USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0737 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.209 K(o=-0.21,f=-3.4!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -4.97! C(o=-5!,f=-13!) USER MOD Single : A 32 GLN : amide:sc= -3.67! C(o=-3.7!,f=-8.1!) USER MOD Single : A 37 GLN : amide:sc= -0.984 K(o=-0.98,f=-0.056) USER MOD Single : A 40 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-1.4) USER MOD Single : A 41 ASN : amide:sc= -0.796 K(o=-0.8,f=-3.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -12.3! C(o=-12!,f=-15!) USER MOD Single : A 48 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-9.5!) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.0552 (180deg=-0.822) USER MOD Single : A 51 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.51) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.0133 USER MOD Single : A 72 GLN : amide:sc= -0.853 K(o=-0.85,f=-2.6!) USER MOD Single : A 73 MET CE :methyl -125:sc= -2.42 (180deg=-5.67!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.002) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.13) USER MOD Single : A 81 GLN : amide:sc= -0.641 K(o=-0.64,f=-3.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -17:sc= 0.765 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.334 38.147 23.720 1.00 0.00 N ATOM 2 CA GLY A 1 -0.316 36.733 23.393 1.00 0.00 C ATOM 3 C GLY A 1 0.408 36.448 22.092 1.00 0.00 C ATOM 4 O GLY A 1 1.017 37.341 21.504 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.081 38.275 24.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.352 38.650 23.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.286 38.530 23.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.165 36.182 24.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.340 36.366 23.323 1.00 0.00 H new ATOM 8 N SER A 2 0.342 35.199 21.642 1.00 0.00 N ATOM 9 CA SER A 2 1.001 34.797 20.404 1.00 0.00 C ATOM 10 C SER A 2 -0.025 34.503 19.314 1.00 0.00 C ATOM 11 O SER A 2 -0.491 33.373 19.173 1.00 0.00 O ATOM 12 CB SER A 2 1.874 33.564 20.644 1.00 0.00 C ATOM 13 OG SER A 2 2.407 33.072 19.427 1.00 0.00 O ATOM 0 H SER A 2 -0.161 34.448 22.116 1.00 0.00 H new ATOM 0 HA SER A 2 1.632 35.622 20.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.687 33.817 21.325 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.284 32.785 21.127 1.00 0.00 H new ATOM 0 HG SER A 2 2.962 32.285 19.608 1.00 0.00 H new ATOM 19 N SER A 3 -0.371 35.530 18.544 1.00 0.00 N ATOM 20 CA SER A 3 -1.344 35.385 17.468 1.00 0.00 C ATOM 21 C SER A 3 -0.647 35.288 16.114 1.00 0.00 C ATOM 22 O SER A 3 -0.263 36.299 15.527 1.00 0.00 O ATOM 23 CB SER A 3 -2.318 36.565 17.469 1.00 0.00 C ATOM 24 OG SER A 3 -3.433 36.307 16.633 1.00 0.00 O ATOM 0 H SER A 3 0.008 36.471 18.646 1.00 0.00 H new ATOM 0 HA SER A 3 -1.901 34.463 17.638 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.659 36.758 18.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.805 37.464 17.129 1.00 0.00 H new ATOM 0 HG SER A 3 -4.041 37.075 16.652 1.00 0.00 H new ATOM 30 N GLY A 4 -0.486 34.062 15.625 1.00 0.00 N ATOM 31 CA GLY A 4 0.165 33.854 14.345 1.00 0.00 C ATOM 32 C GLY A 4 -0.655 34.384 13.185 1.00 0.00 C ATOM 33 O GLY A 4 -1.885 34.364 13.224 1.00 0.00 O ATOM 0 H GLY A 4 -0.795 33.210 16.092 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.138 34.344 14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.346 32.789 14.202 1.00 0.00 H new ATOM 37 N SER A 5 0.028 34.862 12.149 1.00 0.00 N ATOM 38 CA SER A 5 -0.644 35.405 10.975 1.00 0.00 C ATOM 39 C SER A 5 -0.168 34.707 9.705 1.00 0.00 C ATOM 40 O SER A 5 0.745 35.180 9.028 1.00 0.00 O ATOM 41 CB SER A 5 -0.393 36.911 10.868 1.00 0.00 C ATOM 42 OG SER A 5 -0.900 37.427 9.649 1.00 0.00 O ATOM 0 H SER A 5 1.047 34.884 12.099 1.00 0.00 H new ATOM 0 HA SER A 5 -1.714 35.229 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.865 37.422 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.677 37.110 10.934 1.00 0.00 H new ATOM 0 HG SER A 5 -0.729 38.391 9.605 1.00 0.00 H new ATOM 48 N SER A 6 -0.794 33.578 9.387 1.00 0.00 N ATOM 49 CA SER A 6 -0.433 32.812 8.201 1.00 0.00 C ATOM 50 C SER A 6 -1.666 32.507 7.355 1.00 0.00 C ATOM 51 O SER A 6 -2.517 31.708 7.742 1.00 0.00 O ATOM 52 CB SER A 6 0.259 31.508 8.601 1.00 0.00 C ATOM 53 OG SER A 6 1.079 31.022 7.552 1.00 0.00 O ATOM 0 H SER A 6 -1.554 33.174 9.935 1.00 0.00 H new ATOM 0 HA SER A 6 0.255 33.413 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.864 31.673 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.490 30.759 8.858 1.00 0.00 H new ATOM 0 HG SER A 6 1.511 30.189 7.834 1.00 0.00 H new ATOM 59 N GLY A 7 -1.754 33.152 6.195 1.00 0.00 N ATOM 60 CA GLY A 7 -2.885 32.938 5.311 1.00 0.00 C ATOM 61 C GLY A 7 -2.473 32.362 3.971 1.00 0.00 C ATOM 62 O GLY A 7 -2.156 33.102 3.041 1.00 0.00 O ATOM 0 H GLY A 7 -1.062 33.819 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.594 32.263 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.402 33.884 5.153 1.00 0.00 H new ATOM 66 N ALA A 8 -2.476 31.036 3.872 1.00 0.00 N ATOM 67 CA ALA A 8 -2.100 30.362 2.636 1.00 0.00 C ATOM 68 C ALA A 8 -2.974 29.136 2.391 1.00 0.00 C ATOM 69 O ALA A 8 -3.100 28.269 3.256 1.00 0.00 O ATOM 70 CB ALA A 8 -0.632 29.966 2.676 1.00 0.00 C ATOM 0 H ALA A 8 -2.735 30.408 4.633 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.255 31.057 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.365 29.464 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.018 30.858 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.460 29.292 3.515 1.00 0.00 H new ATOM 76 N ASP A 9 -3.577 29.071 1.209 1.00 0.00 N ATOM 77 CA ASP A 9 -4.439 27.951 0.851 1.00 0.00 C ATOM 78 C ASP A 9 -3.614 26.766 0.358 1.00 0.00 C ATOM 79 O ASP A 9 -3.929 26.161 -0.667 1.00 0.00 O ATOM 80 CB ASP A 9 -5.440 28.374 -0.225 1.00 0.00 C ATOM 81 CG ASP A 9 -6.559 27.368 -0.403 1.00 0.00 C ATOM 82 OD1 ASP A 9 -7.080 26.872 0.619 1.00 0.00 O ATOM 83 OD2 ASP A 9 -6.916 27.075 -1.563 1.00 0.00 O ATOM 0 H ASP A 9 -3.485 29.781 0.482 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.984 27.645 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.865 29.342 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.917 28.503 -1.173 1.00 0.00 H new ATOM 88 N ASP A 10 -2.557 26.441 1.094 1.00 0.00 N ATOM 89 CA ASP A 10 -1.686 25.329 0.732 1.00 0.00 C ATOM 90 C ASP A 10 -1.549 24.347 1.891 1.00 0.00 C ATOM 91 O ASP A 10 -0.687 24.507 2.756 1.00 0.00 O ATOM 92 CB ASP A 10 -0.307 25.846 0.319 1.00 0.00 C ATOM 93 CG ASP A 10 0.621 24.731 -0.121 1.00 0.00 C ATOM 94 OD1 ASP A 10 1.052 23.941 0.745 1.00 0.00 O ATOM 95 OD2 ASP A 10 0.917 24.649 -1.331 1.00 0.00 O ATOM 0 H ASP A 10 -2.283 26.932 1.945 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.137 24.807 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.420 26.563 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.143 26.381 1.156 1.00 0.00 H new ATOM 100 N PHE A 11 -2.405 23.331 1.903 1.00 0.00 N ATOM 101 CA PHE A 11 -2.381 22.323 2.958 1.00 0.00 C ATOM 102 C PHE A 11 -2.927 20.992 2.451 1.00 0.00 C ATOM 103 O PHE A 11 -3.293 20.864 1.283 1.00 0.00 O ATOM 104 CB PHE A 11 -3.196 22.797 4.163 1.00 0.00 C ATOM 105 CG PHE A 11 -2.737 22.206 5.466 1.00 0.00 C ATOM 106 CD1 PHE A 11 -1.406 22.276 5.843 1.00 0.00 C ATOM 107 CD2 PHE A 11 -3.638 21.581 6.313 1.00 0.00 C ATOM 108 CE1 PHE A 11 -0.981 21.734 7.041 1.00 0.00 C ATOM 109 CE2 PHE A 11 -3.218 21.038 7.513 1.00 0.00 C ATOM 110 CZ PHE A 11 -1.888 21.113 7.877 1.00 0.00 C ATOM 0 H PHE A 11 -3.124 23.183 1.195 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.345 22.177 3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.139 23.884 4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.244 22.541 4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.692 22.760 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.679 21.517 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.060 21.796 7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.930 20.555 8.166 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.558 20.687 8.813 1.00 0.00 H new ATOM 120 N ALA A 12 -2.979 20.004 3.338 1.00 0.00 N ATOM 121 CA ALA A 12 -3.481 18.683 2.982 1.00 0.00 C ATOM 122 C ALA A 12 -5.004 18.680 2.895 1.00 0.00 C ATOM 123 O ALA A 12 -5.584 18.027 2.028 1.00 0.00 O ATOM 124 CB ALA A 12 -3.006 17.648 3.991 1.00 0.00 C ATOM 0 H ALA A 12 -2.679 20.094 4.309 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.086 18.424 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.389 16.666 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.916 17.623 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.372 17.912 4.983 1.00 0.00 H new ATOM 130 N MET A 13 -5.645 19.413 3.800 1.00 0.00 N ATOM 131 CA MET A 13 -7.101 19.494 3.824 1.00 0.00 C ATOM 132 C MET A 13 -7.652 19.785 2.432 1.00 0.00 C ATOM 133 O MET A 13 -8.683 19.240 2.038 1.00 0.00 O ATOM 134 CB MET A 13 -7.556 20.579 4.803 1.00 0.00 C ATOM 135 CG MET A 13 -7.315 20.222 6.261 1.00 0.00 C ATOM 136 SD MET A 13 -8.370 18.875 6.830 1.00 0.00 S ATOM 137 CE MET A 13 -7.164 17.807 7.612 1.00 0.00 C ATOM 0 H MET A 13 -5.180 19.959 4.525 1.00 0.00 H new ATOM 0 HA MET A 13 -7.489 18.530 4.155 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.032 21.507 4.573 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.619 20.768 4.655 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.270 19.941 6.394 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.490 21.102 6.880 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.665 16.926 8.015 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.421 17.498 6.877 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.671 18.346 8.421 1.00 0.00 H new ATOM 147 N GLU A 14 -6.960 20.647 1.694 1.00 0.00 N ATOM 148 CA GLU A 14 -7.383 21.010 0.347 1.00 0.00 C ATOM 149 C GLU A 14 -6.893 19.985 -0.672 1.00 0.00 C ATOM 150 O GLU A 14 -7.676 19.193 -1.196 1.00 0.00 O ATOM 151 CB GLU A 14 -6.858 22.400 -0.020 1.00 0.00 C ATOM 152 CG GLU A 14 -7.377 22.915 -1.351 1.00 0.00 C ATOM 153 CD GLU A 14 -8.847 23.285 -1.300 1.00 0.00 C ATOM 154 OE1 GLU A 14 -9.164 24.395 -0.827 1.00 0.00 O ATOM 155 OE2 GLU A 14 -9.680 22.462 -1.735 1.00 0.00 O ATOM 0 H GLU A 14 -6.105 21.107 2.006 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.473 21.024 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.136 23.103 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.769 22.371 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.797 23.788 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.224 22.153 -2.116 1.00 0.00 H new ATOM 162 N MET A 15 -5.593 20.007 -0.947 1.00 0.00 N ATOM 163 CA MET A 15 -4.998 19.079 -1.902 1.00 0.00 C ATOM 164 C MET A 15 -4.890 17.679 -1.305 1.00 0.00 C ATOM 165 O MET A 15 -5.491 16.731 -1.809 1.00 0.00 O ATOM 166 CB MET A 15 -3.615 19.572 -2.330 1.00 0.00 C ATOM 167 CG MET A 15 -3.659 20.766 -3.270 1.00 0.00 C ATOM 168 SD MET A 15 -2.153 20.937 -4.247 1.00 0.00 S ATOM 169 CE MET A 15 -1.684 22.620 -3.853 1.00 0.00 C ATOM 0 H MET A 15 -4.932 20.657 -0.522 1.00 0.00 H new ATOM 0 HA MET A 15 -5.646 19.032 -2.777 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.043 19.840 -1.442 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.082 18.756 -2.818 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.513 20.665 -3.940 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.816 21.675 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.767 22.876 -4.383 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.480 23.300 -4.156 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.520 22.710 -2.779 1.00 0.00 H new ATOM 179 N GLY A 16 -4.119 17.557 -0.229 1.00 0.00 N ATOM 180 CA GLY A 16 -3.947 16.270 0.418 1.00 0.00 C ATOM 181 C GLY A 16 -2.901 15.412 -0.267 1.00 0.00 C ATOM 182 O GLY A 16 -3.221 14.371 -0.842 1.00 0.00 O ATOM 0 H GLY A 16 -3.610 18.327 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.661 16.425 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.899 15.740 0.425 1.00 0.00 H new ATOM 186 N LEU A 17 -1.648 15.850 -0.208 1.00 0.00 N ATOM 187 CA LEU A 17 -0.551 15.116 -0.829 1.00 0.00 C ATOM 188 C LEU A 17 0.499 14.727 0.207 1.00 0.00 C ATOM 189 O LEU A 17 1.662 14.505 -0.127 1.00 0.00 O ATOM 190 CB LEU A 17 0.092 15.958 -1.932 1.00 0.00 C ATOM 191 CG LEU A 17 0.456 17.395 -1.554 1.00 0.00 C ATOM 192 CD1 LEU A 17 1.656 17.871 -2.358 1.00 0.00 C ATOM 193 CD2 LEU A 17 -0.733 18.320 -1.768 1.00 0.00 C ATOM 0 H LEU A 17 -1.367 16.710 0.263 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.958 14.205 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.997 15.451 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.590 15.989 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 17 0.722 17.416 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.900 18.895 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.510 17.225 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.419 17.835 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.456 19.338 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.030 18.294 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.566 17.991 -1.147 1.00 0.00 H new ATOM 205 N ALA A 18 0.079 14.643 1.465 1.00 0.00 N ATOM 206 CA ALA A 18 0.982 14.276 2.549 1.00 0.00 C ATOM 207 C ALA A 18 0.561 12.959 3.192 1.00 0.00 C ATOM 208 O ALA A 18 -0.628 12.698 3.375 1.00 0.00 O ATOM 209 CB ALA A 18 1.031 15.383 3.592 1.00 0.00 C ATOM 0 H ALA A 18 -0.881 14.824 1.759 1.00 0.00 H new ATOM 0 HA ALA A 18 1.979 14.143 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.709 15.096 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.386 16.304 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.033 15.544 3.999 1.00 0.00 H new ATOM 215 N CYS A 19 1.543 12.132 3.532 1.00 0.00 N ATOM 216 CA CYS A 19 1.276 10.840 4.153 1.00 0.00 C ATOM 217 C CYS A 19 0.596 11.019 5.508 1.00 0.00 C ATOM 218 O CYS A 19 0.360 12.142 5.953 1.00 0.00 O ATOM 219 CB CYS A 19 2.576 10.053 4.322 1.00 0.00 C ATOM 220 SG CYS A 19 3.453 10.392 5.883 1.00 0.00 S ATOM 0 H CYS A 19 2.532 12.334 3.388 1.00 0.00 H new ATOM 0 HA CYS A 19 0.605 10.282 3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.353 8.987 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.239 10.283 3.488 1.00 0.00 H new ATOM 225 N VAL A 20 0.285 9.903 6.159 1.00 0.00 N ATOM 226 CA VAL A 20 -0.366 9.935 7.463 1.00 0.00 C ATOM 227 C VAL A 20 0.620 9.602 8.578 1.00 0.00 C ATOM 228 O VAL A 20 0.337 9.817 9.757 1.00 0.00 O ATOM 229 CB VAL A 20 -1.547 8.948 7.526 1.00 0.00 C ATOM 230 CG1 VAL A 20 -1.233 7.689 6.733 1.00 0.00 C ATOM 231 CG2 VAL A 20 -1.881 8.609 8.971 1.00 0.00 C ATOM 0 H VAL A 20 0.473 8.965 5.805 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.741 10.949 7.604 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.420 9.423 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.079 7.003 6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.047 7.952 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.348 7.208 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.718 7.911 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.013 8.153 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.152 9.520 9.505 1.00 0.00 H new ATOM 241 N VAL A 21 1.780 9.077 8.197 1.00 0.00 N ATOM 242 CA VAL A 21 2.810 8.715 9.164 1.00 0.00 C ATOM 243 C VAL A 21 3.469 9.957 9.754 1.00 0.00 C ATOM 244 O VAL A 21 3.202 10.332 10.896 1.00 0.00 O ATOM 245 CB VAL A 21 3.893 7.827 8.524 1.00 0.00 C ATOM 246 CG1 VAL A 21 4.969 7.480 9.542 1.00 0.00 C ATOM 247 CG2 VAL A 21 3.272 6.566 7.942 1.00 0.00 C ATOM 0 H VAL A 21 2.030 8.893 7.226 1.00 0.00 H new ATOM 0 HA VAL A 21 2.317 8.156 9.959 1.00 0.00 H new ATOM 0 HB VAL A 21 4.361 8.383 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.726 6.852 9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.433 8.396 9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.520 6.943 10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.052 5.950 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.777 6.005 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.542 6.838 7.180 1.00 0.00 H new ATOM 257 N CYS A 22 4.333 10.591 8.968 1.00 0.00 N ATOM 258 CA CYS A 22 5.032 11.791 9.412 1.00 0.00 C ATOM 259 C CYS A 22 4.263 13.048 9.011 1.00 0.00 C ATOM 260 O CYS A 22 4.584 14.151 9.454 1.00 0.00 O ATOM 261 CB CYS A 22 6.442 11.833 8.820 1.00 0.00 C ATOM 262 SG CYS A 22 6.486 12.115 7.021 1.00 0.00 S ATOM 0 H CYS A 22 4.566 10.294 8.020 1.00 0.00 H new ATOM 0 HA CYS A 22 5.102 11.760 10.499 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.009 12.622 9.314 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.946 10.892 9.042 1.00 0.00 H new ATOM 267 N ARG A 23 3.248 12.871 8.172 1.00 0.00 N ATOM 268 CA ARG A 23 2.434 13.990 7.712 1.00 0.00 C ATOM 269 C ARG A 23 3.283 15.001 6.947 1.00 0.00 C ATOM 270 O ARG A 23 3.278 16.191 7.258 1.00 0.00 O ATOM 271 CB ARG A 23 1.752 14.674 8.898 1.00 0.00 C ATOM 272 CG ARG A 23 0.504 13.953 9.381 1.00 0.00 C ATOM 273 CD ARG A 23 0.149 14.351 10.806 1.00 0.00 C ATOM 274 NE ARG A 23 -0.522 15.647 10.861 1.00 0.00 N ATOM 275 CZ ARG A 23 -1.829 15.807 10.678 1.00 0.00 C ATOM 276 NH1 ARG A 23 -2.600 14.757 10.431 1.00 0.00 N ATOM 277 NH2 ARG A 23 -2.366 17.018 10.744 1.00 0.00 N ATOM 0 H ARG A 23 2.970 11.964 7.797 1.00 0.00 H new ATOM 0 HA ARG A 23 1.671 13.599 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.462 14.746 9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.487 15.693 8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.330 14.184 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.662 12.876 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.496 13.590 11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.056 14.387 11.409 1.00 0.00 H new ATOM 0 HE ARG A 23 0.043 16.475 11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.191 13.824 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.603 14.882 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.776 17.828 10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.369 17.140 10.603 1.00 0.00 H new ATOM 291 N GLN A 24 4.011 14.517 5.945 1.00 0.00 N ATOM 292 CA GLN A 24 4.866 15.379 5.137 1.00 0.00 C ATOM 293 C GLN A 24 4.493 15.286 3.662 1.00 0.00 C ATOM 294 O GLN A 24 3.848 14.330 3.234 1.00 0.00 O ATOM 295 CB GLN A 24 6.336 15.000 5.329 1.00 0.00 C ATOM 296 CG GLN A 24 6.871 15.321 6.715 1.00 0.00 C ATOM 297 CD GLN A 24 7.258 16.779 6.868 1.00 0.00 C ATOM 298 OE1 GLN A 24 6.564 17.671 6.380 1.00 0.00 O ATOM 299 NE2 GLN A 24 8.370 17.028 7.548 1.00 0.00 N ATOM 0 H GLN A 24 4.026 13.534 5.674 1.00 0.00 H new ATOM 0 HA GLN A 24 4.718 16.407 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.455 13.933 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.938 15.524 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.115 15.070 7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.740 14.695 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.914 16.257 7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.680 17.990 7.684 1.00 0.00 H new ATOM 308 N MET A 25 4.903 16.287 2.889 1.00 0.00 N ATOM 309 CA MET A 25 4.612 16.317 1.460 1.00 0.00 C ATOM 310 C MET A 25 5.894 16.203 0.642 1.00 0.00 C ATOM 311 O MET A 25 5.861 16.218 -0.589 1.00 0.00 O ATOM 312 CB MET A 25 3.873 17.606 1.095 1.00 0.00 C ATOM 313 CG MET A 25 2.671 17.889 1.982 1.00 0.00 C ATOM 314 SD MET A 25 2.347 19.652 2.171 1.00 0.00 S ATOM 315 CE MET A 25 2.478 19.832 3.948 1.00 0.00 