USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -138:sc= 0.27 (180deg=-0.0925) USER MOD Set 2.2: A 52 TYR OH : rot -177:sc= -0.0832 USER MOD Set 2.3: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 CYS SG : rot -107:sc= -0.642 USER MOD Set 3.2: A 56 GLN : amide:sc=-0.00344 K(o=-1,f=-3.3!) USER MOD Set 3.3: A 61 CYS SG : rot 130:sc= -0.706 USER MOD Set 3.4: A 78 CYS SG : rot 107:sc= 0.302 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 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 11 THR OG1 : rot -41:sc= 0.0447 USER MOD Single : A 16 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.13) USER MOD Single : A 20 MET CE :methyl -162:sc= -1.97! (180deg=-3.17!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -57:sc= 0.0554! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= 0.00247 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 66 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-1.2) USER MOD Single : A 70 MET CE :methyl 166:sc= -1.59 (180deg=-2.44) USER MOD Single : A 73 ASN : amide:sc= -6.13! C(o=-6.1!,f=-8.4!) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.164 USER MOD Single : A 82 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.9) USER MOD Single : A 85 THR OG1 : rot 140:sc= 0.00173 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.963 22.584 -12.707 1.00 0.00 N ATOM 2 CA GLY A 1 13.203 23.980 -12.389 1.00 0.00 C ATOM 3 C GLY A 1 12.634 24.918 -13.435 1.00 0.00 C ATOM 4 O GLY A 1 13.332 25.804 -13.928 1.00 0.00 O ATOM 0 H1 GLY A 1 13.371 21.983 -11.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.939 22.413 -12.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.407 22.354 -13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.761 24.210 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.276 24.150 -12.298 1.00 0.00 H new ATOM 8 N SER A 2 11.365 24.723 -13.776 1.00 0.00 N ATOM 9 CA SER A 2 10.705 25.556 -14.774 1.00 0.00 C ATOM 10 C SER A 2 9.937 26.695 -14.110 1.00 0.00 C ATOM 11 O SER A 2 10.074 27.857 -14.492 1.00 0.00 O ATOM 12 CB SER A 2 9.753 24.712 -15.625 1.00 0.00 C ATOM 13 OG SER A 2 9.125 25.500 -16.621 1.00 0.00 O ATOM 0 H SER A 2 10.773 23.995 -13.376 1.00 0.00 H new ATOM 0 HA SER A 2 11.473 25.986 -15.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.305 23.898 -16.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.996 24.257 -14.986 1.00 0.00 H new ATOM 0 HG SER A 2 8.523 24.938 -17.152 1.00 0.00 H new ATOM 19 N SER A 3 9.127 26.352 -13.113 1.00 0.00 N ATOM 20 CA SER A 3 8.333 27.344 -12.397 1.00 0.00 C ATOM 21 C SER A 3 8.461 27.155 -10.889 1.00 0.00 C ATOM 22 O SER A 3 8.651 28.117 -10.145 1.00 0.00 O ATOM 23 CB SER A 3 6.864 27.248 -12.813 1.00 0.00 C ATOM 24 OG SER A 3 6.689 27.643 -14.162 1.00 0.00 O ATOM 0 H SER A 3 9.003 25.395 -12.783 1.00 0.00 H new ATOM 0 HA SER A 3 8.712 28.333 -12.655 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.512 26.225 -12.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.257 27.880 -12.164 1.00 0.00 H new ATOM 0 HG SER A 3 5.742 27.571 -14.404 1.00 0.00 H new ATOM 30 N GLY A 4 8.354 25.907 -10.443 1.00 0.00 N ATOM 31 CA GLY A 4 8.459 25.613 -9.026 1.00 0.00 C ATOM 32 C GLY A 4 9.075 24.254 -8.760 1.00 0.00 C ATOM 33 O GLY A 4 9.043 23.371 -9.617 1.00 0.00 O ATOM 0 H GLY A 4 8.196 25.094 -11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.061 26.382 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.467 25.654 -8.575 1.00 0.00 H new ATOM 37 N SER A 5 9.639 24.085 -7.568 1.00 0.00 N ATOM 38 CA SER A 5 10.270 22.825 -7.193 1.00 0.00 C ATOM 39 C SER A 5 9.356 21.645 -7.507 1.00 0.00 C ATOM 40 O SER A 5 8.160 21.678 -7.218 1.00 0.00 O ATOM 41 CB SER A 5 10.623 22.830 -5.704 1.00 0.00 C ATOM 42 OG SER A 5 11.762 23.635 -5.453 1.00 0.00 O ATOM 0 H SER A 5 9.672 24.805 -6.846 1.00 0.00 H new ATOM 0 HA SER A 5 11.185 22.718 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.776 23.202 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.813 21.810 -5.369 1.00 0.00 H new ATOM 0 HG SER A 5 11.966 23.623 -4.495 1.00 0.00 H new ATOM 48 N SER A 6 9.929 20.602 -8.101 1.00 0.00 N ATOM 49 CA SER A 6 9.166 19.412 -8.458 1.00 0.00 C ATOM 50 C SER A 6 9.452 18.272 -7.486 1.00 0.00 C ATOM 51 O SER A 6 10.607 17.954 -7.206 1.00 0.00 O ATOM 52 CB SER A 6 9.500 18.976 -9.886 1.00 0.00 C ATOM 53 OG SER A 6 8.874 17.744 -10.202 1.00 0.00 O ATOM 0 H SER A 6 10.918 20.558 -8.345 1.00 0.00 H new ATOM 0 HA SER A 6 8.106 19.659 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.176 19.743 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.580 18.878 -9.997 1.00 0.00 H new ATOM 0 HG SER A 6 9.101 17.488 -11.120 1.00 0.00 H new ATOM 59 N GLY A 7 8.388 17.659 -6.973 1.00 0.00 N ATOM 60 CA GLY A 7 8.545 16.560 -6.038 1.00 0.00 C ATOM 61 C GLY A 7 7.895 16.843 -4.698 1.00 0.00 C ATOM 62 O GLY A 7 7.806 17.996 -4.275 1.00 0.00 O ATOM 0 H GLY A 7 7.422 17.904 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.110 15.657 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.607 16.362 -5.889 1.00 0.00 H new ATOM 66 N ALA A 8 7.439 15.790 -4.028 1.00 0.00 N ATOM 67 CA ALA A 8 6.795 15.930 -2.729 1.00 0.00 C ATOM 68 C ALA A 8 7.522 15.115 -1.664 1.00 0.00 C ATOM 69 O ALA A 8 8.461 14.379 -1.967 1.00 0.00 O ATOM 70 CB ALA A 8 5.336 15.508 -2.814 1.00 0.00 C ATOM 0 H ALA A 8 7.504 14.829 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 8 6.842 16.980 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.868 15.618 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.817 16.137 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.276 14.466 -3.130 1.00 0.00 H new ATOM 76 N ARG A 9 7.082 15.253 -0.418 1.00 0.00 N ATOM 77 CA ARG A 9 7.693 14.530 0.692 1.00 0.00 C ATOM 78 C ARG A 9 6.636 13.788 1.504 1.00 0.00 C ATOM 79 O ARG A 9 5.523 14.280 1.692 1.00 0.00 O ATOM 80 CB ARG A 9 8.462 15.495 1.595 1.00 0.00 C ATOM 81 CG ARG A 9 7.565 16.423 2.399 1.00 0.00 C ATOM 82 CD ARG A 9 8.353 17.184 3.453 1.00 0.00 C ATOM 83 NE ARG A 9 7.479 17.890 4.386 1.00 0.00 N ATOM 84 CZ ARG A 9 7.920 18.736 5.310 1.00 0.00 C ATOM 85 NH1 ARG A 9 9.218 18.981 5.423 1.00 0.00 N ATOM 86 NH2 ARG A 9 7.063 19.339 6.123 1.00 0.00 N ATOM 0 H ARG A 9 6.305 15.858 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 9 8.388 13.799 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.084 14.920 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.135 16.095 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.076 17.129 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.778 15.843 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.986 16.489 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.015 17.899 2.965 1.00 0.00 H new ATOM 0 HE ARG A 9 6.474 17.724 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.880 18.519 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.554 19.631 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.064 19.153 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.403 19.988 6.832 1.00 0.00 H new ATOM 100 N PHE A 10 6.991 12.601 1.985 1.00 0.00 N ATOM 101 CA PHE A 10 6.073 11.790 2.776 1.00 0.00 C ATOM 102 C PHE A 10 5.832 12.421 4.145 1.00 0.00 C ATOM 103 O PHE A 10 6.723 12.449 4.995 1.00 0.00 O ATOM 104 CB PHE A 10 6.627 10.374 2.945 1.00 0.00 C ATOM 105 CG PHE A 10 6.577 9.557 1.686 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.380 9.018 1.241 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.727 9.327 0.948 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.332 8.265 0.083 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.685 8.575 -0.211 1.00 0.00 C ATOM 110 CZ PHE A 10 6.486 8.044 -0.645 1.00 0.00 C ATOM 0 H PHE A 10 7.908 12.179 1.841 1.00 0.00 H new ATOM 0 HA PHE A 10 5.122 11.740 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.660 10.435 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.062 9.862 3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.475 9.188 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.667 9.740 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.393 7.850 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.589 8.403 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.450 7.457 -1.551 1.00 0.00 H new ATOM 120 N THR A 11 4.621 12.928 4.351 1.00 0.00 N ATOM 121 CA THR A 11 4.261 13.560 5.614 1.00 0.00 C ATOM 122 C THR A 11 3.483 12.601 6.507 1.00 0.00 C ATOM 123 O THR A 11 3.328 12.841 7.703 1.00 0.00 O ATOM 124 CB THR A 11 3.420 14.830 5.387 1.00 0.00 C ATOM 125 OG1 THR A 11 3.428 15.641 6.567 1.00 0.00 O ATOM 126 CG2 THR A 11 1.987 14.472 5.022 1.00 0.00 C ATOM 0 H THR A 11 3.872 12.913 3.659 1.00 0.00 H new ATOM 0 HA THR A 11 5.194 13.834 6.107 1.00 0.00 H new ATOM 0 HB THR A 11 3.861 15.388 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.350 15.068 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.412 15.385 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.982 13.880 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.539 13.895 5.831 1.00 0.00 H new ATOM 134 N GLU A 12 2.996 11.514 5.917 1.00 0.00 N ATOM 135 CA GLU A 12 2.233 10.519 6.661 1.00 0.00 C ATOM 136 C GLU A 12 2.969 9.182 6.694 1.00 0.00 C ATOM 137 O GLU A 12 3.019 8.515 7.726 1.00 0.00 O ATOM 138 CB GLU A 12 0.847 10.335 6.038 1.00 0.00 C ATOM 139 CG GLU A 12 -0.203 11.277 6.602 1.00 0.00 C ATOM 140 CD GLU A 12 -0.380 11.123 8.100 1.00 0.00 C ATOM 141 OE1 GLU A 12 -0.469 9.970 8.571 1.00 0.00 O ATOM 142 OE2 GLU A 12 -0.429 12.156 8.801 1.00 0.00 O ATOM 0 H GLU A 12 3.116 11.300 4.927 1.00 0.00 H new ATOM 0 HA GLU A 12 2.119 10.877 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.919 10.487 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.522 9.306 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.079 12.306 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.156 11.092 6.106 1.00 0.00 H new ATOM 149 N GLY A 13 3.538 8.798 5.555 1.00 0.00 N ATOM 150 CA GLY A 13 4.263 7.543 5.475 1.00 0.00 C ATOM 151 C GLY A 13 3.350 6.338 5.591 1.00 0.00 C ATOM 152 O GLY A 13 2.293 6.409 6.219 1.00 0.00 O ATOM 0 H GLY A 13 3.510 9.333 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.801 7.497 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.010 7.507 6.268 1.00 0.00 H new ATOM 156 N LEU A 14 3.757 5.230 4.982 1.00 0.00 N ATOM 157 CA LEU A 14 2.968 4.003 5.018 1.00 0.00 C ATOM 158 C LEU A 14 2.827 3.488 6.447 1.00 0.00 C ATOM 159 O LEU A 14 3.573 3.892 7.339 1.00 0.00 O ATOM 160 CB LEU A 14 3.614 2.932 4.138 1.00 0.00 C ATOM 161 CG LEU A 14 3.342 3.042 2.637 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.266 2.118 1.858 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.885 2.723 2.334 1.00 0.00 C ATOM 0 H LEU A 14 4.629 5.156 4.457 1.00 0.00 H new ATOM 0 HA LEU A 14 1.973 4.228 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.692 2.963 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.271 1.955 4.478 1.00 0.00 H new ATOM 0 HG LEU A 14 3.541 4.067 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.058 2.210 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.303 2.394 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.100 1.088 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.710 2.806 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.659 1.708 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.241 3.426 2.862 1.00 0.00 H new ATOM 175 N ARG A 15 1.868 2.592 6.655 1.00 0.00 N ATOM 176 CA ARG A 15 1.631 2.020 7.975 1.00 0.00 C ATOM 177 C ARG A 15 1.476 0.504 7.891 1.00 0.00 C ATOM 178 O ARG A 15 1.142 -0.038 6.839 1.00 0.00 O ATOM 179 CB ARG A 15 0.381 2.637 8.604 1.00 0.00 C ATOM 180 CG ARG A 15 0.611 4.023 9.184 1.00 0.00 C ATOM 181 CD ARG A 15 -0.685 4.642 9.682 1.00 