83 6.091 -3.708 8.890 1.00 0.00 C ATOM 1324 CG ARG A 83 5.373 -4.984 9.298 1.00 0.00 C ATOM 1325 CD ARG A 83 6.284 -6.196 9.182 1.00 0.00 C ATOM 1326 NE ARG A 83 7.419 -6.118 10.097 1.00 0.00 N ATOM 1327 CZ ARG A 83 8.509 -6.868 9.982 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.611 -7.748 8.995 1.00 0.00 N ATOM 1329 NH2 ARG A 83 9.501 -6.739 10.854 1.00 0.00 N ATOM 0 H ARG A 83 3.737 -2.755 8.517 1.00 0.00 H new ATOM 0 HA ARG A 83 5.764 -2.476 10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.026 -3.595 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.148 -3.801 9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.018 -4.891 10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.495 -5.126 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.712 -7.100 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.649 -6.278 8.158 1.00 0.00 H new ATOM 0 HE ARG A 83 7.372 -5.451 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.851 -7.850 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.449 -8.323 8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.427 -6.063 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.337 -7.316 10.764 1.00 0.00 H new ATOM 1343 N VAL A 84 6.022 -1.042 7.642 1.00 0.00 N ATOM 1344 CA VAL A 84 6.593 0.102 6.941 1.00 0.00 C ATOM 1345 C VAL A 84 6.352 1.394 7.713 1.00 0.00 C ATOM 1346 O VAL A 84 7.177 2.307 7.689 1.00 0.00 O ATOM 1347 CB VAL A 84 6.002 0.245 5.526 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.562 -0.827 4.603 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.483 0.179 5.573 1.00 0.00 C ATOM 0 H VAL A 84 5.502 -1.686 7.045 1.00 0.00 H new ATOM 0 HA VAL A 84 7.665 -0.077 6.862 1.00 0.00 H new ATOM 0 HB VAL A 84 6.288 1.219 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.133 -0.710 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.646 -0.727 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.309 -1.812 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.083 0.282 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.173 -0.779 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.103 0.987 6.198 1.00 0.00 H new ATOM 1359 N ARG A 85 5.215 1.465 8.399 1.00 0.00 N ATOM 1360 CA ARG A 85 4.865 2.646 9.178 1.00 0.00 C ATOM 1361 C ARG A 85 5.667 2.699 10.475 1.00 0.00 C ATOM 1362 O ARG A 85 6.178 3.752 10.858 1.00 0.00 O ATOM 1363 CB ARG A 85 3.368 2.650 9.492 1.00 0.00 C ATOM 1364 CG ARG A 85 2.947 1.565 10.470 1.00 0.00 C ATOM 1365 CD ARG A 85 1.467 1.663 10.807 1.00 0.00 C ATOM 1366 NE ARG A 85 0.628 1.087 9.759 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.659 0.803 9.922 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.252 1.041 11.084 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.356 0.280 8.922 1.00 0.00 N ATOM 0 H ARG A 85 4.521 0.718 8.431 1.00 0.00 H new ATOM 0 HA ARG A 85 5.108 3.527 8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.094 3.622 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.810 2.526 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.160 0.585 10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.536 1.649 11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.275 1.149 11.749 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.197 2.709 10.954 1.00 0.00 H new ATOM 0 HE ARG A 85 1.054 0.892 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.719 1.443 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.241 0.822 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.904 0.096 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.344 0.062 9.048 1.00 