USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 738 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 89 THR OG1 : rot -123:sc= -5.93! USER MOD Set 1.2: A 92 LYS NZ :NH3+ -175:sc= -7.26! (180deg=-6.7!) USER MOD Set 1.3: B 116 GLN : amide:sc= -10.8! C(o=-24!,f=-34!) USER MOD Set 2.1: A 91 HIS : no HE2:sc= -41.2! C(o=-54!,f=-50!) USER MOD Set 2.2: B 118 THR OG1 : rot -167:sc= -13.1! USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= -1.15 (180deg=-2.07!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-2.8!) USER MOD Single : A 44 SER OG : rot -2:sc= -0.764 USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -0.0307 (180deg=-0.53) USER MOD Single : A 51 HIS : no HD1:sc= -12.9! C(o=-13!,f=-19!) USER MOD Single : A 61 HIS : no HE2:sc= -20.3! C(o=-20!,f=-26!) USER MOD Single : A 64 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.7) USER MOD Single : A 69 CYS SG : rot -11:sc= -1.84! USER MOD Single : A 73 HIS : no HD1:sc= -5.01! C(o=-5!,f=-4.6!) USER MOD Single : A 82 ASN : amide:sc= -5.79! C(o=-5.8!,f=-4!) USER MOD Single : A 85 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.27) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 90:sc= 1.24 USER MOD Single : A 100 GLN : amide:sc= -0.0742 K(o=-0.074,f=-1.6!) USER MOD Single : A 101 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 27 140.527 6.953 -14.268 1.00 0.00 N ATOM 2 CA GLY A 27 139.218 7.083 -13.570 1.00 0.00 C ATOM 3 C GLY A 27 139.361 7.079 -12.062 1.00 0.00 C ATOM 4 O GLY A 27 139.259 6.031 -11.425 1.00 0.00 O ATOM 0 HA2 GLY A 27 138.733 8.008 -13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 27 138.566 6.263 -13.872 1.00 0.00 H new ATOM 8 N ILE A 28 139.598 8.253 -11.488 1.00 0.00 N ATOM 9 CA ILE A 28 139.755 8.381 -10.045 1.00 0.00 C ATOM 10 C ILE A 28 138.425 8.397 -9.330 1.00 0.00 C ATOM 11 O ILE A 28 137.458 9.023 -9.764 1.00 0.00 O ATOM 12 CB ILE A 28 140.575 9.598 -9.612 1.00 0.00 C ATOM 13 CG1 ILE A 28 141.383 9.270 -8.355 1.00 0.00 C ATOM 14 CG2 ILE A 28 139.681 10.801 -9.366 1.00 0.00 C ATOM 15 CD1 ILE A 28 142.779 8.763 -8.647 1.00 0.00 C ATOM 0 H ILE A 28 139.686 9.130 -12.001 1.00 0.00 H new ATOM 0 HA ILE A 28 140.315 7.492 -9.756 1.00 0.00 H new ATOM 0 HB ILE A 28 141.263 9.849 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 28 141.452 10.163 -7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 28 140.847 8.519 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 28 140.291 11.651 -9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 28 139.146 11.050 -10.282 1.00 0.00 H new ATOM 0 HG23 ILE A 28 138.964 10.567 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 28 143.293 8.551 -7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 28 142.718 7.851 -9.241 1.00 0.00 H new ATOM 0 HD13 ILE A 28 143.333 9.521 -9.201 1.00 0.00 H new ATOM 27 N ARG A 29 138.414 7.697 -8.230 1.00 0.00 N ATOM 28 CA ARG A 29 137.224 7.584 -7.387 1.00 0.00 C ATOM 29 C ARG A 29 137.609 7.652 -5.916 1.00 0.00 C ATOM 30 O ARG A 29 138.379 6.826 -5.427 1.00 0.00 O ATOM 31 CB ARG A 29 136.478 6.284 -7.684 1.00 0.00 C ATOM 32 CG ARG A 29 135.529 6.381 -8.868 1.00 0.00 C ATOM 33 CD ARG A 29 136.031 5.570 -10.053 1.00 0.00 C ATOM 34 NE ARG A 29 134.939 5.095 -10.898 1.00 0.00 N ATOM 35 CZ ARG A 29 134.090 4.133 -10.542 1.00 0.00 C ATOM 36 NH1 ARG A 29 134.201 3.544 -9.358 1.00 0.00 N ATOM 37 NH2 ARG A 29 133.126 3.759 -11.373 1.00 0.00 N ATOM 0 H ARG A 29 139.223 7.183 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 29 136.561 8.420 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 29 137.204 5.494 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 29 135.913 5.990 -6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 29 134.542 6.025 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 29 135.417 7.425 -9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 29 136.709 6.181 -10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 29 136.605 4.717 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 29 134.820 5.525 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 29 134.940 3.828 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 133.547 2.808 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 29 133.035 4.208 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 29 132.475 3.022 -11.101 1.00 0.00 H new ATOM 51 N LYS A 30 137.094 8.661 -5.223 1.00 0.00 N ATOM 52 CA LYS A 30 137.397 8.869 -3.843 1.00 0.00 C ATOM 53 C LYS A 30 136.310 8.371 -2.920 1.00 0.00 C ATOM 54 O LYS A 30 135.177 8.850 -2.920 1.00 0.00 O ATOM 55 CB LYS A 30 137.660 10.349 -3.611 1.00 0.00 C ATOM 56 CG LYS A 30 139.064 10.634 -3.108 1.00 0.00 C ATOM 57 CD LYS A 30 139.602 11.942 -3.666 1.00 0.00 C ATOM 58 CE LYS A 30 140.856 11.723 -4.498 1.00 0.00 C ATOM 59 NZ LYS A 30 140.531 11.353 -5.903 1.00 0.00 N ATOM 0 H LYS A 30 136.455 9.350 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 30 138.287 8.286 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 30 137.498 10.891 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 30 136.938 10.731 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 30 139.060 10.677 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 139.726 9.816 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 30 138.837 12.419 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 30 139.824 12.624 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 30 141.459 12.631 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 30 141.459 10.936 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 141.284 11.694 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 140.455 10.319 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 139.627 11.788 -6.176 1.00 0.00 H new ATOM 73 N VAL A 31 136.717 7.439 -2.096 1.00 0.00 N ATOM 74 CA VAL A 31 135.863 6.858 -1.073 1.00 0.00 C ATOM 75 C VAL A 31 136.447 7.218 0.284 1.00 0.00 C ATOM 76 O VAL A 31 137.587 6.871 0.589 1.00 0.00 O ATOM 77 CB VAL A 31 135.734 5.318 -1.194 1.00 0.00 C ATOM 78 CG1 VAL A 31 134.270 4.910 -1.146 1.00 0.00 C ATOM 79 CG2 VAL A 31 136.387 4.813 -2.475 1.00 0.00 C ATOM 0 H VAL A 31 137.661 7.053 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 31 134.858 7.262 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 31 136.254 4.864 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 31 134.191 3.826 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 31 133.833 5.232 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 133.734 5.379 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 31 136.282 3.730 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 31 135.902 5.272 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 31 137.445 5.075 -2.472 1.00 0.00 H new ATOM 89 N LEU A 32 135.684 7.954 1.076 1.00 0.00 N ATOM 90 CA LEU A 32 136.164 8.400 2.374 1.00 0.00 C ATOM 91 C LEU A 32 135.816 7.424 3.489 1.00 0.00 C ATOM 92 O LEU A 32 134.648 7.227 3.821 1.00 0.00 O ATOM 93 CB LEU A 32 135.598 9.784 2.694 1.00 0.00 C ATOM 94 CG LEU A 32 136.539 10.952 2.396 1.00 0.00 C ATOM 95 CD1 LEU A 32 136.324 11.459 0.978 1.00 0.00 C ATOM 96 CD2 LEU A 32 136.335 12.073 3.403 1.00 0.00 C ATOM 0 H LEU A 32 134.737 8.253 0.845 1.00 0.00 H new ATOM 0 HA LEU A 32 137.251 8.450 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 32 134.678 9.924 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 32 135.328 9.814 3.750 1.00 0.00 H new ATOM 0 HG LEU A 32 137.566 10.598 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 137.001 12.290 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 136.523 10.654 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 32 135.294 11.796 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 32 137.013 12.895 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 135.305 12.427 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 136.540 11.702 4.407 1.00 0.00 H new ATOM 108 N LEU A 33 136.851 6.850 4.087 1.00 0.00 N ATOM 109 CA LEU A 33 136.690 5.932 5.193 1.00 0.00 C ATOM 110 C LEU A 33 137.278 6.561 6.442 1.00 0.00 C ATOM 111 O LEU A 33 138.436 6.964 6.454 1.00 0.00 O ATOM 112 CB LEU A 33 137.367 4.595 4.904 1.00 0.00 C ATOM 113 CG LEU A 33 136.784 3.411 5.680 1.00 0.00 C ATOM 114 CD1 LEU A 33 136.048 2.463 4.743 1.00 0.00 C ATOM 115 CD2 LEU A 33 137.882 2.680 6.440 1.00 0.00 C ATOM 0 H LEU A 33 137.821 7.011 3.816 1.00 0.00 H new ATOM 0 HA LEU A 33 135.628 5.737 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 137.292 4.387 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 33 138.428 4.681 5.138 1.00 0.00 H new ATOM 0 HG LEU A 33 136.065 3.794 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 135.642 1.629 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 33 135.234 2.996 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 33 136.740 2.084 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 33 137.450 1.841 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 33 138.627 2.310 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 138.356 3.365 7.143 1.00 0.00 H new ATOM 127 N LEU A 34 136.468 6.659 7.475 1.00 0.00 N ATOM 128 CA LEU A 34 136.886 7.259 8.729 1.00 0.00 C ATOM 129 C LEU A 34 136.848 6.262 9.868 1.00 0.00 C ATOM 130 O LEU A 34 135.793 5.951 10.422 1.00 0.00 O ATOM 131 CB LEU A 34 136.021 8.470 9.059 1.00 0.00 C ATOM 132 CG LEU A 34 136.026 9.547 7.982 1.00 0.00 C ATOM 133 CD1 LEU A 34 135.037 9.206 6.878 1.00 0.00 C ATOM 134 CD2 LEU A 34 135.716 10.909 8.583 1.00 0.00 C ATOM 0 H LEU A 34 135.504 6.327 7.472 1.00 0.00 H new ATOM 0 HA LEU A 34 137.919 7.584 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 34 134.996 8.138 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 34 136.367 8.906 9.996 1.00 0.00 H new ATOM 0 HG LEU A 34 137.023 9.588 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 34 135.056 9.988 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 34 135.312 8.253 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 34 134.034 9.132 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 34 135.725 11.664 7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 34 134.732 10.884 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 34 136.469 11.156 9.332 1.00 0.00 H new ATOM 146 N LYS A 35 138.024 5.781 10.207 1.00 0.00 N ATOM 147 CA LYS A 35 138.191 4.822 11.289 1.00 0.00 C ATOM 148 C LYS A 35 138.647 5.531 12.558 1.00 0.00 C ATOM 149 O LYS A 35 139.149 6.654 12.509 1.00 0.00 O ATOM 150 CB LYS A 35 139.210 3.744 10.905 1.00 0.00 C ATOM 151 CG LYS A 35 140.619 4.282 10.708 1.00 0.00 C ATOM 152 CD LYS A 35 141.654 3.418 11.415 1.00 0.00 C ATOM 153 CE LYS A 35 142.478 2.610 10.425 1.00 0.00 C ATOM 154 NZ LYS A 35 143.816 2.258 10.974 1.00 0.00 N ATOM 0 H LYS A 35 138.895 6.041 9.743 1.00 0.00 H new ATOM 0 HA LYS A 35 137.228 4.345 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 35 139.227 2.979 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 35 138.884 3.258 9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 35 140.847 4.325 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 35 140.676 5.302 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 35 142.314 4.051 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 35 141.153 