USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 93 TYR OH : rot 0:sc= 0.983 USER MOD Set 1.2: A 97 GLN : amide:sc= -2.67 K(o=-1.7,f=-5.6!) USER MOD Set 2.1: A 13 ASN : amide:sc= -0.325 K(o=-0.32,f=-3.9!) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -5:sc= 0.24 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.141 (180deg=-0.571) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 44:sc= 0.204 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0515 (180deg=-0.292) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.814 K(o=0.81,f=-0.76) USER MOD Single : A 38 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.414 K(o=-0.41,f=-3.4!) USER MOD Single : A 57 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00617 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0.431 (180deg=0.227) USER MOD Single : A 65 MET CE :methyl -164:sc= -0.0636 (180deg=-0.484) USER MOD Single : A 66 ASN : amide:sc= -1.89 K(o=-1.9,f=-7.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-1.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 86:sc= 1.21 USER MOD Single : A 76 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.4) USER MOD Single : A 80 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.02) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= -0.0327 (180deg=-0.284) USER MOD Single : A 86 ASN : amide:sc= 1.24 K(o=1.2,f=-0.061) USER MOD Single : A 96 LYS NZ :NH3+ -138:sc= 0.128 (180deg=-0.525) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.226 -1.127 2.958 1.00 0.00 N ATOM 21 CA PHE A 2 -9.529 -1.760 2.846 1.00 0.00 C ATOM 22 C PHE A 2 -10.637 -0.716 2.794 1.00 0.00 C ATOM 23 O PHE A 2 -10.565 0.312 3.468 1.00 0.00 O ATOM 24 CB PHE A 2 -9.757 -2.708 4.022 1.00 0.00 C ATOM 25 CG PHE A 2 -8.705 -3.774 4.142 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.628 -4.798 3.211 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.793 -3.753 5.186 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.661 -5.778 3.317 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.824 -4.731 5.296 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.758 -5.745 4.362 1.00 0.00 C ATOM 0 HA PHE A 2 -9.552 -2.331 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.784 -2.129 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.733 -3.182 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.333 -4.830 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.841 -2.963 5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.611 -6.569 2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.118 -4.702 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.002 -6.511 4.448 1.00 0.00 H new ATOM 40 N THR A 3 -11.655 -0.980 1.993 1.00 0.00 N ATOM 41 CA THR A 3 -12.771 -0.060 1.849 1.00 0.00 C ATOM 42 C THR A 3 -14.103 -0.791 1.979 1.00 0.00 C ATOM 43 O THR A 3 -14.285 -1.874 1.417 1.00 0.00 O ATOM 44 CB THR A 3 -12.718 0.686 0.500 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.468 -0.237 -0.568 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.639 1.760 0.506 1.00 0.00 C ATOM 0 H THR A 3 -11.732 -1.827 1.430 1.00 0.00 H new ATOM 0 HA THR A 3 -12.688 0.672 2.653 1.00 0.00 H new ATOM 0 HB THR A 3 -13.684 1.167 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.303 -1.129 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.626 2.268 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.849 2.483 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.668 1.299 0.686 1.00 0.00 H new ATOM 54 N ALA A 4 -15.022 -0.207 2.733 1.00 0.00 N ATOM 55 CA ALA A 4 -16.342 -0.782 2.911 1.00 0.00 C ATOM 56 C ALA A 4 -17.382 0.055 2.181 1.00 0.00 C ATOM 57 O ALA A 4 -17.506 1.257 2.424 1.00 0.00 O ATOM 58 CB ALA A 4 -16.682 -0.892 4.390 1.00 0.00 C ATOM 0 H ALA A 4 -14.874 0.670 3.233 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.345 -1.786 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.676 -1.325 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.949 -1.529 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.665 0.100 4.842 1.00 0.00 H new ATOM 64 N LYS A 5 -18.109 -0.576 1.274 1.00 0.00 N ATOM 65 CA LYS A 5 -19.117 0.113 0.488 1.00 0.00 C ATOM 66 C LYS A 5 -20.514 -0.316 0.921 1.00 0.00 C ATOM 67 O LYS A 5 -20.937 -1.439 0.649 1.00 0.00 O ATOM 68 CB LYS A 5 -18.899 -0.187 -0.995 1.00 0.00 C ATOM 69 CG LYS A 5 -19.821 0.570 -1.935 1.00 0.00 C ATOM 70 CD LYS A 5 -19.439 0.306 -3.380 1.00 0.00 C ATOM 71 CE LYS A 5 -20.332 1.050 -4.354 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.861 0.890 -5.753 1.00 0.00 N ATOM 0 H LYS A 5 -18.018 -1.570 1.064 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.027 1.187 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.866 0.049 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.032 -1.256 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.854 0.266 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.765 1.638 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.403 0.603 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.498 -0.764 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -21.354 0.680 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.353 2.108 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.493 1.411 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.895 1.265 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.865 -0.118 -6.007 1.00 0.00 H new ATOM 86 N LEU A 6 -21.215 0.576 1.612 1.00 0.00 N ATOM 87 CA LEU A 6 -22.570 0.297 2.074 1.00 0.00 C ATOM 88 C LEU A 6 -23.493 0.154 0.869 1.00 0.00 C ATOM 89 O LEU A 6 -23.583 1.056 0.035 1.00 0.00 O ATOM 90 CB LEU A 6 -23.042 1.423 3.018 1.00 0.00 C ATOM 91 CG LEU A 6 -24.348 1.182 3.806 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.571 1.396 2.932 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.376 -0.216 4.413 1.00 0.00 C ATOM 0 H LEU A 6 -20.866 1.501 1.865 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.590 -0.638 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.245 1.618 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.167 2.330 2.426 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.374 1.912 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.473 1.218 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -25.577 2.420 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.543 0.704 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.307 -0.356 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.308 -0.959 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.533 -0.334 5.094 1.00 0.00 H new ATOM 105 N ILE A 7 -24.147 -0.994 0.762 1.00 0.00 N ATOM 106 CA ILE A 7 -25.027 -1.259 -0.366 1.00 0.00 C ATOM 107 C ILE A 7 -26.480 -1.369 0.083 1.00 0.00 C ATOM 108 O ILE A 7 -27.404 -1.141 -0.702 1.00 0.00 O ATOM 109 CB ILE A 7 -24.625 -2.555 -1.106 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.783 -3.776 -0.191 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.194 -2.445 -1.608 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.678 -5.102 -0.913 1.00 0.00 C ATOM 0 H ILE A 7 -24.085 -1.754 1.440 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.925 -0.416 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.288 -2.687 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.020 -3.736 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.751 -3.721 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.919 -3.363 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -23.113 -1.601 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.523 -2.292 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.800 -5.916 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.457 -5.166 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.701 -5.181 -1.389 1.00 0.00 H new ATOM 124 N LYS A 8 -26.676 -1.708 1.350 1.00 0.00 N ATOM 125 CA LYS A 8 -28.011 -1.913 1.881 1.00 0.00 C ATOM 126 C LYS A 8 -28.460 -0.713 2.708 1.00 0.00 C ATOM 127 O LYS A 8 -28.006 -0.516 3.836 1.00 0.00 O ATOM 128 CB LYS A 8 -28.060 -3.184 2.730 1.00 0.00 C ATOM 129 CG LYS A 8 -29.441 -3.481 3.280 1.00 0.00 C ATOM 130 CD LYS A 8 -29.483 -4.800 4.029 1.00 0.00 C ATOM 131 CE LYS A 8 -30.896 -5.125 4.476 1.00 0.00 C ATOM 132 NZ LYS A 8 -31.839 -5.172 3.328 1.00 0.00 N ATOM 0 H LYS A 8 -25.926 -1.846 2.027 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.694 -2.025 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.726 -4.029 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.359 -3.087 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.746 -2.675 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -30.160 -3.506 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.107 -5.598 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.825 -4.751 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -30.903 -6.085 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -31.232 -4.376 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.694 -5.696 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -32.100 -4.203 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -31.384 -5.649 2.524 1.00 0.00 H new ATOM 146 N GLY A 9 -29.350 0.084 2.140 1.00 0.00 N ATOM 147 CA GLY A 9 -29.864 1.241 2.840 1.00 0.00 C ATOM 148 C GLY A 9 -29.502 2.540 2.154 1.00 0.00 C ATOM 149 O GLY A 9 -29.690 2.681 0.947 1.00 0.00 O ATOM 0 H GLY A 9 -29.727 -0.051 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.949 1.164 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.473 1.250 3.857 1.00 0.00 H new ATOM 153 N LYS A 10 -28.961 3.474 2.927 1.00 0.00 N ATOM 154 CA LYS A 10 -28.624 4.809 2.452 1.00 0.00 C ATOM 155 C LYS A 10 -27.513 5.365 3.326 1.00 0.00 C ATOM 156 O LYS A 10 -26.531 5.908 2.833 1.00 0.00 O ATOM 157 CB LYS A 10 -29.843 5.742 2.492 1.00 0.00 C ATOM 158 CG LYS A 10 -30.905 5.414 1.453 1.00 0.00 C ATOM 159 CD LYS A 10 -32.131 6.297 1.596 1.00 0.00 C ATOM 160 CE LYS A 10 -33.182 5.944 0.558 1.00 0.00 C ATOM 161 NZ LYS A 10 -34.383 6.813 0.660 1.00 0.00 N ATOM 0 H LYS A 10 -28.742 3.323 3.912 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.295 4.745 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.292 5.694 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -29.508 6.768 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.485 5.535 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -31.198 4.369 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.550 6.184 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.845 7.343 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.752 6.037 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -33.477 4.902 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -35.074 6.537 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -34.810 6.706 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -34.107 7.805 0.516 1.00 0.00 H new ATOM 175 N THR A 11 -27.682 5.214 4.631 1.00 0.00 N ATOM 176 CA THR A 11 -26.644 5.544 5.590 1.00 0.00 C ATOM 177 C THR A 11 -26.550 4.443 6.644 1.00 0.00 C ATOM 178 O THR A 11 -27.527 3.724 6.887 1.00 0.00 O ATOM 179 CB THR A 11 -26.919 6.895 6.283 1.00 0.00 C ATOM 180 OG1 THR A 11 -28.250 6.910 6.812 