C ATOM 0 H MET A 25 5.437 17.087 3.228 1.00 0.00 H new ATOM 0 HA MET A 25 3.976 15.464 1.226 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.567 18.444 1.159 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.543 17.545 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.791 17.405 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.837 17.447 2.964 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.302 20.872 4.222 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.736 19.198 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.476 19.535 4.271 1.00 0.00 H new ATOM 325 N THR A 26 7.025 16.090 1.333 1.00 0.00 N ATOM 326 CA THR A 26 8.318 15.976 0.670 1.00 0.00 C ATOM 327 C THR A 26 8.711 14.515 0.482 1.00 0.00 C ATOM 328 O THR A 26 8.888 13.779 1.452 1.00 0.00 O ATOM 329 CB THR A 26 9.423 16.695 1.467 1.00 0.00 C ATOM 330 OG1 THR A 26 8.955 17.975 1.907 1.00 0.00 O ATOM 331 CG2 THR A 26 10.674 16.870 0.619 1.00 0.00 C ATOM 0 H THR A 26 7.071 16.075 2.352 1.00 0.00 H new ATOM 0 HA THR A 26 8.217 16.451 -0.306 1.00 0.00 H new ATOM 0 HB THR A 26 9.673 16.083 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.662 18.425 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.441 17.380 1.202 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.044 15.892 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.435 17.463 -0.264 1.00 0.00 H new ATOM 339 N VAL A 27 8.848 14.101 -0.774 1.00 0.00 N ATOM 340 CA VAL A 27 9.223 12.728 -1.090 1.00 0.00 C ATOM 341 C VAL A 27 10.685 12.641 -1.514 1.00 0.00 C ATOM 342 O VAL A 27 11.419 13.627 -1.452 1.00 0.00 O ATOM 343 CB VAL A 27 8.339 12.149 -2.211 1.00 0.00 C ATOM 344 CG1 VAL A 27 6.893 12.045 -1.751 1.00 0.00 C ATOM 345 CG2 VAL A 27 8.448 12.999 -3.468 1.00 0.00 C ATOM 0 H VAL A 27 8.705 14.697 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 27 9.076 12.143 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 27 8.693 11.145 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.284 11.634 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.834 11.391 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.523 13.036 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.817 12.575 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.121 14.016 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.484 13.016 -3.807 1.00 0.00 H new ATOM 355 N ALA A 28 11.101 11.455 -1.945 1.00 0.00 N ATOM 356 CA ALA A 28 12.474 11.240 -2.382 1.00 0.00 C ATOM 357 C ALA A 28 12.570 10.043 -3.322 1.00 0.00 C ATOM 358 O ALA A 28 11.630 9.257 -3.440 1.00 0.00 O ATOM 359 CB ALA A 28 13.386 11.044 -1.180 1.00 0.00 C ATOM 0 H ALA A 28 10.506 10.628 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 28 12.798 12.125 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.409 10.884 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.349 11.930 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.054 10.176 -0.609 1.00 0.00 H new ATOM 365 N SER A 29 13.712 9.910 -3.989 1.00 0.00 N ATOM 366 CA SER A 29 13.929 8.811 -4.923 1.00 0.00 C ATOM 367 C SER A 29 13.755 7.465 -4.227 1.00 0.00 C ATOM 368 O SER A 29 14.632 7.017 -3.490 1.00 0.00 O ATOM 369 CB SER A 29 15.327 8.904 -5.537 1.00 0.00 C ATOM 370 OG SER A 29 15.346 8.361 -6.846 1.00 0.00 O ATOM 0 H SER A 29 14.501 10.550 -3.900 1.00 0.00 H new ATOM 0 HA SER A 29 13.186 8.889 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.646 9.946 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.040 8.371 -4.908 1.00 0.00 H new ATOM 0 HG SER A 29 16.250 8.434 -7.217 1.00 0.00 H new ATOM 376 N GLY A 30 12.614 6.824 -4.466 1.00 0.00 N ATOM 377 CA GLY A 30 12.345 5.536 -3.856 1.00 0.00 C ATOM 378 C GLY A 30 11.397 5.640 -2.677 1.00 0.00 C ATOM 379 O GLY A 30 10.841 4.638 -2.229 1.00 0.00 O ATOM 0 H GLY A 30 11.872 7.175 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.919 4.866 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.283 5.091 -3.526 1.00 0.00 H new ATOM 383 N ASN A 31 11.213 6.856 -2.173 1.00 0.00 N ATOM 384 CA ASN A 31 10.328 7.087 -1.038 1.00 0.00 C ATOM 385 C ASN A 31 9.162 7.989 -1.431 1.00 0.00 C ATOM 386 O ASN A 31 8.783 8.890 -0.684 1.00 0.00 O ATOM 387 CB ASN A 31 11.104 7.714 0.122 1.00 0.00 C ATOM 388 CG ASN A 31 10.204 8.093 1.282 1.00 0.00 C ATOM 389 OD1 ASN A 31 9.055 7.658 1.359 1.00 0.00 O ATOM 390 ND2 ASN A 31 10.724 8.909 2.192 1.00 0.00 N ATOM 0 H ASN A 31 11.665 7.696 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 31 9.928 6.124 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.863 7.013 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.628 8.601 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.166 9.199 2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.681 9.245 2.088 1.00 0.00 H new ATOM 397 N GLN A 32 8.600 7.740 -2.609 1.00 0.00 N ATOM 398 CA GLN A 32 7.478 8.530 -3.102 1.00 0.00 C ATOM 399 C GLN A 32 6.276 8.409 -2.171 1.00 0.00 C ATOM 400 O GLN A 32 6.353 7.772 -1.120 1.00 0.00 O ATOM 401 CB GLN A 32 7.092 8.083 -4.513 1.00 0.00 C ATOM 402 CG GLN A 32 7.882 8.779 -5.609 1.00 0.00 C ATOM 403 CD GLN A 32 9.222 9.297 -5.124 1.00 0.00 C ATOM 404 OE1 GLN A 32 9.300 10.347 -4.487 1.00 0.00 O ATOM 405 NE2 GLN A 32 10.285 8.560 -5.424 1.00 0.00 N ATOM 0 H GLN A 32 8.903 6.998 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 32 7.788 9.575 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.240 7.006 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.029 8.271 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.042 8.084 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.296 9.610 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.173 7.696 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.213 8.858 -5.124 1.00 0.00 H new ATOM 414 N LEU A 33 5.166 9.024 -2.563 1.00 0.00 N ATOM 415 CA LEU A 33 3.946 8.985 -1.763 1.00 0.00 C ATOM 416 C LEU A 33 2.904 8.073 -2.403 1.00 0.00 C ATOM 417 O LEU A 33 2.652 8.149 -3.605 1.00 0.00 O ATOM 418 CB LEU A 33 3.375 10.395 -1.600 1.00 0.00 C ATOM 419 CG LEU A 33 3.861 11.179 -0.380 1.00 0.00 C ATOM 420 CD1 LEU A 33 3.684 12.673 -0.601 1.00 0.00 C ATOM 421 CD2 LEU A 33 3.121 10.731 0.872 1.00 0.00 C ATOM 0 H LEU A 33 5.085 9.556 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 33 4.197 8.585 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.616 10.969 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.289 10.322 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 33 4.923 10.976 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.035 13.215 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.260 12.983 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.629 12.894 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.480 11.300 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.052 10.903 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.300 9.669 1.040 1.00 0.00 H new ATOM 433 N VAL A 34 2.300 7.212 -1.590 1.00 0.00 N ATOM 434 CA VAL A 34 1.283 6.287 -2.075 1.00 0.00 C ATOM 435 C VAL A 34 -0.072 6.578 -1.439 1.00 0.00 C ATOM 436 O VAL A 34 -0.148 7.115 -0.335 1.00 0.00 O ATOM 437 CB VAL A 34 1.670 4.825 -1.786 1.00 0.00 C ATOM 438 CG1 VAL A 34 0.887 3.878 -2.682 1.00 0.00 C ATOM 439 CG2 VAL A 34 3.167 4.625 -1.964 1.00 0.00 C ATOM 0 H VAL A 34 2.498 7.136 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 34 1.214 6.430 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 34 1.417 4.599 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.174 2.849 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.180 4.004 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.105 4.101 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.423 3.586 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.447 4.869 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.705 5.276 -1.275 1.00 0.00 H new ATOM 449 N GLU A 35 -1.140 6.220 -2.146 1.00 0.00 N ATOM 450 CA GLU A 35 -2.493 6.443 -1.650 1.00 0.00 C ATOM 451 C GLU A 35 -3.276 5.135 -1.598 1.00 0.00 C ATOM 452 O GLU A 35 -3.419 4.443 -2.607 1.00 0.00 O ATOM 453 CB GLU A 35 -3.224 7.454 -2.536 1.00 0.00 C ATOM 454 CG GLU A 35 -4.688 7.636 -2.171 1.00 0.00 C ATOM 455 CD GLU A 35 -5.472 8.360 -3.248 1.00 0.00 C ATOM 456 OE1 GLU A 35 -5.315 8.008 -4.436 1.00 0.00 O ATOM 457 OE2 GLU A 35 -6.242 9.281 -2.903 1.00 0.00 O ATOM 0 H GLU A 35 -1.094 5.775 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.421 6.843 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.719 8.417 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.155 7.131 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.138 6.659 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.759 8.194 -1.238 1.00 0.00 H new ATOM 464 N CYS A 36 -3.782 4.801 -0.416 1.00 0.00 N ATOM 465 CA CYS A 36 -4.550 3.576 -0.230 1.00 0.00 C ATOM 466 C CYS A 36 -5.862 3.634 -1.008 1.00 0.00 C ATOM 467 O CYS A 36 -6.286 4.701 -1.450 1.00 0.00 O ATOM 468 CB CYS A 36 -4.835 3.348 1.255 1.00 0.00 C ATOM 469 SG CYS A 36 -5.505 1.697 1.639 1.00 0.00 S ATOM 0 H CYS A 36 -3.674 5.362 0.429 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.958 2.744 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.913 3.494 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.541 4.104 1.599 1.00 0.00 H new ATOM 474 N GLN A 37 -6.499 2.478 -1.170 1.00 0.00 N ATOM 475 CA GLN A 37 -7.762 2.397 -1.894 1.00 0.00 C ATOM 476 C GLN A 37 -8.934 2.249 -0.930 1.00 0.00 C ATOM 477 O GLN A 37 -10.030 2.742 -1.191 1.00 0.00 O ATOM 478 CB GLN A 37 -7.739 1.222 -2.872 1.00 0.00 C ATOM 479 CG GLN A 37 -6.600 1.288 -3.877 1.00 0.00 C ATOM 480 CD GLN A 37 -6.694 2.498 -4.785 1.00 0.00 C ATOM 481 OE1 GLN A 37 -7.251 2.425 -5.881 1.00 0.00 O ATOM 482 NE2 GLN A 37 -6.147 3.621 -4.334 1.00 0.00 N ATOM 0 H GLN A 37 -6.161 1.586 