2.743 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 141.941 1.698 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 35 142.602 3.181 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 144.347 1.708 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 144.339 3.128 11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 143.699 1.692 11.838 1.00 0.00 H new ATOM 168 N GLU A 36 138.468 4.868 13.690 1.00 0.00 N ATOM 169 CA GLU A 36 138.857 5.433 14.977 1.00 0.00 C ATOM 170 C GLU A 36 139.527 4.382 15.856 1.00 0.00 C ATOM 171 O GLU A 36 139.202 3.196 15.782 1.00 0.00 O ATOM 172 CB GLU A 36 137.637 6.011 15.694 1.00 0.00 C ATOM 173 CG GLU A 36 136.453 5.059 15.748 1.00 0.00 C ATOM 174 CD GLU A 36 135.432 5.337 14.662 1.00 0.00 C ATOM 175 OE1 GLU A 36 135.775 5.186 13.471 1.00 0.00 O ATOM 176 OE2 GLU A 36 134.288 5.705 15.005 1.00 0.00 O ATOM 0 H GLU A 36 138.055 3.937 13.746 1.00 0.00 H new ATOM 0 HA GLU A 36 139.574 6.233 14.790 1.00 0.00 H new ATOM 0 HB2 GLU A 36 137.919 6.284 16.711 1.00 0.00 H new ATOM 0 HB3 GLU A 36 137.332 6.929 15.191 1.00 0.00 H new ATOM 0 HG2 GLU A 36 136.811 4.034 15.651 1.00 0.00 H new ATOM 0 HG3 GLU A 36 135.972 5.138 16.723 1.00 0.00 H new ATOM 183 N ASP A 37 140.463 4.826 16.689 1.00 0.00 N ATOM 184 CA ASP A 37 141.181 3.928 17.586 1.00 0.00 C ATOM 185 C ASP A 37 141.918 2.844 16.804 1.00 0.00 C ATOM 186 O ASP A 37 142.155 1.752 17.317 1.00 0.00 O ATOM 187 CB ASP A 37 140.210 3.284 18.579 1.00 0.00 C ATOM 188 CG ASP A 37 140.892 2.872 19.869 1.00 0.00 C ATOM 189 OD1 ASP A 37 142.137 2.783 19.882 1.00 0.00 O ATOM 190 OD2 ASP A 37 140.179 2.639 20.868 1.00 0.00 O ATOM 0 H ASP A 37 140.742 5.804 16.761 1.00 0.00 H new ATOM 0 HA ASP A 37 141.917 4.517 18.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 139.406 3.985 18.804 1.00 0.00 H new ATOM 0 HB3 ASP A 37 139.751 2.409 18.119 1.00 0.00 H new ATOM 195 N HIS A 38 142.280 3.159 15.560 1.00 0.00 N ATOM 196 CA HIS A 38 142.995 2.216 14.698 1.00 0.00 C ATOM 197 C HIS A 38 142.403 0.812 14.796 1.00 0.00 C ATOM 198 O HIS A 38 143.132 -0.181 14.798 1.00 0.00 O ATOM 199 CB HIS A 38 144.482 2.185 15.062 1.00 0.00 C ATOM 200 CG HIS A 38 144.742 1.899 16.507 1.00 0.00 C ATOM 201 ND1 HIS A 38 144.909 0.624 17.005 1.00 0.00 N ATOM 202 CD2 HIS A 38 144.866 2.733 17.568 1.00 0.00 C ATOM 203 CE1 HIS A 38 145.122 0.686 18.307 1.00 0.00 C ATOM 204 NE2 HIS A 38 145.101 1.954 18.673 1.00 0.00 N ATOM 0 H HIS A 38 142.089 4.062 15.126 1.00 0.00 H new ATOM 0 HA HIS A 38 142.885 2.558 13.669 1.00 0.00 H new ATOM 0 HB2 HIS A 38 144.980 1.428 14.456 1.00 0.00 H new ATOM 0 HB3 HIS A 38 144.930 3.145 14.804 1.00 0.00 H new ATOM 0 HD2 HIS A 38 144.793 3.810 17.548 1.00 0.00 H new ATOM 0 HE1 HIS A 38 145.286 -0.158 18.961 1.00 0.00 H new ATOM 0 HE2 HIS A 38 145.237 2.299 19.623 1.00 0.00 H new ATOM 213 N GLU A 39 141.079 0.737 14.877 1.00 0.00 N ATOM 214 CA GLU A 39 140.389 -0.545 14.974 1.00 0.00 C ATOM 215 C GLU A 39 140.717 -1.439 13.779 1.00 0.00 C ATOM 216 O GLU A 39 140.557 -2.658 13.841 1.00 0.00 O ATOM 217 CB GLU A 39 138.877 -0.327 15.064 1.00 0.00 C ATOM 218 CG GLU A 39 138.314 -0.539 16.461 1.00 0.00 C ATOM 219 CD GLU A 39 137.021 -1.329 16.454 1.00 0.00 C ATOM 220 OE1 GLU A 39 137.082 -2.567 16.297 1.00 0.00 O ATOM 221 OE2 GLU A 39 135.946 -0.711 16.605 1.00 0.00 O ATOM 0 H GLU A 39 140.462 1.549 14.877 1.00 0.00 H new ATOM 0 HA GLU A 39 140.733 -1.045 15.879 1.00 0.00 H new ATOM 0 HB2 GLU A 39 138.644 0.687 14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 39 138.378 -1.007 14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 39 139.051 -1.061 17.071 1.00 0.00 H new ATOM 0 HG3 GLU A 39 138.141 0.430 16.930 1.00 0.00 H new ATOM 228 N GLY A 40 141.162 -0.822 12.689 1.00 0.00 N ATOM 229 CA GLY A 40 141.491 -1.570 11.492 1.00 0.00 C ATOM 230 C GLY A 40 140.648 -1.131 10.313 1.00 0.00 C ATOM 231 O GLY A 40 139.795 -0.254 10.453 1.00 0.00 O ATOM 0 H GLY A 40 141.301 0.186 12.615 1.00 0.00 H new ATOM 0 HA2 GLY A 40 142.547 -1.435 11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 40 141.339 -2.634 11.673 1.00 0.00 H new ATOM 235 N LEU A 41 140.876 -1.730 9.149 1.00 0.00 N ATOM 236 CA LEU A 41 140.111 -1.366 7.962 1.00 0.00 C ATOM 237 C LEU A 41 139.303 -2.548 7.438 1.00 0.00 C ATOM 238 O LEU A 41 138.348 -2.371 6.684 1.00 0.00 O ATOM 239 CB LEU A 41 141.041 -0.837 6.870 1.00 0.00 C ATOM 240 CG LEU A 41 140.492 0.349 6.075 1.00 0.00 C ATOM 241 CD1 LEU A 41 140.744 1.652 6.818 1.00 0.00 C ATOM 242 CD2 LEU A 41 141.111 0.395 4.687 1.00 0.00 C ATOM 0 H LEU A 41 141.574 -2.459 9.002 1.00 0.00 H new ATOM 0 HA LEU A 41 139.412 -0.579 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 41 141.985 -0.543 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 41 141.263 -1.649 6.177 1.00 0.00 H new ATOM 0 HG LEU A 41 139.415 0.220 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 41 140.347 2.485 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 41 140.250 1.618 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 41 141.816 1.788 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 41 140.708 1.245 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 41 142.193 0.499 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 41 140.877 -0.526 4.153 1.00 0.00 H new ATOM 254 N GLY A 42 139.686 -3.753 7.839 1.00 0.00 N ATOM 255 CA GLY A 42 138.980 -4.936 7.391 1.00 0.00 C ATOM 256 C GLY A 42 138.962 -5.051 5.879 1.00 0.00 C ATOM 257 O GLY A 42 138.005 -5.557 5.291 1.00 0.00 O ATOM 0 H GLY A 42 140.471 -3.932 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 42 139.452 -5.822 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 42 137.956 -4.910 7.764 1.00 0.00 H new ATOM 261 N ILE A 43 140.030 -4.571 5.258 1.00 0.00 N ATOM 262 CA ILE A 43 140.179 -4.596 3.807 1.00 0.00 C ATOM 263 C ILE A 43 141.574 -5.060 3.462 1.00 0.00 C ATOM 264 O ILE A 43 142.484 -4.960 4.295 1.00 0.00 O ATOM 265 CB ILE A 43 139.929 -3.213 3.160 1.00 0.00 C ATOM 266 CG1 ILE A 43 139.131 -2.308 4.106 1.00 0.00 C ATOM 267 CG2 ILE A 43 139.205 -3.378 1.831 1.00 0.00 C ATOM 268 CD1 ILE A 43 138.734 -0.985 3.493 1.00 0.00 C ATOM 0 H ILE A 43 140.821 -4.152 5.747 1.00 0.00 H new ATOM 0 HA ILE A 43 139.429 -5.282 3.412 1.00 0.00 H new ATOM 0 HB ILE A 43 140.892 -2.738 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 43 138.232 -2.835 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 43 139.724 -2.120 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 43 139.035 -2.398 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 43 139.813 -3.982 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 43 138.248 -3.872 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 43 138.173 -0.400 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 43 139.629 -0.437 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 138.113 -1.163 2.615 1.00 0.00 H new ATOM 280 N SER A 44 141.750 -5.577 2.251 1.00 0.00 N ATOM 281 CA SER A 44 143.052 -6.060 1.849 1.00 0.00 C ATOM 282 C SER A 44 143.432 -5.505 0.496 1.00 0.00 C ATOM 283 O SER A 44 142.583 -5.273 -0.365 1.00 0.00 O ATOM 284 CB SER A 44 143.062 -7.588 1.800 1.00 0.00 C ATOM 285 OG SER A 44 144.386 -8.097 1.840 1.00 0.00 O ATOM 0 H SER A 44 141.018 -5.669 1.547 1.00 0.00 H new ATOM 0 HA SER A 44 143.781 -5.722 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 44 142.492 -7.985 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 44 142.567 -7.928 0.890 1.00 0.00 H new ATOM 0 HG SER A 44 145.022 -7.352 1.864 1.00 0.00 H new ATOM 291 N ILE A 45 144.725 -5.301 0.319 1.00 0.00 N ATOM 292 CA ILE A 45 145.249 -4.779 -0.928 1.00 0.00 C ATOM 293 C ILE A 45 146.514 -5.529 -1.313 1.00 0.00 C ATOM 294 O ILE A 45 147.192 -6.126 -0.463 1.00 0.00 O ATOM 295 CB ILE A 45 145.504 -3.240 -0.890 1.00 0.00 C ATOM 296 CG1 ILE A 45 145.732 -2.756 0.539 1.00 0.00 C ATOM 297 CG2 ILE A 45 144.350 -2.458 -1.517 1.00 0.00 C ATOM 298 CD1 ILE A 45 146.439 -1.417 0.629 1.00 0.00 C ATOM 0 H ILE A 45 145.434 -5.490 1.028 1.00 0.00 H new ATOM 0 HA ILE A 45 144.485 -4.939 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 45 146.404 -3.056 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 45 144.769 -2.682 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 45 146.318 -3.502 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 45 144.566 -1.391 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 45 144.229 -2.759 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 45 143.430 -2.666 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 45 146.564 -1.141 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 147.417 -1.489 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 45 145.844 -0.657 0.122 1.00 0.00 H new ATOM 310 N THR A 46 146.836 -5.492 -2.598 1.00 0.00 N ATOM 311 CA THR A 46 148.017 -6.182 -3.101 1.00 0.00 C ATOM 312 C THR A 46 148.422 -5.625 -4.447 1.00 0.00 C ATOM 313 O THR A 46 147.586 -5.125 -5.200 1.00 0.00 O ATOM 314 CB THR A 46 147.753 -7.687 -3.240 1.00 0.00 C ATOM 315 OG1 THR A 46 146.898 -7.942 -4.341 1.00 0.00 O ATOM 316 CG2 THR A 46 147.125 -8.322 -2.017 1.00 0.00 C ATOM 0 H THR A 46 146.300 -4.994 -3.309 1.00 0.00 H new ATOM 0 HA THR A 46 148.823 -6.025 -2.384 1.00 0.00 H new ATOM 0 HB THR A 46 148.738 -8.131 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 46 146.741 -8.906 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 46 146.972 -9.386 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 46 147.785 -8.191 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 46 146.166 -7.847 -1.812 1.00 0.00 H new ATOM 324 N GLY A 47 149.705 -5.716 -4.755 1.00 0.00 N ATOM 325 CA GLY A 47 150.181 -5.226 -5.998 1.00 0.00 C ATOM 326 C GLY A 47 151.493 -4.517 -5.849 1.00 0.00 C ATOM 327 O GLY A 47 152.139 -4.564 -4.804 1.00 0.00 O ATOM 0 H GLY A 47 150.418 -6.126 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 47 150.293 -6.055 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 47 149.446 -4.545 -6.426 1.00 0.00 H new ATOM 331 N GLY A 48 151.861 -3.854 -6.905 1.00 0.00 N ATOM 332 CA GLY A 48 153.094 -3.094 -6.938 1.00 0.00 C ATOM 333 C GLY A 48 153.938 -3.382 -8.157 1.00 0.00 C ATOM 334 O GLY A 48 153.492 -4.050 -9.091 1.00 0.00 O ATOM 0 H GLY A 48 151.322 -3.819 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 48 152.858 -2.030 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 48 153.674 -3.315 -6.042 1.00 0.00 H new ATOM 338 N LYS A 49 155.172 -2.894 -8.135 1.00 0.00 N ATOM 339 CA LYS A 49 156.096 -3.121 -9.234 1.00 0.00 C ATOM 340 C LYS A 49 156.652 -4.536 -9.147 1.00 0.00 C ATOM 341 O LYS A 49 157.185 -5.069 -10.121 1.00 0.00 O ATOM 342 CB LYS A 49 157.235 -2.102 -9.197 1.00 0.00 C ATOM 343 CG LYS A 49 157.751 -1.715 -10.574 1.00 0.00 C ATOM 344 CD LYS A 49 158.774 -0.594 -10.493 1.00 0.00 C ATOM 345 CE LYS A 49 158.135 0.763 -10.739 1.00 0.00 C ATOM 346 NZ LYS A 49 157.425 1.269 -9.532 1.00 0.00 N ATOM 0 H LYS A 49 155.554 -2.340 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 49 155.562 -3.001 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 49 156.892 -1.205 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 49 158.058 -2.511 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 