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.738 8.061 5.322 1.00 0.00 C ATOM 0 H THR A 11 -28.541 4.860 5.052 1.00 0.00 H new ATOM 0 HA THR A 11 -25.702 5.627 5.048 1.00 0.00 H new ATOM 0 HB THR A 11 -26.199 7.008 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 11 -28.417 7.770 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.940 8.997 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.715 8.068 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 11 -27.430 7.955 4.487 1.00 0.00 H new ATOM 189 N TYR A 12 -25.379 4.290 7.247 1.00 0.00 N ATOM 190 CA TYR A 12 -25.197 3.324 8.322 1.00 0.00 C ATOM 191 C TYR A 12 -23.933 3.647 9.110 1.00 0.00 C ATOM 192 O TYR A 12 -22.830 3.616 8.569 1.00 0.00 O ATOM 193 CB TYR A 12 -25.127 1.900 7.757 1.00 0.00 C ATOM 194 CG TYR A 12 -25.289 0.821 8.805 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.550 0.459 9.262 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.188 0.167 9.336 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.707 -0.524 10.221 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.335 -0.820 10.293 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.596 -1.160 10.733 1.00 0.00 C ATOM 200 OH TYR A 12 -25.746 -2.140 11.691 1.00 0.00 O ATOM 0 H TYR A 12 -24.541 4.822 7.010 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.053 3.385 8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -25.904 1.780 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.169 1.765 7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.422 0.954 8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.198 0.433 8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.694 -0.792 10.567 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.467 -1.322 10.693 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.865 -2.487 11.944 1.00 0.00 H new ATOM 210 N ASN A 13 -24.101 3.977 10.383 1.00 0.00 N ATOM 211 CA ASN A 13 -22.974 4.332 11.240 1.00 0.00 C ATOM 212 C ASN A 13 -22.425 3.095 11.944 1.00 0.00 C ATOM 213 O ASN A 13 -23.098 2.498 12.787 1.00 0.00 O ATOM 214 CB ASN A 13 -23.403 5.381 12.275 1.00 0.00 C ATOM 215 CG ASN A 13 -22.236 5.988 13.043 1.00 0.00 C ATOM 216 OD1 ASN A 13 -21.202 5.357 13.247 1.00 0.00 O ATOM 217 ND2 ASN A 13 -22.397 7.232 13.468 1.00 0.00 N ATOM 0 H ASN A 13 -25.008 4.007 10.848 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.187 4.754 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.948 6.178 11.769 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.093 4.921 12.982 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.649 7.696 13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.269 7.726 13.281 1.00 0.00 H new ATOM 224 N VAL A 14 -21.212 2.709 11.577 1.00 0.00 N ATOM 225 CA VAL A 14 -20.539 1.583 12.207 1.00 0.00 C ATOM 226 C VAL A 14 -19.466 2.091 13.159 1.00 0.00 C ATOM 227 O VAL A 14 -18.443 2.620 12.717 1.00 0.00 O ATOM 228 CB VAL A 14 -19.886 0.653 11.164 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.231 -0.544 11.836 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.906 0.200 10.135 1.00 0.00 C ATOM 0 H VAL A 14 -20.671 3.163 10.841 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.291 1.013 12.753 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.109 1.217 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.778 -1.184 11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.461 -0.198 12.526 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.983 -1.109 12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.424 -0.455 9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.710 -0.341 10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.317 1.070 9.622 1.00 0.00 H new ATOM 240 N MET A 15 -19.722 1.943 14.459 1.00 0.00 N ATOM 241 CA MET A 15 -18.813 2.409 15.511 1.00 0.00 C ATOM 242 C MET A 15 -18.695 3.931 15.510 1.00 0.00 C ATOM 243 O MET A 15 -19.263 4.607 16.369 1.00 0.00 O ATOM 244 CB MET A 15 -17.425 1.765 15.386 1.00 0.00 C ATOM 245 CG MET A 15 -17.322 0.377 16.003 1.00 0.00 C ATOM 246 SD MET A 15 -18.433 -0.824 15.248 1.00 0.00 S ATOM 247 CE MET A 15 -18.014 -2.292 16.183 1.00 0.00 C ATOM 0 H MET A 15 -20.567 1.496 14.815 1.00 0.00 H new ATOM 0 HA MET A 15 -19.244 2.100 16.463 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.160 1.701 14.331 1.00 0.00 H new ATOM 0 HB3 MET A 15 -16.691 2.416 15.860 1.00 0.00 H new ATOM 0 HG2 MET A 15 -16.296 0.021 15.910 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.541 0.444 17.069 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.618 -3.130 15.835 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.958 -2.523 16.043 1.00 0.00 H new ATOM 0 HE3 MET A 15 -18.210 -2.118 17.241 1.00 0.00 H new ATOM 257 N GLY A 16 -17.960 4.466 14.548 1.00 0.00 N ATOM 258 CA GLY A 16 -17.789 5.899 14.457 1.00 0.00 C ATOM 259 C GLY A 16 -17.737 6.389 13.026 1.00 0.00 C ATOM 260 O GLY A 16 -17.490 7.569 12.775 1.00 0.00 O ATOM 0 H GLY A 16 -17.477 3.931 13.826 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.610 6.393 14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.870 6.185 14.969 1.00 0.00 H new ATOM 264 N ILE A 17 -17.978 5.488 12.083 1.00 0.00 N ATOM 265 CA ILE A 17 -17.927 5.835 10.670 1.00 0.00 C ATOM 266 C ILE A 17 -19.307 5.675 10.045 1.00 0.00 C ATOM 267 O ILE A 17 -19.879 4.587 10.053 1.00 0.00 O ATOM 268 CB ILE A 17 -16.907 4.966 9.878 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.489 5.079 10.460 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.895 5.374 8.411 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.252 4.238 11.699 1.00 0.00 C ATOM 0 H ILE A 17 -18.210 4.513 12.271 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.598 6.873 10.611 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.225 3.927 9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.771 4.786 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.290 6.123 10.701 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.178 4.759 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.889 5.233 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.610 6.423 8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.227 4.377 12.043 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.943 4.544 12.484 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.415 3.187 11.462 1.00 0.00 H new ATOM 283 N THR A 18 -19.847 6.763 9.523 1.00 0.00 N ATOM 284 CA THR A 18 -21.156 6.728 8.891 1.00 0.00 C ATOM 285 C THR A 18 -21.021 6.487 7.391 1.00 0.00 C ATOM 286 O THR A 18 -20.623 7.378 6.639 1.00 0.00 O ATOM 287 CB THR A 18 -21.931 8.035 9.134 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.914 8.350 10.533 1.00 0.00 O ATOM 289 CG2 THR A 18 -23.373 7.910 8.659 1.00 0.00 C ATOM 0 H THR A 18 -19.401 7.680 9.524 1.00 0.00 H new ATOM 0 HA THR A 18 -21.713 5.906 9.340 1.00 0.00 H new ATOM 0 HB THR A 18 -21.448 8.832 8.568 1.00 0.00 H new ATOM 0 HG1 THR A 18 -22.406 9.183 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.899 8.847 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 18 -23.387 7.689 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.867 7.105 9.203 1.00 0.00 H new ATOM 297 N PHE A 19 -21.346 5.275 6.971 1.00 0.00 N ATOM 298 CA PHE A 19 -21.259 4.904 5.569 1.00 0.00 C ATOM 299 C PHE A 19 -22.520 5.317 4.833 1.00 0.00 C ATOM 300 O PHE A 19 -23.554 5.577 5.450 1.00 0.00 O ATOM 301 CB PHE A 19 -21.050 3.396 5.431 1.00 0.00 C ATOM 302 CG PHE A 19 -19.784 2.909 6.066 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.596 2.917 5.358 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.782 2.447 7.373 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.427 2.472 5.938 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.615 2.000 7.959 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.438 2.012 7.242 1.00 0.00 C ATOM 0 H PHE A 19 -21.674 4.529 7.584 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.407 5.422 5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.896 2.877 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.041 3.133 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.584 3.276 4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.702 2.437 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.505 2.483 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.624 1.641 8.978 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.524 1.662 7.699 1.00 0.00 H new ATOM 317 N ARG A 20 -22.425 5.381 3.513 1.00 0.00 N ATOM 318 CA ARG A 20 -23.541 5.801 2.680 1.00 0.00 C ATOM 319 C ARG A 20 -23.690 4.838 1.508 1.00 0.00 C ATOM 320 O ARG A 20 -22.689 4.423 0.923 1.00 0.00 O ATOM 321 CB ARG A 20 -23.307 7.231 2.172 1.00 0.00 C ATOM 322 CG ARG A 20 -22.934 8.207 3.278 1.00 0.00 C ATOM 323 CD ARG A 20 -22.595 9.588 2.744 1.00 0.00 C ATOM 324 NE ARG A 20 -21.978 10.422 3.778 1.00 0.00 N ATOM 325 CZ ARG A 20 -22.009 11.754 3.791 1.00 0.00 C ATOM 326 NH1 ARG A 20 -22.616 12.426 2.825 1.00 0.00 N ATOM 327 NH2 ARG A 20 -21.417 12.416 4.777 1.00 0.00 N ATOM 0 H ARG A 20 -21.580 5.145 2.993 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.458 5.789 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.514 7.219 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.209 7.585 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -23.762 8.286 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.081 7.815 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.917 9.496 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.501 10.071 2.377 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.491 9.951 4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.067 11.924 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.633 13.446 2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.941 11.905 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.438 13.436 4.791 1.00 0.00 H new ATOM 341 N ALA A 21 -24.928 4.460 1.196 1.00 0.00 N ATOM 342 CA ALA A 21 -25.196 3.550 0.083 1.00 0.00 C ATOM 343 C ALA A 21 -24.606 4.066 -1.226 1.00 0.00 C ATOM 344 O ALA A 21 -25.090 5.048 -1.798 1.00 0.00 O ATOM 345 CB ALA A 21 -26.689 3.322 -0.073 1.00 0.00 C ATOM 0 H ALA A 21 -25.761 4.769 1.697 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.712 2.602 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.868 2.642 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.088 2.886 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.184 4.273 -0.268 1.00 0.00 H new ATOM 351 N GLY A 22 -23.562 3.395 -1.699 1.00 0.00 N ATOM 352 CA GLY A 22 -22.921 3.788 -2.937 1.00 0.00 C ATOM 353 C GLY A 22 -21.541 4.370 -2.716 1.00 0.00 C ATOM 354 O GLY A 22 -20.807 4.625 -3.673 1.00 0.00 O ATOM 0 H GLY A 22 -23.147 2.582 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.845 2.922 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.544 4.522 -3.448 1.00 0.00 H new ATOM 358 N VAL A 23 -21.185 4.581 -1.455 1.00 0.00 N ATOM 359 CA VAL A 23 -19.890 5.151 -1.111 1.00 0.00 C ATOM 360 C VAL A 23 -19.006 4.113 -0.425 1.00 0.00 C ATOM 361 O VAL A 23 -19.417 3.478 0.546 1.00 0.00 O ATOM 362 CB VAL A 23 -20.039 6.383 -0.192 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.684 