0.00 C ATOM 182 NE ARG A 15 -1.042 4.166 11.016 1.00 0.00 N ATOM 183 CZ ARG A 15 -1.989 4.720 11.765 1.00 0.00 C ATOM 184 NH1 ARG A 15 -2.671 5.763 11.313 1.00 0.00 N ATOM 185 NH2 ARG A 15 -2.255 4.229 12.969 1.00 0.00 N ATOM 0 H ARG A 15 1.243 2.247 5.927 1.00 0.00 H new ATOM 0 HA ARG A 15 2.494 2.245 8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.404 2.694 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.019 1.978 9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.325 3.961 10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.055 4.667 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.585 5.727 9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.490 4.407 8.986 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.536 3.364 11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.469 6.142 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.398 6.186 11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.732 3.426 13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.982 4.654 13.544 1.00 0.00 H new ATOM 199 N ASN A 16 1.721 -0.173 9.008 1.00 0.00 N ATOM 200 CA ASN A 16 1.610 -1.626 9.060 1.00 0.00 C ATOM 201 C ASN A 16 0.235 -2.084 8.582 1.00 0.00 C ATOM 202 O ASN A 16 -0.788 -1.531 8.983 1.00 0.00 O ATOM 203 CB ASN A 16 1.859 -2.127 10.485 1.00 0.00 C ATOM 204 CG ASN A 16 1.176 -1.264 11.528 1.00 0.00 C ATOM 205 OD1 ASN A 16 -0.047 -1.292 11.670 1.00 0.00 O ATOM 206 ND2 ASN A 16 1.965 -0.491 12.265 1.00 0.00 N ATOM 0 H ASN A 16 1.998 0.261 9.889 1.00 0.00 H new ATOM 0 HA ASN A 16 2.365 -2.047 8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.501 -3.153 10.575 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.932 -2.146 10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.562 0.111 12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.974 -0.500 12.113 1.00 0.00 H new ATOM 213 N GLU A 17 0.222 -3.098 7.722 1.00 0.00 N ATOM 214 CA GLU A 17 -1.027 -3.630 7.189 1.00 0.00 C ATOM 215 C GLU A 17 -1.120 -5.135 7.420 1.00 0.00 C ATOM 216 O GLU A 17 -0.114 -5.843 7.379 1.00 0.00 O ATOM 217 CB GLU A 17 -1.140 -3.324 5.694 1.00 0.00 C ATOM 218 CG GLU A 17 -2.562 -3.395 5.164 1.00 0.00 C ATOM 219 CD GLU A 17 -3.382 -2.172 5.529 1.00 0.00 C ATOM 220 OE1 GLU A 17 -2.782 -1.100 5.752 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.624 -2.288 5.590 1.00 0.00 O ATOM 0 H GLU A 17 1.061 -3.567 7.380 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.851 -3.148 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.740 -2.328 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.519 -4.028 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.537 -3.501 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.049 -4.286 5.560 1.00 0.00 H new ATOM 228 N GLU A 18 -2.335 -5.617 7.662 1.00 0.00 N ATOM 229 CA GLU A 18 -2.559 -7.038 7.901 1.00 0.00 C ATOM 230 C GLU A 18 -3.822 -7.517 7.191 1.00 0.00 C ATOM 231 O GLU A 18 -4.867 -6.872 7.259 1.00 0.00 O ATOM 232 CB GLU A 18 -2.670 -7.314 9.402 1.00 0.00 C ATOM 233 CG GLU A 18 -1.338 -7.625 10.064 1.00 0.00 C ATOM 234 CD GLU A 18 -1.306 -7.228 11.527 1.00 0.00 C ATOM 235 OE1 GLU A 18 -2.320 -7.444 12.223 1.00 0.00 O ATOM 236 OE2 GLU A 18 -0.267 -6.701 11.976 1.00 0.00 O ATOM 0 H GLU A 18 -3.179 -5.045 7.698 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.707 -7.586 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.115 -6.447 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.349 -8.152 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.134 -8.692 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.542 -7.103 9.533 1.00 0.00 H new ATOM 243 N ALA A 19 -3.715 -8.652 6.508 1.00 0.00 N ATOM 244 CA ALA A 19 -4.847 -9.219 5.786 1.00 0.00 C ATOM 245 C ALA A 19 -4.781 -10.742 5.768 1.00 0.00 C ATOM 246 O ALA A 19 -3.742 -11.331 6.069 1.00 0.00 O ATOM 247 CB ALA A 19 -4.894 -8.674 4.366 1.00 0.00 C ATOM 0 H ALA A 19 -2.856 -9.197 6.440 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.760 -8.928 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.744 -9.106 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.998 -7.589 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.973 -8.936 3.845 1.00 0.00 H new ATOM 253 N MET A 20 -5.894 -11.375 5.414 1.00 0.00 N ATOM 254 CA MET A 20 -5.961 -12.830 5.357 1.00 0.00 C ATOM 255 C MET A 20 -5.548 -13.340 3.980 1.00 0.00 C ATOM 256 O MET A 20 -5.305 -12.554 3.065 1.00 0.00 O ATOM 257 CB MET A 20 -7.375 -13.311 5.689 1.00 0.00 C ATOM 258 CG MET A 20 -7.604 -13.549 7.172 1.00 0.00 C ATOM 259 SD MET A 20 -8.880 -14.783 7.489 1.00 0.00 S ATOM 260 CE MET A 20 -7.880 -16.192 7.960 1.00 0.00 C ATOM 0 H MET A 20 -6.762 -10.903 5.162 1.00 0.00 H new ATOM 0 HA MET A 20 -5.267 -13.229 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.094 -12.573 5.333 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.572 -14.236 5.146 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.670 -13.871 7.633 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.886 -12.610 7.647 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.473 -17.103 7.877 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.015 -16.261 7.300 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.543 -16.071 8.989 1.00 0.00 H new ATOM 270 N GLU A 21 -5.471 -14.660 3.841 1.00 0.00 N ATOM 271 CA GLU A 21 -5.086 -15.272 2.575 1.00 0.00 C ATOM 272 C GLU A 21 -6.188 -15.106 1.532 1.00 0.00 C ATOM 273 O GLU A 21 -7.369 -15.280 1.828 1.00 0.00 O ATOM 274 CB GLU A 21 -4.778 -16.758 2.774 1.00 0.00 C ATOM 275 CG GLU A 21 -4.809 -17.564 1.487 1.00 0.00 C ATOM 276 CD GLU A 21 -4.678 -19.055 1.729 1.00 0.00 C ATOM 277 OE1 GLU A 21 -3.605 -19.489 2.198 1.00 0.00 O ATOM 278 OE2 GLU A 21 -5.650 -19.788 1.449 1.00 0.00 O ATOM 0 H GLU A 21 -5.670 -15.325 4.588 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.190 -14.767 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.794 -16.858 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.500 -17.179 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.743 -17.366 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.000 -17.233 0.836 1.00 0.00 H new ATOM 285 N GLY A 22 -5.791 -14.765 0.309 1.00 0.00 N ATOM 286 CA GLY A 22 -6.756 -14.580 -0.758 1.00 0.00 C ATOM 287 C GLY A 22 -7.561 -13.305 -0.597 1.00 0.00 C ATOM 288 O GLY A 22 -8.438 -13.011 -1.409 1.00 0.00 O ATOM 0 H GLY A 22 -4.819 -14.614 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.235 -14.559 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.434 -15.433 -0.783 1.00 0.00 H new ATOM 292 N ALA A 23 -7.264 -12.549 0.454 1.00 0.00 N ATOM 293 CA ALA A 23 -7.967 -11.299 0.719 1.00 0.00 C ATOM 294 C ALA A 23 -7.469 -10.186 -0.197 1.00 0.00 C ATOM 295 O ALA A 23 -6.595 -10.401 -1.036 1.00 0.00 O ATOM 296 CB ALA A 23 -7.801 -10.900 2.177 1.00 0.00 C ATOM 0 H ALA A 23 -6.542 -12.780 1.136 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.026 -11.455 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.331 -9.965 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.211 -11.681 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.742 -10.767 2.400 1.00 0.00 H new ATOM 302 N THR A 24 -8.033 -8.993 -0.030 1.00 0.00 N ATOM 303 CA THR A 24 -7.648 -7.846 -0.843 1.00 0.00 C ATOM 304 C THR A 24 -7.044 -6.741 0.017 1.00 0.00 C ATOM 305 O THR A 24 -7.757 -5.876 0.524 1.00 0.00 O ATOM 306 CB THR A 24 -8.852 -7.277 -1.617 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.453 -8.305 -2.413 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.424 -6.122 -2.510 1.00 0.00 C ATOM 0 H THR A 24 -8.757 -8.797 0.661 1.00 0.00 H new ATOM 0 HA THR A 24 -6.901 -8.199 -1.554 1.00 0.00 H new ATOM 0 HB THR A 24 -9.579 -6.907 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.219 -7.936 -2.901 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.291 -5.736 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.994 -5.329 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.680 -6.472 -3.226 1.00 0.00 H new ATOM 316 N ALA A 25 -5.725 -6.777 0.177 1.00 0.00 N ATOM 317 CA ALA A 25 -5.025 -5.777 0.973 1.00 0.00 C ATOM 318 C ALA A 25 -5.339 -4.367 0.484 1.00 0.00 C ATOM 319 O ALA A 25 -6.040 -4.186 -0.513 1.00 0.00 O ATOM 320 CB ALA A 25 -3.525 -6.029 0.935 1.00 0.00 C ATOM 0 H ALA A 25 -5.120 -7.488 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.371 -5.861 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.014 -5.275 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.312 -7.019 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.173 -5.974 -0.095 1.00 0.00 H new ATOM 326 N THR A 26 -4.817 -3.370 1.191 1.00 0.00 N ATOM 327 CA THR A 26 -5.044 -1.977 0.830 1.00 0.00 C ATOM 328 C THR A 26 -4.115 -1.050 1.607 1.00 0.00 C ATOM 329 O THR A 26 -4.232 -0.915 2.825 1.00 0.00 O ATOM 330 CB THR A 26 -6.503 -1.559 1.091 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.372 -2.685 0.926 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.924 -0.443 0.146 1.00 0.00 C ATOM 0 H THR A 26 -4.234 -3.502 2.017 1.00 0.00 H new ATOM 0 HA THR A 26 -4.834 -1.888 -0.236 1.00 0.00 H new ATOM 0 HB THR A 26 -6.575 -1.192 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.261 -3.054 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.958 -0.165 0.349 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.279 0.423 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.837 -0.787 -0.885 1.00 0.00 H new ATOM 340 N LEU A 27 -3.193 -0.412 0.894 1.00 0.00 N ATOM 341 CA LEU A 27 -2.244 0.504 1.517 1.00 0.00 C ATOM 342 C LEU A 27 -2.609 1.954 1.217 1.00 0.00 C ATOM 343 O LEU A 27 -3.051 2.277 0.114 1.00 0.00 O ATOM 344 CB LEU A 27 -0.825 0.212 1.025 1.00 0.00 C ATOM 345 CG LEU A 27 -0.177 -1.064 1.565 1.00 0.00 C ATOM 346 CD1 LEU A 27 1.051 -1.427 0.746 1.00 0.00 C ATOM 347 CD2 LEU A 27 0.189 -0.896 3.033 1.00 0.00 C ATOM 0 H LEU A 27 -3.083 -0.512 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.287 0.353 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.844 0.154 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.189 1.058 1.288 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.897 -1.878 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.498 -2.337 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.761 -1.590 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.775 -0.614 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.649 -1.813 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.892 -0.070 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.711 -0.685 3.610 1.00 0.00 H new ATOM 359 N GLN A 28 -2.420 2.824 2.204 1.00 0.00 N ATOM 360 CA GLN A 28 -2.728 4.240 2.044 1.00 0.00 C ATOM 361 C GLN A 28 -1.552 5.106 2.481 1.00 0.00 C ATOM 362 O GLN A 28 -0.907 4.830 3.493 1.00 0.00 O ATOM 363 CB GLN A 28 -3.975 4.606 2.851 1.00 0.00 C ATOM 364 CG GLN A 28 -4.692 5.844 2.336 1.00 0.00 C ATOM 365 CD GLN A 28 -5.968 6.139 3.098 1.00 0.00 C ATOM 366 OE1 GLN A 28 -5.987 6.124 4.329 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.045 6.409 2.369 1.00 0.00 N ATOM 0 H GLN A 28 -2.055 2.573 3.123 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.920 4.427 0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.667 3.764 2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.690 4.767 3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.024 6.702 2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.927 5.710 1.280 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.984 6.411 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.933 6.615 2.827 1.00 0.00 H new ATOM 376 N CYS A 29 -1.278 6.154 1.713 1.00 0.00 N ATOM 377 CA CYS A 29 -0.177 7.061 2.020 1.00 0.00 C ATOM 378 C CYS A 29 -0.502 8.482 1.571 1.00 0.00 C ATOM 379 