49 158.201 -2.585 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 49 156.916 -1.402 -11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 49 159.247 -0.602 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 49 159.561 -0.765 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 49 158.903 1.478 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 49 157.432 0.688 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 157.592 2.291 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 156.405 1.093 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 157.782 0.777 -8.688 1.00 0.00 H new ATOM 360 N GLU A 50 156.502 -5.148 -7.972 1.00 0.00 N ATOM 361 CA GLU A 50 156.966 -6.506 -7.755 1.00 0.00 C ATOM 362 C GLU A 50 155.911 -7.499 -8.230 1.00 0.00 C ATOM 363 O GLU A 50 156.243 -8.559 -8.758 1.00 0.00 O ATOM 364 CB GLU A 50 157.295 -6.737 -6.277 1.00 0.00 C ATOM 365 CG GLU A 50 156.073 -6.955 -5.400 1.00 0.00 C ATOM 366 CD GLU A 50 156.434 -7.224 -3.952 1.00 0.00 C ATOM 367 OE1 GLU A 50 157.328 -6.531 -3.425 1.00 0.00 O ATOM 368 OE2 GLU A 50 155.823 -8.129 -3.347 1.00 0.00 O ATOM 0 H GLU A 50 156.061 -4.718 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 50 157.878 -6.659 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 50 157.950 -7.604 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 50 157.852 -5.879 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 50 155.431 -6.076 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 50 155.497 -7.795 -5.789 1.00 0.00 H new ATOM 375 N HIS A 51 154.632 -7.140 -8.071 1.00 0.00 N ATOM 376 CA HIS A 51 153.556 -8.003 -8.523 1.00 0.00 C ATOM 377 C HIS A 51 153.103 -7.575 -9.904 1.00 0.00 C ATOM 378 O HIS A 51 152.086 -8.035 -10.417 1.00 0.00 O ATOM 379 CB HIS A 51 152.371 -7.974 -7.553 1.00 0.00 C ATOM 380 CG HIS A 51 152.736 -8.149 -6.110 1.00 0.00 C ATOM 381 ND1 HIS A 51 152.618 -9.351 -5.443 1.00 0.00 N ATOM 382 CD2 HIS A 51 153.189 -7.259 -5.197 1.00 0.00 C ATOM 383 CE1 HIS A 51 152.980 -9.193 -4.182 1.00 0.00 C ATOM 384 NE2 HIS A 51 153.330 -7.931 -4.002 1.00 0.00 N ATOM 0 H HIS A 51 154.328 -6.268 -7.638 1.00 0.00 H new ATOM 0 HA HIS A 51 153.934 -9.025 -8.561 1.00 0.00 H new ATOM 0 HB2 HIS A 51 151.848 -7.025 -7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 51 151.670 -8.760 -7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 51 153.401 -6.215 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 51 152.988 -9.964 -3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 51 153.651 -7.522 -3.124 1.00 0.00 H new ATOM 393 N GLY A 52 153.874 -6.680 -10.487 1.00 0.00 N ATOM 394 CA GLY A 52 153.561 -6.162 -11.797 1.00 0.00 C ATOM 395 C GLY A 52 152.192 -5.509 -11.835 1.00 0.00 C ATOM 396 O GLY A 52 151.575 -5.420 -12.896 1.00 0.00 O ATOM 0 H GLY A 52 154.723 -6.297 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 52 154.318 -5.435 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 52 153.597 -6.972 -12.526 1.00 0.00 H new ATOM 400 N VAL A 53 151.701 -5.066 -10.673 1.00 0.00 N ATOM 401 CA VAL A 53 150.376 -4.439 -10.614 1.00 0.00 C ATOM 402 C VAL A 53 150.334 -3.235 -9.691 1.00 0.00 C ATOM 403 O VAL A 53 151.305 -2.905 -9.019 1.00 0.00 O ATOM 404 CB VAL A 53 149.281 -5.438 -10.129 1.00 0.00 C ATOM 405 CG1 VAL A 53 149.737 -6.867 -10.315 1.00 0.00 C ATOM 406 CG2 VAL A 53 148.897 -5.226 -8.671 1.00 0.00 C ATOM 0 H VAL A 53 152.188 -5.127 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 53 150.174 -4.120 -11.636 1.00 0.00 H new ATOM 0 HB VAL A 53 148.401 -5.244 -10.742 1.00 0.00 H new ATOM 0 HG11 VAL A 53 148.957 -7.546 -9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 53 149.937 -7.051 -11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 53 150.647 -7.037 -9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 53 148.132 -5.948 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 53 149.775 -5.362 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 53 148.509 -4.216 -8.540 1.00 0.00 H new ATOM 416 N PRO A 54 149.165 -2.590 -9.638 1.00 0.00 N ATOM 417 CA PRO A 54 148.891 -1.446 -8.780 1.00 0.00 C ATOM 418 C PRO A 54 148.395 -1.948 -7.424 1.00 0.00 C ATOM 419 O PRO A 54 148.122 -3.136 -7.283 1.00 0.00 O ATOM 420 CB PRO A 54 147.729 -0.759 -9.528 1.00 0.00 C ATOM 421 CG PRO A 54 147.559 -1.537 -10.789 1.00 0.00 C ATOM 422 CD PRO A 54 147.966 -2.914 -10.407 1.00 0.00 C ATOM 0 HA PRO A 54 149.750 -0.800 -8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 54 146.816 -0.771 -8.932 1.00 0.00 H new ATOM 0 HB3 PRO A 54 147.959 0.285 -9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 54 146.528 -1.507 -11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 54 148.183 -1.142 -11.591 1.00 0.00 H new ATOM 0 HD2 PRO A 54 147.210 -3.427 -9.813 1.00 0.00 H new ATOM 0 HD3 PRO A 54 148.177 -3.546 -11.270 1.00 0.00 H new ATOM 430 N ILE A 55 148.214 -1.076 -6.439 1.00 0.00 N ATOM 431 CA ILE A 55 147.685 -1.549 -5.165 1.00 0.00 C ATOM 432 C ILE A 55 146.223 -1.861 -5.385 1.00 0.00 C ATOM 433 O ILE A 55 145.394 -0.956 -5.462 1.00 0.00 O ATOM 434 CB ILE A 55 147.793 -0.499 -4.052 1.00 0.00 C ATOM 435 CG1 ILE A 55 149.202 0.068 -3.989 1.00 0.00 C ATOM 436 CG2 ILE A 55 147.395 -1.081 -2.710 1.00 0.00 C ATOM 437 CD1 ILE A 55 150.219 -1.002 -3.708 1.00 0.00 C ATOM 0 H ILE A 55 148.416 -0.077 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 55 148.263 -2.417 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 55 147.102 0.311 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 55 149.440 0.557 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 55 149.253 0.831 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 147.482 -0.314 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 55 146.364 -1.433 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 55 148.052 -1.915 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 55 151.214 -0.558 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 55 149.996 -1.474 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 55 150.186 -1.752 -4.498 1.00 0.00 H new ATOM 449 N LEU A 56 145.915 -3.128 -5.582 1.00 0.00 N ATOM 450 CA LEU A 56 144.597 -3.518 -5.895 1.00 0.00 C ATOM 451 C LEU A 56 143.856 -4.194 -4.744 1.00 0.00 C ATOM 452 O LEU A 56 144.414 -5.033 -4.035 1.00 0.00 O ATOM 453 CB LEU A 56 144.703 -4.447 -7.085 1.00 0.00 C ATOM 454 CG LEU A 56 143.380 -4.855 -7.645 1.00 0.00 C ATOM 455 CD1 LEU A 56 143.218 -4.337 -9.069 1.00 0.00 C ATOM 456 CD2 LEU A 56 143.215 -6.362 -7.576 1.00 0.00 C ATOM 0 H LEU A 56 146.584 -3.896 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 56 144.005 -2.629 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 56 145.284 -3.957 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 56 145.254 -5.340 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 56 142.591 -4.408 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 56 142.248 -4.644 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 56 143.281 -3.249 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 56 144.009 -4.747 -9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 56 142.245 -6.641 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 56 144.006 -6.841 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 56 143.275 -6.687 -6.537 1.00 0.00 H new ATOM 468 N ILE A 57 142.577 -3.844 -4.595 1.00 0.00 N ATOM 469 CA ILE A 57 141.730 -4.431 -3.574 1.00 0.00 C ATOM 470 C ILE A 57 141.406 -5.874 -3.951 1.00 0.00 C ATOM 471 O ILE A 57 141.002 -6.146 -5.082 1.00 0.00 O ATOM 472 CB ILE A 57 140.423 -3.635 -3.430 1.00 0.00 C ATOM 473 CG1 ILE A 57 140.724 -2.151 -3.212 1.00 0.00 C ATOM 474 CG2 ILE A 57 139.602 -4.186 -2.287 1.00 0.00 C ATOM 475 CD1 ILE A 57 140.474 -1.300 -4.435 1.00 0.00 C ATOM 0 H ILE A 57 142.109 -3.150 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 57 142.261 -4.406 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 57 139.847 -3.735 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 57 140.111 -1.781 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 57 141.765 -2.040 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 57 138.678 -3.615 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 57 139.364 -5.232 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 57 140.171 -4.109 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 140.708 -0.260 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 57 141.106 -1.644 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 57 139.427 -1.381 -4.727 1.00 0.00 H new ATOM 487 N SER A 58 141.610 -6.804 -3.020 1.00 0.00 N ATOM 488 CA SER A 58 141.359 -8.212 -3.308 1.00 0.00 C ATOM 489 C SER A 58 140.638 -8.941 -2.173 1.00 0.00 C ATOM 490 O SER A 58 140.135 -10.047 -2.376 1.00 0.00 O ATOM 491 CB SER A 58 142.678 -8.924 -3.613 1.00 0.00 C ATOM 492 OG SER A 58 143.750 -8.347 -2.888 1.00 0.00 O ATOM 0 H SER A 58 141.943 -6.612 -2.075 1.00 0.00 H new ATOM 0 HA SER A 58 140.699 -8.239 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 142.591 -9.981 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 58 142.886 -8.868 -4.681 1.00 0.00 H new ATOM 0 HG SER A 58 144.581 -8.821 -3.100 1.00 0.00 H new ATOM 498 N GLU A 59 140.573 -8.343 -0.985 1.00 0.00 N ATOM 499 CA GLU A 59 139.898 -8.984 0.125 1.00 0.00 C ATOM 500 C GLU A 59 139.049 -7.982 0.881 1.00 0.00 C ATOM 501 O GLU A 59 139.556 -7.032 1.474 1.00 0.00 O ATOM 502 CB GLU A 59 140.909 -9.640 1.068 1.00 0.00 C ATOM 503 CG GLU A 59 140.524 -11.048 1.484 1.00 0.00 C ATOM 504 CD GLU A 59 140.837 -11.338 2.940 1.00 0.00 C ATOM 505 OE1 GLU A 59 141.932 -10.952 3.402 1.00 0.00 O ATOM 506 OE2 GLU A 59 139.986 -11.948 3.621 1.00 0.00 O ATOM 0 H GLU A 59 140.975 -7.429 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 59 139.247 -9.760 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 59 141.884 -9.667 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 59 141.016 -9.023 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 59 139.458 -11.194 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 59 141.051 -11.765 0.854 1.00 0.00 H new ATOM 513 N ILE A 60 137.755 -8.211 0.858 1.00 0.00 N ATOM 514 CA ILE A 60 136.815 -7.349 1.540 1.00 0.00 C ATOM 515 C ILE A 60 136.082 -8.118 2.613 1.00 0.00 C ATOM 516 O ILE A 60 135.252 -8.981 2.327 1.00 0.00 O ATOM 517 CB ILE A 60 135.796 -6.729 0.571 1.00 0.00 C ATOM 518 CG1 ILE A 60 136.495 -5.681 -0.299 1.00 0.00 C ATOM 519 CG2 ILE A 60 134.616 -6.134 1.339 1.00 0.00 C ATOM 520 CD1 ILE A 60 136.515 -4.287 0.292 1.00 0.00 C ATOM 0 H ILE A 60 137.326 -8.996 0.368 1.00 0.00 H new ATOM 0 HA ILE A 60 137.390 -6.540 1.991 1.00 0.00 H new ATOM 0 HB ILE A 60 135.394 -7.504 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 60 137.522 -6.001 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 60 136.000 -5.644 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 60 133.906 -5.700 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 60 134.124 -6.918 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 60 134.976 -5.359 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 60 137.029 -3.610 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 60 135.492 -3.942 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 60 