7.017 0.093 1.00 0.00 C ATOM 364 CG2 VAL A 23 -20.986 7.402 -0.809 1.00 0.00 C ATOM 0 H VAL A 23 -21.777 4.365 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.421 5.467 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.463 6.048 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.817 7.882 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.038 6.290 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.226 7.333 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.077 8.262 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.593 7.727 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.967 6.948 -0.951 1.00 0.00 H new ATOM 374 N SER A 24 -17.803 3.939 -0.948 1.00 0.00 N ATOM 375 CA SER A 24 -16.839 3.019 -0.371 1.00 0.00 C ATOM 376 C SER A 24 -15.777 3.784 0.415 1.00 0.00 C ATOM 377 O SER A 24 -14.886 4.406 -0.168 1.00 0.00 O ATOM 378 CB SER A 24 -16.191 2.189 -1.480 1.00 0.00 C ATOM 379 OG SER A 24 -15.774 3.019 -2.552 1.00 0.00 O ATOM 0 H SER A 24 -17.470 4.428 -1.779 1.00 0.00 H new ATOM 0 HA SER A 24 -17.355 2.349 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.335 1.646 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.899 1.445 -1.844 1.00 0.00 H new ATOM 0 HG SER A 24 -15.330 3.816 -2.195 1.00 0.00 H new ATOM 385 N GLN A 25 -15.879 3.749 1.735 1.00 0.00 N ATOM 386 CA GLN A 25 -14.946 4.475 2.584 1.00 0.00 C ATOM 387 C GLN A 25 -13.907 3.533 3.175 1.00 0.00 C ATOM 388 O GLN A 25 -14.178 2.350 3.390 1.00 0.00 O ATOM 389 CB GLN A 25 -15.691 5.219 3.695 1.00 0.00 C ATOM 390 CG GLN A 25 -16.612 6.312 3.174 1.00 0.00 C ATOM 391 CD GLN A 25 -17.252 7.131 4.279 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.503 6.638 5.376 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.516 8.398 3.997 1.00 0.00 N ATOM 0 H GLN A 25 -16.596 3.228 2.240 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.429 5.209 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.277 4.504 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.965 5.660 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.045 6.975 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.395 5.859 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.293 8.772 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.942 8.999 4.702 1.00 0.00 H new ATOM 402 N THR A 26 -12.715 4.062 3.419 1.00 0.00 N ATOM 403 CA THR A 26 -11.614 3.273 3.951 1.00 0.00 C ATOM 404 C THR A 26 -11.837 2.957 5.426 1.00 0.00 C ATOM 405 O THR A 26 -12.189 3.837 6.210 1.00 0.00 O ATOM 406 CB THR A 26 -10.279 4.021 3.769 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.112 4.356 2.384 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.100 3.179 4.235 1.00 0.00 C ATOM 0 H THR A 26 -12.486 5.042 3.255 1.00 0.00 H new ATOM 0 HA THR A 26 -11.572 2.335 3.398 1.00 0.00 H new ATOM 0 HB THR A 26 -10.307 4.925 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.265 4.834 2.263 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.175 3.738 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.219 2.939 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.060 2.257 3.656 1.00 0.00 H new ATOM 416 N VAL A 27 -11.644 1.696 5.793 1.00 0.00 N ATOM 417 CA VAL A 27 -11.891 1.256 7.158 1.00 0.00 C ATOM 418 C VAL A 27 -10.677 0.541 7.738 1.00 0.00 C ATOM 419 O VAL A 27 -9.843 0.011 6.998 1.00 0.00 O ATOM 420 CB VAL A 27 -13.107 0.306 7.240 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.353 0.989 6.720 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.850 -0.988 6.476 1.00 0.00 C ATOM 0 H VAL A 27 -11.318 0.962 5.164 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.098 2.155 7.738 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.261 0.052 8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.198 0.304 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.558 1.877 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.202 1.279 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.724 -1.635 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.658 -0.760 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.984 -1.496 6.901 1.00 0.00 H new ATOM 432 N PRO A 28 -10.555 0.537 9.073 1.00 0.00 N ATOM 433 CA PRO A 28 -9.535 -0.246 9.771 1.00 0.00 C ATOM 434 C PRO A 28 -9.755 -1.740 9.560 1.00 0.00 C ATOM 435 O PRO A 28 -10.889 -2.186 9.374 1.00 0.00 O ATOM 436 CB PRO A 28 -9.735 0.122 11.249 1.00 0.00 C ATOM 437 CG PRO A 28 -10.533 1.380 11.237 1.00 0.00 C ATOM 438 CD PRO A 28 -11.386 1.312 10.007 1.00 0.00 C ATOM 0 HA PRO A 28 -8.528 -0.033 9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.258 -0.670 11.784 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.778 0.268 11.751 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.147 1.462 12.134 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.883 2.255 11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.339 0.821 10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.613 2.304 9.618 1.00 0.00 H new ATOM 446 N LYS A 29 -8.679 -2.516 9.613 1.00 0.00 N ATOM 447 CA LYS A 29 -8.755 -3.950 9.338 1.00 0.00 C ATOM 448 C LYS A 29 -9.605 -4.687 10.376 1.00 0.00 C ATOM 449 O LYS A 29 -10.112 -5.775 10.108 1.00 0.00 O ATOM 450 CB LYS A 29 -7.346 -4.555 9.226 1.00 0.00 C ATOM 451 CG LYS A 29 -6.372 -4.109 10.309 1.00 0.00 C ATOM 452 CD LYS A 29 -6.481 -4.954 11.568 1.00 0.00 C ATOM 453 CE LYS A 29 -5.524 -4.469 12.646 1.00 0.00 C ATOM 454 NZ LYS A 29 -4.115 -4.421 12.169 1.00 0.00 N ATOM 0 H LYS A 29 -7.744 -2.179 9.843 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.255 -4.078 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.429 -5.641 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.930 -4.294 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.354 -4.165 9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.562 -3.065 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.503 -4.919 11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.265 -5.995 11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.827 -3.476 12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.590 -5.128 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.478 -4.284 12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.880 -5.314 11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.001 -3.631 11.502 1.00 0.00 H new ATOM 468 N LYS A 30 -9.782 -4.082 11.548 1.00 0.00 N ATOM 469 CA LYS A 30 -10.673 -4.643 12.562 1.00 0.00 C ATOM 470 C LYS A 30 -12.124 -4.554 12.097 1.00 0.00 C ATOM 471 O LYS A 30 -12.889 -5.514 12.197 1.00 0.00 O ATOM 472 CB LYS A 30 -10.530 -3.910 13.898 1.00 0.00 C ATOM 473 CG LYS A 30 -9.127 -3.936 14.481 1.00 0.00 C ATOM 474 CD LYS A 30 -9.116 -3.414 15.911 1.00 0.00 C ATOM 475 CE LYS A 30 -9.735 -2.026 16.010 1.00 0.00 C ATOM 476 NZ LYS A 30 -9.816 -1.552 17.416 1.00 0.00 N ATOM 0 H LYS A 30 -9.325 -3.211 11.818 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.392 -5.687 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.835 -2.872 13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.218 -4.354 14.618 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.740 -4.955 14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.463 -3.330 13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.664 -4.103 16.554 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.090 -3.382 16.279 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.144 -1.323 15.424 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.734 -2.043 15.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.243 -0.604 17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.401 -2.209 17.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.860 -1.511 17.824 1.00 0.00 H new ATOM 490 N LEU A 31 -12.493 -3.388 11.578 1.00 0.00 N ATOM 491 CA LEU A 31 -13.853 -3.157 11.114 1.00 0.00 C ATOM 492 C LEU A 31 -14.089 -3.859 9.786 1.00 0.00 C ATOM 493 O LEU A 31 -15.220 -4.208 9.455 1.00 0.00 O ATOM 494 CB LEU A 31 -14.137 -1.660 10.975 1.00 0.00 C ATOM 495 CG LEU A 31 -14.174 -0.878 12.288 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.464 0.590 12.024 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.217 -1.463 13.226 1.00 0.00 C ATOM 0 H LEU A 31 -11.868 -2.589 11.469 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.536 -3.569 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.375 -1.221 10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.094 -1.534 10.469 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.197 -0.958 12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.487 1.132 12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.684 1.006 11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.429 0.687 11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.230 -0.894 14.156 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.199 -1.412 12.756 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.971 -2.503 13.440 1.00 0.00 H new ATOM 509 N TYR A 32 -13.014 -4.064 9.033 1.00 0.00 N ATOM 510 CA TYR A 32 -13.092 -4.780 7.769 1.00 0.00 C ATOM 511 C TYR A 32 -13.675 -6.172 7.984 1.00 0.00 C ATOM 512 O TYR A 32 -14.621 -6.561 7.316 1.00 0.00 O ATOM 513 CB TYR A 32 -11.709 -4.881 7.117 1.00 0.00 C ATOM 514 CG TYR A 32 -11.713 -5.581 5.774 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.226 -4.955 4.647 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.204 -6.868 5.636 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.232 -5.587 3.418 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.206 -7.507 4.410 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.721 -6.861 3.306 1.00 0.00 C ATOM 520 OH TYR A 32 -11.723 -7.492 2.080 1.00 0.00 O ATOM 0 H TYR A 32 -12.077 -3.743 9.278 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.748 -4.223 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.303 -3.877 6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.038 -5.414 7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.628 -3.956 4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.801 -7.376 6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.635 -5.085 2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.807 -8.506 4.318 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.327 -8.384 2.170 1.00 0.00 H new ATOM 530 N GLU A 33 -13.118 -6.902 8.938 1.00 0.00 N ATOM 531 CA GLU A 33 -13.592 -8.247 9.248 1.00 0.00 C ATOM 532 C GLU A 33 -14.960 -8.206 9.927 1.00 0.00 C ATOM 533 O GLU A 33 -15.795 -9.089 9.720 1.00 0.00 O ATOM 534 CB GLU A 33 -12.572 -8.972 10.123 1.00 0.00 C ATOM 535 CG GLU A 33 -11.307 -9.350 9.370 1.00 0.00 C ATOM 536 CD GLU A 33 -11.467 -10.611 8.558 1.00 0.00 C ATOM 537 OE1 GLU A 33 -11.935 -10.525 7.412 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.109 -11.694 9.064 1.00 0.00 O ATOM 0 H GLU A 33 -12.336 -6.588 9.513 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.705 -8.797 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.309 -8.336 10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.028 -9.874 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.024 -8.531 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.492 -9.482 10.081 1.00 0.00 H new