O CYS A 29 -0.958 8.699 0.449 1.00 0.00 O ATOM 380 CB CYS A 29 1.109 6.582 1.347 1.00 0.00 C ATOM 381 SG CYS A 29 0.873 5.943 -0.328 1.00 0.00 S ATOM 0 H CYS A 29 -1.803 6.397 0.873 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.033 7.065 3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.818 7.409 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.559 5.802 1.962 1.00 0.00 H new ATOM 0 HG CYS A 29 1.002 4.649 -0.321 1.00 0.00 H new ATOM 387 N GLU A 30 -0.264 9.446 2.455 1.00 0.00 N ATOM 388 CA GLU A 30 -0.534 10.846 2.149 1.00 0.00 C ATOM 389 C GLU A 30 0.765 11.611 1.914 1.00 0.00 C ATOM 390 O GLU A 30 1.759 11.398 2.610 1.00 0.00 O ATOM 391 CB GLU A 30 -1.324 11.496 3.287 1.00 0.00 C ATOM 392 CG GLU A 30 -1.952 12.827 2.908 1.00 0.00 C ATOM 393 CD GLU A 30 -2.418 13.617 4.116 1.00 0.00 C ATOM 394 OE1 GLU A 30 -3.242 13.086 4.890 1.00 0.00 O ATOM 395 OE2 GLU A 30 -1.959 14.766 4.286 1.00 0.00 O ATOM 0 H GLU A 30 0.115 9.283 3.388 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.128 10.885 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.109 10.812 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.661 11.646 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.229 13.420 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.799 12.649 2.246 1.00 0.00 H new ATOM 402 N LEU A 31 0.749 12.503 0.930 1.00 0.00 N ATOM 403 CA LEU A 31 1.925 13.301 0.602 1.00 0.00 C ATOM 404 C LEU A 31 1.605 14.792 0.658 1.00 0.00 C ATOM 405 O LEU A 31 0.568 15.233 0.164 1.00 0.00 O ATOM 406 CB LEU A 31 2.445 12.932 -0.789 1.00 0.00 C ATOM 407 CG LEU A 31 2.794 11.459 -1.006 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.578 11.068 -2.459 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.230 11.184 -0.585 1.00 0.00 C ATOM 0 H LEU A 31 -0.065 12.692 0.345 1.00 0.00 H new ATOM 0 HA LEU A 31 2.697 13.086 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.693 13.219 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.334 13.529 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 31 2.133 10.853 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.831 10.017 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.534 11.227 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.214 11.680 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.461 10.131 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.907 11.799 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.352 11.425 0.471 1.00 0.00 H new ATOM 421 N SER A 32 2.504 15.562 1.262 1.00 0.00 N ATOM 422 CA SER A 32 2.317 17.003 1.385 1.00 0.00 C ATOM 423 C SER A 32 1.864 17.607 0.059 1.00 0.00 C ATOM 424 O SER A 32 1.230 18.662 0.028 1.00 0.00 O ATOM 425 CB SER A 32 3.614 17.670 1.845 1.00 0.00 C ATOM 426 OG SER A 32 3.475 19.080 1.890 1.00 0.00 O ATOM 0 H SER A 32 3.369 15.212 1.674 1.00 0.00 H new ATOM 0 HA SER A 32 1.541 17.181 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.888 17.297 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.424 17.403 1.167 1.00 0.00 H new ATOM 0 HG SER A 32 4.317 19.482 2.188 1.00 0.00 H new ATOM 432 N LYS A 33 2.193 16.929 -1.035 1.00 0.00 N ATOM 433 CA LYS A 33 1.821 17.396 -2.366 1.00 0.00 C ATOM 434 C LYS A 33 1.305 16.243 -3.221 1.00 0.00 C ATOM 435 O LYS A 33 1.372 15.082 -2.820 1.00 0.00 O ATOM 436 CB LYS A 33 3.019 18.057 -3.051 1.00 0.00 C ATOM 437 CG LYS A 33 3.669 19.149 -2.219 1.00 0.00 C ATOM 438 CD LYS A 33 3.057 20.509 -2.508 1.00 0.00 C ATOM 439 CE LYS A 33 3.558 21.077 -3.827 1.00 0.00 C ATOM 440 NZ LYS A 33 2.886 22.362 -4.168 1.00 0.00 N ATOM 0 H LYS A 33 2.717 16.054 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 33 1.023 18.130 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.763 17.294 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.695 18.480 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.557 18.916 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.738 19.179 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.971 20.422 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.299 21.198 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.635 21.234 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.384 20.354 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.255 22.717 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.861 22.207 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.073 23.061 -3.421 1.00 0.00 H new ATOM 454 N ALA A 34 0.792 16.573 -4.402 1.00 0.00 N ATOM 455 CA ALA A 34 0.268 15.565 -5.316 1.00 0.00 C ATOM 456 C ALA A 34 1.325 15.141 -6.331 1.00 0.00 C ATOM 457 O ALA A 34 1.571 15.842 -7.312 1.00 0.00 O ATOM 458 CB ALA A 34 -0.970 16.090 -6.027 1.00 0.00 C ATOM 0 H ALA A 34 0.728 17.530 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.008 14.688 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.351 15.327 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.736 16.335 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.712 16.984 -6.594 1.00 0.00 H new ATOM 464 N ALA A 35 1.946 13.992 -6.087 1.00 0.00 N ATOM 465 CA ALA A 35 2.975 13.475 -6.981 1.00 0.00 C ATOM 466 C ALA A 35 2.828 11.970 -7.175 1.00 0.00 C ATOM 467 O ALA A 35 2.408 11.242 -6.276 1.00 0.00 O ATOM 468 CB ALA A 35 4.358 13.807 -6.441 1.00 0.00 C ATOM 0 H ALA A 35 1.755 13.401 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 35 2.852 13.954 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.117 13.415 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.467 14.889 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.482 13.356 -5.457 1.00 0.00 H new ATOM 474 N PRO A 36 3.180 11.491 -8.378 1.00 0.00 N ATOM 475 CA PRO A 36 3.095 10.068 -8.718 1.00 0.00 C ATOM 476 C PRO A 36 4.129 9.231 -7.973 1.00 0.00 C ATOM 477 O PRO A 36 5.329 9.497 -8.048 1.00 0.00 O ATOM 478 CB PRO A 36 3.374 10.046 -10.223 1.00 0.00 C ATOM 479 CG PRO A 36 4.180 11.273 -10.477 1.00 0.00 C ATOM 480 CD PRO A 36 3.688 12.302 -9.497 1.00 0.00 C ATOM 0 HA PRO A 36 2.131 9.640 -8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.919 9.147 -10.511 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.448 10.055 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.243 11.077 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.052 11.619 -11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.489 12.969 -9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.906 12.926 -9.929 1.00 0.00 H new ATOM 488 N VAL A 37 3.657 8.218 -7.253 1.00 0.00 N ATOM 489 CA VAL A 37 4.541 7.341 -6.496 1.00 0.00 C ATOM 490 C VAL A 37 4.598 5.949 -7.115 1.00 0.00 C ATOM 491 O VAL A 37 3.704 5.555 -7.863 1.00 0.00 O ATOM 492 CB VAL A 37 4.089 7.219 -5.028 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.245 8.550 -4.309 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.650 6.729 -4.954 1.00 0.00 C ATOM 0 H VAL A 37 2.667 7.985 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 37 5.534 7.790 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 37 4.725 6.488 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.921 8.444 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.291 8.856 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.635 9.305 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.346 6.648 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.998 7.435 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.573 5.752 -5.431 1.00 0.00 H new ATOM 504 N GLU A 38 5.656 5.209 -6.798 1.00 0.00 N ATOM 505 CA GLU A 38 5.829 3.860 -7.325 1.00 0.00 C ATOM 506 C GLU A 38 5.927 2.842 -6.192 1.00 0.00 C ATOM 507 O GLU A 38 6.583 3.086 -5.180 1.00 0.00 O ATOM 508 CB GLU A 38 7.082 3.787 -8.201 1.00 0.00 C ATOM 509 CG GLU A 38 7.246 2.459 -8.919 1.00 0.00 C ATOM 510 CD GLU A 38 8.531 2.384 -9.721 1.00 0.00 C ATOM 511 OE1 GLU A 38 9.564 2.890 -9.235 1.00 0.00 O ATOM 512 OE2 GLU A 38 8.503 1.819 -10.834 1.00 0.00 O ATOM 0 H GLU A 38 6.405 5.520 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 38 4.956 3.620 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.046 4.588 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.960 3.966 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.231 1.651 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.397 2.303 -9.585 1.00 0.00 H new ATOM 519 N TRP A 39 5.270 1.702 -6.372 1.00 0.00 N ATOM 520 CA TRP A 39 5.283 0.646 -5.365 1.00 0.00 C ATOM 521 C TRP A 39 6.192 -0.501 -5.790 1.00 0.00 C ATOM 522 O TRP A 39 6.123 -0.972 -6.926 1.00 0.00 O ATOM 523 CB TRP A 39 3.864 0.127 -5.124 1.00 0.00 C ATOM 524 CG TRP A 39 2.896 1.203 -4.736 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.343 2.143 -5.557 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.368 1.449 -3.428 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.503 2.960 -4.839 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.500 2.554 -3.530 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.542 0.843 -2.181 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.811 3.064 -2.433 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.858 1.350 -1.092 1.00 0.00 C ATOM 532 CH2 TRP A 39 1.001 2.450 -1.224 1.00 0.00 C ATOM 0 H TRP A 39 4.722 1.485 -7.205 1.00 0.00 H new ATOM 0 HA TRP A 39 5.671 1.067 -4.438 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.506 -0.365 -6.029 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.890 -0.629 -4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.537 2.232 -6.616 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.969 3.742 -5.219 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.199 -0.007 -2.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.151 3.913 -2.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.987 0.890 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.479 2.821 -0.354 1.00 0.00 H new ATOM 543 N ARG A 40 7.043 -0.947 -4.872 1.00 0.00 N ATOM 544 CA ARG A 40 7.967 -2.039 -5.154 1.00 0.00 C ATOM 545 C ARG A 40 8.007 -3.030 -3.994 1.00 0.00 C ATOM 546 O ARG A 40 7.885 -2.647 -2.831 1.00 0.00 O ATOM 547 CB ARG A 40 9.371 -1.492 -5.419 1.00 0.00 C ATOM 548 CG ARG A 40 9.479 -0.688 -6.704 1.00 0.00 C ATOM 549 CD ARG A 40 10.799 0.062 -6.783 1.00 0.00 C ATOM 550 NE ARG A 40 11.889 -0.795 -7.244 1.00 0.00 N ATOM 551 CZ ARG A 40 13.098 -0.342 -7.556 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.371 0.951 -7.457 1.00 0.00 N ATOM 553 NH2 ARG A 40 14.037 -1.185 -7.967 1.00 0.00 N ATOM 0 H ARG A 40 7.112 -0.569 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 40 7.613 -2.560 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.671 -0.863 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.074 -2.324 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.387 -1.355 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.653 0.021 -6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.694 0.910 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.046 0.466 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 40 11.712 -1.796 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.652 1.601 -7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.300 1.296 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.830 -2.181 -8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.965 -0.837 -8.207 1.00 0.00 H new ATOM 567 N LYS A 41 8.177 -4.307 -4.320 1.00 0.00 N ATOM 568 CA LYS A 41 8.233 -5.355 -3.307 1.00 0.00 C ATOM 569 C LYS A 41 9.638 -5.940 -3.207 1.00 0.00 C ATOM 570 O LYS A 41 10.002 -6.839 -3.963 1.00 0.00 O ATOM 571 CB LYS A 41 7.230 -6.463 -3.634 1.00 0.00 C ATOM 572 CG LYS A 41 5.855 -6.236 -3.029 1.00 0.00 C ATOM 573 CD LYS A 41 4.818 -7.166 -3.638 1.00 0.00 C ATOM 574 CE LYS A 41 4.779 -8.505 -2.917 1.00 0.00 C ATOM 575 NZ LYS A 41 3.723 -9.400 -3.466 1.00 0.00 N ATOM 0 H