137.038 -4.305 1.248 1.00 0.00 H new ATOM 532 N HIS A 61 136.395 -7.796 3.846 1.00 0.00 N ATOM 533 CA HIS A 61 135.767 -8.448 4.976 1.00 0.00 C ATOM 534 C HIS A 61 134.319 -7.991 5.097 1.00 0.00 C ATOM 535 O HIS A 61 134.020 -6.809 4.931 1.00 0.00 O ATOM 536 CB HIS A 61 136.543 -8.116 6.235 1.00 0.00 C ATOM 537 CG HIS A 61 138.016 -8.245 6.056 1.00 0.00 C ATOM 538 ND1 HIS A 61 138.920 -7.738 6.943 1.00 0.00 N ATOM 539 CD2 HIS A 61 138.730 -8.705 5.015 1.00 0.00 C ATOM 540 CE1 HIS A 61 140.132 -7.859 6.444 1.00 0.00 C ATOM 541 NE2 HIS A 61 140.054 -8.446 5.264 1.00 0.00 N ATOM 0 H HIS A 61 137.082 -7.085 4.095 1.00 0.00 H new ATOM 0 HA HIS A 61 135.772 -9.528 4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 61 136.307 -7.098 6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 61 136.220 -8.776 7.040 1.00 0.00 H new ATOM 0 HD1 HIS A 61 138.693 -7.330 7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 61 138.332 -9.192 4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 61 141.043 -7.531 6.923 1.00 0.00 H new ATOM 550 N PRO A 62 133.388 -8.918 5.352 1.00 0.00 N ATOM 551 CA PRO A 62 131.975 -8.580 5.454 1.00 0.00 C ATOM 552 C PRO A 62 131.702 -7.461 6.437 1.00 0.00 C ATOM 553 O PRO A 62 132.294 -7.393 7.514 1.00 0.00 O ATOM 554 CB PRO A 62 131.305 -9.877 5.904 1.00 0.00 C ATOM 555 CG PRO A 62 132.261 -10.969 5.569 1.00 0.00 C ATOM 556 CD PRO A 62 133.634 -10.359 5.528 1.00 0.00 C ATOM 0 HA PRO A 62 131.593 -8.208 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 62 131.094 -9.857 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 62 130.353 -10.022 5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 62 132.215 -11.763 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 62 132.011 -11.419 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 62 134.185 -10.559 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 62 134.225 -10.765 4.707 1.00 0.00 H new ATOM 564 N GLY A 63 130.787 -6.586 6.039 1.00 0.00 N ATOM 565 CA GLY A 63 130.402 -5.467 6.841 1.00 0.00 C ATOM 566 C GLY A 63 131.541 -4.774 7.518 1.00 0.00 C ATOM 567 O GLY A 63 131.355 -4.103 8.533 1.00 0.00 O ATOM 0 H GLY A 63 130.299 -6.646 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 129.877 -4.748 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 63 129.695 -5.804 7.599 1.00 0.00 H new ATOM 571 N GLN A 64 132.712 -4.898 6.945 1.00 0.00 N ATOM 572 CA GLN A 64 133.856 -4.250 7.480 1.00 0.00 C ATOM 573 C GLN A 64 133.981 -2.961 6.734 1.00 0.00 C ATOM 574 O GLN A 64 133.297 -2.791 5.731 1.00 0.00 O ATOM 575 CB GLN A 64 135.083 -5.124 7.281 1.00 0.00 C ATOM 576 CG GLN A 64 135.401 -6.031 8.464 1.00 0.00 C ATOM 577 CD GLN A 64 135.350 -5.313 9.804 1.00 0.00 C ATOM 578 OE1 GLN A 64 134.396 -5.474 10.565 1.00 0.00 O ATOM 579 NE2 GLN A 64 136.371 -4.515 10.104 1.00 0.00 N ATOM 0 H GLN A 64 132.886 -5.448 6.104 1.00 0.00 H new ATOM 0 HA GLN A 64 133.765 -4.070 8.551 1.00 0.00 H new ATOM 0 HB2 GLN A 64 134.937 -5.740 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 64 135.944 -4.484 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 64 134.694 -6.861 8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 64 136.394 -6.460 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 64 137.144 -4.407 9.447 1.00 0.00 H new ATOM 0 HE22 GLN A 64 136.381 -4.011 10.991 1.00 0.00 H new ATOM 588 N PRO A 65 134.782 -2.005 7.205 1.00 0.00 N ATOM 589 CA PRO A 65 134.921 -0.717 6.549 1.00 0.00 C ATOM 590 C PRO A 65 134.731 -0.779 5.027 1.00 0.00 C ATOM 591 O PRO A 65 134.811 0.241 4.353 1.00 0.00 O ATOM 592 CB PRO A 65 136.340 -0.323 6.924 1.00 0.00 C ATOM 593 CG PRO A 65 136.522 -0.877 8.303 1.00 0.00 C ATOM 594 CD PRO A 65 135.606 -2.078 8.422 1.00 0.00 C ATOM 0 HA PRO A 65 134.158 -0.004 6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 65 137.067 -0.741 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 65 136.470 0.759 6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 65 137.560 -1.166 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 65 136.275 -0.128 9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 65 136.170 -3.010 8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 65 134.995 -2.029 9.324 1.00 0.00 H new ATOM 602 N ALA A 66 134.414 -1.964 4.488 1.00 0.00 N ATOM 603 CA ALA A 66 134.162 -2.077 3.067 1.00 0.00 C ATOM 604 C ALA A 66 132.703 -1.753 2.815 1.00 0.00 C ATOM 605 O ALA A 66 132.341 -1.109 1.831 1.00 0.00 O ATOM 606 CB ALA A 66 134.500 -3.468 2.569 1.00 0.00 C ATOM 0 H ALA A 66 134.330 -2.835 5.012 1.00 0.00 H new ATOM 0 HA ALA A 66 134.795 -1.376 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 66 134.303 -3.529 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 66 135.554 -3.675 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 66 133.887 -4.201 3.093 1.00 0.00 H new ATOM 612 N ASP A 67 131.879 -2.179 3.760 1.00 0.00 N ATOM 613 CA ASP A 67 130.462 -1.924 3.725 1.00 0.00 C ATOM 614 C ASP A 67 130.130 -0.782 4.679 1.00 0.00 C ATOM 615 O ASP A 67 129.024 -0.242 4.644 1.00 0.00 O ATOM 616 CB ASP A 67 129.680 -3.181 4.111 1.00 0.00 C ATOM 617 CG ASP A 67 128.405 -3.340 3.308 1.00 0.00 C ATOM 618 OD1 ASP A 67 128.318 -2.753 2.209 1.00 0.00 O ATOM 619 OD2 ASP A 67 127.492 -4.053 3.777 1.00 0.00 O ATOM 0 H ASP A 67 132.184 -2.713 4.574 1.00 0.00 H new ATOM 0 HA ASP A 67 130.176 -1.644 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 67 130.311 -4.057 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 67 129.435 -3.141 5.172 1.00 0.00 H new ATOM 624 N ARG A 68 131.089 -0.413 5.546 1.00 0.00 N ATOM 625 CA ARG A 68 130.844 0.664 6.496 1.00 0.00 C ATOM 626 C ARG A 68 131.029 2.025 5.838 1.00 0.00 C ATOM 627 O ARG A 68 130.397 3.005 6.235 1.00 0.00 O ATOM 628 CB ARG A 68 131.740 0.503 7.735 1.00 0.00 C ATOM 629 CG ARG A 68 132.634 1.697 8.035 1.00 0.00 C ATOM 630 CD ARG A 68 133.259 1.590 9.416 1.00 0.00 C ATOM 631 NE ARG A 68 134.640 2.062 9.432 1.00 0.00 N ATOM 632 CZ ARG A 68 135.501 1.799 10.412 1.00 0.00 C ATOM 633 NH1 ARG A 68 135.128 1.067 11.455 1.00 0.00 N ATOM 634 NH2 ARG A 68 136.739 2.267 10.348 1.00 0.00 N ATOM 0 H ARG A 68 132.015 -0.837 5.602 1.00 0.00 H new ATOM 0 HA ARG A 68 129.807 0.605 6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 68 131.107 0.314 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 68 132.367 -0.378 7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 68 133.420 1.763 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 68 132.051 2.616 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 68 132.670 2.170 10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 68 133.227 0.552 9.748 1.00 0.00 H new ATOM 0 HE ARG A 68 134.964 2.626 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 68 134.177 0.703 11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 68 135.793 0.869 12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 68 137.031 2.828 9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 68 137.400 2.066 11.099 1.00 0.00 H new ATOM 648 N CYS A 69 131.845 2.072 4.799 1.00 0.00 N ATOM 649 CA CYS A 69 132.042 3.306 4.058 1.00 0.00 C ATOM 650 C CYS A 69 131.023 3.349 2.933 1.00 0.00 C ATOM 651 O CYS A 69 130.903 4.337 2.208 1.00 0.00 O ATOM 652 CB CYS A 69 133.480 3.395 3.529 1.00 0.00 C ATOM 653 SG CYS A 69 133.715 4.460 2.082 1.00 0.00 S ATOM 0 H CYS A 69 132.379 1.276 4.451 1.00 0.00 H new ATOM 0 HA CYS A 69 131.895 4.168 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 69 134.122 3.756 4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 69 133.819 2.390 3.277 1.00 0.00 H new ATOM 0 HG CYS A 69 132.556 4.799 1.600 1.00 0.00 H new ATOM 659 N GLY A 70 130.279 2.252 2.807 1.00 0.00 N ATOM 660 CA GLY A 70 129.262 2.150 1.777 1.00 0.00 C ATOM 661 C GLY A 70 129.783 2.482 0.389 1.00 0.00 C ATOM 662 O GLY A 70 129.002 2.603 -0.553 1.00 0.00 O ATOM 0 H GLY A 70 130.364 1.429 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 70 128.857 1.138 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 70 128.439 2.822 2.020 1.00 0.00 H new ATOM 666 N GLY A 71 131.101 2.640 0.257 1.00 0.00 N ATOM 667 CA GLY A 71 131.671 2.968 -1.039 1.00 0.00 C ATOM 668 C GLY A 71 132.830 2.071 -1.441 1.00 0.00 C ATOM 669 O GLY A 71 133.395 2.238 -2.522 1.00 0.00 O ATOM 0 H GLY A 71 131.776 2.548 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 71 130.891 2.900 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 71 132.012 4.003 -1.025 1.00 0.00 H new ATOM 673 N LEU A 72 133.206 1.136 -0.574 1.00 0.00 N ATOM 674 CA LEU A 72 134.290 0.254 -0.827 1.00 0.00 C ATOM 675 C LEU A 72 133.815 -1.052 -1.421 1.00 0.00 C ATOM 676 O LEU A 72 132.696 -1.505 -1.180 1.00 0.00 O ATOM 677 CB LEU A 72 134.969 -0.039 0.492 1.00 0.00 C ATOM 678 CG LEU A 72 135.467 1.171 1.275 1.00 0.00 C ATOM 679 CD1 LEU A 72 136.668 0.795 2.103 1.00 0.00 C ATOM 680 CD2 LEU A 72 135.840 2.305 0.336 1.00 0.00 C ATOM 0 H LEU A 72 132.749 0.985 0.325 1.00 0.00 H new ATOM 0 HA LEU A 72 134.969 0.726 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 72 134.271 -0.591 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 72 135.817 -0.697 0.302 1.00 0.00 H new ATOM 0 HG LEU A 72 134.662 1.504 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 137.015 1.667 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 72 136.395 0.005 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 72 137.465 0.441 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 72 136.192 3.157 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 72 136.630 1.974 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 72 134.966 2.599 -0.245 1.00 0.00 H new ATOM 692 N HIS A 73 134.694 -1.641 -2.198 1.00 0.00 N ATOM 693 CA HIS A 73 134.424 -2.905 -2.856 1.00 0.00 C ATOM 694 C HIS A 73 135.579 -3.322 -3.758 1.00 0.00 C ATOM 695 O HIS A 73 136.190 -2.510 -4.454 1.00 0.00 O ATOM 696 CB HIS A 73 133.134 -2.791 -3.640 1.00 0.00 C ATOM 697 CG HIS A 73 133.032 -3.659 -4.845 1.00 0.00 C ATOM 698 ND1 HIS A 73 132.203 -4.756 -4.932 1.00 0.00 N ATOM 699 CD2 HIS A 73 133.646 -3.552 -6.037 1.00 0.00 C ATOM 700 CE1 HIS A 73 132.312 -5.289 -6.138 1.00 0.00 C ATOM 701 NE2 HIS A 73 133.181 -4.574 -6.829 1.00 0.00 N ATOM 0 H HIS A 73 135.619 -1.259 -2.394 1.00 0.00 H new ATOM 0 HA HIS A 73 134.318 -3.682 -2.099 1.00 0.00 H new ATOM 0 HB2 HIS A 73 132.304 -3.026 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 73 133.010 -1.754 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 73 134.370 -2.802 -6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 73 131.782 -6.159 -6.496 1.00 0.00 H new ATOM 0 HE2 HIS A 73 133.461 -4.751 -7.794 1.00 0.00 H new ATOM 710 N VAL A 74 135.856 -4.607 -3.707 1.00 0.00 N ATOM 711 CA VAL A 74 136.923 -5.231 -4.469 1.00 0.00 C ATOM 712 C VAL A 74 136.655 -5.205 -5.964 1.00 0.00 C ATOM 713 O VAL A 74 135.519 -5.287 -6.416 1.00 0.00 O ATOM 714 CB VAL A 74 137.167 -6.688 -4.023 1.00 0.00 C ATOM 715 CG1 VAL A 74 135.862 -7.468 -4.000 1.00 0.00 C ATOM 716 CG2 VAL A 74 138.189 -7.360 -4.928 1.00 0.00 C ATOM 0 H VAL A 74 135.337 -5.263 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 74 137.817 -4.641 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 74 137.569 -6.676 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 