ATOM 545 N TYR A 34 -15.195 -7.168 10.719 1.00 0.00 N ATOM 546 CA TYR A 34 -16.486 -6.993 11.377 1.00 0.00 C ATOM 547 C TYR A 34 -17.600 -6.824 10.343 1.00 0.00 C ATOM 548 O TYR A 34 -18.655 -7.451 10.441 1.00 0.00 O ATOM 549 CB TYR A 34 -16.453 -5.787 12.321 1.00 0.00 C ATOM 550 CG TYR A 34 -17.777 -5.513 13.002 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.286 -6.390 13.952 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.516 -4.376 12.696 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.495 -6.142 14.576 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.724 -4.122 13.315 1.00 0.00 C ATOM 555 CZ TYR A 34 -20.210 -5.008 14.253 1.00 0.00 C ATOM 556 OH TYR A 34 -21.414 -4.757 14.874 1.00 0.00 O ATOM 0 H TYR A 34 -14.513 -6.437 10.922 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.690 -7.888 11.965 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.690 -5.953 13.082 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.154 -4.903 11.757 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.729 -7.279 14.207 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.139 -3.680 11.962 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.877 -6.833 15.313 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.285 -3.234 13.066 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.789 -3.918 14.534 1.00 0.00 H new ATOM 566 N LEU A 35 -17.359 -5.983 9.348 1.00 0.00 N ATOM 567 CA LEU A 35 -18.332 -5.763 8.286 1.00 0.00 C ATOM 568 C LEU A 35 -18.277 -6.898 7.275 1.00 0.00 C ATOM 569 O LEU A 35 -19.215 -7.116 6.518 1.00 0.00 O ATOM 570 CB LEU A 35 -18.086 -4.419 7.603 1.00 0.00 C ATOM 571 CG LEU A 35 -18.184 -3.207 8.530 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.962 -1.919 7.756 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.533 -3.181 9.233 1.00 0.00 C ATOM 0 H LEU A 35 -16.500 -5.442 9.253 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.329 -5.743 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.095 -4.433 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.806 -4.300 6.794 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.403 -3.291 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.036 -1.069 8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.972 -1.934 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.719 -1.828 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.585 -2.312 9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.329 -3.124 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.653 -4.089 9.824 1.00 0.00 H new ATOM 585 N ASN A 36 -17.170 -7.618 7.281 1.00 0.00 N ATOM 586 CA ASN A 36 -17.007 -8.815 6.464 1.00 0.00 C ATOM 587 C ASN A 36 -18.023 -9.875 6.890 1.00 0.00 C ATOM 588 O ASN A 36 -18.519 -10.649 6.071 1.00 0.00 O ATOM 589 CB ASN A 36 -15.559 -9.315 6.608 1.00 0.00 C ATOM 590 CG ASN A 36 -15.246 -10.608 5.880 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.899 -10.973 4.906 1.00 0.00 O ATOM 592 ND2 ASN A 36 -14.195 -11.282 6.327 1.00 0.00 N ATOM 0 H ASN A 36 -16.355 -7.392 7.852 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.193 -8.592 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.886 -8.539 6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.343 -9.452 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.901 -12.139 5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.680 -10.944 7.140 1.00 0.00 H new ATOM 599 N GLU A 37 -18.361 -9.877 8.177 1.00 0.00 N ATOM 600 CA GLU A 37 -19.377 -10.784 8.702 1.00 0.00 C ATOM 601 C GLU A 37 -20.794 -10.222 8.521 1.00 0.00 C ATOM 602 O GLU A 37 -21.772 -10.869 8.898 1.00 0.00 O ATOM 603 CB GLU A 37 -19.150 -11.052 10.189 1.00 0.00 C ATOM 604 CG GLU A 37 -17.822 -11.704 10.522 1.00 0.00 C ATOM 605 CD GLU A 37 -17.753 -12.113 11.978 1.00 0.00 C ATOM 606 OE1 GLU A 37 -17.546 -11.235 12.843 1.00 0.00 O ATOM 607 OE2 GLU A 37 -17.944 -13.310 12.274 1.00 0.00 O ATOM 0 H GLU A 37 -17.946 -9.260 8.875 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.287 -11.711 8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.221 -10.108 10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.954 -11.690 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.677 -12.580 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.010 -11.012 10.299 1.00 0.00 H new ATOM 614 N ASN A 38 -20.907 -9.024 7.956 1.00 0.00 N ATOM 615 CA ASN A 38 -22.202 -8.355 7.846 1.00 0.00 C ATOM 616 C ASN A 38 -22.533 -8.002 6.399 1.00 0.00 C ATOM 617 O ASN A 38 -21.848 -7.198 5.768 1.00 0.00 O ATOM 618 CB ASN A 38 -22.240 -7.094 8.720 1.00 0.00 C ATOM 619 CG ASN A 38 -22.480 -7.407 10.187 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.624 -7.483 10.633 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.410 -7.582 10.950 1.00 0.00 N ATOM 0 H ASN A 38 -20.124 -8.498 7.569 1.00 0.00 H new ATOM 0 HA ASN A 38 -22.958 -9.054 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.298 -6.556 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.027 -6.431 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.520 -7.787 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.477 -7.511 10.544 1.00 0.00 H new ATOM 628 N PRO A 39 -23.622 -8.577 5.866 1.00 0.00 N ATOM 629 CA PRO A 39 -24.013 -8.415 4.457 1.00 0.00 C ATOM 630 C PRO A 39 -24.659 -7.061 4.145 1.00 0.00 C ATOM 631 O PRO A 39 -25.606 -6.979 3.365 1.00 0.00 O ATOM 632 CB PRO A 39 -25.027 -9.539 4.257 1.00 0.00 C ATOM 633 CG PRO A 39 -25.649 -9.721 5.596 1.00 0.00 C ATOM 634 CD PRO A 39 -24.565 -9.444 6.600 1.00 0.00 C ATOM 0 HA PRO A 39 -23.146 -8.455 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.771 -9.273 3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.543 -10.454 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.489 -9.040 5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -26.038 -10.733 5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -24.958 -8.947 7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.085 -10.364 6.936 1.00 0.00 H new ATOM 642 N TYR A 40 -24.139 -5.998 4.742 1.00 0.00 N ATOM 643 CA TYR A 40 -24.621 -4.652 4.453 1.00 0.00 C ATOM 644 C TYR A 40 -23.706 -3.971 3.446 1.00 0.00 C ATOM 645 O TYR A 40 -24.082 -2.983 2.811 1.00 0.00 O ATOM 646 CB TYR A 40 -24.662 -3.789 5.715 1.00 0.00 C ATOM 647 CG TYR A 40 -25.564 -4.294 6.812 1.00 0.00 C ATOM 648 CD1 TYR A 40 -26.940 -4.285 6.662 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.034 -4.762 8.008 1.00 0.00 C ATOM 650 CE1 TYR A 40 -27.769 -4.731 7.670 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.855 -5.209 9.023 1.00 0.00 C ATOM 652 CZ TYR A 40 -27.224 -5.192 8.851 1.00 0.00 C ATOM 653 OH TYR A 40 -28.049 -5.638 9.858 1.00 0.00 O ATOM 0 H TYR A 40 -23.385 -6.040 5.428 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.629 -4.751 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -23.650 -3.704 6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -24.982 -2.784 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -27.372 -3.923 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -23.963 -4.776 8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -28.841 -4.719 7.536 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.428 -5.570 9.947 1.00 0.00 H new ATOM 0 HH TYR A 40 -27.507 -5.929 10.620 1.00 0.00 H new ATOM 663 N PHE A 41 -22.500 -4.502 3.309 1.00 0.00 N ATOM 664 CA PHE A 41 -21.455 -3.831 2.558 1.00 0.00 C ATOM 665 C PHE A 41 -20.849 -4.739 1.500 1.00 0.00 C ATOM 666 O PHE A 41 -20.759 -5.952 1.680 1.00 0.00 O ATOM 667 CB PHE A 41 -20.330 -3.376 3.499 1.00 0.00 C ATOM 668 CG PHE A 41 -20.767 -2.465 4.612 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.320 -2.978 5.775 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.614 -1.094 4.500 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.714 -2.142 6.800 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.003 -0.254 5.522 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.555 -0.777 6.673 1.00 0.00 C ATOM 0 H PHE A 41 -22.223 -5.398 3.710 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.917 -2.973 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -19.861 -4.258 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.567 -2.867 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.444 -4.046 5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.185 -0.677 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.146 -2.555 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.875 0.814 5.421 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.862 -0.120 7.473 1.00 0.00 H new ATOM 683 N ILE A 42 -20.442 -4.137 0.396 1.00 0.00 N ATOM 684 CA ILE A 42 -19.526 -4.787 -0.521 1.00 0.00 C ATOM 685 C ILE A 42 -18.125 -4.278 -0.213 1.00 0.00 C ATOM 686 O ILE A 42 -17.782 -3.138 -0.523 1.00 0.00 O ATOM 687 CB ILE A 42 -19.874 -4.510 -2.004 1.00 0.00 C ATOM 688 CG1 ILE A 42 -21.182 -5.211 -2.379 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.744 -4.963 -2.923 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.615 -4.974 -3.811 1.00 0.00 C ATOM 0 H ILE A 42 -20.732 -3.200 0.114 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.598 -5.866 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.002 -3.435 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -21.068 -6.283 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -21.971 -4.869 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.013 -4.757 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.831 -4.423 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.579 -6.033 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -22.549 -5.503 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.762 -3.906 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.845 -5.342 -4.489 1.00 0.00 H new ATOM 702 N LEU A 43 -17.339 -5.103 0.454 1.00 0.00 N ATOM 703 CA LEU A 43 -16.023 -4.687 0.900 1.00 0.00 C ATOM 704 C LEU A 43 -14.991 -4.924 -0.187 1.00 0.00 C ATOM 705 O LEU A 43 -14.932 -5.999 -0.781 1.00 0.00 O ATOM 706 CB LEU A 43 -15.620 -5.411 2.188 1.00 0.00 C ATOM 707 CG LEU A 43 -16.540 -5.167 3.389 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.705 -6.144 3.395 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.755 -5.257 4.684 1.00 0.00 C ATOM 0 H LEU A 43 -17.588 -6.062 0.698 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.065 -3.619 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.586 -6.482 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.609 -5.105 2.457 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.951 -4.161 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -18.341 -5.947 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.286 -6.023 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.324 -7.164 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.423 -5.081 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.312 -6.249 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.965 -4.506 4.684 1.00 0.00 H new ATOM 721 N THR A 44 -14.194 -3.907 -0.449 1.00 0.00 N ATOM 722 CA THR A 44 -13.193 -3.970 -1.492 1.00 0.00 C ATOM 723 C THR A 44 -11.794 -3.792 -0.906 1.00 0.00 C ATOM 724 O THR A 44 -11.537 -2.845 -0.153 1.00 0.00 O ATOM 725 CB THR A 44 -13.453 -2.884 -2.554 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.818 -2.962 -2.999 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.520 -3.043 -3.746 1.00 0.00 C ATOM 0 H THR A 44 -14.222 -3.019 0.053 1.00 0.00 H new ATOM 0 HA THR A 44 -13.256 -4.951 -1.963 1.00 0.00 H new ATOM 0 HB THR A 44 -13.264 -1.911 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.982 -2.270 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.728 -2.262 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.486 -2.961 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.677 -4.020 -4.203 1.00 0.00 H new ATOM 877 N PRO A 54 -7.357 17.790 -1.805 1.00 0.00 N ATOM 878 CA PRO A 54 -7.049 19.213 -1.928 1.00 0.00 C ATOM 879 C PRO A 54 -7.753 20.022 -0.850 1.00 0.00 C ATOM 880 O PRO A 54 -8.884 20.460 -1.026 1.00 0.00 O ATOM 881 CB PRO A 54 -7.572 19.593 -3.321 1.00 0.00 C ATOM 882 CG PRO A 54 -7.848 18.295 -4.005 1.00 0.00 C ATOM 883 CD PRO A 54 -8.197 17.328 -2.913 1.00 0.00 C ATOM 0 HA PRO A 54 -5.985 19.417 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.474 20.200 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.836 20.179 -3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.667 18.394 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.977 17.955 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.257 17.364 -2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.970 16.299 -3.193 1.00 0.00 H new ATOM 891 N ILE A 55 -7.089 20.161 0.285 1.00 0.00 N ATOM 892 CA ILE A 55 -7.633 20.886 1.421 1.00 0.00 C ATOM 893 C ILE A 55 -6.555 20.959 2.510 1.00 0.00 C ATOM 894 O ILE A 55 -6.830 21.006 3.708 1.00 0.00 O ATOM 895 CB ILE A 55 -8.919 20.191 1.937 1.00 0.00 C ATOM 896 CG1 ILE A 55 -9.684 21.101 2.895 1.00 0.00 C ATOM 897 CG2 ILE A 55 -8.603 18.853 2.591 1.00 0.00 C ATOM 898 CD1 ILE A 55 -10.207 22.361 2.243 1.00 0.00 C ATOM 0 H ILE A 55 -6.159 19.775 0.445 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.911 21.898 1.127 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.557 19.994 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.521 20.547 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.030 21.375 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.527 18.392 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.123 18.197 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.932 19.010 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.740 22.959 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.373 22.937 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.886 22.096 1.433 1.00 0.00 H new ATOM 910 N ASN A 56 -5.308 20.998 2.052 1.00 0.00 N ATOM 911 CA ASN A 56 -4.146 20.940 2.927 1.00 0.00 C ATOM 912 C ASN A 56 -3.006 21.724 2.287 1.00 0.00 C ATOM 913 O ASN A 56 -2.309 21.217 1.405 1.00 0.00 O ATOM 914 CB ASN A 56 -3.727 19.479 3.142 1.00 0.00 C ATOM 915 CG ASN A 56 -2.614 19.303 4.164 1.00 0.00 C ATOM 916 OD1 ASN A 56 -1.785 20.189 4.381 1.00 0.00 O ATOM 917 ND2 ASN A 56 -2.579 18.134 4.788 1.00 0.00 N ATOM 0 H ASN A 56 -5.076 21.071 1.061 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.391 21.377 3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.596 18.905 3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.402 19.060 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.849 17.944 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.283 17.425 4.582 1.00 0.00 H new ATOM 924 N TYR A 57 -2.852 22.973 2.695 1.00 0.00 N ATOM 925 CA TYR A 57 -1.850 23.851 2.107 1.00 0.00 C ATOM 926 C TYR A 57 -1.233 24.747 3.173 1.00 0.00 C ATOM 927 O TYR A 57 -1.755 24.857 4.285 1.00 0.00 O ATOM 928 CB TYR A 57 -2.468 24.721 1.003 1.00 0.00 C ATOM 929 CG TYR A 57 -3.018 23.945 -0.178 1.00 0.00 C ATOM 930 CD1 TYR A 57 -2.209 23.620 -1.259 1.00 0.00 C ATOM 931 CD2 TYR A 57 -4.347 23.537 -0.208 1.00 0.00 C ATOM 932 CE1 TYR A 57 -2.707 22.913 -2.336 1.00 0.00 C ATOM 933 CE2 TYR A 57 -4.853 22.827 -1.281 1.00 0.00 C ATOM 934 CZ TYR A 57 -4.028 22.517 -2.342 1.00 0.00 C ATOM 935 OH TYR A 57 -4.526 21.814 -3.417 1.00 0.00 O ATOM 0 H TYR A 57 -3.409 23.404 3.433 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.072 23.225 1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.272 25.317 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.712 25.419 0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.173 23.925 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.995 23.779 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.065 22.671 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.888 22.517 -1.288 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.809 21.282 -3.821 1.00 0.00 H new ATOM 945 N THR A 58 -0.117 25.374 2.829 1.00 0.00 N ATOM 946 CA THR A 58 0.528 26.341 3.706 1.00 0.00 C ATOM 947 C THR A 58 -0.366 27.552 3.905 1.00 0.00 C ATOM 948 O THR A 58 -0.869 28.111 2.941 1.00 0.00 O ATOM 949 CB THR A 58 1.891 26.772 3.128 1.00 0.00 C ATOM 950 OG1 THR A 58 2.651 25.606 2.781 1.00 0.00 O ATOM 951 CG2 THR A 58 2.676 27.602 4.134 1.00 0.00 C ATOM 0 H THR A 58 0.364 25.229 1.941 1.00 0.00 H new ATOM 0 HA THR A 58 0.697 25.869 4.674 1.00 0.00 H new ATOM 0 HB THR A 58 1.711 27.382 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.517 25.878 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.633 27.892 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.108 28.496 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.850 27.013 5.034 1.00 0.00 H new ATOM 959 N GLU A 59 -0.578 27.944 5.155 1.00 0.00 N ATOM 960 CA GLU A 59 -1.403 29.104 5.453 1.00 0.00 C ATOM 961 C GLU A 59 -0.794 30.351 4.844 1.00 0.00 C ATOM 962 O GLU A 59 -1.508 31.200 4.327 1.00 0.00 O ATOM 963 CB GLU A 59 -1.621 29.299 6.959 1.00 0.00 C ATOM 964 CG GLU A 59 -0.364 29.183 7.817 1.00 0.00 C ATOM 965 CD GLU A 59 0.005 27.747 8.141 1.00 0.00 C ATOM 966 OE1 GLU A 59 0.672 27.095 7.310 1.00 0.00 O ATOM 967 OE2 GLU A 59 -0.371 27.261 9.228 1.00 0.00 O ATOM 0 H GLU A 59 -0.191 27.477 5.975 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.382 28.924 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.063 30.282 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.346 28.562 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.468 29.657 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.514 29.732 8.747 1.00 0.00 H new ATOM 974 N SER A 60 0.525 30.444 4.888 1.00 0.00 N ATOM 975 CA SER A 60 1.238 31.526 4.236 1.00 0.00 C ATOM 976 C SER A 60 1.000 31.476 2.731 1.00 0.00 C ATOM 977 O SER A 60 0.973 32.509 2.062 1.00 0.00 O ATOM 978 CB SER A 60 2.728 31.411 4.533 1.00 0.00 C ATOM 979 OG SER A 60 2.945 31.103 5.898 1.00 0.00 O ATOM 0 H SER A 60 1.126 29.777 5.373 1.00 0.00 H new ATOM 0 HA SER A 60 0.870 32.478 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.170 30.637 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.227 32.347 4.283 1.00 0.00 H new ATOM 0 HG SER A 60 3.907 31.032 6.068 1.00 0.00 H new ATOM 985 N GLU A 61 0.805 30.269 2.203 1.00 0.00 N ATOM 986 CA GLU A 61 0.527 30.110 0.782 1.00 0.00 C ATOM 987 C GLU A 61 -0.935 30.449 0.499 1.00 0.00 C ATOM 988 O GLU A 61 -1.270 31.023 -0.536 1.00 0.00 O ATOM 989 CB GLU A 61 0.851 28.682 0.336 1.00 0.00 C ATOM 990 CG GLU A 61 0.679 28.444 -1.154 1.00 0.00 C ATOM 991 CD GLU A 61 1.162 27.075 -1.572 1.00 0.00 C ATOM 992 OE1 GLU A 61 2.372 26.927 -1.850 1.00 0.00 O ATOM 993 OE2 GLU A 61 0.342 26.138 -1.618 1.00 0.00 O ATOM 0 H GLU A 61 0.834 29.398 2.733 1.00 0.00 H new ATOM 0 HA GLU A 61 1.158 30.794 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.879 28.451 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.210 27.988 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.373 28.553 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.228 29.206 -1.708 1.00 0.00 H new ATOM 1000 N LEU A 62 -1.794 30.113 1.450 1.00 0.00 N ATOM 1001 CA LEU A 62 -3.219 30.384 1.345 1.00 0.00 C ATOM 1002 C LEU A 62 -3.519 31.849 1.641 1.00 0.00 C ATOM 1003 O LEU A 62 -4.609 32.335 1.354 1.00 0.00 O ATOM 1004 CB LEU A 62 -4.002 29.474 2.297 1.00 0.00 C ATOM 1005 CG LEU A 62 -3.904 27.978 1.989 1.00 0.00 C ATOM 1006 CD1 LEU A 62 -4.632 27.164 3.047 1.00 0.00 C ATOM 1007 CD2 LEU A 62 -4.465 27.681 0.606 1.00 0.00 C ATOM 0 H LEU A 62 -1.523 29.645 2.315 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.532 30.176 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.646 29.644 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.052 29.766 2.274 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.852 27.693 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.551 26.103 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.185 27.353 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.683 27.451 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.387 26.613 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.512 27.983 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.898 28.234 -0.143 1.00 0.00 H new ATOM 1019 N LYS A 63 -2.550 32.546 2.225 1.00 0.00 N ATOM 1020 CA LYS A 63 -2.661 33.984 2.428 1.00 0.00 C ATOM 1021 C LYS A 63 -2.670 34.690 1.076 1.00 0.00 C ATOM 1022 O LYS A 63 -3.242 35.772 0.926 1.00 0.00 O ATOM 1023 CB LYS A 63 -1.520 34.498 3.313 1.00 0.00 C ATOM 1024 CG LYS A 63 -1.678 34.147 4.787 1.00 0.00 C ATOM 1025 CD LYS A 63 -2.930 34.762 5.401 1.00 0.00 C ATOM 1026 CE LYS A 63 -3.092 34.337 6.853 1.00 0.00 C ATOM 1027 NZ LYS A 63 -4.256 34.993 7.510 1.00 0.00 N ATOM 0 H LYS A 63 -1.680 32.138 2.566 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.597 34.201 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.578 34.087 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.455 35.581 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.718 33.063 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.801 34.491 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.872 35.849 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.807 34.457 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.214 33.255 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.183 34.580 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.131 34.969 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.323 35.981 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.129 34.488 7.255 1.00 0.00 H new ATOM 1041 N GLY A 64 -2.034 34.058 0.097 1.00 0.00 N ATOM 1042 CA GLY A 64 -2.152 34.497 -1.276 1.00 0.00 C ATOM 1043 C GLY A 64 -3.189 33.667 -1.999 1.00 0.00 C ATOM 1044 O GLY A 64 -4.148 33.209 -1.367 1.00 0.00 O ATOM 0 H GLY A 64 -1.435 33.244 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.432 35.550 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.189 34.408 -1.779 1.00 0.00 H new ATOM 1048 N MET A 65 -3.001 33.459 -3.304 1.00 0.00 N ATOM 1049 CA MET A 65 -3.888 32.591 -4.089 1.00 0.00 C ATOM 1050 C MET A 65 -5.284 33.216 -4.239 1.00 0.00 C ATOM 1051 O MET A 65 -5.871 33.705 -3.270 1.00 0.00 O ATOM 1052 CB MET A 65 -3.970 31.204 -3.427 1.00 0.00 C ATOM 1053 CG MET A 65 -4.998 30.275 -4.036 1.00 0.00 C ATOM 1054 SD MET A 65 -5.147 28.718 -3.138 1.00 0.00 S ATOM 1055 CE MET A 65 -3.508 28.031 -3.378 1.00 