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.891 3.324 -2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.661 0.292 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.686 1.190 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.650 1.312 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.602 0.382 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.695 3.637 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.179 4.468 -4.902 1.00 0.00 H new ATOM 491 N GLU A 38 -8.694 1.566 0.185 1.00 0.00 N ATOM 492 CA GLU A 38 -9.731 1.352 1.188 1.00 0.00 C ATOM 493 C GLU A 38 -9.892 2.583 2.075 1.00 0.00 C ATOM 494 O GLU A 38 -10.945 3.222 2.084 1.00 0.00 O ATOM 495 CB GLU A 38 -9.397 0.131 2.047 1.00 0.00 C ATOM 496 CG GLU A 38 -10.622 -0.599 2.570 1.00 0.00 C ATOM 497 CD GLU A 38 -11.196 0.043 3.818 1.00 0.00 C ATOM 498 OE1 GLU A 38 -10.499 0.052 4.854 1.00 0.00 O ATOM 499 OE2 GLU A 38 -12.341 0.537 3.759 1.00 0.00 O ATOM 0 H GLU A 38 -7.791 1.152 0.416 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.672 1.174 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.795 -0.562 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.785 0.448 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.386 -0.621 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.358 -1.634 2.787 1.00 0.00 H new ATOM 506 N CYS A 39 -8.842 2.910 2.820 1.00 0.00 N ATOM 507 CA CYS A 39 -8.865 4.063 3.712 1.00 0.00 C ATOM 508 C CYS A 39 -8.602 5.353 2.940 1.00 0.00 C ATOM 509 O CYS A 39 -9.014 6.435 3.359 1.00 0.00 O ATOM 510 CB CYS A 39 -7.824 3.897 4.821 1.00 0.00 C ATOM 511 SG CYS A 39 -6.103 3.861 4.225 1.00 0.00 S ATOM 0 H CYS A 39 -7.963 2.392 2.824 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.857 4.125 4.161 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.934 4.715 5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.029 2.973 5.362 1.00 0.00 H new ATOM 516 N HIS A 40 -7.912 5.230 1.810 1.00 0.00 N ATOM 517 CA HIS A 40 -7.594 6.385 0.979 1.00 0.00 C ATOM 518 C HIS A 40 -6.611 7.311 1.689 1.00 0.00 C ATOM 519 O HIS A 40 -6.623 8.523 1.479 1.00 0.00 O ATOM 520 CB HIS A 40 -8.869 7.151 0.624 1.00 0.00 C ATOM 521 CG HIS A 40 -9.942 6.289 0.035 1.00 0.00 C ATOM 522 ND1 HIS A 40 -10.140 6.157 -1.324 1.00 0.00 N ATOM 523 CD2 HIS A 40 -10.877 5.510 0.627 1.00 0.00 C ATOM 524 CE1 HIS A 40 -11.152 5.336 -1.541 1.00 0.00 C ATOM 525 NE2 HIS A 40 -11.616 4.929 -0.374 1.00 0.00 N ATOM 0 H HIS A 40 -7.563 4.342 1.449 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.128 6.024 0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.255 7.634 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.622 7.943 -0.083 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.016 5.371 1.689 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.535 5.047 -2.509 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.397 4.287 -0.238 1.00 0.00 H new ATOM 534 N ASN A 41 -5.761 6.731 2.530 1.00 0.00 N ATOM 535 CA ASN A 41 -4.772 7.504 3.272 1.00 0.00 C ATOM 536 C ASN A 41 -3.417 7.469 2.572 1.00 0.00 C ATOM 537 O ASN A 41 -3.047 6.464 1.962 1.00 0.00 O ATOM 538 CB ASN A 41 -4.636 6.964 4.697 1.00 0.00 C ATOM 539 CG ASN A 41 -5.859 7.257 5.545 1.00 0.00 C ATOM 540 OD1 ASN A 41 -6.949 6.750 5.279 1.00 0.00 O ATOM 541 ND2 ASN A 41 -5.683 8.080 6.572 1.00 0.00 N ATOM 0 H ASN A 41 -5.737 5.728 2.715 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.113 8.538 3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.472 5.887 4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.757 7.405 5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.469 8.315 7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.762 8.477 6.755 1.00 0.00 H new ATOM 548 N LEU A 42 -2.681 8.570 2.664 1.00 0.00 N ATOM 549 CA LEU A 42 -1.365 8.666 2.040 1.00 0.00 C ATOM 550 C LEU A 42 -0.298 8.020 2.918 1.00 0.00 C ATOM 551 O LEU A 42 -0.212 8.298 4.114 1.00 0.00 O ATOM 552 CB LEU A 42 -1.009 10.130 1.778 1.00 0.00 C ATOM 553 CG LEU A 42 -1.787 10.821 0.658 1.00 0.00 C ATOM 554 CD1 LEU A 42 -1.272 12.235 0.443 1.00 0.00 C ATOM 555 CD2 LEU A 42 -1.693 10.016 -0.631 1.00 0.00 C ATOM 0 H LEU A 42 -2.972 9.410 3.165 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.400 8.132 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.163 10.691 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.054 10.188 1.544 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.835 10.879 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.838 12.711 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.391 12.809 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.217 12.201 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.252 10.522 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.648 9.926 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.111 9.022 -0.471 1.00 0.00 H new ATOM 567 N TYR A 43 0.514 7.159 2.316 1.00 0.00 N ATOM 568 CA TYR A 43 1.576 6.473 3.042 1.00 0.00 C ATOM 569 C TYR A 43 2.885 6.513 2.260 1.00 0.00 C ATOM 570 O TYR A 43 3.034 5.836 1.242 1.00 0.00 O ATOM 571 CB TYR A 43 1.178 5.022 3.319 1.00 0.00 C ATOM 572 CG TYR A 43 0.326 4.853 4.557 1.00 0.00 C ATOM 573 CD1 TYR A 43 0.909 4.666 5.805 1.00 0.00 C ATOM 574 CD2 TYR A 43 -1.060 4.879 4.479 1.00 0.00 C ATOM 575 CE1 TYR A 43 0.135 4.511 6.938 1.00 0.00 C ATOM 576 CE2 TYR A 43 -1.842 4.726 5.608 1.00 0.00 C ATOM 577 CZ TYR A 43 -1.240 4.542 6.835 1.00 0.00 C ATOM 578 OH TYR A 43 -2.015 4.388 7.961 1.00 0.00 O ATOM 0 H TYR A 43 0.457 6.919 1.326 1.00 0.00 H new ATOM 0 HA TYR A 43 1.725 6.989 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.634 4.633 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.081 4.420 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.985 4.642 5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.535 5.021 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.604 4.366 7.900 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.919 4.750 5.530 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.962 4.436 7.715 1.00 0.00 H new ATOM 588 N HIS A 44 3.832 7.311 2.744 1.00 0.00 N ATOM 589 CA HIS A 44 5.130 7.439 2.092 1.00 0.00 C ATOM 590 C HIS A 44 5.760 6.069 1.862 1.00 0.00 C ATOM 591 O HIS A 44 5.928 5.288 2.798 1.00 0.00 O ATOM 592 CB HIS A 44 6.064 8.308 2.934 1.00 0.00 C ATOM 593 CG HIS A 44 6.066 9.751 2.531 1.00 0.00 C ATOM 594 ND1 HIS A 44 5.621 10.763 3.355 1.00 0.00 N ATOM 595 CD2 HIS A 44 6.464 10.348 1.384 1.00 0.00 C ATOM 596 CE1 HIS A 44 5.744 11.921 2.731 1.00 0.00 C ATOM 597 NE2 HIS A 44 6.254 11.697 1.533 1.00 0.00 N ATOM 0 H HIS A 44 3.725 7.878 3.585 1.00 0.00 H new ATOM 0 HA HIS A 44 4.977 7.916 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.771 8.232 3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 44 7.078 7.917 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.871 9.855 0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.474 12.887 3.132 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.458 12.410 0.833 1.00 0.00 H new ATOM 605 N GLN A 45 6.106 5.785 0.610 1.00 0.00 N ATOM 606 CA GLN A 45 6.717 4.508 0.258 1.00 0.00 C ATOM 607 C GLN A 45 7.664 4.036 1.357 1.00 0.00 C ATOM 608 O GLN A 45 7.874 2.836 1.536 1.00 0.00 O ATOM 609 CB GLN A 45 7.472 4.628 -1.066 1.00 0.00 C ATOM 610 CG GLN A 45 6.570 4.573 -2.289 1.00 0.00 C ATOM 611 CD GLN A 45 7.307 4.133 -3.539 1.00 0.00 C ATOM 612 OE1 GLN A 45 8.182 3.269 -3.486 1.00 0.00 O ATOM 613 NE2 GLN A 45 6.955 4.728 -4.673 1.00 0.00 N ATOM 0 H GLN A 45 5.974 6.421 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 45 5.921 3.771 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.025 5.567 -1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.206 3.825 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.746 3.886 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.132 5.557 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.224 5.439 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.416 4.474 -5.547 1.00 0.00 H new ATOM 622 N ASP A 46 8.233 4.987 2.089 1.00 0.00 N ATOM 623 CA ASP A 46 9.158 4.669 3.170 1.00 0.00 C ATOM 624 C ASP A 46 8.419 4.552 4.500 1.00 0.00 C ATOM 625 O ASP A 46 8.368 3.478 5.101 1.00 0.00 O ATOM 626 CB ASP A 46 10.247 5.739 3.270 1.00 0.00 C ATOM 627 CG ASP A 46 11.019 5.658 4.572 1.00 0.00 C ATOM 628 OD1 ASP A 46 11.449 4.544 4.940 1.00 0.00 O ATOM 629 OD2 ASP A 46 11.195 6.709 5.223 1.00 0.00 O ATOM 0 H ASP A 46 8.070 5.985 1.953 1.00 0.00 H new ATOM 0 HA ASP A 46 9.623 3.709 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.938 5.630 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.792 6.726 3.181 1.00 0.00 H new ATOM 634 N CYS A 47 7.849 5.662 4.954 1.00 0.00 N ATOM 635 CA CYS A 47 7.114 5.686 6.213 1.00 0.00 C ATOM 636 C CYS A 47 6.343 4.384 6.417 1.00 0.00 C ATOM 637 O CYS A 47 6.263 3.866 7.531 1.00 0.00 O ATOM 638 CB CYS A 47 6.149 6.872 6.242 1.00 0.00 C ATOM 639 SG CYS A 47 6.969 8.495 6.350 1.00 0.00 S ATOM 0 H CYS A 47 7.882 6.558 4.468 1.00 0.00 H new ATOM 0 HA CYS A 47 7.835 5.793 7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.533 6.847 5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.477 6.759 7.093 1.00 0.00 H new ATOM 644 N HIS A 48 5.778 3.861 5.333 1.00 0.00 N ATOM 645 CA HIS A 48 5.015 2.620 5.393 1.00 0.00 C ATOM 646 C HIS A 48 5.898 1.459 5.841 1.00 0.00 C ATOM 647 O HIS A 48 7.122 1.512 5.715 1.00 0.00 O ATOM 648 CB HIS A 48 4.399 2.309 4.028 1.00 0.00 C ATOM 649 CG HIS A 48 3.111 1.550 4.112 1.00 0.00 C ATOM 650 ND1 HIS A 48 2.842 0.437 3.343 1.00 0.00 N ATOM 651 CD2 HIS A 48 2.014 1.749 4.880 1.00 0.00 C ATOM 652 CE1 HIS A 48 1.635 -0.015 3.634 1.00 0.00 C ATOM 653 NE2 HIS A 48 1.112 0.763 4.564 1.00 0.00 N ATOM 0 H HIS A 48 5.834 4.277 4.404 1.00 0.00 H new ATOM 0 HA HIS A 48 4.217 2.749 6.124 