74 136.056 -8.493 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 74 135.169 -6.997 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 74 135.424 -7.474 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 74 138.348 -8.387 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 74 137.821 -7.362 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 74 139.131 -6.814 -4.881 1.00 0.00 H new ATOM 726 N GLY A 75 137.728 -5.104 -6.713 1.00 0.00 N ATOM 727 CA GLY A 75 137.642 -5.073 -8.162 1.00 0.00 C ATOM 728 C GLY A 75 138.177 -3.775 -8.722 1.00 0.00 C ATOM 729 O GLY A 75 138.564 -3.697 -9.888 1.00 0.00 O ATOM 0 H GLY A 75 138.677 -5.041 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 75 138.204 -5.909 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 75 136.604 -5.202 -8.469 1.00 0.00 H new ATOM 733 N ASP A 76 138.211 -2.763 -7.870 1.00 0.00 N ATOM 734 CA ASP A 76 138.708 -1.463 -8.226 1.00 0.00 C ATOM 735 C ASP A 76 140.193 -1.397 -7.963 1.00 0.00 C ATOM 736 O ASP A 76 140.719 -2.060 -7.071 1.00 0.00 O ATOM 737 CB ASP A 76 137.984 -0.369 -7.441 1.00 0.00 C ATOM 738 CG ASP A 76 137.357 0.674 -8.345 1.00 0.00 C ATOM 739 OD1 ASP A 76 138.076 1.227 -9.203 1.00 0.00 O ATOM 740 OD2 ASP A 76 136.145 0.938 -8.194 1.00 0.00 O ATOM 0 H ASP A 76 137.889 -2.832 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 76 138.522 -1.298 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 76 137.209 -0.822 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 76 138.689 0.116 -6.765 1.00 0.00 H new ATOM 745 N ALA A 77 140.847 -0.585 -8.743 1.00 0.00 N ATOM 746 CA ALA A 77 142.276 -0.394 -8.618 1.00 0.00 C ATOM 747 C ALA A 77 142.545 0.719 -7.622 1.00 0.00 C ATOM 748 O ALA A 77 141.941 1.780 -7.685 1.00 0.00 O ATOM 749 CB ALA A 77 142.895 -0.070 -9.971 1.00 0.00 C ATOM 0 H ALA A 77 140.412 -0.035 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 77 142.733 -1.316 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 77 143.970 0.070 -9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 77 142.708 -0.892 -10.663 1.00 0.00 H new ATOM 0 HB3 ALA A 77 142.450 0.844 -10.365 1.00 0.00 H new ATOM 755 N ILE A 78 143.430 0.450 -6.685 1.00 0.00 N ATOM 756 CA ILE A 78 143.760 1.413 -5.643 1.00 0.00 C ATOM 757 C ILE A 78 145.132 2.019 -5.879 1.00 0.00 C ATOM 758 O ILE A 78 146.138 1.319 -5.988 1.00 0.00 O ATOM 759 CB ILE A 78 143.645 0.739 -4.267 1.00 0.00 C ATOM 760 CG1 ILE A 78 142.408 1.232 -3.523 1.00 0.00 C ATOM 761 CG2 ILE A 78 144.884 0.917 -3.402 1.00 0.00 C ATOM 762 CD1 ILE A 78 142.409 2.727 -3.276 1.00 0.00 C ATOM 0 H ILE A 78 143.939 -0.432 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 78 143.050 2.239 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 78 143.550 -0.329 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 78 141.519 0.967 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 78 142.338 0.713 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 78 144.735 0.417 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 78 145.746 0.483 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 78 145.060 1.979 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 78 141.501 3.008 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 78 143.279 2.996 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 78 142.448 3.253 -4.230 1.00 0.00 H new ATOM 774 N LEU A 79 145.143 3.334 -5.976 1.00 0.00 N ATOM 775 CA LEU A 79 146.365 4.088 -6.222 1.00 0.00 C ATOM 776 C LEU A 79 146.908 4.713 -4.970 1.00 0.00 C ATOM 777 O LEU A 79 148.103 4.633 -4.683 1.00 0.00 O ATOM 778 CB LEU A 79 146.109 5.185 -7.253 1.00 0.00 C ATOM 779 CG LEU A 79 147.350 5.698 -7.963 1.00 0.00 C ATOM 780 CD1 LEU A 79 146.953 6.407 -9.246 1.00 0.00 C ATOM 781 CD2 LEU A 79 148.120 6.621 -7.038 1.00 0.00 C ATOM 0 H LEU A 79 144.308 3.913 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 79 147.104 3.380 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 145.412 4.806 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 79 145.620 6.023 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 79 147.997 4.861 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 79 147.847 6.773 -9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 79 146.427 5.710 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 79 146.300 7.247 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 79 149.010 6.988 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 79 147.489 7.464 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 79 148.415 6.075 -6.142 1.00 0.00 H new ATOM 793 N ALA A 80 146.039 5.408 -4.270 1.00 0.00 N ATOM 794 CA ALA A 80 146.476 6.132 -3.092 1.00 0.00 C ATOM 795 C ALA A 80 145.434 6.254 -1.998 1.00 0.00 C ATOM 796 O ALA A 80 144.280 5.855 -2.155 1.00 0.00 O ATOM 797 CB ALA A 80 146.920 7.504 -3.521 1.00 0.00 C ATOM 0 H ALA A 80 145.046 5.489 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 80 147.289 5.554 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 80 147.254 8.068 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 80 147.742 7.415 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 80 146.087 8.025 -3.993 1.00 0.00 H new ATOM 803 N VAL A 81 145.865 6.862 -0.891 1.00 0.00 N ATOM 804 CA VAL A 81 144.989 7.105 0.234 1.00 0.00 C ATOM 805 C VAL A 81 145.233 8.472 0.812 1.00 0.00 C ATOM 806 O VAL A 81 146.317 9.040 0.691 1.00 0.00 O ATOM 807 CB VAL A 81 145.081 6.082 1.384 1.00 0.00 C ATOM 808 CG1 VAL A 81 143.968 5.064 1.272 1.00 0.00 C ATOM 809 CG2 VAL A 81 146.436 5.427 1.453 1.00 0.00 C ATOM 0 H VAL A 81 146.821 7.193 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 81 143.990 7.012 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 81 144.955 6.621 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 81 144.046 4.348 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 143.005 5.571 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 81 144.050 4.538 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 81 146.454 4.714 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 81 146.636 4.904 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 81 147.200 6.188 1.614 1.00 0.00 H new ATOM 819 N ASN A 82 144.194 8.996 1.420 1.00 0.00 N ATOM 820 CA ASN A 82 144.236 10.334 2.030 1.00 0.00 C ATOM 821 C ASN A 82 144.212 11.415 0.952 1.00 0.00 C ATOM 822 O ASN A 82 143.911 12.575 1.231 1.00 0.00 O ATOM 823 CB ASN A 82 145.479 10.527 2.919 1.00 0.00 C ATOM 824 CG ASN A 82 146.123 9.231 3.336 1.00 0.00 C ATOM 825 OD1 ASN A 82 147.339 9.062 3.243 1.00 0.00 O ATOM 826 ND2 ASN A 82 145.304 8.308 3.801 1.00 0.00 N ATOM 0 H ASN A 82 143.295 8.523 1.513 1.00 0.00 H new ATOM 0 HA ASN A 82 143.351 10.422 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 82 146.210 11.131 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 82 145.196 11.087 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 82 145.671 7.406 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 82 144.303 8.496 3.858 1.00 0.00 H new ATOM 833 N GLY A 83 144.532 11.025 -0.279 1.00 0.00 N ATOM 834 CA GLY A 83 144.542 11.965 -1.384 1.00 0.00 C ATOM 835 C GLY A 83 145.911 12.101 -2.027 1.00 0.00 C ATOM 836 O GLY A 83 146.128 12.988 -2.852 1.00 0.00 O ATOM 0 H GLY A 83 144.786 10.070 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 83 143.822 11.642 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 83 144.214 12.942 -1.028 1.00 0.00 H new ATOM 840 N VAL A 84 146.842 11.228 -1.646 1.00 0.00 N ATOM 841 CA VAL A 84 148.194 11.271 -2.192 1.00 0.00 C ATOM 842 C VAL A 84 148.636 9.919 -2.736 1.00 0.00 C ATOM 843 O VAL A 84 148.501 8.903 -2.058 1.00 0.00 O ATOM 844 CB VAL A 84 149.206 11.722 -1.125 1.00 0.00 C ATOM 845 CG1 VAL A 84 150.570 11.970 -1.752 1.00 0.00 C ATOM 846 CG2 VAL A 84 148.708 12.963 -0.398 1.00 0.00 C ATOM 0 H VAL A 84 146.684 10.486 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 84 148.169 11.990 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 84 149.309 10.922 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 84 151.272 12.288 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 84 150.930 11.051 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 84 150.486 12.749 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 84 149.440 13.264 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 84 148.569 13.773 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 84 147.758 12.742 0.090 1.00 0.00 H new ATOM 856 N ASN A 85 149.206 9.922 -3.946 1.00 0.00 N ATOM 857 CA ASN A 85 149.703 8.694 -4.569 1.00 0.00 C ATOM 858 C ASN A 85 150.775 8.109 -3.711 1.00 0.00 C ATOM 859 O ASN A 85 151.682 8.819 -3.276 1.00 0.00 O ATOM 860 CB ASN A 85 150.241 8.979 -5.972 1.00 0.00 C ATOM 861 CG ASN A 85 151.363 9.999 -5.965 1.00 0.00 C ATOM 862 OD1 ASN A 85 152.535 9.649 -5.826 1.00 0.00 O ATOM 863 ND2 ASN A 85 151.008 11.270 -6.115 1.00 0.00 N ATOM 0 H ASN A 85 149.334 10.761 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 85 148.882 7.983 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 85 150.600 8.051 -6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 85 149.429 9.340 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 85 151.719 12.001 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 85 150.024 11.515 -6.227 1.00 0.00 H new ATOM 870 N LEU A 86 150.684 6.809 -3.443 1.00 0.00 N ATOM 871 CA LEU A 86 151.679 6.224 -2.616 1.00 0.00 C ATOM 872 C LEU A 86 152.655 5.455 -3.410 1.00 0.00 C ATOM 873 O LEU A 86 152.605 4.225 -3.492 1.00 0.00 O ATOM 874 CB LEU A 86 151.090 5.259 -1.622 1.00 0.00 C ATOM 875 CG LEU A 86 150.263 5.881 -0.508 1.00 0.00 C ATOM 876 CD1 LEU A 86 148.810 5.979 -0.919 1.00 0.00 C ATOM 877 CD2 LEU A 86 150.392 5.063 0.752 1.00 0.00 C ATOM 0 H LEU A 86 149.955 6.180 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 86 152.157 7.059 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 86 150.463 4.548 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 86 151.903 4.689 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 86 150.638 6.886 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 86 148.232 6.426 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 86 148.725 6.599 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 86 148.424 4.982 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 86 149.796 5.517 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 86 150.036 4.050 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 86 151.437 5.030 1.059 1.00 0.00 H new ATOM 889 N ARG A 87 153.617 6.165 -3.874 1.00 0.00 N ATOM 890 CA ARG A 87 154.701 5.515 -4.521 1.00 0.00 C ATOM 891 C ARG A 87 155.747 5.371 -3.454 1.00 0.00 C ATOM 892 O ARG A 87 156.548 6.272 -3.204 1.00 0.00 O ATOM 893 CB ARG A 87 155.153 6.386 -5.676 1.00 0.00 C ATOM 894 CG ARG A 87 154.664 5.893 -7.018 1.00 0.00 C ATOM 895 CD ARG A 87 155.190 6.749 -8.160 1.00 0.00 C ATOM 896 NE ARG A 87 155.745 5.940 -9.244 1.00 0.00 N ATOM 897 CZ ARG A 87 156.957 5.390 -9.211 1.00 0.00 C ATOM 898 NH1 ARG A 87 157.741 5.557 -8.154 1.00 0.00 N ATOM 899 NH2 ARG A 87 157.384 4.670 -10.239 1.00 0.00 N ATOM 0 H ARG A 87 153.679 7.182 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 87 154.460 