0.00 C ATOM 0 H MET A 65 -2.243 33.879 -3.842 1.00 0.00 H new ATOM 0 HA MET A 65 -3.475 32.479 -5.091 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.991 30.729 -3.486 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.198 31.334 -2.369 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.967 30.774 -4.054 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.727 30.068 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.520 26.968 -3.137 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.206 28.164 -4.417 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.800 28.542 -2.726 1.00 0.00 H new ATOM 1065 N ASN A 66 -5.829 33.190 -5.451 1.00 0.00 N ATOM 1066 CA ASN A 66 -7.100 33.864 -5.704 1.00 0.00 C ATOM 1067 C ASN A 66 -8.264 33.094 -5.087 1.00 0.00 C ATOM 1068 O ASN A 66 -8.139 31.916 -4.738 1.00 0.00 O ATOM 1069 CB ASN A 66 -7.353 34.098 -7.204 1.00 0.00 C ATOM 1070 CG ASN A 66 -7.503 32.821 -8.007 1.00 0.00 C ATOM 1071 OD1 ASN A 66 -8.546 32.171 -7.970 1.00 0.00 O ATOM 1072 ND2 ASN A 66 -6.487 32.486 -8.784 1.00 0.00 N ATOM 0 H ASN A 66 -5.422 32.720 -6.259 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.031 34.842 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.256 34.698 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.528 34.680 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.552 31.662 -9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.638 33.052 -8.786 1.00 0.00 H new ATOM 1079 N LYS A 67 -9.393 33.780 -4.958 1.00 0.00 N ATOM 1080 CA LYS A 67 -10.577 33.233 -4.305 1.00 0.00 C ATOM 1081 C LYS A 67 -11.043 31.929 -4.954 1.00 0.00 C ATOM 1082 O LYS A 67 -11.399 30.977 -4.252 1.00 0.00 O ATOM 1083 CB LYS A 67 -11.708 34.268 -4.333 1.00 0.00 C ATOM 1084 CG LYS A 67 -12.035 34.776 -5.729 1.00 0.00 C ATOM 1085 CD LYS A 67 -13.168 35.790 -5.714 1.00 0.00 C ATOM 1086 CE LYS A 67 -14.470 35.168 -5.242 1.00 0.00 C ATOM 1087 NZ LYS A 67 -15.593 36.137 -5.299 1.00 0.00 N ATOM 0 H LYS A 67 -9.514 34.732 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.310 33.004 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.604 33.826 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.431 35.114 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.147 35.231 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.309 33.935 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.904 36.622 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.302 36.201 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.705 34.302 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.352 34.807 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.466 35.677 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.380 36.952 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.722 36.462 -6.279 1.00 0.00 H new ATOM 1101 N ALA A 68 -11.012 31.883 -6.283 1.00 0.00 N ATOM 1102 CA ALA A 68 -11.532 30.744 -7.030 1.00 0.00 C ATOM 1103 C ALA A 68 -10.753 29.473 -6.718 1.00 0.00 C ATOM 1104 O ALA A 68 -11.336 28.394 -6.611 1.00 0.00 O ATOM 1105 CB ALA A 68 -11.508 31.033 -8.523 1.00 0.00 C ATOM 0 H ALA A 68 -10.630 32.627 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.565 30.584 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -11.899 30.173 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.124 31.907 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -10.483 31.227 -8.840 1.00 0.00 H new ATOM 1111 N GLU A 69 -9.439 29.605 -6.561 1.00 0.00 N ATOM 1112 CA GLU A 69 -8.594 28.462 -6.235 1.00 0.00 C ATOM 1113 C GLU A 69 -9.025 27.842 -4.909 1.00 0.00 C ATOM 1114 O GLU A 69 -9.348 26.658 -4.854 1.00 0.00 O ATOM 1115 CB GLU A 69 -7.123 28.874 -6.179 1.00 0.00 C ATOM 1116 CG GLU A 69 -6.600 29.432 -7.492 1.00 0.00 C ATOM 1117 CD GLU A 69 -5.135 29.819 -7.435 1.00 0.00 C ATOM 1118 OE1 GLU A 69 -4.829 30.938 -6.971 1.00 0.00 O ATOM 1119 OE2 GLU A 69 -4.288 29.014 -7.872 1.00 0.00 O ATOM 0 H GLU A 69 -8.938 30.489 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.710 27.716 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.993 29.623 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.522 28.010 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.743 28.690 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.190 30.306 -7.768 1.00 0.00 H new ATOM 1126 N HIS A 70 -9.047 28.656 -3.847 1.00 0.00 N ATOM 1127 CA HIS A 70 -9.517 28.218 -2.538 1.00 0.00 C ATOM 1128 C HIS A 70 -10.888 27.555 -2.637 1.00 0.00 C ATOM 1129 O HIS A 70 -11.136 26.533 -2.006 1.00 0.00 O ATOM 1130 CB HIS A 70 -9.613 29.403 -1.567 1.00 0.00 C ATOM 1131 CG HIS A 70 -8.306 30.054 -1.230 1.00 0.00 C ATOM 1132 ND1 HIS A 70 -7.590 29.759 -0.089 1.00 0.00 N ATOM 1133 CD2 HIS A 70 -7.604 31.021 -1.866 1.00 0.00 C ATOM 1134 CE1 HIS A 70 -6.512 30.517 -0.042 1.00 0.00 C ATOM 1135 NE2 HIS A 70 -6.496 31.291 -1.107 1.00 0.00 N ATOM 0 H HIS A 70 -8.741 29.629 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.793 27.494 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.275 30.154 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.079 29.060 -0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.869 31.493 -2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.767 30.505 0.740 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.777 31.979 -1.330 1.00 0.00 H new ATOM 1144 N GLU A 71 -11.774 28.140 -3.433 1.00 0.00 N ATOM 1145 CA GLU A 71 -13.132 27.631 -3.554 1.00 0.00 C ATOM 1146 C GLU A 71 -13.168 26.281 -4.258 1.00 0.00 C ATOM 1147 O GLU A 71 -13.896 25.386 -3.835 1.00 0.00 O ATOM 1148 CB GLU A 71 -14.029 28.645 -4.260 1.00 0.00 C ATOM 1149 CG GLU A 71 -14.409 29.803 -3.357 1.00 0.00 C ATOM 1150 CD GLU A 71 -15.209 30.878 -4.058 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -16.359 30.612 -4.453 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -14.693 32.013 -4.192 1.00 0.00 O ATOM 0 H GLU A 71 -11.577 28.964 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.518 27.478 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.516 29.028 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.934 28.146 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.987 29.422 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.502 30.246 -2.946 1.00 0.00 H new ATOM 1159 N SER A 72 -12.377 26.125 -5.312 1.00 0.00 N ATOM 1160 CA SER A 72 -12.267 24.836 -5.988 1.00 0.00 C ATOM 1161 C SER A 72 -11.678 23.807 -5.030 1.00 0.00 C ATOM 1162 O SER A 72 -12.147 22.672 -4.961 1.00 0.00 O ATOM 1163 CB SER A 72 -11.401 24.955 -7.247 1.00 0.00 C ATOM 1164 OG SER A 72 -11.391 23.739 -7.978 1.00 0.00 O ATOM 0 H SER A 72 -11.806 26.868 -5.716 1.00 0.00 H new ATOM 0 HA SER A 72 -13.261 24.512 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.780 25.759 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.382 25.223 -6.967 1.00 0.00 H new ATOM 0 HG SER A 72 -10.833 23.842 -8.777 1.00 0.00 H new ATOM 1170 N ILE A 73 -10.671 24.236 -4.274 1.00 0.00 N ATOM 1171 CA ILE A 73 -10.036 23.400 -3.260 1.00 0.00 C ATOM 1172 C ILE A 73 -11.067 22.813 -2.295 1.00 0.00 C ATOM 1173 O ILE A 73 -11.207 21.596 -2.185 1.00 0.00 O ATOM 1174 CB ILE A 73 -8.983 24.216 -2.466 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.777 24.536 -3.354 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -8.538 23.479 -1.209 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.768 25.457 -2.703 1.00 0.00 C ATOM 0 H ILE A 73 -10.273 25.172 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.541 22.577 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 73 -9.450 25.150 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.281 23.605 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.129 24.993 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.800 24.080 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.399 23.307 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.096 22.522 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.943 25.638 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.247 26.404 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.386 24.994 -1.793 1.00 0.00 H new ATOM 1189 N ILE A 74 -11.814 23.678 -1.622 1.00 0.00 N ATOM 1190 CA ILE A 74 -12.728 23.226 -0.585 1.00 0.00 C ATOM 1191 C ILE A 74 -13.945 22.510 -1.181 1.00 0.00 C ATOM 1192 O ILE A 74 -14.579 21.687 -0.517 1.00 0.00 O ATOM 1193 CB ILE A 74 -13.199 24.386 0.315 1.00 0.00 C ATOM 1194 CG1 ILE A 74 -12.046 25.350 0.606 1.00 0.00 C ATOM 1195 CG2 ILE A 74 -13.735 23.825 1.620 1.00 0.00 C ATOM 1196 CD1 ILE A 74 -12.456 26.559 1.418 1.00 0.00 C ATOM 0 H ILE A 74 -11.805 24.687 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 74 -12.170 22.520 0.029 1.00 0.00 H new ATOM 0 HB ILE A 74 -13.985 24.934 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.261 24.814 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.617 25.686 -0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -14.069 24.643 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -14.574 23.161 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -12.948 23.267 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -11.588 27.197 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.219 27.119 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.857 26.234 2.378 1.00 0.00 H new ATOM 1208 N SER A 75 -14.268 22.815 -2.432 1.00 0.00 N ATOM 1209 CA SER A 75 -15.352 22.124 -3.120 1.00 0.00 C ATOM 1210 C SER A 75 -14.904 20.723 -3.525 1.00 0.00 C ATOM 1211 O SER A 75 -15.695 19.780 -3.525 1.00 0.00 O ATOM 1212 CB SER A 75 -15.810 22.915 -4.349 1.00 0.00 C ATOM 1213 OG SER A 75 -16.254 24.210 -3.980 1.00 0.00 O ATOM 0 H SER A 75 -13.799 23.531 -2.987 1.00 0.00 H new ATOM 0 HA SER A 75 -16.198 22.041 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.989 22.997 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 75 -16.615 22.380 -4.852 1.00 0.00 H new ATOM 0 HG SER A 75 -15.487 24.819 -3.939 1.00 0.00 H new ATOM 1219 N ASN A 76 -13.619 20.597 -3.844 1.00 0.00 N ATOM 1220 CA ASN A 76 -13.027 19.309 -4.191 1.00 0.00 C ATOM 1221 C ASN A 76 -13.046 18.402 -2.967 1.00 0.00 C ATOM 1222 O ASN A 76 -13.164 17.181 -3.074 1.00 0.00 O ATOM 1223 CB ASN A 76 -11.589 19.503 -4.685 1.00 0.00 C ATOM 1224 CG ASN A 76 -11.175 18.464 -5.707 1.00 0.00 C ATOM 1225 OD1 ASN A 76 -10.671 17.394 -5.366 1.00 0.00 O ATOM 1226 ND2 ASN A 76 -11.371 18.788 -6.978 1.00 0.00 N ATOM 0 H ASN A 76 -12.963 21.378 -3.869 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.606 18.848 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.491 20.496 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.909 19.461 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.101 18.139 -7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.792 19.686 -7.216 1.00 0.00 H new ATOM 1233 N LEU A 77 -12.941 19.031 -1.800 1.00 0.00 N ATOM 1234 CA LEU A 77 -13.063 18.348 -0.515 1.00 0.00 C ATOM 1235 C LEU A 77 -14.447 17.717 -0.359 1.00 0.00 C ATOM 1236 O LEU A 77 -14.609 16.705 0.322 1.00 0.00 O ATOM 1237 CB LEU A 77 -12.835 19.350 0.622 1.00 0.00 C ATOM 1238 CG LEU A 77 -13.109 18.825 2.031 1.00 0.00 C ATOM 1239 CD1 LEU A 77 -12.054 17.811 2.446 1.00 0.00 C ATOM 1240 