LYS A 41 8.278 -4.641 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 41 7.974 -4.911 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.132 -6.545 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.623 -7.415 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.900 -6.395 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.554 -5.200 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.835 -6.697 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.045 -7.326 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.750 -8.993 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.599 -8.340 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.233 -9.880 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.038 -8.836 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.159 -10.110 -4.089 1.00 0.00 H new ATOM 589 N GLY A 42 10.424 -5.424 -2.266 1.00 0.00 N ATOM 590 CA GLY A 42 11.779 -5.908 -2.084 1.00 0.00 C ATOM 591 C GLY A 42 12.638 -5.705 -3.316 1.00 0.00 C ATOM 592 O GLY A 42 13.368 -4.718 -3.418 1.00 0.00 O ATOM 0 H GLY A 42 10.146 -4.679 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.235 -5.393 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.752 -6.969 -1.834 1.00 0.00 H new ATOM 596 N LEU A 43 12.555 -6.642 -4.255 1.00 0.00 N ATOM 597 CA LEU A 43 13.332 -6.562 -5.486 1.00 0.00 C ATOM 598 C LEU A 43 12.452 -6.823 -6.704 1.00 0.00 C ATOM 599 O LEU A 43 12.877 -7.467 -7.662 1.00 0.00 O ATOM 600 CB LEU A 43 14.485 -7.567 -5.451 1.00 0.00 C ATOM 601 CG LEU A 43 15.741 -7.176 -6.229 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.372 -6.638 -7.603 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.551 -6.148 -5.452 1.00 0.00 C ATOM 0 H LEU A 43 11.957 -7.466 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 43 13.739 -5.554 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.764 -7.733 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.123 -8.519 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 43 16.354 -8.067 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.279 -6.365 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.835 -7.404 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.738 -5.759 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.442 -5.881 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.945 -5.257 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.847 -6.569 -4.491 1.00 0.00 H new ATOM 615 N GLU A 44 11.224 -6.316 -6.659 1.00 0.00 N ATOM 616 CA GLU A 44 10.284 -6.494 -7.760 1.00 0.00 C ATOM 617 C GLU A 44 9.667 -5.159 -8.170 1.00 0.00 C ATOM 618 O GLU A 44 9.465 -4.275 -7.338 1.00 0.00 O ATOM 619 CB GLU A 44 9.181 -7.478 -7.365 1.00 0.00 C ATOM 620 CG GLU A 44 8.246 -7.835 -8.508 1.00 0.00 C ATOM 621 CD GLU A 44 8.861 -8.827 -9.477 1.00 0.00 C ATOM 622 OE1 GLU A 44 10.036 -8.635 -9.855 1.00 0.00 O ATOM 623 OE2 GLU A 44 8.168 -9.794 -9.856 1.00 0.00 O ATOM 0 H GLU A 44 10.857 -5.779 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 44 10.833 -6.898 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.639 -8.390 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.598 -7.049 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.325 -8.253 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.974 -6.927 -9.047 1.00 0.00 H new ATOM 630 N ALA A 45 9.371 -5.022 -9.458 1.00 0.00 N ATOM 631 CA ALA A 45 8.776 -3.797 -9.979 1.00 0.00 C ATOM 632 C ALA A 45 7.286 -3.980 -10.244 1.00 0.00 C ATOM 633 O ALA A 45 6.892 -4.555 -11.259 1.00 0.00 O ATOM 634 CB ALA A 45 9.491 -3.362 -11.250 1.00 0.00 C ATOM 0 H ALA A 45 9.533 -5.744 -10.160 1.00 0.00 H new ATOM 0 HA ALA A 45 8.891 -3.018 -9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.036 -2.446 -11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.544 -3.181 -11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.406 -4.146 -12.002 1.00 0.00 H new ATOM 640 N LEU A 46 6.462 -3.489 -9.325 1.00 0.00 N ATOM 641 CA LEU A 46 5.013 -3.599 -9.460 1.00 0.00 C ATOM 642 C LEU A 46 4.469 -2.516 -10.386 1.00 0.00 C ATOM 643 O LEU A 46 5.039 -1.430 -10.490 1.00 0.00 O ATOM 644 CB LEU A 46 4.345 -3.496 -8.088 1.00 0.00 C ATOM 645 CG LEU A 46 4.943 -4.367 -6.983 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.369 -3.981 -5.628 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.692 -5.840 -7.270 1.00 0.00 C ATOM 0 H LEU A 46 6.772 -3.011 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 46 4.786 -4.572 -9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.384 -2.456 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.292 -3.756 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 46 6.020 -4.200 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.807 -4.612 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.601 -2.937 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.288 -4.117 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.125 -6.445 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.619 -6.023 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.153 -6.109 -8.221 1.00 0.00 H new ATOM 659 N ARG A 47 3.361 -2.819 -11.055 1.00 0.00 N ATOM 660 CA ARG A 47 2.739 -1.871 -11.971 1.00 0.00 C ATOM 661 C ARG A 47 1.217 -1.938 -11.872 1.00 0.00 C ATOM 662 O ARG A 47 0.667 -2.813 -11.203 1.00 0.00 O ATOM 663 CB ARG A 47 3.179 -2.155 -13.409 1.00 0.00 C ATOM 664 CG ARG A 47 2.854 -3.563 -13.879 1.00 0.00 C ATOM 665 CD ARG A 47 2.741 -3.633 -15.394 1.00 0.00 C ATOM 666 NE ARG A 47 1.455 -3.130 -15.870 1.00 0.00 N ATOM 667 CZ ARG A 47 1.209 -2.828 -17.140 1.00 0.00 C ATOM 668 NH1 ARG A 47 2.155 -2.978 -18.056 1.00 0.00 N ATOM 669 NH2 ARG A 47 0.013 -2.376 -17.496 1.00 0.00 N ATOM 0 H ARG A 47 2.876 -3.713 -10.980 1.00 0.00 H new ATOM 0 HA ARG A 47 3.061 -0.868 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.698 -1.439 -14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.254 -1.993 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.630 -4.249 -13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.918 -3.891 -13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.546 -3.053 -15.845 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.870 -4.665 -15.720 1.00 0.00 H new ATOM 0 HE ARG A 47 0.705 -3.004 -15.190 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.075 -3.326 -17.787 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.963 -2.745 -19.030 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.718 -2.260 -16.794 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.175 -2.144 -18.471 1.00 0.00 H new ATOM 683 N ASP A 48 0.545 -1.008 -12.540 1.00 0.00 N ATOM 684 CA ASP A 48 -0.913 -0.960 -12.528 1.00 0.00 C ATOM 685 C ASP A 48 -1.490 -1.693 -13.735 1.00 0.00 C ATOM 686 O ASP A 48 -0.915 -1.670 -14.822 1.00 0.00 O ATOM 687 CB ASP A 48 -1.397 0.490 -12.516 1.00 0.00 C ATOM 688 CG ASP A 48 -0.857 1.290 -13.685 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.369 1.241 -13.922 1.00 0.00 O ATOM 690 OD2 ASP A 48 -1.659 1.966 -14.363 1.00 0.00 O ATOM 0 H ASP A 48 0.986 -0.276 -13.097 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.261 -1.458 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.487 0.507 -12.541 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.092 0.964 -11.583 1.00 0.00 H new ATOM 695 N GLY A 49 -2.632 -2.344 -13.534 1.00 0.00 N ATOM 696 CA GLY A 49 -3.268 -3.076 -14.614 1.00 0.00 C ATOM 697 C GLY A 49 -4.411 -3.946 -14.131 1.00 0.00 C ATOM 698 O GLY A 49 -5.543 -3.479 -13.997 1.00 0.00 O ATOM 0 H GLY A 49 -3.128 -2.377 -12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.641 -2.371 -15.356 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.526 -3.700 -15.112 1.00 0.00 H new ATOM 702 N ASP A 50 -4.117 -5.215 -13.869 1.00 0.00 N ATOM 703 CA ASP A 50 -5.129 -6.153 -13.399 1.00 0.00 C ATOM 704 C ASP A 50 -4.783 -6.672 -12.006 1.00 0.00 C ATOM 705 O ASP A 50 -5.577 -6.553 -11.073 1.00 0.00 O ATOM 706 CB ASP A 50 -5.263 -7.324 -14.374 1.00 0.00 C ATOM 707 CG ASP A 50 -5.594 -6.869 -15.782 1.00 0.00 C ATOM 708 OD1 ASP A 50 -4.991 -5.878 -16.242 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.457 -7.505 -16.423 1.00 0.00 O ATOM 0 H ASP A 50 -3.186 -5.617 -13.974 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.081 -5.625 -13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.332 -7.890 -14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.042 -8.000 -14.021 1.00 0.00 H new ATOM 714 N LYS A 51 -3.594 -7.250 -11.874 1.00 0.00 N ATOM 715 CA LYS A 51 -3.141 -7.787 -10.597 1.00 0.00 C ATOM 716 C LYS A 51 -3.263 -6.742 -9.493 1.00 0.00 C ATOM 717 O LYS A 51 -3.881 -6.989 -8.457 1.00 0.00 O ATOM 718 CB LYS A 51 -1.691 -8.263 -10.705 1.00 0.00 C ATOM 719 CG LYS A 51 -1.082 -8.668 -9.374 1.00 0.00 C ATOM 720 CD LYS A 51 -1.673 -9.972 -8.864 1.00 0.00 C ATOM 721 CE LYS A 51 -1.286 -10.230 -7.416 1.00 0.00 C ATOM 722 NZ LYS A 51 -1.714 -11.582 -6.960 1.00 0.00 N ATOM 0 H LYS A 51 -2.926 -7.358 -12.637 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.777 -8.635 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.646 -9.111 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.088 -7.468 -11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.003 -8.775 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.251 -7.880 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.759 -9.939 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.328 -10.797 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.206 -10.135 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.739 -9.471 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.240 -11.497 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.325 -12.015 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.876 -12.180 -6.812 1.00 0.00 H new ATOM 736 N TYR A 52 -2.672 -5.575 -9.722 1.00 0.00 N ATOM 737 CA TYR A 52 -2.714 -4.492 -8.746 1.00 0.00 C ATOM 738 C TYR A 52 -3.630 -3.368 -9.219 1.00 0.00 C ATOM 739 O TYR A 52 -3.530 -2.907 -10.356 1.00 0.00 O ATOM 740 CB TYR A 52 -1.307 -3.948 -8.496 1.00 0.00 C ATOM 741 CG TYR A 52 -0.340 -4.986 -7.971 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.453 -5.477 -6.676 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.686 -5.475 -8.770 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.428 -6.424 -6.192 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.571 -6.423 -8.295 1.00 0.00 C ATOM 746 CZ TYR A 52 1.438 -6.895 -7.005 1.00 0.00 C ATOM 747 OH TYR A 52 2.318 -7.839 -6.528 1.00 0.00 O ATOM 0 H TYR A 52 -2.158 -5.354 -10.575 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.112 -4.892 -7.814 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.915 -3.536 -9.426 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.366 -3.125 -7.783 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.243 -5.112 -6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.793 -5.108 -9.780 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.327 -6.794 -5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.363 -6.793 -8.930 1.00 0.00 H new ATOM 0 HH TYR A 52 2.996 -8.029 -7.210 1.00 0.00 H new ATOM 757 N SER A 53 -4.523 -2.930 -8.336 1.00 0.00 N ATOM 758 CA SER A 53 -5.460 -1.862 -8.663 1.00 0.00 C ATOM 759 C SER A 53 -5.004 -0.536 -8.060 1.00 0.00 C ATOM 760 O SER A 53 -5.438 -0.153 -6.973 1.00 0.00 O ATOM 761 CB SER A 53 -6.860 -2.210 -8.156 1.00 0.00 C ATOM 762 OG SER A 53 -7.857 -1.547 -8.915 1.00 0.00 O ATOM 0 H SER A 53 -4.617 -3.298 -7.389 1.00 0.00 H new ATOM 0 HA SER A 53 -5.490 -1.758 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.013 -3.288 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.950 -1.929 -7.107 1.00 0.00 H new ATOM 0 HG SER A 53 -8.743 -1.787 -8.572 1.00 0.00 H new ATOM 768 