4.539 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 87 154.796 7.403 -5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 87 156.242 6.429 -5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 87 154.980 4.860 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 87 153.574 5.898 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 87 154.383 7.370 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 87 155.958 7.424 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 87 155.171 5.788 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 87 157.416 6.109 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 87 158.668 5.133 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 87 156.784 4.538 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 87 158.312 4.248 -10.215 1.00 0.00 H new ATOM 913 N ASP A 88 155.730 4.210 -2.832 1.00 0.00 N ATOM 914 CA ASP A 88 156.667 3.902 -1.791 1.00 0.00 C ATOM 915 C ASP A 88 157.225 2.519 -2.009 1.00 0.00 C ATOM 916 O ASP A 88 156.601 1.526 -1.645 1.00 0.00 O ATOM 917 CB ASP A 88 155.991 4.027 -0.432 1.00 0.00 C ATOM 918 CG ASP A 88 155.596 5.456 -0.117 1.00 0.00 C ATOM 919 OD1 ASP A 88 156.476 6.236 0.304 1.00 0.00 O ATOM 920 OD2 ASP A 88 154.406 5.795 -0.289 1.00 0.00 O ATOM 0 H ASP A 88 155.067 3.463 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 88 157.496 4.610 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 88 155.104 3.394 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 88 156.665 3.659 0.342 1.00 0.00 H new ATOM 925 N THR A 89 158.382 2.464 -2.607 1.00 0.00 N ATOM 926 CA THR A 89 159.041 1.190 -2.899 1.00 0.00 C ATOM 927 C THR A 89 158.038 0.228 -3.503 1.00 0.00 C ATOM 928 O THR A 89 157.831 0.175 -4.715 1.00 0.00 O ATOM 929 CB THR A 89 159.697 0.574 -1.623 1.00 0.00 C ATOM 930 OG1 THR A 89 159.260 -0.782 -1.365 1.00 0.00 O ATOM 931 CG2 THR A 89 159.445 1.361 -0.358 1.00 0.00 C ATOM 0 H THR A 89 158.904 3.286 -2.910 1.00 0.00 H new ATOM 0 HA THR A 89 159.842 1.374 -3.615 1.00 0.00 H new ATOM 0 HB THR A 89 160.761 0.599 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 89 158.870 -0.835 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 89 159.934 0.867 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 89 159.846 2.368 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 89 158.372 1.417 -0.172 1.00 0.00 H new ATOM 939 N LYS A 90 157.430 -0.515 -2.622 1.00 0.00 N ATOM 940 CA LYS A 90 156.431 -1.500 -2.959 1.00 0.00 C ATOM 941 C LYS A 90 155.183 -1.244 -2.136 1.00 0.00 C ATOM 942 O LYS A 90 155.165 -0.441 -1.204 1.00 0.00 O ATOM 943 CB LYS A 90 157.021 -2.889 -2.716 1.00 0.00 C ATOM 944 CG LYS A 90 158.480 -3.026 -3.137 1.00 0.00 C ATOM 945 CD LYS A 90 158.600 -3.558 -4.555 1.00 0.00 C ATOM 946 CE LYS A 90 159.907 -3.129 -5.204 1.00 0.00 C ATOM 947 NZ LYS A 90 160.896 -4.240 -5.249 1.00 0.00 N ATOM 0 H LYS A 90 157.618 -0.454 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 90 156.144 -1.436 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 90 156.936 -3.128 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 90 156.427 -3.625 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 90 158.973 -2.056 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 158.997 -3.696 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 90 158.539 -4.646 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 90 157.761 -3.199 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 90 159.711 -2.777 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 90 160.329 -2.290 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 161.773 -3.906 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 161.103 -4.560 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 160.504 -5.031 -5.799 1.00 0.00 H new ATOM 961 N HIS A 91 154.157 -1.916 -2.540 1.00 0.00 N ATOM 962 CA HIS A 91 152.824 -1.823 -1.951 1.00 0.00 C ATOM 963 C HIS A 91 152.832 -1.870 -0.426 1.00 0.00 C ATOM 964 O HIS A 91 152.019 -1.211 0.224 1.00 0.00 O ATOM 965 CB HIS A 91 152.067 -3.046 -2.442 1.00 0.00 C ATOM 966 CG HIS A 91 150.715 -3.230 -1.902 1.00 0.00 C ATOM 967 ND1 HIS A 91 149.636 -3.497 -2.691 1.00 0.00 N ATOM 968 CD2 HIS A 91 150.267 -3.133 -0.662 1.00 0.00 C ATOM 969 CE1 HIS A 91 148.566 -3.540 -1.947 1.00 0.00 C ATOM 970 NE2 HIS A 91 148.907 -3.319 -0.694 1.00 0.00 N ATOM 0 H HIS A 91 154.205 -2.575 -3.317 1.00 0.00 H new ATOM 0 HA HIS A 91 152.379 -0.871 -2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 91 151.998 -2.993 -3.529 1.00 0.00 H new ATOM 0 HB3 HIS A 91 152.655 -3.932 -2.203 1.00 0.00 H new ATOM 0 HD1 HIS A 91 149.661 -3.640 -3.701 1.00 0.00 H new ATOM 0 HD2 HIS A 91 150.863 -2.942 0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 91 147.563 -3.727 -2.301 1.00 0.00 H new ATOM 979 N LYS A 92 153.715 -2.666 0.138 1.00 0.00 N ATOM 980 CA LYS A 92 153.780 -2.822 1.584 1.00 0.00 C ATOM 981 C LYS A 92 154.085 -1.522 2.278 1.00 0.00 C ATOM 982 O LYS A 92 153.739 -1.335 3.444 1.00 0.00 O ATOM 983 CB LYS A 92 154.830 -3.843 1.930 1.00 0.00 C ATOM 984 CG LYS A 92 154.483 -4.685 3.126 1.00 0.00 C ATOM 985 CD LYS A 92 155.698 -4.869 4.028 1.00 0.00 C ATOM 986 CE LYS A 92 156.879 -5.479 3.273 1.00 0.00 C ATOM 987 NZ LYS A 92 157.890 -4.456 2.855 1.00 0.00 N ATOM 0 H LYS A 92 154.400 -3.217 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 92 152.802 -3.156 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 92 154.987 -4.495 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 92 155.774 -3.331 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 92 153.676 -4.213 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 92 154.117 -5.658 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 92 155.991 -3.905 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 92 155.433 -5.511 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 92 157.362 -6.224 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 92 156.510 -6.001 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 158.624 -4.910 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 157.422 -3.712 2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 158.327 -4.034 3.699 1.00 0.00 H new ATOM 1001 N GLU A 93 154.705 -0.610 1.568 1.00 0.00 N ATOM 1002 CA GLU A 93 155.000 0.671 2.155 1.00 0.00 C ATOM 1003 C GLU A 93 153.684 1.372 2.471 1.00 0.00 C ATOM 1004 O GLU A 93 153.619 2.234 3.347 1.00 0.00 O ATOM 1005 CB GLU A 93 155.857 1.498 1.220 1.00 0.00 C ATOM 1006 CG GLU A 93 157.196 1.894 1.827 1.00 0.00 C ATOM 1007 CD GLU A 93 157.052 2.800 3.036 1.00 0.00 C ATOM 1008 OE1 GLU A 93 155.904 3.064 3.449 1.00 0.00 O ATOM 1009 OE2 GLU A 93 158.089 3.247 3.569 1.00 0.00 O ATOM 0 H GLU A 93 155.009 -0.728 0.602 1.00 0.00 H new ATOM 0 HA GLU A 93 155.566 0.540 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 93 156.033 0.934 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 93 155.312 2.399 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 93 157.738 0.994 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 93 157.797 2.399 1.071 1.00 0.00 H new ATOM 1016 N ALA A 94 152.620 0.962 1.779 1.00 0.00 N ATOM 1017 CA ALA A 94 151.303 1.520 2.034 1.00 0.00 C ATOM 1018 C ALA A 94 150.782 1.030 3.372 1.00 0.00 C ATOM 1019 O ALA A 94 150.306 1.817 4.186 1.00 0.00 O ATOM 1020 CB ALA A 94 150.338 1.155 0.920 1.00 0.00 C ATOM 0 H ALA A 94 152.649 0.253 1.046 1.00 0.00 H new ATOM 0 HA ALA A 94 151.386 2.606 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 94 149.358 1.583 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 94 150.709 1.549 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 94 150.253 0.070 0.853 1.00 0.00 H new ATOM 1026 N VAL A 95 150.902 -0.274 3.602 1.00 0.00 N ATOM 1027 CA VAL A 95 150.464 -0.872 4.852 1.00 0.00 C ATOM 1028 C VAL A 95 151.218 -0.252 6.004 1.00 0.00 C ATOM 1029 O VAL A 95 150.641 0.147 7.012 1.00 0.00 O ATOM 1030 CB VAL A 95 150.748 -2.390 4.927 1.00 0.00 C ATOM 1031 CG1 VAL A 95 149.523 -3.151 5.374 1.00 0.00 C ATOM 1032 CG2 VAL A 95 151.281 -2.965 3.637 1.00 0.00 C ATOM 0 H VAL A 95 151.300 -0.935 2.935 1.00 0.00 H new ATOM 0 HA VAL A 95 149.389 -0.698 4.905 1.00 0.00 H new ATOM 0 HB VAL A 95 151.535 -2.509 5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 95 149.752 -4.216 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 95 149.220 -2.804 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 95 148.712 -2.983 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 95 151.458 -4.033 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 95 150.554 -2.807 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 95 152.217 -2.470 3.377 1.00 0.00 H new ATOM 1042 N THR A 96 152.525 -0.171 5.821 1.00 0.00 N ATOM 1043 CA THR A 96 153.394 0.417 6.830 1.00 0.00 C ATOM 1044 C THR A 96 153.019 1.874 7.012 1.00 0.00 C ATOM 1045 O THR A 96 153.059 2.421 8.114 1.00 0.00 O ATOM 1046 CB THR A 96 154.875 0.262 6.452 1.00 0.00 C ATOM 1047 OG1 THR A 96 155.685 0.247 7.614 1.00 0.00 O ATOM 1048 CG2 THR A 96 155.401 1.351 5.544 1.00 0.00 C ATOM 0 H THR A 96 153.008 -0.503 4.986 1.00 0.00 H new ATOM 0 HA THR A 96 153.256 -0.109 7.774 1.00 0.00 H new ATOM 0 HB THR A 96 154.927 -0.682 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 96 156.625 0.146 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 96 156.453 1.166 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 96 154.833 1.355 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 96 155.297 2.318 6.037 1.00 0.00 H new ATOM 1056 N ILE A 97 152.651 2.485 5.896 1.00 0.00 N ATOM 1057 CA ILE A 97 152.253 3.873 5.864 1.00 0.00 C ATOM 1058 C ILE A 97 150.968 4.086 6.660 1.00 0.00 C ATOM 1059 O ILE A 97 150.883 5.001 7.478 1.00 0.00 O ATOM 1060 CB ILE A 97 152.058 4.298 4.395 1.00 0.00 C ATOM 1061 CG1 ILE A 97 153.336 4.944 3.860 1.00 0.00 C ATOM 1062 CG2 ILE A 97 150.870 5.242 4.231 1.00 0.00 C ATOM 1063 CD1 ILE A 97 153.410 4.975 2.345 1.00 0.00 C ATOM 0 H ILE A 97 152.622 2.025 4.986 1.00 0.00 H new ATOM 0 HA ILE A 97 153.030 4.485 6.323 1.00 0.00 H new ATOM 0 HB ILE A 97 151.842 3.401 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 97 153.405 5.963 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 97 154.198 4.400 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 97 150.767 5.518 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 97 149.960 4.744 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 97 151.033 6.139 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 97 154.343 5.447 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 97 153.373 3.957 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 97 152.568 5.544 1.951 1.00 0.00 H new ATOM 1075 N LEU A 98 149.973 3.231 6.432 1.00 0.00 N ATOM 1076 CA LEU A 98 148.725 3.336 7.146 1.00 0.00 C ATOM 1077 C LEU A 98 148.867 2.803 8.573 1.00 0.00 C ATOM 1078 O LEU A 98 148.338 3.384 9.516 1.00 0.00 O ATOM 1079 CB LEU A 98 147.612 2.594 6.402 1.00 0.00 C ATOM 1080 CG LEU A 98 147.973 1.248 5.759 1.00 0.00 C ATOM 1081 CD1 LEU A 98 147.735 0.106 6.738 1.00 0.00 C ATOM 1082 CD2 LEU A 98 147.161 1.038 4.489 1.00 0.00 C ATOM 0 H LEU A 98 150.016 2.465 5.760 1.00 0.00 H new ATOM 0 HA LEU A 98 148.456 4.391 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 