CD2 LEU A 77 -13.169 19.980 3.015 1.00 0.00 C ATOM 0 H LEU A 77 -12.768 20.033 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.313 17.558 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.802 19.694 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.469 20.220 0.448 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.074 18.318 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.270 17.452 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.063 16.971 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.071 18.282 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.365 19.595 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.218 20.512 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.968 20.663 2.726 1.00 0.00 H new ATOM 1252 N GLY A 78 -15.437 18.327 -0.993 1.00 0.00 N ATOM 1253 CA GLY A 78 -16.806 17.877 -0.844 1.00 0.00 C ATOM 1254 C GLY A 78 -17.682 18.955 -0.246 1.00 0.00 C ATOM 1255 O GLY A 78 -18.899 18.813 -0.170 1.00 0.00 O ATOM 0 H GLY A 78 -15.316 19.129 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.201 17.583 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.832 16.992 -0.209 1.00 0.00 H new ATOM 1259 N ARG A 79 -17.056 20.045 0.171 1.00 0.00 N ATOM 1260 CA ARG A 79 -17.772 21.172 0.754 1.00 0.00 C ATOM 1261 C ARG A 79 -18.170 22.172 -0.323 1.00 0.00 C ATOM 1262 O ARG A 79 -18.010 21.912 -1.516 1.00 0.00 O ATOM 1263 CB ARG A 79 -16.902 21.857 1.808 1.00 0.00 C ATOM 1264 CG ARG A 79 -16.906 21.165 3.160 1.00 0.00 C ATOM 1265 CD ARG A 79 -18.201 21.428 3.910 1.00 0.00 C ATOM 1266 NE ARG A 79 -18.193 20.843 5.250 1.00 0.00 N ATOM 1267 CZ ARG A 79 -19.223 20.193 5.792 1.00 0.00 C ATOM 1268 NH1 ARG A 79 -20.335 19.986 5.096 1.00 0.00 N ATOM 1269 NH2 ARG A 79 -19.137 19.734 7.032 1.00 0.00 N ATOM 0 H ARG A 79 -16.046 20.174 0.116 1.00 0.00 H new ATOM 0 HA ARG A 79 -18.679 20.796 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.877 21.907 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.246 22.883 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.774 20.092 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.062 21.516 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.363 22.503 3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -19.037 21.019 3.342 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.344 20.939 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.407 20.326 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.117 19.487 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -18.283 19.878 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -19.925 19.237 7.447 1.00 0.00 H new ATOM 1283 N ASN A 80 -18.696 23.309 0.107 1.00 0.00 N ATOM 1284 CA ASN A 80 -19.085 24.367 -0.810 1.00 0.00 C ATOM 1285 C ASN A 80 -18.959 25.721 -0.116 1.00 0.00 C ATOM 1286 O ASN A 80 -19.729 26.034 0.793 1.00 0.00 O ATOM 1287 CB ASN A 80 -20.522 24.156 -1.293 1.00 0.00 C ATOM 1288 CG ASN A 80 -20.916 25.129 -2.387 1.00 0.00 C ATOM 1289 OD1 ASN A 80 -22.064 25.567 -2.454 1.00 0.00 O ATOM 1290 ND2 ASN A 80 -19.979 25.444 -3.270 1.00 0.00 N ATOM 0 H ASN A 80 -18.863 23.522 1.090 1.00 0.00 H new ATOM 0 HA ASN A 80 -18.423 24.343 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -20.632 23.136 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.205 24.266 -0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -20.197 26.073 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -19.040 25.058 -3.176 1.00 0.00 H new ATOM 1297 N PRO A 81 -17.969 26.532 -0.517 1.00 0.00 N ATOM 1298 CA PRO A 81 -17.708 27.841 0.089 1.00 0.00 C ATOM 1299 C PRO A 81 -18.682 28.922 -0.386 1.00 0.00 C ATOM 1300 O PRO A 81 -18.268 29.981 -0.855 1.00 0.00 O ATOM 1301 CB PRO A 81 -16.277 28.178 -0.370 1.00 0.00 C ATOM 1302 CG PRO A 81 -15.792 26.986 -1.131 1.00 0.00 C ATOM 1303 CD PRO A 81 -17.010 26.243 -1.584 1.00 0.00 C ATOM 0 HA PRO A 81 -17.830 27.807 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.269 29.070 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.632 28.383 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.185 27.291 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.164 26.354 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.363 26.594 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.821 25.174 -1.682 1.00 0.00 H new ATOM 1311 N SER A 82 -19.972 28.658 -0.252 1.00 0.00 N ATOM 1312 CA SER A 82 -20.987 29.630 -0.624 1.00 0.00 C ATOM 1313 C SER A 82 -21.220 30.624 0.512 1.00 0.00 C ATOM 1314 O SER A 82 -21.418 31.817 0.285 1.00 0.00 O ATOM 1315 CB SER A 82 -22.288 28.912 -0.981 1.00 0.00 C ATOM 1316 OG SER A 82 -22.637 27.969 0.020 1.00 0.00 O ATOM 0 H SER A 82 -20.341 27.779 0.111 1.00 0.00 H new ATOM 0 HA SER A 82 -20.639 30.185 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 82 -23.091 29.641 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 82 -22.178 28.406 -1.940 1.00 0.00 H new ATOM 0 HG SER A 82 -23.473 27.523 -0.228 1.00 0.00 H new ATOM 1322 N ASP A 83 -21.168 30.123 1.741 1.00 0.00 N ATOM 1323 CA ASP A 83 -21.394 30.957 2.918 1.00 0.00 C ATOM 1324 C ASP A 83 -20.065 31.478 3.468 1.00 0.00 C ATOM 1325 O ASP A 83 -20.009 32.101 4.526 1.00 0.00 O ATOM 1326 CB ASP A 83 -22.157 30.162 3.986 1.00 0.00 C ATOM 1327 CG ASP A 83 -22.602 31.013 5.160 1.00 0.00 C ATOM 1328 OD1 ASP A 83 -23.230 32.071 4.936 1.00 0.00 O ATOM 1329 OD2 ASP A 83 -22.331 30.623 6.314 1.00 0.00 O ATOM 0 H ASP A 83 -20.972 29.144 1.949 1.00 0.00 H new ATOM 0 HA ASP A 83 -21.999 31.817 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -23.032 29.699 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -21.523 29.354 4.351 1.00 0.00 H new ATOM 1334 N PHE A 84 -18.994 31.227 2.728 1.00 0.00 N ATOM 1335 CA PHE A 84 -17.680 31.743 3.084 1.00 0.00 C ATOM 1336 C PHE A 84 -17.321 32.894 2.153 1.00 0.00 C ATOM 1337 O PHE A 84 -17.040 32.684 0.974 1.00 0.00 O ATOM 1338 CB PHE A 84 -16.619 30.639 2.997 1.00 0.00 C ATOM 1339 CG PHE A 84 -16.805 29.533 4.000 1.00 0.00 C ATOM 1340 CD1 PHE A 84 -17.650 28.467 3.730 1.00 0.00 C ATOM 1341 CD2 PHE A 84 -16.140 29.563 5.215 1.00 0.00 C ATOM 1342 CE1 PHE A 84 -17.821 27.449 4.648 1.00 0.00 C ATOM 1343 CE2 PHE A 84 -16.306 28.546 6.138 1.00 0.00 C ATOM 1344 CZ PHE A 84 -17.151 27.490 5.856 1.00 0.00 C ATOM 0 H PHE A 84 -19.010 30.668 1.875 1.00 0.00 H new ATOM 0 HA PHE A 84 -17.708 32.102 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -16.634 30.213 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.634 31.083 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -18.181 28.432 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -15.484 30.390 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.478 26.622 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.775 28.578 7.078 1.00 0.00 H new ATOM 0 HZ PHE A 84 -17.288 26.698 6.578 1.00 0.00 H new ATOM 1354 N LYS A 85 -17.331 34.106 2.684 1.00 0.00 N ATOM 1355 CA LYS A 85 -17.190 35.294 1.855 1.00 0.00 C ATOM 1356 C LYS A 85 -15.756 35.811 1.832 1.00 0.00 C ATOM 1357 O LYS A 85 -15.224 36.133 0.768 1.00 0.00 O ATOM 1358 CB LYS A 85 -18.146 36.384 2.345 1.00 0.00 C ATOM 1359 CG LYS A 85 -19.612 35.981 2.244 1.00 0.00 C ATOM 1360 CD LYS A 85 -20.543 37.086 2.717 1.00 0.00 C ATOM 1361 CE LYS A 85 -20.383 37.371 4.204 1.00 0.00 C ATOM 1362 NZ LYS A 85 -20.666 36.174 5.040 1.00 0.00 N ATOM 0 H LYS A 85 -17.435 34.294 3.681 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.446 35.019 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.912 36.625 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.983 37.291 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -19.847 35.727 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.783 35.084 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.343 37.995 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -21.575 36.803 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.368 37.716 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.055 38.180 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.779 36.463 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -21.541 35.719 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.876 35.502 4.962 1.00 0.00 H new ATOM 1376 N ASN A 86 -15.127 35.875 2.993 1.00 0.00 N ATOM 1377 CA ASN A 86 -13.781 36.428 3.101 1.00 0.00 C ATOM 1378 C ASN A 86 -12.725 35.412 2.691 1.00 0.00 C ATOM 1379 O ASN A 86 -13.007 34.218 2.546 1.00 0.00 O ATOM 1380 CB ASN A 86 -13.503 36.905 4.527 1.00 0.00 C ATOM 1381 CG ASN A 86 -14.318 38.122 4.908 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -13.880 39.258 4.726 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -15.505 37.898 5.446 1.00 0.00 N ATOM 0 H ASN A 86 -15.523 35.552 3.876 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.727 37.277 2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.719 36.096 5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.443 37.137 4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.094 38.682 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.832 36.941 5.580 1.00 0.00 H new ATOM 1390 N ALA A 87 -11.503 35.896 2.520 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.392 35.051 2.125 1.00 0.00 C ATOM 1392 C ALA A 87 -9.830 34.313 3.329 1.00 0.00 C ATOM 1393 O ALA A 87 -9.442 33.153 3.233 1.00 0.00 O ATOM 1394 CB ALA A 87 -9.305 35.879 1.454 1.00 0.00 C ATOM 0 H ALA A 87 -11.258 36.877 2.651 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.757 34.315 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.479 35.229 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.713 36.365 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.944 36.637 2.149 1.00 0.00 H new ATOM 1400 N ASP A 88 -9.805 34.983 4.471 1.00 0.00 N ATOM 1401 CA ASP A 88 -9.266 34.379 5.684 1.00 0.00 C ATOM 1402 C ASP A 88 -10.196 33.286 6.207 1.00 0.00 C ATOM 1403 O ASP A 88 -9.739 32.286 6.755 1.00 0.00 O ATOM 1404 CB ASP A 88 -9.033 35.440 6.759 1.00 0.00 C ATOM 1405 CG ASP A 88 -8.237 34.902 7.929 1.00 0.00 C ATOM 1406 OD1 ASP A 88 -6.991 34.863 7.841 1.00 0.00 O ATOM 1407 OD2 ASP A 88 -8.848 34.524 8.947 1.00 0.00 O ATOM 0 H ASP A 88 -10.148 35.937 4.585 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.308 33.923 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.506 36.288 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.994 35.811 7.115 1.00 0.00 H new ATOM 1412 N GLU A 89 -11.500 33.470 6.005 1.00 0.00 N ATOM 1413 CA GLU A 89 -12.493 32.475 6.419 1.00 0.00 C ATOM 1414 C GLU A 89 -12.237 31.137 5.731 1.00 0.00 C ATOM 1415 O GLU A 89 -12.246 30.082 6.369 1.00 0.00 O ATOM 1416 CB GLU A 89 -13.911 32.949 6.088 1.00 0.00 C ATOM 1417 CG GLU A 89 -14.355 34.184 6.852 1.00 0.00 C ATOM 1418 CD GLU A 89 -15.772 34.595 6.501 1.00 0.00 C ATOM 1419 OE1 GLU A 89 -15.967 35.213 5.437 1.00 0.00 O ATOM 1420 OE2 GLU A 89 -16.698 34.307 7.284 1.00 0.00 O ATOM 0 H GLU A 89 -11.895 34.297 5.558 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.401 32.348 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.971 33.157 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.609 32.138 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.289 