N LEU A 54 -4.126 0.160 -8.773 1.00 0.00 N ATOM 769 CA LEU A 54 -3.609 1.443 -8.310 1.00 0.00 C ATOM 770 C LEU A 54 -4.678 2.527 -8.407 1.00 0.00 C ATOM 771 O LEU A 54 -5.339 2.671 -9.435 1.00 0.00 O ATOM 772 CB LEU A 54 -2.382 1.847 -9.129 1.00 0.00 C ATOM 773 CG LEU A 54 -1.048 1.252 -8.677 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.832 1.492 -7.191 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.994 -0.236 -8.992 1.00 0.00 C ATOM 0 H LEU A 54 -3.757 -0.143 -9.674 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.320 1.334 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.552 1.560 -10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.298 2.934 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.247 1.749 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.122 1.061 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.826 2.564 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.637 1.023 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.038 -0.643 -8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.804 -0.748 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.102 -0.385 -10.066 1.00 0.00 H new ATOM 787 N ARG A 55 -4.841 3.288 -7.330 1.00 0.00 N ATOM 788 CA ARG A 55 -5.828 4.360 -7.293 1.00 0.00 C ATOM 789 C ARG A 55 -5.274 5.587 -6.575 1.00 0.00 C ATOM 790 O ARG A 55 -5.084 5.572 -5.359 1.00 0.00 O ATOM 791 CB ARG A 55 -7.105 3.883 -6.599 1.00 0.00 C ATOM 792 CG ARG A 55 -7.701 2.628 -7.216 1.00 0.00 C ATOM 793 CD ARG A 55 -8.455 2.943 -8.499 1.00 0.00 C ATOM 794 NE ARG A 55 -9.050 1.748 -9.091 1.00 0.00 N ATOM 795 CZ ARG A 55 -10.112 1.129 -8.588 1.00 0.00 C ATOM 796 NH1 ARG A 55 -10.693 1.590 -7.489 1.00 0.00 N ATOM 797 NH2 ARG A 55 -10.595 0.046 -9.185 1.00 0.00 N ATOM 0 H ARG A 55 -4.302 3.182 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.063 4.638 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.888 3.693 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.846 4.681 -6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.907 1.912 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.376 2.155 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.238 3.672 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.775 3.403 -9.216 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.627 1.368 -9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.325 2.422 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.508 1.113 -7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.150 -0.311 -10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.411 -0.429 -8.798 1.00 0.00 H new ATOM 811 N GLN A 56 -5.016 6.646 -7.335 1.00 0.00 N ATOM 812 CA GLN A 56 -4.482 7.879 -6.771 1.00 0.00 C ATOM 813 C GLN A 56 -5.533 8.984 -6.784 1.00 0.00 C ATOM 814 O GLN A 56 -6.196 9.211 -7.796 1.00 0.00 O ATOM 815 CB GLN A 56 -3.244 8.327 -7.549 1.00 0.00 C ATOM 816 CG GLN A 56 -1.964 7.633 -7.110 1.00 0.00 C ATOM 817 CD GLN A 56 -0.727 8.466 -7.380 1.00 0.00 C ATOM 818 OE1 GLN A 56 0.052 8.166 -8.286 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.538 9.518 -6.593 1.00 0.00 N ATOM 0 H GLN A 56 -5.168 6.675 -8.343 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.200 7.683 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.404 8.138 -8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.122 9.404 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.023 7.411 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.876 6.679 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.209 9.730 -5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.278 10.115 -6.727 1.00 0.00 H new ATOM 828 N ASP A 57 -5.680 9.668 -5.655 1.00 0.00 N ATOM 829 CA ASP A 57 -6.651 10.750 -5.537 1.00 0.00 C ATOM 830 C ASP A 57 -5.980 12.030 -5.048 1.00 0.00 C ATOM 831 O ASP A 57 -6.215 12.476 -3.926 1.00 0.00 O ATOM 832 CB ASP A 57 -7.776 10.352 -4.581 1.00 0.00 C ATOM 833 CG ASP A 57 -8.634 11.533 -4.173 1.00 0.00 C ATOM 834 OD1 ASP A 57 -9.034 12.312 -5.063 1.00 0.00 O ATOM 835 OD2 ASP A 57 -8.906 11.678 -2.963 1.00 0.00 O ATOM 0 H ASP A 57 -5.139 9.493 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.073 10.936 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.403 9.598 -5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.347 9.894 -3.690 1.00 0.00 H new ATOM 840 N GLY A 58 -5.143 12.616 -5.899 1.00 0.00 N ATOM 841 CA GLY A 58 -4.451 13.838 -5.535 1.00 0.00 C ATOM 842 C GLY A 58 -3.187 13.575 -4.741 1.00 0.00 C ATOM 843 O GLY A 58 -2.212 13.044 -5.272 1.00 0.00 O ATOM 0 H GLY A 58 -4.932 12.266 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.199 14.392 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.119 14.469 -4.949 1.00 0.00 H new ATOM 847 N ALA A 59 -3.203 13.948 -3.466 1.00 0.00 N ATOM 848 CA ALA A 59 -2.049 13.748 -2.597 1.00 0.00 C ATOM 849 C ALA A 59 -2.204 12.481 -1.762 1.00 0.00 C ATOM 850 O ALA A 59 -1.446 12.251 -0.819 1.00 0.00 O ATOM 851 CB ALA A 59 -1.852 14.957 -1.695 1.00 0.00 C ATOM 0 H ALA A 59 -4.002 14.390 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.167 13.631 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.987 14.794 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.687 15.844 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.740 15.100 -1.080 1.00 0.00 H new ATOM 857 N VAL A 60 -3.191 11.663 -2.113 1.00 0.00 N ATOM 858 CA VAL A 60 -3.444 10.419 -1.396 1.00 0.00 C ATOM 859 C VAL A 60 -3.447 9.227 -2.346 1.00 0.00 C ATOM 860 O VAL A 60 -4.320 9.108 -3.206 1.00 0.00 O ATOM 861 CB VAL A 60 -4.789 10.468 -0.647 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.002 9.191 0.153 1.00 0.00 C ATOM 863 CG2 VAL A 60 -4.852 11.690 0.257 1.00 0.00 C ATOM 0 H VAL A 60 -3.828 11.839 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.637 10.300 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.591 10.546 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.957 9.244 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.004 8.335 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.197 9.078 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.809 11.708 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.043 11.645 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.749 12.593 -0.344 1.00 0.00 H new ATOM 873 N CYS A 61 -2.465 8.347 -2.185 1.00 0.00 N ATOM 874 CA CYS A 61 -2.353 7.163 -3.030 1.00 0.00 C ATOM 875 C CYS A 61 -2.992 5.953 -2.357 1.00 0.00 C ATOM 876 O CYS A 61 -3.174 5.933 -1.140 1.00 0.00 O ATOM 877 CB CYS A 61 -0.885 6.871 -3.343 1.00 0.00 C ATOM 878 SG CYS A 61 0.145 8.350 -3.499 1.00 0.00 S ATOM 0 H CYS A 61 -1.735 8.431 -1.477 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.883 7.360 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.476 6.238 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.829 6.302 -4.271 1.00 0.00 H new ATOM 0 HG CYS A 61 1.208 8.218 -2.762 1.00 0.00 H new ATOM 884 N GLU A 62 -3.332 4.948 -3.157 1.00 0.00 N ATOM 885 CA GLU A 62 -3.954 3.735 -2.638 1.00 0.00 C ATOM 886 C GLU A 62 -3.652 2.541 -3.538 1.00 0.00 C ATOM 887 O GLU A 62 -3.872 2.590 -4.749 1.00 0.00 O ATOM 888 CB GLU A 62 -5.467 3.924 -2.514 1.00 0.00 C ATOM 889 CG GLU A 62 -6.164 2.792 -1.778 1.00 0.00 C ATOM 890 CD GLU A 62 -7.467 3.228 -1.138 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.187 4.044 -1.751 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.768 2.751 -0.023 1.00 0.00 O ATOM 0 H GLU A 62 -3.188 4.949 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.537 3.538 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.666 4.861 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.896 4.016 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.361 1.977 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.499 2.400 -1.009 1.00 0.00 H new ATOM 899 N LEU A 63 -3.145 1.469 -2.939 1.00 0.00 N ATOM 900 CA LEU A 63 -2.812 0.261 -3.685 1.00 0.00 C ATOM 901 C LEU A 63 -3.611 -0.933 -3.174 1.00 0.00 C ATOM 902 O LEU A 63 -3.689 -1.170 -1.968 1.00 0.00 O ATOM 903 CB LEU A 63 -1.314 -0.031 -3.578 1.00 0.00 C ATOM 904 CG LEU A 63 -0.863 -1.411 -4.057 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.947 -1.504 -5.573 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.552 -1.705 -3.580 1.00 0.00 C ATOM 0 H LEU A 63 -2.956 1.412 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.071 0.427 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.775 0.724 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.015 0.085 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.531 -2.159 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.622 -2.493 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.976 -1.339 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.303 -0.747 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.856 -2.691 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.233 -0.953 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.581 -1.682 -2.491 1.00 0.00 H new ATOM 918 N GLN A 64 -4.203 -1.683 -4.099 1.00 0.00 N ATOM 919 CA GLN A 64 -4.995 -2.853 -3.741 1.00 0.00 C ATOM 920 C GLN A 64 -4.419 -4.115 -4.375 1.00 0.00 C ATOM 921 O GLN A 64 -4.247 -4.186 -5.592 1.00 0.00 O ATOM 922 CB GLN A 64 -6.448 -2.665 -4.179 1.00 0.00 C ATOM 923 CG GLN A 64 -7.281 -1.860 -3.195 1.00 0.00 C ATOM 924 CD GLN A 64 -8.748 -1.813 -3.574 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.095 -1.586 -4.734 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.620 -2.028 -2.596 1.00 0.00 N ATOM 0 H GLN A 64 -4.149 -1.501 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.962 -2.965 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.465 -2.167 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.907 -3.644 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.180 -2.293 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.891 -0.844 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.289 -2.212 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.621 -2.009 -2.792 1.00 0.00 H new ATOM 935 N ILE A 65 -4.124 -5.108 -3.543 1.00 0.00 N ATOM 936 CA ILE A 65 -3.568 -6.367 -4.023 1.00 0.00 C ATOM 937 C ILE A 65 -4.635 -7.455 -4.075 1.00 0.00 C ATOM 938 O ILE A 65 -4.882 -8.145 -3.086 1.00 0.00 O ATOM 939 CB ILE A 65 -2.406 -6.846 -3.133 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.308 -5.782 -3.074 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.848 -8.162 -3.652 1.00 0.00 C ATOM 942 CD1 ILE A 65 -1.506 -4.770 -1.967 1.00 0.00 C ATOM 0 H ILE A 65 -4.261 -5.065 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.192 -6.182 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.784 -7.008 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.344 -6.273 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.268 -5.260 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.028 -8.487 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.634 -8.918 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.482 -8.026 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.691 -4.047 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.454 -4.252 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.516 -5.281 -1.004 1.00 0.00 H new ATOM 954 N HIS A 66 -5.265 -7.603 -5.236 1.00 0.00 N ATOM 955 CA HIS A 66 -6.305 -8.610 -5.418 1.00 0.00 C ATOM 956 C HIS A 66 -5.722 -10.016 -5.327 1.00 0.00 C ATOM 957 O HIS A 66 -4.805 -10.368 -6.067 1.00 0.00 O ATOM 958 CB HIS A 66 -6.998 -8.419 -6.768 1.00 0.00 C ATOM 959 CG HIS A 66 -7.761 -7.135 -6.874 1.00 0.00 C ATOM 960 ND1 HIS A 66 -9.139 -7.076 -6.883 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.331 -5.855 -6.973 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.523 -5.817 -6.985 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.445 -5.055 -7.041 1.00 0.00 N ATOM 0 H HIS A 66 -5.074 -7.039 -6.064 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.038 -8.488 -4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.249 -8.453 -7.559 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.680 -9.252 -6.938 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.764 -7.880 -6.821 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.303 -5.525 -6.994 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.545 -5.469 -7.017 1.00 0.00 H new ATOM 971 N GLY A 67 -6.261 -10.817 -4.412 1.00 0.00 N ATOM 972 CA GLY A 67 -5.781 -12.176 -4.240 1.00 0.00 C ATOM 973 C GLY A 67 -4.467 -12.235 -3.486 1.00 0.00 C ATOM 974 O GLY A 67 -3.398 -12.055 -4.071 1.00 0.00 O ATOM 0 H GLY A 67 -7.021 -10.549 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.531 -12.758 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.656 -12.641 -5.218 1.00 0.00 H new ATOM 978 N LEU A 68 -4.545 -12.487 -2.184 1.00 0.00 N ATOM 979 CA LEU A 68 -3.352 -12.568 -1.347 1.00 0.00 C ATOM 980 C LEU A 68 -2.927 -14.019 -1.144 1.00 0.00 C ATOM 981 O LEU A 68 -3.634 -14.944 -1.543 1.00 0.00 O ATOM 982 CB LEU A 68 -3.609 -11.905 0.007 1.00 0.00 C ATOM 983 CG LEU A 68 -3.569 -10.377 0.025 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.250 -9.839 1.274 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.132 -9.880 -0.057 1.00 0.00 C ATOM 0 H LEU A 68 -5.421 -12.639 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.545 -12.040 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.586 -12.227 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.870 -12.276 0.717 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.111 -10.009 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.211 -8.750 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.290 -10.165 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.737 -10.216 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.123 -8.790 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.567 -10.259 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.676 -10.235 -0.981 1.00 0.00 H new ATOM 997 N ALA A 69 -1.770 -14.209 -0.519 1.00 0.00 N ATOM 998 CA ALA A 69 -1.253 -15.547 -0.259 1.00 0.00 C ATOM 999 C ALA A 69 -0.016 -15.494 0.631 1.00 0.00 C ATOM 1000 O ALA A 69 0.450 -14.416 0.999 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.935 -16.253 -1.568 1.00 0.00 C ATOM 0 H ALA A 69 -1.173 -13.453 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.023 -16.112 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.550 -17.251 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.841 -16.332 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.185 -15.682 -2.116 1.00 0.00 H new ATOM 1007 N MET A 70 0.512 -16.664 0.972 1.00 0.00 N ATOM 1008 CA MET A 70 1.697 -16.750 1.819 1.00 0.00 C ATOM 1009 C MET A 70 2.859 -15.975 1.208 1.00 0.00 C ATOM 1010 O MET A 70 3.566 -15.247 1.904 1.00 0.00 O ATOM 1011 CB MET A 70 2.097 -18.212 2.026 1.00 0.00 C ATOM 1012 CG MET A 70 1.035 -19.038 2.735 1.00 0.00 C ATOM 1013 SD MET A 70 1.082 -18.838 4.527 1.00 0.00 S ATOM 1014 CE MET A 70 -0.185 -17.594 4.761 1.00 0.00 C ATOM 0 H MET A 70 0.139 -17.566 0.675 1.00 0.00 H new ATOM 0 HA MET A 70 1.455 -16.307 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.309 -18.663 1.057 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.020 -18.249 2.604 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.050 -18.750 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.173 -20.090 2.487 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.452 -17.540 5.817 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.191 -16.625 4.432 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.067 -17.858 4.177 1.00 0.00 H new ATOM 1024 N ALA A 71 3.051 -16.136 -0.098 1.00 0.00 N ATOM 1025 CA ALA A 71 4.126 -15.449 -0.802 1.00 0.00 C ATOM 1026 C ALA A 71 3.841 -13.956 -0.919 1.00 0.00 C ATOM 1027 O ALA A 71 4.724 -13.126 -0.701 1.00 0.00 O ATOM 1028 CB ALA A 71 4.327 -16.059 -2.182 1.00 0.00 C ATOM 0 H ALA A 71 2.476 -16.736 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 71 5.042 -15.573 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.133 -15.536 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.585 -17.113 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.407 -15.965 -2.759 1.00 0.00 H new ATOM 1034 N ASP A 72 2.603 -13.620 -1.264 1.00 0.00 N ATOM 1035 CA ASP A 72 2.200 -12.226 -1.410 1.00 0.00 C ATOM 1036 C ASP A 72 2.845 -11.359 -0.332 1.00 0.00 C ATOM 1037 O ASP A 72 3.436 -10.322 -0.628 1.00 0.00 O ATOM 1038 CB ASP A 72 0.678 -12.102 -1.338 1.00 0.00 C ATOM 1039 CG ASP A 72 0.178 -10.782 -1.890 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.483 -9.732 -1.286 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.518 -10.798 -2.926 1.00 0.00 O ATOM 0 H ASP A 72 1.860 -14.295 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 72 2.539 -11.876 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.223 -12.921 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.357 -12.204 -0.301 1.00 0.00 H new ATOM 1046 N ASN A 73 2.726 -11.793 0.918 1.00 0.00 N ATOM 1047 CA ASN A 73 3.296 -11.056 2.040 1.00 0.00 C ATOM 1048 C ASN A 73 4.776 -10.768 1.807 1.00 0.00 C ATOM 1049 O ASN A 73 5.451 -11.487 1.071 1.00 0.00 O ATOM 1050 CB ASN A 73 3.117 -11.844 3.339 1.00 0.00 C ATOM 1051 CG ASN A 73 3.927 -13.127 3.353 1.00 0.00 C ATOM 1052 OD1 ASN A 73 4.970 -13.222 2.706 1.00 0.00 O ATOM 1053 ND2 ASN A 73 3.449 -14.120 4.093 1.00 0.00 N ATOM 0 H ASN A 73 2.240 -12.651 1.180 1.00 0.00 H new ATOM 0 HA ASN A 73 2.768 -10.106 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.414 -11.221 4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.062 -12.082 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.951 -15.007 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.580 -13.996 4.613 1.00 0.00 H new ATOM 1060 N GLY A 74 5.275 -9.710 2.439 1.00 0.00 N ATOM 1061 CA GLY A 74 6.671 -9.346 2.288 1.00 0.00 C ATOM 1062 C GLY A 74 6.952 -7.925 2.737 1.00 0.00 C ATOM 1063 O GLY A 74 6.639 -7.550 3.867 1.00 0.00 O ATOM 0 H GLY A 74 4.737 -9.099 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.287 -10.035 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.961 -9.458 1.243 1.00 0.00 H new ATOM 1067 N VAL A 75 7.546 -7.133 1.850 1.00 0.00 N ATOM 1068 CA VAL A 75 7.870 -5.745 2.161 1.00 0.00 C ATOM 1069 C VAL A 75 7.562 -4.831 0.981 1.00 0.00 C ATOM 1070 O VAL A 75 8.046 -5.050 -0.130 1.00 0.00 O ATOM 1071 CB VAL A 75 9.353 -5.588 2.546 1.00 0.00 C ATOM 1072 CG1 VAL A 75 9.699 -4.121 2.748 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.667 -6.395 3.796 1.00 0.00 C ATOM 0 H VAL A 75 7.813 -7.428 0.911 1.00 0.00 H new ATOM 0 HA VAL A 75 7.250 -5.457 3.010 1.00 0.00 H new ATOM 0 HB VAL A 75 9.965 -5.972 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.751 -4.029 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.514 -3.573 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.081 -3.708 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.719 -6.272 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.048 -6.043 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.459 -7.449 3.610 1.00 0.00 H new ATOM 1083 N TYR A 76 6.756 -3.805 1.229 1.00 0.00 N ATOM 1084 CA TYR A 76 6.382 -2.858 0.185 1.00 0.00 C ATOM 1085 C TYR A 76 7.076 -1.515 0.395 1.00 0.00 C ATOM 1086 O TYR A 76 7.295 -1.087 1.528 1.00 0.00 O ATOM 1087 CB TYR A 76 4.865 -2.663 0.165 1.00 0.00 C ATOM 1088 CG TYR A 76 4.101 -3.900 -0.251 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.074 -5.028 0.558 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.407 -3.940 -1.454 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.378 -6.161 0.182 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.707 -5.067 -1.838 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.696 -6.175 -1.016 1.00 0.00 C ATOM 1094 OH TYR A 76 2.001 -7.301 -1.395 1.00 0.00 O ATOM 0 H TYR A 76 6.349 -3.608 2.143 1.00 0.00 H new ATOM 0 HA TYR A 76 6.702 -3.266 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.533 -2.358 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.621 -1.849 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.606 -5.020 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.415 -3.075 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.368 -7.030 0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.172 -5.081 -2.776 1.00 0.00 H new ATOM 0 HH TYR A 76 1.576 -7.146 -2.264 1.00 0.00 H new ATOM 1104 N SER A 77 7.418 -0.855 -0.707 1.00 0.00 N ATOM 1105 CA SER A 77 8.089 0.438 -0.647 1.00 0.00 C ATOM 1106 C SER A 77 7.412 1.446 -1.570 1.00 0.00 C ATOM 1107 O SER A 77 7.112 1.142 -2.725 1.00 0.00 O ATOM 1108 CB SER A 77 9.563 0.289 -1.029 1.00 0.00 C ATOM 1109 OG SER A 77 10.108 -0.910 -0.504 1.00 0.00 O ATOM 0 H SER A 77 7.241 -1.195 -1.652 1.00 0.00 H new ATOM 0 HA SER A 77 8.021 0.807 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.663 0.293 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.127 1.143 -0.654 1.00 0.00 H new ATOM 0 HG SER A 77 11.050 -0.982 -0.764 1.00 0.00 H new ATOM 1115 N CYS A 78 7.174 2.646 -1.052 1.00 0.00 N ATOM 1116 CA CYS A 78 6.531 3.700 -1.829 1.00 0.00 C ATOM 1117 C CYS A 78 7.462 4.897 -1.995 1.00 0.00 C ATOM 1118 O CYS A 78 7.678 5.664 -1.057 1.00 0.00 O ATOM 1119 CB CYS A 78 5.231 4.139 -1.153 1.00 0.00 C ATOM 1120 SG CYS A 78 4.050 4.931 -2.270 1.00 0.00 S ATOM 0 H CYS A 78 7.416 2.913 -0.098 1.00 0.00 H new ATOM 0 HA CYS A 78 6.301 3.301 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.758 3.268 -0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.470 4.830 -0.344 1.00 0.00 H new ATOM 0 HG CYS A 78 3.068 4.115 -2.513 1.00 0.00 H new ATOM 1126 N VAL A 79 8.012 5.050 -3.196 1.00 0.00 N ATOM 1127 CA VAL A 79 8.920 6.153 -3.486 1.00 0.00 C ATOM 1128 C VAL A 79 8.312 7.113 -4.502 1.00 0.00 C ATOM 1129 O VAL A 79 7.813 6.692 -5.547 1.00 0.00 O ATOM 1130 CB VAL A 79 10.270 5.642 -4.022 1.00 0.00 C ATOM 1131 CG1 VAL A 79 10.062 4.450 -4.944 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.014 6.758 -4.741 1.00 0.00 C ATOM 0 H VAL A 79 7.844 4.424 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 79 9.087 6.681 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 79 10.877 5.316 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.027 4.103 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.573 3.646 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.437 4.746 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.966 6.380 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.413 7.116 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.196 7.579 -4.048 1.00 0.00 H new ATOM 1142 N CYS A 80 8.357 8.403 -4.190 1.00 0.00 N ATOM 1143 CA CYS A 80 7.810 9.424 -5.076 1.00 0.00 C ATOM 1144 C CYS A 80 8.887 9.969 -6.008 1.00 0.00 C ATOM 1145 O CYS A 80 8.664 10.125 -7.208 1.00 0.00 O ATOM 1146 CB CYS A 80 7.200 10.564 -4.260 1.00 0.00 C ATOM 1147 SG CYS A 80 7.059 12.125 -5.162 1.00 0.00 S ATOM 0 H CYS A 80 8.767 8.767 -3.330 1.00 0.00 H new ATOM 0 HA CYS A 80 7.030 8.963 -5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.209 10.263 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 80 7.808 10.725 -3.370 1.00 0.00 H new ATOM 0 HG CYS A 80 6.530 13.027 -4.389 1.00 0.00 H new ATOM 1153 N GLY A 81 10.057 10.258 -5.447 1.00 0.00 N ATOM 1154 CA GLY A 81 11.152 10.785 -6.241 1.00 0.00 C ATOM 1155 C GLY A 81 12.487 10.677 -5.532 1.00 0.00 C ATOM 1156 O GLY A 81 13.436 10.104 -6.067 1.00 0.00 O ATOM 0 H GLY A 81 10.266 10.137 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.202 10.247 