98 146.793 2.425 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 98 147.233 3.251 5.619 1.00 0.00 H new ATOM 0 HG LEU A 98 149.031 1.260 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 98 147.997 -0.840 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 98 148.353 0.251 7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 98 146.684 0.088 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 98 147.426 0.080 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 98 146.098 1.044 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 98 147.376 1.840 3.783 1.00 0.00 H new ATOM 1094 N SER A 99 149.594 1.698 8.725 1.00 0.00 N ATOM 1095 CA SER A 99 149.814 1.093 10.033 1.00 0.00 C ATOM 1096 C SER A 99 150.423 2.094 11.008 1.00 0.00 C ATOM 1097 O SER A 99 150.231 1.991 12.220 1.00 0.00 O ATOM 1098 CB SER A 99 150.725 -0.129 9.905 1.00 0.00 C ATOM 1099 OG SER A 99 150.099 -1.156 9.155 1.00 0.00 O ATOM 0 H SER A 99 150.042 1.203 7.954 1.00 0.00 H new ATOM 0 HA SER A 99 148.846 0.780 10.424 1.00 0.00 H new ATOM 0 HB2 SER A 99 151.660 0.159 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 99 150.979 -0.502 10.897 1.00 0.00 H new ATOM 0 HG SER A 99 150.317 -1.047 8.206 1.00 0.00 H new ATOM 1105 N GLN A 100 151.170 3.056 10.472 1.00 0.00 N ATOM 1106 CA GLN A 100 151.821 4.064 11.300 1.00 0.00 C ATOM 1107 C GLN A 100 150.943 5.299 11.481 1.00 0.00 C ATOM 1108 O GLN A 100 151.451 6.412 11.623 1.00 0.00 O ATOM 1109 CB GLN A 100 153.166 4.466 10.688 1.00 0.00 C ATOM 1110 CG GLN A 100 153.041 5.240 9.384 1.00 0.00 C ATOM 1111 CD GLN A 100 154.336 5.921 8.986 1.00 0.00 C ATOM 1112 OE1 GLN A 100 155.275 6.006 9.778 1.00 0.00 O ATOM 1113 NE2 GLN A 100 154.392 6.412 7.753 1.00 0.00 N ATOM 0 H GLN A 100 151.338 3.158 9.471 1.00 0.00 H new ATOM 0 HA GLN A 100 151.987 3.624 12.283 1.00 0.00 H new ATOM 0 HB2 GLN A 100 153.715 5.072 11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 100 153.757 3.567 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 100 152.733 4.560 8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 100 152.256 5.990 9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 100 153.590 6.319 7.130 1.00 0.00 H new ATOM 0 HE22 GLN A 100 155.237 6.882 7.429 1.00 0.00 H new ATOM 1122 N GLN A 101 149.624 5.108 11.477 1.00 0.00 N ATOM 1123 CA GLN A 101 148.702 6.215 11.642 1.00 0.00 C ATOM 1124 C GLN A 101 147.251 5.746 11.555 1.00 0.00 C ATOM 1125 O GLN A 101 146.946 4.759 10.889 1.00 0.00 O ATOM 1126 CB GLN A 101 148.959 7.269 10.573 1.00 0.00 C ATOM 1127 CG GLN A 101 149.444 6.702 9.247 1.00 0.00 C ATOM 1128 CD GLN A 101 148.774 7.355 8.053 1.00 0.00 C ATOM 1129 OE1 GLN A 101 149.261 8.353 7.522 1.00 0.00 O ATOM 1130 NE2 GLN A 101 147.650 6.792 7.625 1.00 0.00 N ATOM 0 H GLN A 101 149.178 4.198 11.361 1.00 0.00 H new ATOM 0 HA GLN A 101 148.867 6.644 12.631 1.00 0.00 H new ATOM 0 HB2 GLN A 101 148.040 7.830 10.402 1.00 0.00 H new ATOM 0 HB3 GLN A 101 149.699 7.977 10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 101 150.523 6.836 9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 101 149.254 5.629 9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 101 147.282 5.965 8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 101 147.154 7.186 6.826 1.00 0.00 H new ATOM 1139 N ARG A 102 146.360 6.463 12.233 1.00 0.00 N ATOM 1140 CA ARG A 102 144.945 6.121 12.233 1.00 0.00 C ATOM 1141 C ARG A 102 144.108 7.335 11.808 1.00 0.00 C ATOM 1142 O ARG A 102 144.590 8.467 11.864 1.00 0.00 O ATOM 1143 CB ARG A 102 144.525 5.632 13.626 1.00 0.00 C ATOM 1144 CG ARG A 102 144.392 6.744 14.655 1.00 0.00 C ATOM 1145 CD ARG A 102 144.114 6.187 16.042 1.00 0.00 C ATOM 1146 NE ARG A 102 143.721 7.233 16.984 1.00 0.00 N ATOM 1147 CZ ARG A 102 144.583 8.046 17.593 1.00 0.00 C ATOM 1148 NH1 ARG A 102 145.884 7.941 17.357 1.00 0.00 N ATOM 1149 NH2 ARG A 102 144.140 8.967 18.437 1.00 0.00 N ATOM 0 H ARG A 102 146.595 7.285 12.789 1.00 0.00 H new ATOM 0 HA ARG A 102 144.771 5.318 11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 102 143.572 5.109 13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 102 145.257 4.907 13.982 1.00 0.00 H new ATOM 0 HG2 ARG A 102 145.308 7.334 14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 102 143.586 7.417 14.363 1.00 0.00 H new ATOM 0 HD2 ARG A 102 143.323 5.439 15.980 1.00 0.00 H new ATOM 0 HD3 ARG A 102 145.004 5.680 16.414 1.00 0.00 H new ATOM 0 HE ARG A 102 142.728 7.347 17.187 1.00 0.00 H new ATOM 0 HH11 ARG A 102 146.229 7.235 16.706 1.00 0.00 H new ATOM 0 HH12 ARG A 102 146.539 8.566 17.826 1.00 0.00 H new ATOM 0 HH21 ARG A 102 143.140 9.053 18.620 1.00 0.00 H new ATOM 0 HH22 ARG A 102 144.799 9.590 18.904 1.00 0.00 H new ATOM 1163 N GLY A 103 142.864 7.107 11.381 1.00 0.00 N ATOM 1164 CA GLY A 103 142.021 8.209 10.960 1.00 0.00 C ATOM 1165 C GLY A 103 141.248 7.887 9.700 1.00 0.00 C ATOM 1166 O GLY A 103 140.934 6.725 9.438 1.00 0.00 O ATOM 0 H GLY A 103 142.432 6.185 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 103 141.323 8.456 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 103 142.637 9.092 10.791 1.00 0.00 H new ATOM 1170 N GLU A 104 140.930 8.912 8.918 1.00 0.00 N ATOM 1171 CA GLU A 104 140.180 8.710 7.688 1.00 0.00 C ATOM 1172 C GLU A 104 141.091 8.347 6.519 1.00 0.00 C ATOM 1173 O GLU A 104 141.929 9.140 6.076 1.00 0.00 O ATOM 1174 CB GLU A 104 139.377 9.969 7.346 1.00 0.00 C ATOM 1175 CG GLU A 104 140.232 11.143 6.890 1.00 0.00 C ATOM 1176 CD GLU A 104 139.472 12.454 6.895 1.00 0.00 C ATOM 1177 OE1 GLU A 104 138.936 12.826 7.961 1.00 0.00 O ATOM 1178 OE2 GLU A 104 139.413 13.110 5.834 1.00 0.00 O ATOM 0 H GLU A 104 141.178 9.882 9.113 1.00 0.00 H new ATOM 0 HA GLU A 104 139.500 7.875 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 104 138.660 9.728 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 104 138.802 10.270 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 104 141.102 11.229 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 104 140.605 10.947 5.885 1.00 0.00 H new ATOM 1185 N ILE A 105 140.895 7.164 5.965 1.00 0.00 N ATOM 1186 CA ILE A 105 141.642 6.758 4.867 1.00 0.00 C ATOM 1187 C ILE A 105 140.829 7.001 3.650 1.00 0.00 C ATOM 1188 O ILE A 105 139.708 6.518 3.491 1.00 0.00 O ATOM 1189 CB ILE A 105 142.072 5.303 4.976 1.00 0.00 C ATOM 1190 CG1 ILE A 105 143.520 5.193 4.576 1.00 0.00 C ATOM 1191 CG2 ILE A 105 141.209 4.385 4.139 1.00 0.00 C ATOM 1192 CD1 ILE A 105 144.407 4.627 5.657 1.00 0.00 C ATOM 0 H ILE A 105 140.207 6.484 6.288 1.00 0.00 H new ATOM 0 HA ILE A 105 142.566 7.334 4.819 1.00 0.00 H new ATOM 0 HB ILE A 105 141.946 4.982 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 105 143.596 4.563 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 105 143.887 6.181 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 105 141.556 3.358 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 105 140.173 4.456 4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 105 141.275 4.679 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 105 145.434 4.578 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 105 144.362 5.268 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 105 144.067 3.625 5.920 1.00 0.00 H new ATOM 1204 N GLU A 106 141.411 7.777 2.828 1.00 0.00 N ATOM 1205 CA GLU A 106 140.784 8.164 1.591 1.00 0.00 C ATOM 1206 C GLU A 106 141.224 7.226 0.520 1.00 0.00 C ATOM 1207 O GLU A 106 142.401 6.983 0.329 1.00 0.00 O ATOM 1208 CB GLU A 106 141.150 9.587 1.221 1.00 0.00 C ATOM 1209 CG GLU A 106 141.721 9.756 -0.193 1.00 0.00 C ATOM 1210 CD GLU A 106 141.702 11.201 -0.655 1.00 0.00 C ATOM 1211 OE1 GLU A 106 141.699 12.101 0.211 1.00 0.00 O ATOM 1212 OE2 GLU A 106 141.682 11.431 -1.882 1.00 0.00 O ATOM 0 H GLU A 106 142.339 8.174 2.975 1.00 0.00 H new ATOM 0 HA GLU A 106 139.701 8.118 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 106 140.262 10.212 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 106 141.881 9.958 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 106 142.745 9.384 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 106 141.145 9.147 -0.890 1.00 0.00 H new ATOM 1219 N PHE A 107 140.263 6.687 -0.154 1.00 0.00 N ATOM 1220 CA PHE A 107 140.543 5.733 -1.198 1.00 0.00 C ATOM 1221 C PHE A 107 140.381 6.338 -2.580 1.00 0.00 C ATOM 1222 O PHE A 107 139.282 6.689 -2.997 1.00 0.00 O ATOM 1223 CB PHE A 107 139.586 4.557 -1.065 1.00 0.00 C ATOM 1224 CG PHE A 107 140.016 3.448 -0.139 1.00 0.00 C ATOM 1225 CD1 PHE A 107 139.902 3.547 1.256 1.00 0.00 C ATOM 1226 CD2 PHE A 107 140.503 2.267 -0.679 1.00 0.00 C ATOM 1227 CE1 PHE A 107 140.274 2.481 2.057 1.00 0.00 C ATOM 1228 CE2 PHE A 107 140.868 1.210 0.126 1.00 0.00 C ATOM 1229 CZ PHE A 107 140.752 1.315 1.493 1.00 0.00 C ATOM 0 H PHE A 107 139.273 6.885 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 107 141.579 5.412 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 107 138.624 4.936 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 107 139.426 4.132 -2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 107 139.524 4.454 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 107 140.598 2.174 -1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 107 140.190 2.562 3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 107 141.245 0.299 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 107 141.035 0.486 2.124 1.00 0.00 H new ATOM 1239 N GLU A 108 141.478 6.366 -3.308 1.00 0.00 N ATOM 1240 CA GLU A 108 141.473 6.828 -4.686 1.00 0.00 C ATOM 1241 C GLU A 108 141.649 5.615 -5.542 1.00 0.00 C ATOM 1242 O GLU A 108 142.655 4.912 -5.438 1.00 0.00 O ATOM 1243 CB GLU A 108 142.556 7.867 -4.981 1.00 0.00 C ATOM 1244 CG GLU A 108 143.628 7.979 -3.909 1.00 0.00 C ATOM 1245 CD GLU A 108 144.443 9.249 -4.034 1.00 0.00 C ATOM 1246 OE1 GLU A 108 144.674 9.698 -5.177 1.00 0.00 O ATOM 1247 OE2 GLU A 108 144.851 9.796 -2.989 1.00 0.00 O ATOM 0 H GLU A 108 142.393 6.072 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 108 140.532 7.338 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 108 143.032 7.618 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 108 142.083 8.841 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 108 143.159 7.948 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 108 144.292 7.117 -3.973 1.00 0.00 H new ATOM 1254 N VAL A 109 140.643 5.322 -6.339 1.00 0.00 N ATOM 1255 CA VAL A 109 140.702 4.119 -7.139 1.00 0.00 C ATOM 1256 C VAL A 109 140.578 4.354 -8.624 1.00 0.00 C ATOM 1257 O VAL A 109 140.002 5.340 -9.084 1.00 0.00 O ATOM 1258 CB VAL A 109 139.632 3.103 -6.693 1.00 0.00 C ATOM 1259 CG1 VAL A 109 139.714 2.900 -5.195 1.00 0.00 C ATOM 1260 CG2 VAL A 109 138.236 3.551 -7.095 1.00 0.00 C ATOM 0 H VAL A 109 139.798 5.882 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 109 141.700 3.717 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 109 139.828 2.156 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 109 138.956 2.181 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 109 140.702 2.522 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 109 139.543 3.850 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 109 137.507 2.811 