33.990 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.675 35.008 6.635 1.00 0.00 H new ATOM 1427 N ARG A 90 -12.001 31.188 4.426 1.00 0.00 N ATOM 1428 CA ARG A 90 -11.770 29.978 3.651 1.00 0.00 C ATOM 1429 C ARG A 90 -10.404 29.376 3.990 1.00 0.00 C ATOM 1430 O ARG A 90 -10.211 28.165 3.892 1.00 0.00 O ATOM 1431 CB ARG A 90 -11.914 30.264 2.148 1.00 0.00 C ATOM 1432 CG ARG A 90 -10.978 31.337 1.623 1.00 0.00 C ATOM 1433 CD ARG A 90 -11.403 31.838 0.251 1.00 0.00 C ATOM 1434 NE ARG A 90 -12.681 32.557 0.291 1.00 0.00 N ATOM 1435 CZ ARG A 90 -13.484 32.716 -0.765 1.00 0.00 C ATOM 1436 NH1 ARG A 90 -13.126 32.247 -1.954 1.00 0.00 N ATOM 1437 NH2 ARG A 90 -14.638 33.363 -0.639 1.00 0.00 N ATOM 0 H ARG A 90 -11.965 32.052 3.885 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.527 29.240 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.736 29.341 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.942 30.564 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.954 32.172 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.965 30.939 1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.631 32.496 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.486 30.993 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.975 32.961 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.235 31.763 -2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.742 32.371 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.914 33.741 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.247 33.482 -1.448 1.00 0.00 H new ATOM 1451 N ILE A 91 -9.465 30.225 4.411 1.00 0.00 N ATOM 1452 CA ILE A 91 -8.172 29.751 4.903 1.00 0.00 C ATOM 1453 C ILE A 91 -8.368 28.956 6.188 1.00 0.00 C ATOM 1454 O ILE A 91 -7.815 27.869 6.349 1.00 0.00 O ATOM 1455 CB ILE A 91 -7.190 30.918 5.183 1.00 0.00 C ATOM 1456 CG1 ILE A 91 -6.827 31.643 3.890 1.00 0.00 C ATOM 1457 CG2 ILE A 91 -5.925 30.408 5.865 1.00 0.00 C ATOM 1458 CD1 ILE A 91 -6.078 32.941 4.116 1.00 0.00 C ATOM 0 H ILE A 91 -9.575 31.239 4.421 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.742 29.122 4.124 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.689 31.621 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.218 30.984 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.739 31.851 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.250 31.243 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.187 29.935 6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.432 29.681 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.852 33.403 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.694 33.618 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.149 32.737 4.648 1.00 0.00 H new ATOM 1470 N ALA A 92 -9.174 29.509 7.088 1.00 0.00 N ATOM 1471 CA ALA A 92 -9.441 28.895 8.380 1.00 0.00 C ATOM 1472 C ALA A 92 -10.000 27.485 8.231 1.00 0.00 C ATOM 1473 O ALA A 92 -9.593 26.573 8.949 1.00 0.00 O ATOM 1474 CB ALA A 92 -10.398 29.762 9.181 1.00 0.00 C ATOM 0 H ALA A 92 -9.659 30.394 6.941 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.494 28.817 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.592 29.294 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.954 30.745 9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.335 29.869 8.635 1.00 0.00 H new ATOM 1480 N TYR A 93 -10.926 27.298 7.293 1.00 0.00 N ATOM 1481 CA TYR A 93 -11.522 25.982 7.092 1.00 0.00 C ATOM 1482 C TYR A 93 -10.495 25.002 6.530 1.00 0.00 C ATOM 1483 O TYR A 93 -10.468 23.836 6.920 1.00 0.00 O ATOM 1484 CB TYR A 93 -12.750 26.045 6.177 1.00 0.00 C ATOM 1485 CG TYR A 93 -13.545 24.757 6.179 1.00 0.00 C ATOM 1486 CD1 TYR A 93 -14.237 24.355 7.314 1.00 0.00 C ATOM 1487 CD2 TYR A 93 -13.592 23.937 5.061 1.00 0.00 C ATOM 1488 CE1 TYR A 93 -14.948 23.171 7.336 1.00 0.00 C ATOM 1489 CE2 TYR A 93 -14.305 22.755 5.072 1.00 0.00 C ATOM 1490 CZ TYR A 93 -14.980 22.374 6.213 1.00 0.00 C ATOM 1491 OH TYR A 93 -15.681 21.188 6.232 1.00 0.00 O ATOM 0 H TYR A 93 -11.274 28.027 6.671 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.852 25.626 8.068 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.394 26.865 6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.429 26.268 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.219 24.979 8.195 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.062 24.228 4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.476 22.872 8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.334 22.131 4.191 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.092 21.065 7.113 1.00 0.00 H new ATOM 1501 N ILE A 94 -9.649 25.476 5.619 1.00 0.00 N ATOM 1502 CA ILE A 94 -8.589 24.637 5.062 1.00 0.00 C ATOM 1503 C ILE A 94 -7.571 24.277 6.148 1.00 0.00 C ATOM 1504 O ILE A 94 -7.077 23.151 6.203 1.00 0.00 O ATOM 1505 CB ILE A 94 -7.879 25.325 3.864 1.00 0.00 C ATOM 1506 CG1 ILE A 94 -8.891 25.652 2.751 1.00 0.00 C ATOM 1507 CG2 ILE A 94 -6.765 24.436 3.322 1.00 0.00 C ATOM 1508 CD1 ILE A 94 -8.298 26.401 1.560 1.00 0.00 C ATOM 0 H ILE A 94 -9.675 26.428 5.253 1.00 0.00 H new ATOM 0 HA ILE A 94 -9.053 23.724 4.689 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.439 26.258 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.335 24.722 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.698 26.249 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.278 24.933 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.033 24.250 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.186 23.488 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.079 26.591 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.880 27.349 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -7.511 25.799 1.107 1.00 0.00 H new ATOM 1520 N LEU A 95 -7.287 25.231 7.028 1.00 0.00 N ATOM 1521 CA LEU A 95 -6.395 24.994 8.162 1.00 0.00 C ATOM 1522 C LEU A 95 -6.987 23.983 9.132 1.00 0.00 C ATOM 1523 O LEU A 95 -6.271 23.154 9.693 1.00 0.00 O ATOM 1524 CB LEU A 95 -6.110 26.298 8.907 1.00 0.00 C ATOM 1525 CG LEU A 95 -4.935 27.109 8.370 1.00 0.00 C ATOM 1526 CD1 LEU A 95 -4.755 28.378 9.189 1.00 0.00 C ATOM 1527 CD2 LEU A 95 -3.670 26.267 8.396 1.00 0.00 C ATOM 0 H LEU A 95 -7.662 26.178 6.979 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.464 24.593 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.005 26.919 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.921 26.065 9.955 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.140 27.395 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.913 28.948 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.661 28.981 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.561 28.115 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.835 26.853 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.457 25.962 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.809 25.382 7.775 1.00 0.00 H new ATOM 1539 N LYS A 96 -8.298 24.054 9.316 1.00 0.00 N ATOM 1540 CA LYS A 96 -9.001 23.187 10.253 1.00 0.00 C ATOM 1541 C LYS A 96 -8.799 21.714 9.892 1.00 0.00 C ATOM 1542 O LYS A 96 -8.767 20.846 10.765 1.00 0.00 O ATOM 1543 CB LYS A 96 -10.494 23.553 10.269 1.00 0.00 C ATOM 1544 CG LYS A 96 -11.303 22.847 11.350 1.00 0.00 C ATOM 1545 CD LYS A 96 -11.802 21.481 10.899 1.00 0.00 C ATOM 1546 CE LYS A 96 -12.183 20.615 12.087 1.00 0.00 C ATOM 1547 NZ LYS A 96 -10.998 20.268 12.918 1.00 0.00 N ATOM 0 H LYS A 96 -8.903 24.711 8.823 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.591 23.336 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.590 24.630 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.924 23.315 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.688 22.730 12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.154 23.469 11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.665 21.604 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.028 20.983 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.916 21.140 12.700 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.659 19.701 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.053 19.269 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.130 20.424 12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.982 20.868 13.767 1.00 0.00 H new ATOM 1561 N GLN A 97 -8.645 21.445 8.604 1.00 0.00 N ATOM 1562 CA GLN A 97 -8.486 20.078 8.124 1.00 0.00 C ATOM 1563 C GLN A 97 -7.099 19.559 8.450 1.00 0.00 C ATOM 1564 O GLN A 97 -6.903 18.363 8.674 1.00 0.00 O ATOM 1565 CB GLN A 97 -8.722 20.022 6.621 1.00 0.00 C ATOM 1566 CG GLN A 97 -9.955 20.785 6.181 1.00 0.00 C ATOM 1567 CD GLN A 97 -11.249 20.214 6.729 1.00 0.00 C ATOM 1568 OE1 GLN A 97 -11.292 19.614 7.800 1.00 0.00 O ATOM 1569 NE2 GLN A 97 -12.320 20.416 5.994 1.00 0.00 N ATOM 0 H GLN A 97 -8.627 22.155 7.871 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.221 19.447 8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.850 20.427 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.818 18.981 6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.862 21.823 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.001 20.788 5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.244 20.919 5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.227 20.070 6.308 1.00 0.00 H new ATOM 1578 N ILE A 98 -6.140 20.467 8.478 1.00 0.00 N ATOM 1579 CA ILE A 98 -4.773 20.121 8.832 1.00 0.00 C ATOM 1580 C ILE A 98 -4.690 19.718 10.307 1.00 0.00 C ATOM 1581 O ILE A 98 -3.851 18.902 10.694 1.00 0.00 O ATOM 1582 CB ILE A 98 -3.808 21.291 8.535 1.00 0.00 C ATOM 1583 CG1 ILE A 98 -3.919 21.692 7.059 1.00 0.00 C ATOM 1584 CG2 ILE A 98 -2.372 20.909 8.880 1.00 0.00 C ATOM 1585 CD1 ILE A 98 -3.017 22.841 6.663 1.00 0.00 C ATOM 0 H ILE A 98 -6.282 21.453 8.259 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.469 19.272 8.220 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.087 22.142 9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.682 20.827 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.952 21.964 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.710 21.747 8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.306 20.660 9.939 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.072 20.047 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.155 23.064 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.268 23.721 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.978 22.567 6.844 1.00 0.00 H new ATOM 1597 N ASP A 99 -5.593 20.263 11.121 1.00 0.00 N ATOM 1598 CA ASP A 99 -5.662 19.906 12.540 1.00 0.00 C ATOM 1599 C ASP A 99 -6.148 18.475 12.707 1.00 0.00 C ATOM 1600 O ASP A 99 -5.973 17.866 13.762 1.00 0.00 O ATOM 1601 CB ASP A 99 -6.602 20.835 13.311 1.00 0.00 C ATOM 1602 CG ASP A 99 -6.151 22.278 13.320 1.00 0.00 C ATOM 1603 OD1 ASP A 99 -5.104 22.581 13.929 1.00 0.00 O ATOM 1604 OD2 ASP A 99 -6.863 23.123 12.742 1.00 0.00 O ATOM 0 H ASP A 99 -6.285 20.951 10.825 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.655 20.009 12.943 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.598 20.777 12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.686 20.482 14.339 1.00 0.00 H new