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.226 3.244 3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.113 1.733 3.439 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.476 0.027 2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.874 2.536 5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.157 -0.875 3.187 1.00 0.00 H new ATOM 662 N LYS A 49 5.271 0.413 6.366 1.00 0.00 N ATOM 663 CA LYS A 49 5.998 -0.761 6.833 1.00 0.00 C ATOM 664 C LYS A 49 6.762 -1.419 5.688 1.00 0.00 C ATOM 665 O LYS A 49 7.992 -1.410 5.644 1.00 0.00 O ATOM 666 CB LYS A 49 5.033 -1.768 7.462 1.00 0.00 C ATOM 667 CG LYS A 49 4.945 -1.664 8.975 1.00 0.00 C ATOM 668 CD LYS A 49 6.093 -2.394 9.651 1.00 0.00 C ATOM 669 CE LYS A 49 5.742 -3.848 9.931 1.00 0.00 C ATOM 670 NZ LYS A 49 6.118 -4.737 8.797 1.00 0.00 N ATOM 0 H LYS A 49 4.259 0.354 6.479 1.00 0.00 H new ATOM 0 HA LYS A 49 6.716 -0.437 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.040 -1.620 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.348 -2.776 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.956 -0.615 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.997 -2.081 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.978 -2.348 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.344 -1.893 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.253 -4.177 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.672 -3.933 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.285 -5.700 9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.347 -4.754 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.984 -4.378 8.347 1.00 0.00 H new ATOM 684 N PRO A 50 6.017 -2.004 4.738 1.00 0.00 N ATOM 685 CA PRO A 50 6.603 -2.675 3.574 1.00 0.00 C ATOM 686 C PRO A 50 7.249 -1.694 2.602 1.00 0.00 C ATOM 687 O PRO A 50 6.560 -0.914 1.945 1.00 0.00 O ATOM 688 CB PRO A 50 5.403 -3.364 2.920 1.00 0.00 C ATOM 689 CG PRO A 50 4.225 -2.557 3.346 1.00 0.00 C ATOM 690 CD PRO A 50 4.545 -2.053 4.726 1.00 0.00 C ATOM 0 HA PRO A 50 7.402 -3.359 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.500 -3.381 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.313 -4.399 3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.050 -1.729 2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.319 -3.163 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.109 -1.071 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.159 -2.720 5.497 1.00 0.00 H new ATOM 698 N GLN A 51 8.574 -1.738 2.517 1.00 0.00 N ATOM 699 CA GLN A 51 9.312 -0.851 1.625 1.00 0.00 C ATOM 700 C GLN A 51 8.697 -0.849 0.229 1.00 0.00 C ATOM 701 O GLN A 51 8.893 -1.785 -0.548 1.00 0.00 O ATOM 702 CB GLN A 51 10.780 -1.276 1.548 1.00 0.00 C ATOM 703 CG GLN A 51 11.645 -0.672 2.643 1.00 0.00 C ATOM 704 CD GLN A 51 12.863 -1.519 2.957 1.00 0.00 C ATOM 705 OE1 GLN A 51 12.845 -2.739 2.791 1.00 0.00 O ATOM 706 NE2 GLN A 51 13.930 -0.874 3.414 1.00 0.00 N ATOM 0 H GLN A 51 9.159 -2.378 3.054 1.00 0.00 H new ATOM 0 HA GLN A 51 9.255 0.160 2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.839 -2.363 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.183 -0.988 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.968 0.323 2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.048 -0.551 3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.900 0.138 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.779 -1.391 3.643 1.00 0.00 H new ATOM 715 N VAL A 52 7.954 0.207 -0.084 1.00 0.00 N ATOM 716 CA VAL A 52 7.311 0.331 -1.387 1.00 0.00 C ATOM 717 C VAL A 52 8.311 0.759 -2.454 1.00 0.00 C ATOM 718 O VAL A 52 9.256 1.498 -2.176 1.00 0.00 O ATOM 719 CB VAL A 52 6.153 1.346 -1.347 1.00 0.00 C ATOM 720 CG1 VAL A 52 5.489 1.452 -2.711 1.00 0.00 C ATOM 721 CG2 VAL A 52 5.140 0.956 -0.281 1.00 0.00 C ATOM 0 H VAL A 52 7.782 0.990 0.547 1.00 0.00 H new ATOM 0 HA VAL A 52 6.914 -0.652 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 52 6.559 2.324 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.673 2.174 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.222 1.781 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.095 0.478 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.329 1.684 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.737 -0.032 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.627 0.936 0.694 1.00 0.00 H new ATOM 731 N THR A 53 8.097 0.291 -3.680 1.00 0.00 N ATOM 732 CA THR A 53 8.980 0.624 -4.791 1.00 0.00 C ATOM 733 C THR A 53 8.354 1.682 -5.692 1.00 0.00 C ATOM 734 O THR A 53 7.259 2.175 -5.419 1.00 0.00 O ATOM 735 CB THR A 53 9.316 -0.620 -5.634 1.00 0.00 C ATOM 736 OG1 THR A 53 8.112 -1.208 -6.141 1.00 0.00 O ATOM 737 CG2 THR A 53 10.078 -1.645 -4.808 1.00 0.00 C ATOM 0 H THR A 53 7.319 -0.320 -3.929 1.00 0.00 H new ATOM 0 HA THR A 53 9.899 1.018 -4.358 1.00 0.00 H new ATOM 0 HB THR A 53 9.946 -0.308 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.334 -1.997 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.304 -2.514 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.008 -1.204 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.469 -1.952 -3.958 1.00 0.00 H new ATOM 745 N ASP A 54 9.054 2.026 -6.767 1.00 0.00 N ATOM 746 CA ASP A 54 8.565 3.024 -7.711 1.00 0.00 C ATOM 747 C ASP A 54 7.673 2.382 -8.769 1.00 0.00 C ATOM 748 O ASP A 54 6.838 3.048 -9.381 1.00 0.00 O ATOM 749 CB ASP A 54 9.738 3.740 -8.382 1.00 0.00 C ATOM 750 CG ASP A 54 10.695 4.350 -7.377 1.00 0.00 C ATOM 751 OD1 ASP A 54 10.237 5.140 -6.525 1.00 0.00 O ATOM 752 OD2 ASP A 54 11.903 4.039 -7.442 1.00 0.00 O ATOM 0 H ASP A 54 9.962 1.628 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 54 7.973 3.752 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.279 3.034 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.355 4.523 -9.037 1.00 0.00 H new ATOM 757 N LYS A 55 7.856 1.083 -8.980 1.00 0.00 N ATOM 758 CA LYS A 55 7.069 0.349 -9.963 1.00 0.00 C ATOM 759 C LYS A 55 5.662 0.076 -9.441 1.00 0.00 C ATOM 760 O LYS A 55 4.698 0.063 -10.206 1.00 0.00 O ATOM 761 CB LYS A 55 7.758 -0.972 -10.316 1.00 0.00 C ATOM 762 CG LYS A 55 6.802 -2.043 -10.812 1.00 0.00 C ATOM 763 CD LYS A 55 6.263 -1.713 -12.193 1.00 0.00 C ATOM 764 CE LYS A 55 5.670 -2.941 -12.868 1.00 0.00 C ATOM 765 NZ LYS A 55 5.060 -2.609 -14.186 1.00 0.00 N ATOM 0 H LYS A 55 8.543 0.517 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 55 6.992 0.963 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.511 -0.786 -11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.283 -1.345 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.315 -3.004 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.973 -2.145 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.501 -0.938 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.065 -1.309 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.449 -3.691 -13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.914 -3.383 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.667 -3.472 -14.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.300 -1.912 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.787 -2.211 -14.814 1.00 0.00 H new ATOM 779 N GLU A 56 5.553 -0.138 -8.133 1.00 0.00 N ATOM 780 CA GLU A 56 4.263 -0.409 -7.510 1.00 0.00 C ATOM 781 C GLU A 56 3.333 0.793 -7.639 1.00 0.00 C ATOM 782 O GLU A 56 2.214 0.677 -8.141 1.00 0.00 O ATOM 783 CB GLU A 56 4.450 -0.767 -6.034 1.00 0.00 C ATOM 784 CG GLU A 56 4.952 -2.183 -5.810 1.00 0.00 C ATOM 785 CD GLU A 56 4.588 -2.722 -4.440 1.00 0.00 C ATOM 786 OE1 GLU A 56 5.256 -2.340 -3.456 1.00 0.00 O ATOM 787 OE2 GLU A 56 3.635 -3.524 -4.351 1.00 0.00 O ATOM 0 H GLU A 56 6.341 -0.129 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 56 3.809 -1.254 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.154 -0.066 -5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.500 -0.641 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.536 -2.837 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.035 -2.203 -5.928 1.00 0.00 H new ATOM 794 N VAL A 57 3.803 1.950 -7.182 1.00 0.00 N ATOM 795 CA VAL A 57 3.015 3.175 -7.246 1.00 0.00 C ATOM 796 C VAL A 57 2.627 3.504 -8.683 1.00 0.00 C ATOM 797 O VAL A 57 1.495 3.901 -8.955 1.00 0.00 O ATOM 798 CB VAL A 57 3.782 4.368 -6.647 1.00 0.00 C ATOM 799 CG1 VAL A 57 4.087 4.124 -5.177 1.00 0.00 C ATOM 800 CG2 VAL A 57 5.062 4.625 -7.429 1.00 0.00 C ATOM 0 H VAL A 57 4.726 2.064 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 57 2.113 3.002 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 57 3.153 5.255 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.629 4.978 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.154 3.993 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.696 3.226 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.592 5.472 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.697 3.740 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.816 4.848 -8.467 1.00 0.00 H new ATOM 810 N ASN A 58 3.574 3.334 -9.600 1.00 0.00 N ATOM 811 CA ASN A 58 3.331 3.613 -11.010 1.00 0.00 C ATOM 812 C ASN A 58 2.193 2.750 -11.548 1.00 0.00 C ATOM 813 O ASN A 58 1.265 3.253 -12.180 1.00 0.00 O ATOM 814 CB ASN A 58 4.602 3.367 -11.826 1.00 0.00 C ATOM 815 CG ASN A 58 5.466 4.608 -11.939 1.00 0.00 C ATOM 816 OD1 ASN A 58 5.608 5.183 -13.019 1.00 0.00 O ATOM 817 ND2 ASN A 58 6.049 5.026 -10.822 1.00 0.00 N ATOM 0 H ASN A 58 4.517 3.004 -9.392 1.00 0.00 H new ATOM 0 HA ASN A 58 3.044 4.660 -11.103 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.179 2.567 -11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.329 3.026 -12.824 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.643 5.855 -10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.903 4.518 -9.950 1.00 0.00 H new