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 109 138.014 4.512 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 109 138.184 3.652 -8.179 1.00 0.00 H new ATOM 1270 N VAL A 110 141.138 3.406 -9.362 1.00 0.00 N ATOM 1271 CA VAL A 110 141.116 3.456 -10.817 1.00 0.00 C ATOM 1272 C VAL A 110 140.370 2.256 -11.392 1.00 0.00 C ATOM 1273 O VAL A 110 140.607 1.117 -10.991 1.00 0.00 O ATOM 1274 CB VAL A 110 142.540 3.495 -11.405 1.00 0.00 C ATOM 1275 CG1 VAL A 110 142.495 3.800 -12.894 1.00 0.00 C ATOM 1276 CG2 VAL A 110 143.395 4.517 -10.670 1.00 0.00 C ATOM 0 H VAL A 110 141.614 2.591 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 110 140.597 4.373 -11.095 1.00 0.00 H new ATOM 0 HB VAL A 110 142.994 2.513 -11.272 1.00 0.00 H new ATOM 0 HG11 VAL A 110 143.510 3.823 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 110 141.922 3.027 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 110 142.021 4.768 -13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 110 144.397 4.530 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 110 142.946 5.505 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 110 143.456 4.249 -9.615 1.00 0.00 H new ATOM 1286 N TYR A 111 139.466 2.519 -12.330 1.00 0.00 N ATOM 1287 CA TYR A 111 138.685 1.459 -12.955 1.00 0.00 C ATOM 1288 C TYR A 111 139.478 0.779 -14.066 1.00 0.00 C ATOM 1289 O TYR A 111 139.690 1.353 -15.133 1.00 0.00 O ATOM 1290 CB TYR A 111 137.378 2.022 -13.516 1.00 0.00 C ATOM 1291 CG TYR A 111 136.341 0.964 -13.815 1.00 0.00 C ATOM 1292 CD1 TYR A 111 136.070 -0.048 -12.902 1.00 0.00 C ATOM 1293 CD2 TYR A 111 135.631 0.977 -15.009 1.00 0.00 C ATOM 1294 CE1 TYR A 111 135.123 -1.017 -13.171 1.00 0.00 C ATOM 1295 CE2 TYR A 111 134.681 0.012 -15.285 1.00 0.00 C ATOM 1296 CZ TYR A 111 134.431 -0.983 -14.364 1.00 0.00 C ATOM 1297 OH TYR A 111 133.488 -1.945 -14.636 1.00 0.00 O ATOM 0 H TYR A 111 139.257 3.456 -12.673 1.00 0.00 H new ATOM 0 HA TYR A 111 138.454 0.716 -12.192 1.00 0.00 H new ATOM 0 HB2 TYR A 111 136.963 2.734 -12.802 1.00 0.00 H new ATOM 0 HB3 TYR A 111 137.594 2.576 -14.430 1.00 0.00 H new ATOM 0 HD1 TYR A 111 136.609 -0.077 -11.966 1.00 0.00 H new ATOM 0 HD2 TYR A 111 135.825 1.754 -15.734 1.00 0.00 H new ATOM 0 HE1 TYR A 111 134.925 -1.797 -12.451 1.00 0.00 H new ATOM 0 HE2 TYR A 111 134.137 0.037 -16.218 1.00 0.00 H new ATOM 0 HH TYR A 111 133.092 -1.776 -15.516 1.00 0.00 H new ATOM 1307 N VAL A 112 139.912 -0.451 -13.806 1.00 0.00 N ATOM 1308 CA VAL A 112 140.681 -1.212 -14.785 1.00 0.00 C ATOM 1309 C VAL A 112 139.913 -2.445 -15.248 1.00 0.00 C ATOM 1310 O VAL A 112 139.543 -3.269 -14.386 1.00 0.00 O ATOM 1311 CB VAL A 112 142.039 -1.655 -14.209 1.00 0.00 C ATOM 1312 CG1 VAL A 112 143.006 -0.482 -14.158 1.00 0.00 C ATOM 1313 CG2 VAL A 112 141.862 -2.271 -12.830 1.00 0.00 C ATOM 1314 OXT VAL A 112 139.686 -2.575 -16.470 1.00 0.00 O ATOM 0 H VAL A 112 139.745 -0.941 -12.927 1.00 0.00 H new ATOM 0 HA VAL A 112 140.852 -0.552 -15.636 1.00 0.00 H new ATOM 0 HB VAL A 112 142.460 -2.415 -14.867 1.00 0.00 H new ATOM 0 HG11 VAL A 112 143.960 -0.814 -13.748 1.00 0.00 H new ATOM 0 HG12 VAL A 112 143.159 -0.093 -15.165 1.00 0.00 H new ATOM 0 HG13 VAL A 112 142.593 0.303 -13.525 1.00 0.00 H new ATOM 0 HG21 VAL A 112 142.833 -2.577 -12.441 1.00 0.00 H new ATOM 0 HG22 VAL A 112 141.417 -1.537 -12.158 1.00 0.00 H new ATOM 0 HG23 VAL A 112 141.209 -3.141 -12.901 1.00 0.00 H new TER 1324 VAL A 112 ATOM 1325 N GLU B 113 163.669 -5.467 1.345 1.00 0.00 N ATOM 1326 CA GLU B 113 163.516 -6.494 2.408 1.00 0.00 C ATOM 1327 C GLU B 113 162.211 -7.267 2.245 1.00 0.00 C ATOM 1328 O GLU B 113 161.128 -6.735 2.490 1.00 0.00 O ATOM 1329 CB GLU B 113 163.548 -5.796 3.769 1.00 0.00 C ATOM 1330 CG GLU B 113 162.589 -4.622 3.875 1.00 0.00 C ATOM 1331 CD GLU B 113 161.847 -4.591 5.197 1.00 0.00 C ATOM 1332 OE1 GLU B 113 161.583 -5.677 5.754 1.00 0.00 O ATOM 1333 OE2 GLU B 113 161.532 -3.480 5.675 1.00 0.00 O ATOM 0 HA GLU B 113 164.334 -7.210 2.333 1.00 0.00 H new ATOM 0 HB2 GLU B 113 163.307 -6.522 4.546 1.00 0.00 H new ATOM 0 HB3 GLU B 113 164.561 -5.445 3.964 1.00 0.00 H new ATOM 0 HG2 GLU B 113 163.144 -3.692 3.753 1.00 0.00 H new ATOM 0 HG3 GLU B 113 161.868 -4.672 3.059 1.00 0.00 H new ATOM 1342 N GLU B 114 162.322 -8.524 1.827 1.00 0.00 N ATOM 1343 CA GLU B 114 161.150 -9.370 1.630 1.00 0.00 C ATOM 1344 C GLU B 114 160.215 -8.769 0.586 1.00 0.00 C ATOM 1345 O GLU B 114 160.517 -7.735 -0.010 1.00 0.00 O ATOM 1346 CB GLU B 114 160.405 -9.560 2.952 1.00 0.00 C ATOM 1347 CG GLU B 114 161.281 -10.095 4.074 1.00 0.00 C ATOM 1348 CD GLU B 114 161.149 -11.595 4.252 1.00 0.00 C ATOM 1349 OE1 GLU B 114 160.062 -12.134 3.956 1.00 0.00 O ATOM 1350 OE2 GLU B 114 162.131 -12.230 4.687 1.00 0.00 O ATOM 0 H GLU B 114 163.211 -8.979 1.618 1.00 0.00 H new ATOM 0 HA GLU B 114 161.489 -10.341 1.270 1.00 0.00 H new ATOM 0 HB2 GLU B 114 159.979 -8.605 3.259 1.00 0.00 H new ATOM 0 HB3 GLU B 114 159.572 -10.245 2.795 1.00 0.00 H new ATOM 0 HG2 GLU B 114 162.322 -9.848 3.867 1.00 0.00 H new ATOM 0 HG3 GLU B 114 161.015 -9.597 5.007 1.00 0.00 H new ATOM 1357 N VAL B 115 159.077 -9.420 0.372 1.00 0.00 N ATOM 1358 CA VAL B 115 158.098 -8.947 -0.598 1.00 0.00 C ATOM 1359 C VAL B 115 157.361 -7.724 -0.064 1.00 0.00 C ATOM 1360 O VAL B 115 157.780 -7.125 0.926 1.00 0.00 O ATOM 1361 CB VAL B 115 157.071 -10.044 -0.979 1.00 0.00 C ATOM 1362 CG1 VAL B 115 157.182 -10.378 -2.457 1.00 0.00 C ATOM 1363 CG2 VAL B 115 157.238 -11.302 -0.137 1.00 0.00 C ATOM 0 H VAL B 115 158.810 -10.277 0.857 1.00 0.00 H new ATOM 0 HA VAL B 115 158.652 -8.678 -1.498 1.00 0.00 H new ATOM 0 HB VAL B 115 156.077 -9.646 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL B 115 156.455 -11.150 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL B 115 156.984 -9.484 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL B 115 158.187 -10.740 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL B 115 156.498 -12.043 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL B 115 158.239 -11.708 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL B 115 157.097 -11.057 0.916 1.00 0.00 H new ATOM 1373 N GLN B 116 156.271 -7.345 -0.727 1.00 0.00 N ATOM 1374 CA GLN B 116 155.508 -6.180 -0.305 1.00 0.00 C ATOM 1375 C GLN B 116 154.038 -6.257 -0.777 1.00 0.00 C ATOM 1376 O GLN B 116 153.759 -6.341 -1.976 1.00 0.00 O ATOM 1377 CB GLN B 116 156.193 -4.906 -0.834 1.00 0.00 C ATOM 1378 CG GLN B 116 156.880 -4.049 0.241 1.00 0.00 C ATOM 1379 CD GLN B 116 158.311 -3.635 -0.115 1.00 0.00 C ATOM 1380 OE1 GLN B 116 158.590 -2.463 -0.484 1.00 0.00 O ATOM 1381 NE2 GLN B 116 159.227 -4.591 -0.011 1.00 0.00 N ATOM 0 H GLN B 116 155.902 -7.823 -1.549 1.00 0.00 H new ATOM 0 HA GLN B 116 155.487 -6.153 0.784 1.00 0.00 H new ATOM 0 HB2 GLN B 116 156.935 -5.192 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN B 116 155.448 -4.295 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN B 116 156.285 -3.152 0.412 1.00 0.00 H new ATOM 0 HG3 GLN B 116 156.896 -4.604 1.179 1.00 0.00 H new ATOM 0 HE21 GLN B 116 158.956 -5.526 0.292 1.00 0.00 H new ATOM 0 HE22 GLN B 116 160.202 -4.390 -0.234 1.00 0.00 H new ATOM 1390 N ASP B 117 153.111 -6.223 0.194 1.00 0.00 N ATOM 1391 CA ASP B 117 151.660 -6.279 -0.065 1.00 0.00 C ATOM 1392 C ASP B 117 150.906 -5.702 1.144 1.00 0.00 C ATOM 1393 O ASP B 117 151.549 -5.152 2.033 1.00 0.00 O ATOM 1394 CB ASP B 117 151.226 -7.714 -0.359 1.00 0.00 C ATOM 1395 CG ASP B 117 151.832 -8.233 -1.651 1.00 0.00 C ATOM 1396 OD1 ASP B 117 152.982 -8.718 -1.616 1.00 0.00 O ATOM 1397 OD2 ASP B 117 151.161 -8.144 -2.702 1.00 0.00 O ATOM 0 H ASP B 117 153.346 -6.156 1.184 1.00 0.00 H new ATOM 0 HA ASP B 117 151.421 -5.679 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP B 117 151.523 -8.360 0.467 1.00 0.00 H new ATOM 0 HB3 ASP B 117 150.139 -7.759 -0.424 1.00 0.00 H new ATOM 1402 N THR B 118 149.556 -5.776 1.193 1.00 0.00 N ATOM 1403 CA THR B 118 148.845 -5.177 2.341 1.00 0.00 C ATOM 1404 C THR B 118 147.559 -5.904 2.761 1.00 0.00 C ATOM 1405 O THR B 118 146.807 -6.420 1.931 1.00 0.00 O ATOM 1406 CB THR B 118 148.497 -3.728 2.003 1.00 0.00 C ATOM 1407 OG1 THR B 118 149.654 -2.994 1.685 1.00 0.00 O ATOM 1408 CG2 THR B 118 147.767 -2.975 3.100 1.00 0.00 C ATOM 0 H THR B 118 148.965 -6.220 0.491 1.00 0.00 H new ATOM 0 HA THR B 118 149.527 -5.258 3.188 1.00 0.00 H new ATOM 0 HB THR B 118 147.822 -3.811 1.151 1.00 0.00 H new ATOM 0 HG1 THR B 118 149.442 -2.037 1.674 1.00 0.00 H new ATOM 0 HG21 THR B 118 147.563 -1.957 2.769 1.00 0.00 H new ATOM 0 HG22 THR B 118 146.827 -3.479 3.324 1.00 0.00 H new ATOM 0 HG23 THR B 118 148.386 -2.948 3.997 1.00 0.00 H new ATOM 1416 N ARG B 119 147.304 -5.872 4.077 1.00 0.00 N ATOM 1417 CA ARG B 119 146.104 -6.451 4.681 1.00 0.00 C ATOM 1418 C ARG B 119 145.629 -5.558 5.836 1.00 0.00 C ATOM 1419 O ARG B 119 146.281 -5.483 6.877 1.00 0.00 O ATOM 1420 CB ARG B 119 146.373 -7.869 5.191 1.00 0.00 C ATOM 1421 CG ARG B 119 145.562 -8.935 4.473 1.00 0.00 C ATOM 1422 CD ARG B 119 144.060 -8.713 4.627 1.00 0.00 C ATOM 1423 NE ARG B 119 143.585 -9.042 5.972 1.00 0.00 N ATOM 1424 CZ ARG B 119 142.409 -9.619 6.232 1.00 0.00 C ATOM 1425 NH1 ARG B 119 141.561 -9.907 5.250 1.00 0.00 N ATOM 1426 NH2 ARG B 119 142.068 -9.888 7.484 1.00 0.00 N ATOM 0 H ARG B 119 147.932 -5.439 4.754 1.00 0.00 H new ATOM 0 HA ARG B 119 145.326 -6.509 3.919 1.00 0.00 H new ATOM 0 HB2 ARG B 119 147.434 -8.092 5.077 1.00 0.00 H new ATOM 0 HB3 ARG B 119 146.151 -7.911 6.257 1.00 0.00 H new ATOM 0 HG2 ARG B 119 145.821 -8.936 3.414 1.00 0.00 H new ATOM 0 HG3 ARG B 119 145.825 -9.917 4.866 1.00 0.00 H new ATOM 0 HD2 ARG B 119 143.824 -7.672 4.405 1.00 0.00 H new ATOM 0 HD3 ARG B 119 143.528 -9.323 3.897 1.00 0.00 H new ATOM 0 HE ARG B 119 144.191 -8.816 6.761 1.00 0.00 H new ATOM 0 HH11 ARG B 119 141.805 -9.687 4.284 1.00 0.00 H new ATOM 0 HH12 ARG B 119 140.666 -10.348 5.462 1.00 0.00 H new ATOM 0 HH21 ARG B 119 142.703 -9.654 8.247 1.00 0.00 H new ATOM 0 HH22 ARG B 119 141.170 -10.329 7.685 1.00 0.00 H new ATOM 1440 N LEU B 120 144.501 -4.872 5.640 1.00 0.00 N ATOM 1441 CA LEU B 120 143.957 -3.971 6.663 1.00 0.00 C ATOM 1442 C LEU B 120 142.672 -4.521 7.280 1.00 0.00 C ATOM 1443 O LEU B 120 142.036 -5.393 6.653 1.00 0.00 O ATOM 1444 CB LEU B 120 143.655 -2.591 6.073 1.00 0.00 C ATOM 1445 CG LEU B 120 144.733 -1.979 5.184 1.00 0.00 C ATOM 1446 CD1 LEU B 120 144.693 -2.581 3.790 1.00 0.00 C ATOM 1447 CD2 LEU B 120 144.532 -0.477 5.110 1.00 0.00 C ATOM 1448 OXT LEU B 120 142.294 -4.044 8.377 1.00 0.00 O ATOM 0 H LEU B 120 143.946 -4.922 4.785 1.00 0.00 H new ATOM 0 HA LEU B 120 144.719 -3.888 7.438 1.00 0.00 H new ATOM 0 HB2 LEU B 120 142.735 -2.662 5.493 1.00 0.00 H new ATOM 0 HB3 LEU B 120 143.461 -1.903 6.896 1.00 0.00 H new ATOM 0 HG LEU B 120 145.709 -2.196 5.617 1.00 0.00 H new ATOM 0 HD11 LEU B 120 145.471 -2.128 3.176 1.00 0.00 H new ATOM 0 HD12 LEU B 120 144.860 -3.656 3.853 1.00 0.00 H new ATOM 0 HD13 LEU B 120 143.719 -2.391 3.340 1.00 0.00 H new ATOM 0 HD21 LEU B 120 145.301 -0.038 4.475 1.00 0.00 H new ATOM 0 HD22 LEU B 120 143.549 -0.262 4.691 1.00 0.00 H new ATOM 0 HD23 LEU B 120 144.601 -0.051 6.111 1.00 0.00 H new TER 1460 LEU B 120