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.954 11.830 -6.479 1.00 0.00 H new ATOM 1160 N GLN A 82 12.562 11.230 -4.326 1.00 0.00 N ATOM 1161 CA GLN A 82 13.792 11.195 -3.545 1.00 0.00 C ATOM 1162 C GLN A 82 13.587 10.432 -2.241 1.00 0.00 C ATOM 1163 O GLN A 82 14.492 9.748 -1.763 1.00 0.00 O ATOM 1164 CB GLN A 82 14.274 12.617 -3.248 1.00 0.00 C ATOM 1165 CG GLN A 82 14.954 13.288 -4.430 1.00 0.00 C ATOM 1166 CD GLN A 82 16.271 12.631 -4.795 1.00 0.00 C ATOM 1167 OE1 GLN A 82 16.972 12.098 -3.934 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.615 12.666 -6.077 1.00 0.00 N ATOM 0 H GLN A 82 11.785 11.708 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 82 14.551 10.677 -4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.423 13.223 -2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.968 12.588 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.287 13.260 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.129 14.338 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.004 13.118 -6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.490 12.240 -6.382 1.00 0.00 H new ATOM 1177 N GLU A 83 12.393 10.555 -1.670 1.00 0.00 N ATOM 1178 CA GLU A 83 12.071 9.878 -0.420 1.00 0.00 C ATOM 1179 C GLU A 83 11.283 8.597 -0.682 1.00 0.00 C ATOM 1180 O GLU A 83 10.684 8.431 -1.745 1.00 0.00 O ATOM 1181 CB GLU A 83 11.269 10.804 0.496 1.00 0.00 C ATOM 1182 CG GLU A 83 11.936 12.148 0.738 1.00 0.00 C ATOM 1183 CD GLU A 83 13.366 12.011 1.221 1.00 0.00 C ATOM 1184 OE1 GLU A 83 13.599 11.232 2.169 1.00 0.00 O ATOM 1185 OE2 GLU A 83 14.252 12.682 0.652 1.00 0.00 O ATOM 0 H GLU A 83 11.633 11.117 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 83 13.007 9.614 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.284 10.970 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.113 10.308 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.922 12.728 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.360 12.708 1.475 1.00 0.00 H new ATOM 1192 N ARG A 84 11.289 7.695 0.294 1.00 0.00 N ATOM 1193 CA ARG A 84 10.577 6.429 0.168 1.00 0.00 C ATOM 1194 C ARG A 84 10.203 5.878 1.541 1.00 0.00 C ATOM 1195 O ARG A 84 10.897 6.118 2.530 1.00 0.00 O ATOM 1196 CB ARG A 84 11.434 5.411 -0.586 1.00 0.00 C ATOM 1197 CG ARG A 84 12.629 4.912 0.209 1.00 0.00 C ATOM 1198 CD ARG A 84 13.837 5.818 0.027 1.00 0.00 C ATOM 1199 NE ARG A 84 14.976 5.379 0.829 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.092 5.612 2.131 1.00 0.00 C ATOM 1201 NH1 ARG A 84 14.142 6.275 2.776 1.00 0.00 N ATOM 1202 NH2 ARG A 84 16.159 5.181 2.792 1.00 0.00 N ATOM 0 H ARG A 84 11.779 7.817 1.180 1.00 0.00 H new ATOM 0 HA ARG A 84 9.661 6.609 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.812 4.560 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.788 5.863 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.368 4.860 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.881 3.900 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.120 5.837 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.570 6.838 0.304 1.00 0.00 H new ATOM 0 HE ARG A 84 15.724 4.865 0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.320 6.607 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.233 6.453 3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.892 4.670 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.246 5.361 3.792 1.00 0.00 H new ATOM 1216 N THR A 85 9.101 5.136 1.595 1.00 0.00 N ATOM 1217 CA THR A 85 8.633 4.552 2.845 1.00 0.00 C ATOM 1218 C THR A 85 8.416 3.050 2.703 1.00 0.00 C ATOM 1219 O THR A 85 7.824 2.588 1.728 1.00 0.00 O ATOM 1220 CB THR A 85 7.320 5.207 3.315 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.969 4.722 4.616 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.191 4.915 2.338 1.00 0.00 C ATOM 0 H THR A 85 8.516 4.926 0.786 1.00 0.00 H new ATOM 0 HA THR A 85 9.408 4.736 3.589 1.00 0.00 H new ATOM 0 HB THR A 85 7.472 6.285 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.621 5.461 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.274 5.387 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.449 5.310 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.040 3.838 2.267 1.00 0.00 H new ATOM 1230 N SER A 86 8.899 2.292 3.682 1.00 0.00 N ATOM 1231 CA SER A 86 8.761 0.840 3.665 1.00 0.00 C ATOM 1232 C SER A 86 7.744 0.379 4.705 1.00 0.00 C ATOM 1233 O SER A 86 7.621 0.974 5.774 1.00 0.00 O ATOM 1234 CB SER A 86 10.113 0.174 3.926 1.00 0.00 C ATOM 1235 OG SER A 86 10.989 0.351 2.826 1.00 0.00 O ATOM 0 H SER A 86 9.390 2.659 4.497 1.00 0.00 H new ATOM 0 HA SER A 86 8.404 0.545 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.563 0.596 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.968 -0.890 4.112 1.00 0.00 H new ATOM 0 HG SER A 86 11.847 -0.082 3.018 1.00 0.00 H new ATOM 1241 N ALA A 87 7.019 -0.687 4.382 1.00 0.00 N ATOM 1242 CA ALA A 87 6.015 -1.231 5.287 1.00 0.00 C ATOM 1243 C ALA A 87 6.045 -2.755 5.289 1.00 0.00 C ATOM 1244 O ALA A 87 6.751 -3.374 4.492 1.00 0.00 O ATOM 1245 CB ALA A 87 4.631 -0.728 4.904 1.00 0.00 C ATOM 0 H ALA A 87 7.109 -1.191 3.500 1.00 0.00 H new ATOM 0 HA ALA A 87 6.247 -0.889 6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.891 -1.142 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.610 0.360 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.399 -1.041 3.886 1.00 0.00 H new ATOM 1251 N THR A 88 5.274 -3.357 6.189 1.00 0.00 N ATOM 1252 CA THR A 88 5.213 -4.809 6.295 1.00 0.00 C ATOM 1253 C THR A 88 3.776 -5.309 6.193 1.00 0.00 C ATOM 1254 O THR A 88 2.894 -4.843 6.915 1.00 0.00 O ATOM 1255 CB THR A 88 5.822 -5.302 7.622 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.207 -4.941 7.688 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.679 -6.810 7.756 1.00 0.00 C ATOM 0 H THR A 88 4.683 -2.861 6.856 1.00 0.00 H new ATOM 0 HA THR A 88 5.794 -5.210 5.465 1.00 0.00 H new ATOM 0 HB THR A 88 5.283 -4.828 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.587 -5.256 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.116 -7.134 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.623 -7.079 7.734 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.195 -7.299 6.930 1.00 0.00 H new ATOM 1265 N LEU A 89 3.548 -6.259 5.293 1.00 0.00 N ATOM 1266 CA LEU A 89 2.217 -6.823 5.097 1.00 0.00 C ATOM 1267 C LEU A 89 2.182 -8.292 5.506 1.00 0.00 C ATOM 1268 O LEU A 89 3.016 -9.088 5.074 1.00 0.00 O ATOM 1269 CB LEU A 89 1.791 -6.679 3.635 1.00 0.00 C ATOM 1270 CG LEU A 89 0.466 -7.340 3.254 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.690 -6.371 3.449 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.511 -7.835 1.816 1.00 0.00 C ATOM 0 H LEU A 89 4.267 -6.655 4.688 1.00 0.00 H new ATOM 0 HA LEU A 89 1.520 -6.272 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.725 -5.617 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.577 -7.097 3.006 1.00 0.00 H new ATOM 0 HG LEU A 89 0.309 -8.198 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.625 -6.859 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.736 -6.065 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.539 -5.494 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.440 -8.303 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.692 -6.994 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.314 -8.564 1.707 1.00 0.00 H new ATOM 1284 N THR A 90 1.210 -8.645 6.342 1.00 0.00 N ATOM 1285 CA THR A 90 1.065 -10.018 6.809 1.00 0.00 C ATOM 1286 C THR A 90 -0.155 -10.685 6.185 1.00 0.00 C ATOM 1287 O THR A 90 -1.248 -10.119 6.175 1.00 0.00 O ATOM 1288 CB THR A 90 0.942 -10.079 8.343 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.226 -9.889 8.946 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.360 -11.414 8.786 1.00 0.00 C ATOM 0 H THR A 90 0.512 -7.999 6.709 1.00 0.00 H new ATOM 0 HA THR A 90 1.964 -10.553 6.503 1.00 0.00 H new ATOM 0 HB THR A 90 0.270 -9.283 8.664 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.138 -9.928 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.282 -11.434 9.873 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.630 -11.542 8.349 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.011 -12.223 8.454 1.00 0.00 H new ATOM 1298 N VAL A 91 0.038 -11.893 5.665 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.048 -12.639 5.040 1.00 0.00 C ATOM 1300 C VAL A 91 -1.366 -13.908 5.824 1.00 0.00 C ATOM 1301 O VAL A 91 -0.578 -14.854 5.839 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.705 -13.019 3.587 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.709 -14.026 3.047 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.659 -11.777 2.709 1.00 0.00 C ATOM 0 H VAL A 91 0.936 -12.376 5.664 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.921 -11.986 5.041 1.00 0.00 H new ATOM 0 HB VAL A 91 0.281 -13.483 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.450 -14.282 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.688 -14.926 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.709 -13.592 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.415 -12.063 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.631 -11.283 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.102 -11.093 3.085 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.525 -13.920 6.474 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.947 -15.073 7.261 1.00 0.00 C ATOM 1316 C ARG A 92 -3.486 -16.179 6.359 1.00 0.00 C ATOM 1317 O ARG A 92 -3.883 -15.928 5.222 1.00 0.00 O ATOM 1318 CB ARG A 92 -4.015 -14.661 8.275 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.447 -14.223 9.615 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.311 -15.396 10.573 1.00 0.00 C ATOM 1321 NE ARG A 92 -4.523 -15.603 11.360 1.00 0.00 N ATOM 1322 CZ ARG A 92 -4.641 -16.539 12.295 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -3.625 -17.350 12.559 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -5.777 -16.666 12.970 1.00 0.00 N ATOM 0 H ARG A 92 -3.188 -13.145 6.471 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.077 -15.455 7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.606 -13.846 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.695 -15.498 8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.472 -13.760 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.095 -13.465 10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.086 -16.301 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.469 -15.221 11.243 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.323 -14.996 11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.750 -17.256 12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.719 -18.068 13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.561 -16.044 12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.866 -17.385 13.688 1.00 0.00 H new ATOM 1338 N ALA A 93 -3.496 -17.404 6.875 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.988 -18.548 6.117 1.00 0.00 C ATOM 1340 C ALA A 93 -5.276 -19.095 6.723 1.00 0.00 C ATOM 1341 O ALA A 93 -5.392 -19.232 7.941 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.926 -19.637 6.058 1.00 0.00 C ATOM 0 H ALA A 93 -3.169 -17.629 7.815 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.208 -18.214 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.306 -20.486 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.031 -19.247 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.679 -19.960 7.069 1.00 0.00 H new ATOM 1348 N LEU A 94 -6.242 -19.405 5.865 1.00 0.00 N ATOM 1349 CA LEU A 94 -7.523 -19.937 6.316 1.00 0.00 C ATOM 1350 C LEU A 94 -7.352 -21.324 6.928 1.00 0.00 C ATOM 1351 O LEU A 94 -6.583 -22.153 6.443 