ATOM 824 N ASP A 59 2.273 1.449 -11.291 1.00 0.00 N ATOM 825 CA ASP A 59 1.249 0.516 -11.747 1.00 0.00 C ATOM 826 C ASP A 59 -0.148 1.080 -11.504 1.00 0.00 C ATOM 827 O ASP A 59 -0.650 1.097 -10.380 1.00 0.00 O ATOM 828 CB ASP A 59 1.400 -0.828 -11.034 1.00 0.00 C ATOM 829 CG ASP A 59 0.730 -1.961 -11.786 1.00 0.00 C ATOM 830 OD1 ASP A 59 -0.492 -1.872 -12.028 1.00 0.00 O ATOM 831 OD2 ASP A 59 1.428 -2.936 -12.134 1.00 0.00 O ATOM 0 H ASP A 59 3.036 1.017 -10.770 1.00 0.00 H new ATOM 0 HA ASP A 59 1.380 0.367 -12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.459 -1.054 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.971 -0.756 -10.034 1.00 0.00 H new ATOM 836 N PRO A 60 -0.790 1.555 -12.581 1.00 0.00 N ATOM 837 CA PRO A 60 -2.137 2.129 -12.511 1.00 0.00 C ATOM 838 C PRO A 60 -3.201 1.077 -12.218 1.00 0.00 C ATOM 839 O PRO A 60 -4.162 1.337 -11.494 1.00 0.00 O ATOM 840 CB PRO A 60 -2.343 2.724 -13.906 1.00 0.00 C ATOM 841 CG PRO A 60 -1.444 1.932 -14.792 1.00 0.00 C ATOM 842 CD PRO A 60 -0.251 1.567 -13.952 1.00 0.00 C ATOM 0 HA PRO A 60 -2.228 2.857 -11.705 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.383 2.642 -14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.086 3.783 -13.927 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.948 1.039 -15.162 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.144 2.513 -15.664 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.156 0.595 -14.232 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.554 2.293 -14.061 1.00 0.00 H new ATOM 850 N ARG A 61 -3.023 -0.112 -12.785 1.00 0.00 N ATOM 851 CA ARG A 61 -3.969 -1.203 -12.585 1.00 0.00 C ATOM 852 C ARG A 61 -3.607 -2.016 -11.345 1.00 0.00 C ATOM 853 O ARG A 61 -3.932 -3.200 -11.249 1.00 0.00 O ATOM 854 CB ARG A 61 -3.997 -2.113 -13.814 1.00 0.00 C ATOM 855 CG ARG A 61 -4.283 -1.375 -15.112 1.00 0.00 C ATOM 856 CD ARG A 61 -5.645 -0.701 -15.080 1.00 0.00 C ATOM 857 NE ARG A 61 -6.112 -0.348 -16.418 1.00 0.00 N ATOM 858 CZ ARG A 61 -7.310 0.171 -16.666 1.00 0.00 C ATOM 859 NH1 ARG A 61 -8.156 0.397 -15.671 1.00 0.00 N ATOM 860 NH2 ARG A 61 -7.662 0.466 -17.910 1.00 0.00 N ATOM 0 H ARG A 61 -2.232 -0.344 -13.386 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.959 -0.770 -12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.038 -2.623 -13.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.755 -2.882 -13.669 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.509 -0.627 -15.285 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.241 -2.075 -15.947 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.368 -1.366 -14.607 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.590 0.198 -14.466 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.484 -0.509 -17.206 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.888 0.173 -14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.075 0.795 -15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.013 0.295 -18.678 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.582 0.864 -18.099 1.00 0.00 H new ATOM 874 N LEU A 62 -2.932 -1.373 -10.399 1.00 0.00 N ATOM 875 CA LEU A 62 -2.525 -2.035 -9.164 1.00 0.00 C ATOM 876 C LEU A 62 -3.325 -1.512 -7.976 1.00 0.00 C ATOM 877 O LEU A 62 -3.633 -0.323 -7.897 1.00 0.00 O ATOM 878 CB LEU A 62 -1.030 -1.826 -8.919 1.00 0.00 C ATOM 879 CG LEU A 62 -0.527 -2.162 -7.514 1.00 0.00 C ATOM 880 CD1 LEU A 62 -0.589 -3.661 -7.269 1.00 0.00 C ATOM 881 CD2 LEU A 62 0.891 -1.646 -7.318 1.00 0.00 C ATOM 0 H LEU A 62 -2.655 -0.394 -10.463 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.724 -3.101 -9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.476 -2.432 -9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.790 -0.784 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.175 -1.669 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.227 -3.881 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.619 -4.003 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.035 -4.175 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.233 -1.894 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.551 -2.110 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.906 -0.564 -7.450 1.00 0.00 H new ATOM 893 N VAL A 63 -3.658 -2.408 -7.052 1.00 0.00 N ATOM 894 CA VAL A 63 -4.419 -2.037 -5.866 1.00 0.00 C ATOM 895 C VAL A 63 -3.534 -2.031 -4.624 1.00 0.00 C ATOM 896 O VAL A 63 -3.122 -3.084 -4.138 1.00 0.00 O ATOM 897 CB VAL A 63 -5.602 -2.996 -5.635 1.00 0.00 C ATOM 898 CG1 VAL A 63 -5.103 -4.418 -5.423 1.00 0.00 C ATOM 899 CG2 VAL A 63 -6.439 -2.534 -4.451 1.00 0.00 C ATOM 0 H VAL A 63 -3.412 -3.397 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.804 -1.032 -6.039 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.234 -2.987 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.953 -5.081 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.550 -4.745 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.449 -4.448 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.270 -3.223 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.820 -2.513 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.827 -1.535 -4.648 1.00 0.00 H new ATOM 909 N TRP A 64 -3.246 -0.838 -4.116 1.00 0.00 N ATOM 910 CA TRP A 64 -2.410 -0.695 -2.930 1.00 0.00 C ATOM 911 C TRP A 64 -3.262 -0.625 -1.668 1.00 0.00 C ATOM 912 O TRP A 64 -4.265 0.088 -1.624 1.00 0.00 O ATOM 913 CB TRP A 64 -1.540 0.559 -3.043 1.00 0.00 C ATOM 914 CG TRP A 64 -0.349 0.539 -2.133 1.00 0.00 C ATOM 915 CD1 TRP A 64 0.817 -0.146 -2.324 1.00 0.00 C ATOM 916 CD2 TRP A 64 -0.209 1.233 -0.889 1.00 0.00 C ATOM 917 NE1 TRP A 64 1.673 0.081 -1.274 1.00 0.00 N ATOM 918 CE2 TRP A 64 1.068 0.925 -0.381 1.00 0.00 C ATOM 919 CE3 TRP A 64 -1.037 2.088 -0.156 1.00 0.00 C ATOM 920 CZ2 TRP A 64 1.533 1.440 0.827 1.00 0.00 C ATOM 921 CZ3 TRP A 64 -0.574 2.598 1.042 1.00 0.00 C ATOM 922 CH2 TRP A 64 0.701 2.274 1.523 1.00 0.00 C ATOM 0 H TRP A 64 -3.579 0.044 -4.507 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.766 -1.572 -2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.200 0.665 -4.073 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.147 1.435 -2.816 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.034 -0.774 -3.175 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.608 -0.315 -1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.021 2.345 -0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.515 1.190 1.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.206 3.258 1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.034 2.691 2.462 1.00 0.00 H new ATOM 933 N TYR A 65 -2.858 -1.369 -0.644 1.00 0.00 N ATOM 934 CA TYR A 65 -3.587 -1.392 0.618 1.00 0.00 C ATOM 935 C TYR A 65 -2.630 -1.286 1.802 1.00 0.00 C ATOM 936 O TYR A 65 -1.789 -2.160 2.015 1.00 0.00 O ATOM 937 CB TYR A 65 -4.414 -2.674 0.730 1.00 0.00 C ATOM 938 CG TYR A 65 -5.720 -2.620 -0.031 1.00 0.00 C ATOM 939 CD1 TYR A 65 -6.563 -1.521 0.075 1.00 0.00 C ATOM 940 CD2 TYR A 65 -6.110 -3.668 -0.856 1.00 0.00 C ATOM 941 CE1 TYR A 65 -7.757 -1.468 -0.618 1.00 0.00 C ATOM 942 CE2 TYR A 65 -7.301 -3.623 -1.553 1.00 0.00 C ATOM 943 CZ TYR A 65 -8.122 -2.521 -1.430 1.00 0.00 C ATOM 944 OH TYR A 65 -9.310 -2.471 -2.123 1.00 0.00 O ATOM 0 H TYR A 65 -2.030 -1.964 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.257 -0.532 0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.822 -3.512 0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.624 -2.871 1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.280 -0.694 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.470 -4.533 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.401 -0.606 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.588 -4.446 -2.191 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.417 -3.291 -2.649 1.00 0.00 H new ATOM 954 N CYS A 66 -2.765 -0.210 2.569 1.00 0.00 N ATOM 955 CA CYS A 66 -1.915 0.012 3.732 1.00 0.00 C ATOM 956 C CYS A 66 -2.088 -1.107 4.755 1.00 0.00 C ATOM 957 O CYS A 66 -3.189 -1.621 4.947 1.00 0.00 O ATOM 958 CB CYS A 66 -2.239 1.362 4.377 1.00 0.00 C ATOM 959 SG CYS A 66 -3.826 1.397 5.270 1.00 0.00 S ATOM 0 H CYS A 66 -3.456 0.523 2.406 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.878 0.016 3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.439 1.623 5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.253 2.129 3.602 1.00 0.00 H new ATOM 964 N ALA A 67 -0.992 -1.478 5.408 1.00 0.00 N ATOM 965 CA ALA A 67 -1.022 -2.534 6.413 1.00 0.00 C ATOM 966 C ALA A 67 -2.358 -2.554 7.148 1.00 0.00 C ATOM 967 O ALA A 67 -3.095 -3.538 7.089 1.00 0.00 O ATOM 968 CB ALA A 67 0.123 -2.358 7.399 1.00 0.00 C ATOM 0 H ALA A 67 -0.072 -1.063 5.259 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.903 -3.490 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.088 -3.154 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.073 -2.402 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.030 -1.392 7.896 1.00 0.00 H new ATOM 974 N ARG A 68 -2.663 -1.462 7.841 1.00 0.00 N ATOM 975 CA ARG A 68 -3.909 -1.355 8.589 1.00 0.00 C ATOM 976 C ARG A 68 -5.020 -2.153 7.913 1.00 0.00 C ATOM 977 O ARG A 68 -5.541 -3.115 8.479 1.00 0.00 O ATOM 978 CB ARG A 68 -4.327 0.111 8.719 1.00 0.00 C ATOM 979 CG ARG A 68 -3.803 0.784 9.977 1.00 0.00 C ATOM 980 CD ARG A 68 -4.763 1.851 10.480 1.00 0.00 C ATOM 981 NE ARG A 68 -4.343 2.404 11.765 1.00 0.00 N ATOM 982 CZ ARG A 68 -5.058 3.287 12.453 1.00 0.00 C ATOM 983 NH1 ARG A 68 -6.221 3.714 11.983 1.00 0.00 N ATOM 984 NH2 ARG A 68 -4.608 3.744 13.615 1.00 0.00 N ATOM 0 H ARG A 68 -2.064 -0.639 7.900 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.742 -1.768 9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.970 0.660 