0.00 H new ATOM 1383 N SER A 86 5.773 1.557 11.147 1.00 0.00 N ATOM 1384 CA SER A 86 6.510 1.474 12.403 1.00 0.00 C ATOM 1385 C SER A 86 7.980 1.823 12.195 1.00 0.00 C ATOM 1386 O SER A 86 8.514 2.723 12.842 1.00 0.00 O ATOM 1387 CB SER A 86 6.386 0.071 12.999 1.00 0.00 C ATOM 1388 OG SER A 86 6.843 0.045 14.340 1.00 0.00 O ATOM 0 H SER A 86 5.358 0.676 10.843 1.00 0.00 H new ATOM 0 HA SER A 86 6.079 2.195 13.097 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.346 -0.254 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.963 -0.634 12.401 1.00 0.00 H new ATOM 0 HG SER A 86 6.752 -0.862 14.699 1.00 0.00 H new ATOM 1394 N GLY A 87 8.630 1.104 11.284 1.00 0.00 N ATOM 1395 CA GLY A 87 10.032 1.351 11.006 1.00 0.00 C ATOM 1396 C GLY A 87 10.844 1.569 12.267 1.00 0.00 C ATOM 1397 O GLY A 87 11.472 2.611 12.456 1.00 0.00 O ATOM 0 H GLY A 87 8.210 0.355 10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.444 0.506 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.123 2.227 10.363 1.00 0.00 H new ATOM 1401 N PRO A 88 10.838 0.567 13.160 1.00 0.00 N ATOM 1402 CA PRO A 88 11.573 0.631 14.426 1.00 0.00 C ATOM 1403 C PRO A 88 13.083 0.570 14.223 1.00 0.00 C ATOM 1404 O PRO A 88 13.827 1.378 14.780 1.00 0.00 O ATOM 1405 CB PRO A 88 11.086 -0.608 15.182 1.00 0.00 C ATOM 1406 CG PRO A 88 10.651 -1.555 14.118 1.00 0.00 C ATOM 1407 CD PRO A 88 10.112 -0.704 13.001 1.00 0.00 C ATOM 0 HA PRO A 88 11.394 1.568 14.954 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.881 -1.037 15.793 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.264 -0.364 15.855 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.486 -2.166 13.775 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.888 -2.238 14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.299 -1.155 12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.034 -0.565 13.086 1.00 0.00 H new ATOM 1415 N SER A 89 13.530 -0.391 13.422 1.00 0.00 N ATOM 1416 CA SER A 89 14.952 -0.559 13.148 1.00 0.00 C ATOM 1417 C SER A 89 15.210 -0.648 11.646 1.00 0.00 C ATOM 1418 O SER A 89 14.277 -0.760 10.851 1.00 0.00 O ATOM 1419 CB SER A 89 15.483 -1.814 13.843 1.00 0.00 C ATOM 1420 OG SER A 89 16.899 -1.803 13.905 1.00 0.00 O ATOM 0 H SER A 89 12.927 -1.066 12.951 1.00 0.00 H new ATOM 0 HA SER A 89 15.477 0.313 13.538 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.072 -1.877 14.851 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.146 -2.701 13.306 1.00 0.00 H new ATOM 0 HG SER A 89 17.213 -2.615 14.355 1.00 0.00 H new ATOM 1426 N SER A 90 16.482 -0.598 11.267 1.00 0.00 N ATOM 1427 CA SER A 90 16.864 -0.669 9.861 1.00 0.00 C ATOM 1428 C SER A 90 16.779 -2.103 9.347 1.00 0.00 C ATOM 1429 O SER A 90 16.059 -2.390 8.392 1.00 0.00 O ATOM 1430 CB SER A 90 18.282 -0.129 9.668 1.00 0.00 C ATOM 1431 OG SER A 90 18.718 -0.306 8.331 1.00 0.00 O ATOM 0 H SER A 90 17.266 -0.509 11.913 1.00 0.00 H new ATOM 0 HA SER A 90 16.168 -0.055 9.289 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.309 0.930 9.926 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.965 -0.640 10.347 1.00 0.00 H new ATOM 0 HG SER A 90 19.626 0.049 8.233 1.00 0.00 H new ATOM 1437 N GLY A 91 17.521 -3.000 9.989 1.00 0.00 N ATOM 1438 CA GLY A 91 17.516 -4.393 9.584 1.00 0.00 C ATOM 1439 C GLY A 91 16.648 -5.255 10.479 1.00 0.00 C ATOM 1440 O GLY A 91 16.240 -6.350 10.092 1.00 0.00 O ATOM 0 H GLY A 91 18.125 -2.787 10.782 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.160 -4.468 8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.537 -4.775 9.596 1.00 0.00 H new TER 1444 GLY A 91