1.00 0.00 O ATOM 1352 CB LEU A 94 -8.510 -20.001 5.149 1.00 0.00 C ATOM 1353 CG LEU A 94 -9.126 -18.670 4.717 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -10.376 -18.371 5.532 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -8.114 -17.543 4.858 1.00 0.00 C ATOM 0 H LEU A 94 -6.162 -19.297 4.854 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.917 -19.268 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.999 -20.437 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.318 -20.681 5.419 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.410 -18.747 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.801 -17.420 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.107 -19.165 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.116 -18.314 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.570 -16.603 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.798 -17.465 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.247 -17.752 4.231 1.00 0.00 H new ATOM 1367 N PRO A 95 -8.088 -21.584 8.019 1.00 0.00 N ATOM 1368 CA PRO A 95 -8.037 -22.870 8.720 1.00 0.00 C ATOM 1369 C PRO A 95 -8.665 -23.998 7.908 1.00 0.00 C ATOM 1370 O PRO A 95 -9.616 -23.780 7.157 1.00 0.00 O ATOM 1371 CB PRO A 95 -8.847 -22.613 9.993 1.00 0.00 C ATOM 1372 CG PRO A 95 -9.772 -21.501 9.635 1.00 0.00 C ATOM 1373 CD PRO A 95 -9.026 -20.642 8.652 1.00 0.00 C ATOM 0 HA PRO A 95 -7.012 -23.191 8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.397 -23.503 10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.200 -22.337 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.693 -21.885 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.054 -20.928 10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.698 -20.192 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.502 -19.826 9.149 1.00 0.00 H new ATOM 1381 N ALA A 96 -8.128 -25.203 8.064 1.00 0.00 N ATOM 1382 CA ALA A 96 -8.638 -26.365 7.347 1.00 0.00 C ATOM 1383 C ALA A 96 -9.923 -26.883 7.983 1.00 0.00 C ATOM 1384 O ALA A 96 -9.991 -27.076 9.197 1.00 0.00 O ATOM 1385 CB ALA A 96 -7.586 -27.464 7.307 1.00 0.00 C ATOM 0 H ALA A 96 -7.340 -25.400 8.681 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.867 -26.059 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.980 -28.326 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.694 -27.096 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.329 -27.759 8.324 1.00 0.00 H new ATOM 1391 N ARG A 97 -10.939 -27.106 7.157 1.00 0.00 N ATOM 1392 CA ARG A 97 -12.223 -27.599 7.640 1.00 0.00 C ATOM 1393 C ARG A 97 -12.836 -28.583 6.648 1.00 0.00 C ATOM 1394 O ARG A 97 -12.815 -28.355 5.438 1.00 0.00 O ATOM 1395 CB ARG A 97 -13.185 -26.434 7.879 1.00 0.00 C ATOM 1396 CG ARG A 97 -13.507 -25.642 6.622 1.00 0.00 C ATOM 1397 CD ARG A 97 -13.893 -24.209 6.950 1.00 0.00 C ATOM 1398 NE ARG A 97 -14.792 -23.641 5.948 1.00 0.00 N ATOM 1399 CZ ARG A 97 -16.059 -24.012 5.803 1.00 0.00 C ATOM 1400 NH1 ARG A 97 -16.574 -24.946 6.591 1.00 0.00 N ATOM 1401 NH2 ARG A 97 -16.813 -23.449 4.868 1.00 0.00 N ATOM 0 H ARG A 97 -10.898 -26.953 6.149 1.00 0.00 H new ATOM 0 HA ARG A 97 -12.052 -28.119 8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.112 -26.821 8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.752 -25.762 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.643 -25.644 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -14.323 -26.126 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.374 -24.178 7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.993 -23.598 7.018 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.427 -22.920 5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.997 -25.381 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.547 -25.229 6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.420 -22.731 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.786 -23.734 4.757 1.00 0.00 H new ATOM 1415 N PHE A 98 -13.381 -29.678 7.168 1.00 0.00 N ATOM 1416 CA PHE A 98 -13.999 -30.697 6.328 1.00 0.00 C ATOM 1417 C PHE A 98 -15.503 -30.769 6.576 1.00 0.00 C ATOM 1418 O PHE A 98 -15.947 -30.956 7.710 1.00 0.00 O ATOM 1419 CB PHE A 98 -13.361 -32.062 6.593 1.00 0.00 C ATOM 1420 CG PHE A 98 -14.272 -33.218 6.295 1.00 0.00 C ATOM 1421 CD1 PHE A 98 -14.725 -33.446 5.006 1.00 0.00 C ATOM 1422 CD2 PHE A 98 -14.676 -34.077 7.305 1.00 0.00 C ATOM 1423 CE1 PHE A 98 -15.564 -34.509 4.729 1.00 0.00 C ATOM 1424 CE2 PHE A 98 -15.515 -35.142 7.034 1.00 0.00 C ATOM 1425 CZ PHE A 98 -15.959 -35.358 5.745 1.00 0.00 C ATOM 0 H PHE A 98 -13.407 -29.882 8.167 1.00 0.00 H new ATOM 0 HA PHE A 98 -13.834 -30.422 5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.459 -32.156 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -13.052 -32.113 7.637 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -14.419 -32.786 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -14.331 -33.913 8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -15.910 -34.676 3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -15.823 -35.804 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 98 -16.614 -36.189 5.531 1.00 0.00 H new ATOM 1435 N ILE A 99 -16.280 -30.619 5.510 1.00 0.00 N ATOM 1436 CA ILE A 99 -17.734 -30.667 5.612 1.00 0.00 C ATOM 1437 C ILE A 99 -18.283 -31.965 5.028 1.00 0.00 C ATOM 1438 O ILE A 99 -17.533 -32.784 4.497 1.00 0.00 O ATOM 1439 CB ILE A 99 -18.389 -29.475 4.889 1.00 0.00 C ATOM 1440 CG1 ILE A 99 -17.524 -29.028 3.709 1.00 0.00 C ATOM 1441 CG2 ILE A 99 -18.607 -28.323 5.859 1.00 0.00 C ATOM 1442 CD1 ILE A 99 -18.252 -28.134 2.731 1.00 0.00 C ATOM 0 H ILE A 99 -15.928 -30.463 4.565 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.978 -30.616 6.673 1.00 0.00 H new ATOM 0 HB ILE A 99 -19.359 -29.790 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -16.649 -28.500 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.160 -29.910 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.071 -27.488 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.259 -28.648 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.648 -28.006 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -17.578 -27.856 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -19.111 -28.666 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -18.593 -27.235 3.244 1.00 0.00 H new ATOM 1454 N GLU A 100 -19.596 -32.144 5.130 1.00 0.00 N ATOM 1455 CA GLU A 100 -20.245 -33.342 4.611 1.00 0.00 C ATOM 1456 C GLU A 100 -21.628 -33.014 4.056 1.00 0.00 C ATOM 1457 O GLU A 100 -22.466 -32.436 4.748 1.00 0.00 O ATOM 1458 CB GLU A 100 -20.363 -34.401 5.709 1.00 0.00 C ATOM 1459 CG GLU A 100 -20.961 -35.713 5.228 1.00 0.00 C ATOM 1460 CD GLU A 100 -20.845 -36.820 6.258 1.00 0.00 C ATOM 1461 OE1 GLU A 100 -19.717 -37.310 6.478 1.00 0.00 O ATOM 1462 OE2 GLU A 100 -21.882 -37.195 6.844 1.00 0.00 O ATOM 0 H GLU A 100 -20.231 -31.475 5.567 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.631 -33.735 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.374 -34.593 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -20.978 -34.006 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -22.012 -35.560 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -20.460 -36.022 4.311 1.00 0.00 H new ATOM 1469 N ASP A 101 -21.859 -33.387 2.802 1.00 0.00 N ATOM 1470 CA ASP A 101 -23.140 -33.134 2.152 1.00 0.00 C ATOM 1471 C ASP A 101 -24.298 -33.567 3.046 1.00 0.00 C ATOM 1472 O ASP A 101 -24.590 -34.757 3.167 1.00 0.00 O ATOM 1473 CB ASP A 101 -23.210 -33.869 0.813 1.00 0.00 C ATOM 1474 CG ASP A 101 -24.512 -33.611 0.079 1.00 0.00 C ATOM 1475 OD1 ASP A 101 -24.760 -32.447 -0.298 1.00 0.00 O ATOM 1476 OD2 ASP A 101 -25.282 -34.574 -0.119 1.00 0.00 O ATOM 0 H ASP A 101 -21.176 -33.866 2.215 1.00 0.00 H new ATOM 0 HA ASP A 101 -23.224 -32.062 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -22.375 -33.557 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -23.098 -34.940 0.983 1.00 0.00 H new ATOM 1481 N SER A 102 -24.952 -32.594 3.671 1.00 0.00 N ATOM 1482 CA SER A 102 -26.075 -32.874 4.558 1.00 0.00 C ATOM 1483 C SER A 102 -27.348 -33.133 3.757 1.00 0.00 C ATOM 1484 O SER A 102 -27.403 -32.873 2.556 1.00 0.00 O ATOM 1485 CB SER A 102 -26.294 -31.708 5.523 1.00 0.00 C ATOM 1486 OG SER A 102 -25.509 -31.860 6.693 1.00 0.00 O ATOM 0 H SER A 102 -24.724 -31.604 3.580 1.00 0.00 H new ATOM 0 HA SER A 102 -25.838 -33.770 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.039 -30.770 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 102 -27.348 -31.649 5.794 1.00 0.00 H new ATOM 0 HG SER A 102 -25.666 -31.101 7.293 1.00 0.00 H new ATOM 1492 N GLY A 103 -28.371 -33.647 4.434 1.00 0.00 N ATOM 1493 CA GLY A 103 -29.630 -33.932 3.771 1.00 0.00 C ATOM 1494 C GLY A 103 -30.146 -32.751 2.973 1.00 0.00 C ATOM 1495 O GLY A 103 -29.959 -31.593 3.347 1.00 0.00 O ATOM 0 H GLY A 103 -28.350 -33.871 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -29.502 -34.787 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -30.373 -34.216 4.516 1.00 0.00 H new ATOM 1499 N PRO A 104 -30.811 -33.040 1.844 1.00 0.00 N ATOM 1500 CA PRO A 104 -31.368 -32.006 0.967 1.00 0.00 C ATOM 1501 C PRO A 104 -32.556 -31.287 1.599 1.00 0.00 C ATOM 1502 O PRO A 104 -33.169 -31.791 2.541 1.00 0.00 O ATOM 1503 CB PRO A 104 -31.814 -32.791 -0.268 1.00 0.00 C ATOM 1504 CG PRO A 104 -32.063 -34.173 0.230 1.00 0.00 C ATOM 1505 CD PRO A 104 -31.071 -34.398 1.338 1.00 0.00 C ATOM 0 HA PRO A 104 -30.643 -31.221 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -32.714 -32.360 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -31.046 -32.781 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -33.085 -34.279 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -31.931 -34.905 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -31.477 -35.046 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -30.160 -34.872 0.972 1.00 0.00 H new ATOM 1513 N SER A 105 -32.875 -30.108 1.076 1.00 0.00 N ATOM 1514 CA SER A 105 -33.988 -29.319 1.592 1.00 0.00 C ATOM 1515 C SER A 105 -35.181 -29.378 0.643 1.00 0.00 C ATOM 1516 O SER A 105 -35.017 -29.438 -0.576 1.00 0.00 O ATOM 1517 CB SER A 105 -33.557 -27.866 1.798 1.00 0.00 C ATOM 1518 OG SER A 105 -32.398 -27.788 2.610 1.00 0.00 O ATOM 0 H SER A 105 -32.379 -29.678 0.295 1.00 0.00 H new ATOM 0 HA SER A 105 -34.288 -29.741 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 105 -33.360 -27.401 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 105 -34.368 -27.305 2.262 1.00 0.00 H new ATOM 0 HG SER A 105 -32.142 -26.849 2.725 1.00 0.00 H new ATOM 1524 N SER A 106 -36.383 -29.360 1.211 1.00 0.00 N ATOM 1525 CA SER A 106 -37.605 -29.415 0.418 1.00 0.00 C ATOM 1526 C SER A 106 -37.733 -28.180 -0.468 1.00 0.00 C ATOM 1527 O SER A 106 -37.429 -27.065 -0.047 1.00 0.00 O ATOM 1528 CB SER A 106 -38.826 -29.530 1.332 1.00 0.00 C ATOM 1529 OG SER A 106 -39.938 -30.064 0.633 1.00 0.00 O ATOM 0 H SER A 106 -36.536 -29.308 2.218 1.00 0.00 H new ATOM 0 HA SER A 106 -37.555 -30.296 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 106 -38.588 -30.167 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 106 -39.080 -28.548 1.730 1.00 0.00 H new ATOM 0 HG SER A 106 -40.705 -30.129 1.239 1.00 0.00 H new ATOM 1535 N GLY A 107 -38.187 -28.388 -1.701 1.00 0.00 N ATOM 1536 CA GLY A 107 -38.348 -27.283 -2.628 1.00 0.00 C ATOM 1537 C GLY A 107 -39.659 -26.549 -2.433 1.00 0.00 C ATOM 1538 O GLY A 107 -40.090 -26.325 -1.302 1.00 0.00 O ATOM 0 H GLY A 107 -38.446 -29.301 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -37.521 -26.584 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -38.294 -27.659 -3.650 1.00 0.00 H new TER 1542 GLY A 107