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.415 0.172 8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.650 0.035 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.832 1.234 9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.831 2.653 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.761 1.424 10.578 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.452 2.095 12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.570 3.365 11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.768 4.392 12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.713 3.417 13.980 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.157 4.422 14.143 1.00 0.00 H new ATOM 998 N CYS A 69 -5.377 -1.748 6.699 1.00 0.00 N ATOM 999 CA CYS A 69 -6.426 -2.424 5.945 1.00 0.00 C ATOM 1000 C CYS A 69 -6.031 -3.865 5.634 1.00 0.00 C ATOM 1001 O CYS A 69 -6.834 -4.787 5.779 1.00 0.00 O ATOM 1002 CB CYS A 69 -6.715 -1.671 4.645 1.00 0.00 C ATOM 1003 SG CYS A 69 -7.200 0.069 4.886 1.00 0.00 S ATOM 0 H CYS A 69 -4.955 -0.955 6.216 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.327 -2.437 6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.828 -1.706 4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.510 -2.188 4.107 1.00 0.00 H new ATOM 1008 N THR A 70 -4.786 -4.051 5.204 1.00 0.00 N ATOM 1009 CA THR A 70 -4.283 -5.378 4.872 1.00 0.00 C ATOM 1010 C THR A 70 -4.592 -6.377 5.981 1.00 0.00 C ATOM 1011 O THR A 70 -5.055 -7.487 5.718 1.00 0.00 O ATOM 1012 CB THR A 70 -2.763 -5.357 4.625 1.00 0.00 C ATOM 1013 OG1 THR A 70 -2.453 -4.455 3.556 1.00 0.00 O ATOM 1014 CG2 THR A 70 -2.250 -6.748 4.286 1.00 0.00 C ATOM 0 H THR A 70 -4.108 -3.299 5.078 1.00 0.00 H new ATOM 0 HA THR A 70 -4.788 -5.687 3.957 1.00 0.00 H new ATOM 0 HB THR A 70 -2.274 -5.020 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.619 -3.534 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.174 -6.708 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.461 -7.425 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.746 -7.109 3.385 1.00 0.00 H new ATOM 1022 N ARG A 71 -4.334 -5.976 7.221 1.00 0.00 N ATOM 1023 CA ARG A 71 -4.585 -6.837 8.370 1.00 0.00 C ATOM 1024 C ARG A 71 -6.079 -6.931 8.664 1.00 0.00 C ATOM 1025 O ARG A 71 -6.557 -7.942 9.178 1.00 0.00 O ATOM 1026 CB ARG A 71 -3.845 -6.310 9.601 1.00 0.00 C ATOM 1027 CG ARG A 71 -4.401 -4.998 10.130 1.00 0.00 C ATOM 1028 CD ARG A 71 -4.149 -4.847 11.622 1.00 0.00 C ATOM 1029 NE ARG A 71 -4.507 -3.517 12.106 1.00 0.00 N ATOM 1030 CZ ARG A 71 -4.363 -3.131 13.369 1.00 0.00 C ATOM 1031 NH1 ARG A 71 -3.871 -3.969 14.270 1.00 0.00 N ATOM 1032 NH2 ARG A 71 -4.712 -1.903 13.732 1.00 0.00 N ATOM 0 H ARG A 71 -3.951 -5.060 7.456 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.216 -7.834 8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.892 -7.060 10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.793 -6.175 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.942 -4.166 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.472 -4.950 9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.725 -5.597 12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.097 -5.038 11.833 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.889 -2.847 11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.602 -4.913 13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.762 -3.670 15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.091 -1.255 13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.601 -1.607 14.702 1.00 0.00 H new ATOM 1046 N GLN A 72 -6.810 -5.871 8.334 1.00 0.00 N ATOM 1047 CA GLN A 72 -8.249 -5.834 8.563 1.00 0.00 C ATOM 1048 C GLN A 72 -8.970 -6.831 7.662 1.00 0.00 C ATOM 1049 O GLN A 72 -9.591 -7.779 8.141 1.00 0.00 O ATOM 1050 CB GLN A 72 -8.790 -4.424 8.319 1.00 0.00 C ATOM 1051 CG GLN A 72 -8.474 -3.449 9.442 1.00 0.00 C ATOM 1052 CD GLN A 72 -9.180 -3.801 10.737 1.00 0.00 C ATOM 1053 OE1 GLN A 72 -8.859 -4.800 11.380 1.00 0.00 O ATOM 1054 NE2 GLN A 72 -10.148 -2.979 11.126 1.00 0.00 N ATOM 0 H GLN A 72 -6.429 -5.027 7.907 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.433 -6.111 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.374 -4.040 7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.871 -4.476 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.397 -3.433 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.763 -2.443 9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.381 -2.162 10.561 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.659 -3.165 11.989 1.00 0.00 H new ATOM 1063 N MET A 73 -8.882 -6.610 6.354 1.00 0.00 N ATOM 1064 CA MET A 73 -9.526 -7.490 5.386 1.00 0.00 C ATOM 1065 C MET A 73 -9.152 -8.946 5.643 1.00 0.00 C ATOM 1066 O MET A 73 -9.984 -9.844 5.509 1.00 0.00 O ATOM 1067 CB MET A 73 -9.130 -7.093 3.962 1.00 0.00 C ATOM 1068 CG MET A 73 -9.558 -5.685 3.582 1.00 0.00 C ATOM 1069 SD MET A 73 -9.422 -5.372 1.812 1.00 0.00 S ATOM 1070 CE MET A 73 -8.055 -4.216 1.776 1.00 0.00 C ATOM 0 H MET A 73 -8.371 -5.830 5.941 1.00 0.00 H new ATOM 0 HA MET A 73 -10.605 -7.385 5.498 1.00 0.00 H new ATOM 0 HB2 MET A 73 -8.048 -7.175 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 73 -9.572 -7.800 3.260 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.589 -5.525 3.897 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.944 -4.964 4.123 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.359 -3.309 1.254 1.00 0.00 H new ATOM 0 HE2 MET A 73 -7.763 -3.967 2.796 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.210 -4.668 1.256 1.00 0.00 H new ATOM 1080 N LYS A 74 -7.897 -9.174 6.012 1.00 0.00 N ATOM 1081 CA LYS A 74 -7.413 -10.522 6.289 1.00 0.00 C ATOM 1082 C LYS A 74 -7.904 -11.008 7.648 1.00 0.00 C ATOM 1083 O LYS A 74 -7.501 -10.485 8.688 1.00 0.00 O ATOM 1084 CB LYS A 74 -5.883 -10.555 6.246 1.00 0.00 C ATOM 1085 CG LYS A 74 -5.311 -10.410 4.846 1.00 0.00 C ATOM 1086 CD LYS A 74 -3.826 -10.090 4.882 1.00 0.00 C ATOM 1087 CE LYS A 74 -2.996 -11.328 5.181 1.00 0.00 C ATOM 1088 NZ LYS A 74 -1.569 -10.991 5.440 1.00 0.00 N ATOM 0 H LYS A 74 -7.195 -8.443 6.126 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.807 -11.188 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.493 -9.754 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.536 -11.495 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.472 -11.333 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.842 -9.620 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.520 -9.668 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.635 -9.331 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.411 -11.842 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.059 -12.019 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.037 -11.862 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.165 -10.523 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.506 -10.352 6.258 1.00 0.00 H new ATOM 1102 N ARG A 75 -8.775 -12.011 7.633 1.00 0.00 N ATOM 1103 CA ARG A 75 -9.321 -12.567 8.866 1.00 0.00 C ATOM 1104 C ARG A 75 -8.708 -13.933 9.164 1.00 0.00 C ATOM 1105 O ARG A 75 -8.256 -14.191 10.279 1.00 0.00 O ATOM 1106 CB ARG A 75 -10.843 -12.690 8.765 1.00 0.00 C ATOM 1107 CG ARG A 75 -11.311 -13.482 7.555 1.00 0.00 C ATOM 1108 CD ARG A 75 -12.826 -13.467 7.432 1.00 0.00 C ATOM 1109 NE ARG A 75 -13.449 -14.534 8.210 1.00 0.00 N ATOM 1110 CZ ARG A 75 -13.649 -15.762 7.744 1.00 0.00 C ATOM 1111 NH1 ARG A 75 -13.277 -16.076 6.511 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -14.222 -16.679 8.514 1.00 0.00 N ATOM 0 H ARG A 75 -9.118 -12.456 6.781 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.072 -11.890 9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.221 -13.167 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.278 -11.691 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.867 -13.064 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.961 -14.511 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.207 -12.503 7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.106 -13.572 6.384 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.747 -14.325 9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.836 -15.374 5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.432 -17.020 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.509 -16.441 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.376 -17.622 8.156 1.00 0.00 H new ATOM 1126 N MET A 76 -8.698 -14.803 8.159 1.00 0.00 N ATOM 1127 CA MET A 76 -8.140 -16.141 8.314 1.00 0.00 C ATOM 1128 C MET A 76 -6.808 -16.093 9.057 1.00 0.00 C ATOM 1129 O MET A 76 -6.394 -17.075 9.672 1.00 0.00 O ATOM 1130 CB MET A 76 -7.951 -16.800 6.946 1.00 0.00 C ATOM 1131 CG MET A 76 -9.255 -17.041 6.203 1.00 0.00 C ATOM 1132 SD MET A 76 -9.050 -17.007 4.412 1.00 0.00 S ATOM 1133 CE MET A 76 -9.653 -18.635 3.971 1.00 0.00 C ATOM 0 H MET A 76 -9.070 -14.605 7.230 1.00 0.00 H new ATOM 0 HA MET A 76 -8.842 -16.734 8.901 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.305 -16.170 6.334 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.436 -17.752 7.078 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.665 -18.007 6.500 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.981 -16.283 6.496 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.590 -18.766 2.891 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.046 -19.394 4.465 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.691 -18.737 4.289 1.00 0.00 H new ATOM 1143 N ALA A 77 -6.142 -14.944 8.994 1.00 0.00 N ATOM 1144 CA ALA A 77 -4.859 -14.768 9.661 1.00 0.00 C ATOM 1145 C ALA A 77 -4.031 -16.047 9.606 1.00 0.00 C ATOM 1146 O ALA A 77 -3.456 -16.469 10.609 1.00 0.00 O ATOM 1147 CB ALA A 77 -5.069 -14.336 11.105 1.00 0.00 C ATOM 0 H ALA A 77 -6.471 -14.122 8.488 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.309 -13.987 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.102 -14.208 11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.613 -13.392 11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.643 -15.098 11.633 1.00 0.00 H new ATOM 1153 N GLN A 78 -3.975 -16.659 8.427 1.00 0.00 N ATOM 1154 CA GLN A 78 -3.217 -17.892 8.242 1.00 0.00 C ATOM 1155 C GLN A 78 -1.735 -17.668 8.524 1.00 0.00 C ATOM 1156 O GLN A 78 -0.921 -17.592 7.604 1.00 0.00 O ATOM 1157 CB GLN A 78 -3.403 -18.421 6.819 1.00 0.00 C ATOM 1158 CG GLN A 78 -4.833 -18.833 6.505 1.00 0.00 C ATOM 1159 CD GLN A 78 -5.055 -19.089 5.028 1.00 0.00 C ATOM 1160 OE1 GLN A 78 -5.504 -20.165 4.633 1.00 0.00 O ATOM 1161 NE2 GLN A 78 -4.741 -18.098 4.201 1.00 0.00 N ATOM 0 H GLN A 78 -4.445 -16.322 7.587 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.595 -18.630 8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.091 -17.653 6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.746 -19.278 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.079 -19.734 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.514 -18.051 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.372 -17.222 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.869 -18.213 3.196 1.00 0.00 H new ATOM 1170 N LYS A 79 -1.391 -17.561 9.803 1.00 0.00 N ATOM 1171 CA LYS A 79 -0.007 -17.347 10.209 1.00 0.00 C ATOM 1172 C LYS A 79 0.497 -18.508 11.060 1.00 0.00 C ATOM 1173 O LYS A 79 -0.246 -19.444 11.351 1.00 0.00 O ATOM 1174 CB LYS A 79 0.120 -16.036 10.988 1.00 0.00 C ATOM 1175 CG LYS A 79 0.192 -14.805 10.101 1.00 0.00 C ATOM 1176 CD LYS A 79 -1.193 -14.276 9.768 1.00 0.00 C ATOM 1177 CE LYS A 79 -1.127 -13.125 8.777 1.00 0.00 C ATOM 1178 NZ LYS A 79 -0.808 -11.834 9.447 1.00 0.00 N ATOM 0 H LYS A 79 -2.053 -17.619 10.577 1.00 0.00 H new ATOM 0 HA LYS A 79 0.605 -17.288 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.732 -15.939 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.014 -16.078 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.769 -14.028 10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.720 -15.050 9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.801 -15.080 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.686 -13.943 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.371 -13.339 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.081 -13.038 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.772 -11.074 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.543 -11.617 10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.114 -11.908 9.922 1.00 0.00 H new ATOM 1192 N ASN A 80 1.764 -18.439 11.456 1.00 0.00 N ATOM 1193 CA ASN A 80 2.366 -19.484 12.275 1.00 0.00 C ATOM 1194 C ASN A 80 2.643 -18.977 13.687 1.00 0.00 C ATOM 1195 O ASN A 80 3.651 -18.315 13.933 1.00 0.00 O ATOM 1196 CB ASN A 80 3.665 -19.978 11.635 1.00 0.00 C ATOM 1197 CG ASN A 80 4.454 -18.855 10.988 1.00 0.00 C ATOM 1198 OD1 ASN A 80 5.193 -18.134 11.659 1.00 0.00 O ATOM 1199 ND2 ASN A 80 4.300 -18.702 9.678 1.00 0.00 N ATOM 0 H ASN A 80 2.393 -17.671 11.223 1.00 0.00 H new ATOM 0 HA ASN A 80 1.661 -20.313 12.337 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.281 -20.460 12.394 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.433 -20.734 10.885 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.805 -17.964 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.677 -19.323 9.162 1.00 0.00 H new ATOM 1206 N GLN A 81 1.742 -19.294 14.611 1.00 0.00 N ATOM 1207 CA GLN A 81 1.889 -18.870 15.999 1.00 0.00 C ATOM 1208 C GLN A 81 1.873 -20.071 16.939 1.00 0.00 C ATOM 1209 O GLN A 81 1.106 -21.014 16.746 1.00 0.00 O ATOM 1210 CB GLN A 81 0.773 -17.895 16.378 1.00 0.00 C ATOM 1211 CG GLN A 81 0.665 -16.701 15.444 1.00 0.00 C ATOM 1212 CD GLN A 81 1.858 -15.771 15.545 1.00 0.00 C ATOM 1213 OE1 GLN A 81 2.832 -16.066 16.238 1.00 0.00 O ATOM 1214 NE2 GLN A 81 1.788 -14.640 14.853 1.00 0.00 N ATOM 0 H GLN A 81 0.903 -19.843 14.424 1.00 0.00 H new ATOM 0 HA GLN A 81 2.850 -18.366 16.099 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.178 -18.428 16.384 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.944 -17.537 17.393 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.571 -17.055 14.417 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.244 -16.146 15.674 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.961 -14.436 14.292 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.561 -13.975 14.883 1.00 0.00 H new ATOM 1223 N LYS A 82 2.726 -20.029 17.958 1.00 0.00 N ATOM 1224 CA LYS A 82 2.810 -21.113 18.930 1.00 0.00 C ATOM 1225 C LYS A 82 3.311 -20.598 20.275 1.00 0.00 C ATOM 1226 O LYS A 82 4.063 -19.626 20.338 1.00 0.00 O ATOM 1227 CB LYS A 82 3.738 -22.216 18.415 1.00 0.00 C ATOM 1228 CG LYS A 82 4.013 -23.305 19.438 1.00 0.00 C ATOM 1229 CD LYS A 82 2.833 -24.252 19.574 1.00 0.00 C ATOM 1230 CE LYS A 82 3.225 -25.530 20.301 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.046 -26.398 20.571 1.00 0.00 N ATOM 0 H LYS A 82 3.369 -19.256 18.132 1.00 0.00 H new ATOM 0 HA LYS A 82 1.810 -21.524 19.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.295 -22.667 17.527 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.684 -21.770 18.108 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.900 -23.867 19.144 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.230 -22.851 20.405 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.028 -23.756 20.116 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.447 -24.499 18.585 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.951 -26.080 19.703 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.713 -25.277 21.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.355 -27.258 21.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.364 -25.883 21.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.595 -26.660 19.671 1.00 0.00 H new ATOM 1245 N SER A 83 2.891 -21.258 21.350 1.00 0.00 N ATOM 1246 CA SER A 83 3.296 -20.866 22.695 1.00 0.00 C ATOM 1247 C SER A 83 3.194 -19.354 22.873 1.00 0.00 C ATOM 1248 O SER A 83 4.091 -18.722 23.430 1.00 0.00 O ATOM 1249 CB SER A 83 4.726 -21.330 22.975 1.00 0.00 C ATOM 1250 OG SER A 83 5.669 -20.504 22.313 1.00 0.00 O ATOM 0 H SER A 83 2.270 -22.067 21.316 1.00 0.00 H new ATOM 0 HA SER A 83 2.622 -21.344 23.406 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.914 -21.313 24.049 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.848 -22.362 22.646 1.00 0.00 H new ATOM 0 HG SER A 83 5.217 -19.987 21.614 1.00 0.00 H new ATOM 1256 N GLY A 84 2.094 -18.781 22.396 1.00 0.00 N ATOM 1257 CA GLY A 84 1.894 -17.348 22.512 1.00 0.00 C ATOM 1258 C GLY A 84 0.680 -16.997 23.349 1.00 0.00 C ATOM 1259 O GLY A 84 -0.350 -16.561 22.835 1.00 0.00 O ATOM 0 H GLY A 84 1.337 -19.283 21.931 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.781 -16.895 22.956 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.782 -16.918 21.517 1.00 0.00 H new ATOM 1263 N PRO A 85 0.793 -17.190 24.672 1.00 0.00 N ATOM 1264 CA PRO A 85 -0.295 -16.899 25.610 1.00 0.00 C ATOM 1265 C PRO A 85 -0.553 -15.403 25.751 1.00 0.00 C ATOM 1266 O PRO A 85 0.229 -14.581 25.274 1.00 0.00 O ATOM 1267 CB PRO A 85 0.211 -17.482 26.932 1.00 0.00 C ATOM 1268 CG PRO A 85 1.696 -17.469 26.808 1.00 0.00 C ATOM 1269 CD PRO A 85 1.992 -17.708 25.353 1.00 0.00 C ATOM 0 HA PRO A 85 -1.244 -17.321 25.278 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.121 -16.884 27.781 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.164 -18.493 27.088 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.107 -16.515 27.138 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.146 -18.242 27.430 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.893 -17.184 25.035 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.148 -18.766 25.143 1.00 0.00 H new ATOM 1277 N SER A 86 -1.654 -15.057 26.410 1.00 0.00 N ATOM 1278 CA SER A 86 -2.017 -13.659 26.612 1.00 0.00 C ATOM 1279 C SER A 86 -1.790 -13.242 28.062 1.00 0.00 C ATOM 1280 O SER A 86 -2.676 -13.380 28.905 1.00 0.00 O ATOM 1281 CB SER A 86 -3.480 -13.429 26.227 1.00 0.00 C ATOM 1282 OG SER A 86 -3.889 -12.110 26.543 1.00 0.00 O ATOM 0 H SER A 86 -2.310 -15.726 26.813 1.00 0.00 H new ATOM 0 HA SER A 86 -1.380 -13.048 25.973 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.611 -13.608 25.160 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.114 -14.145 26.750 1.00 0.00 H new ATOM 0 HG SER A 86 -4.827 -11.988 26.286 1.00 0.00 H new ATOM 1288 N SER A 87 -0.595 -12.732 28.344 1.00 0.00 N ATOM 1289 CA SER A 87 -0.248 -12.298 29.692 1.00 0.00 C ATOM 1290 C SER A 87 0.309 -10.878 29.679 1.00 0.00 C ATOM 1291 O SER A 87 1.240 -10.571 28.936 1.00 0.00 O ATOM 1292 CB SER A 87 0.774 -13.254 30.311 1.00 0.00 C ATOM 1293 OG SER A 87 0.142 -14.414 30.824 1.00 0.00 O ATOM 0 H SER A 87 0.149 -12.609 27.657 1.00 0.00 H new ATOM 0 HA SER A 87 -1.156 -12.308 30.295 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.511 -13.539 29.560 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.314 -12.746 31.110 1.00 0.00 H new ATOM 0 HG SER A 87 0.817 -15.009 31.212 1.00 0.00 H new ATOM 1299 N GLY A 88 -0.269 -10.014 30.509 1.00 0.00 N ATOM 1300 CA GLY A 88 0.182 -8.637 30.578 1.00 0.00 C ATOM 1301 C GLY A 88 -0.145 -7.856 29.320 1.00 0.00 C ATOM 1302 O GLY A 88 0.670 -7.836 28.399 1.00 0.00 O ATOM 0 H GLY A 88 -1.041 -10.244 31.134 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.281 -8.149 31.436 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.259 -8.619 30.744 1.00 0.00 H new TER 1306 GLY A 88 HETATM 1307 ZN ZN A 201 5.761 10.344 5.705 1.00 0.00 ZN HETATM 1308 ZN ZN A 401 -5.719 1.586 3.946 1.00 0.00 ZN