USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 800 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 43 ASN : amide:sc= -8.1! C(o=-8.1!,f=-11!) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.0219 K(o=-8.1,f=-11!) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.842 K(o=-1.5,f=-9.6!) USER MOD Set 2.2: A 39 CYS SG : rot -73:sc= -0.702 USER MOD Set 3.1: A 33 HIS : no HE2:sc= -3.69! C(o=-8.5!,f=-13!) USER MOD Set 3.2: A 91 GLN : amide:sc= -3.8! C(o=-8.5!,f=-9!) USER MOD Set 3.3: A 92 GLN :FLIP amide:sc= -1.06 X(o=-9,f=-8.5) USER MOD Set 4.1: A 14 MET CE :methyl -178:sc= -0.457 (180deg=0) USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.584 K(o=-2.8,f=-14!) USER MOD Set 4.3: A 21 GLN :FLIP amide:sc= -1.74 F(o=-5.1!,f=-2.8) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -3.12! C(o=-3.1!,f=-6.1!) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= 1.31 (180deg=0.331) USER MOD Single : A 25 SER OG : rot 81:sc= 0.383 USER MOD Single : A 26 ASN :FLIP amide:sc= -2.36 F(o=-4.1!,f=-2.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 38 GLN : amide:sc= -0.3 K(o=-0.3,f=-0.95) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 99:sc= 1.23 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 59 CYS SG : rot -18:sc= -0.866 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 14:sc= -0.189 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -2.08 (180deg=-3.36!) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -2.03! (180deg=-3.39!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0155 F(o=-1.4!,f=-0.016) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.18) USER MOD Single : A 83 SER OG : rot -23:sc= -0.236! USER MOD Single : A 88 TYR OH : rot -29:sc= -1.17 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -0:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -20.141 5.286 5.907 1.00 9.03 N ATOM 2 CA GLY A 12 -20.699 5.535 4.558 1.00 8.58 C ATOM 3 C GLY A 12 -19.645 6.025 3.589 1.00 7.72 C ATOM 4 O GLY A 12 -18.592 6.516 4.004 1.00 7.84 O ATOM 0 HA2 GLY A 12 -21.144 4.617 4.175 1.00 8.58 H new ATOM 0 HA3 GLY A 12 -21.499 6.273 4.627 1.00 8.58 H new ATOM 10 N ALA A 13 -19.930 5.881 2.296 1.00 7.10 N ATOM 11 CA ALA A 13 -19.006 6.274 1.233 1.00 6.53 C ATOM 12 C ALA A 13 -17.680 5.527 1.348 1.00 5.64 C ATOM 13 O ALA A 13 -16.625 6.053 0.982 1.00 5.46 O ATOM 14 CB ALA A 13 -18.782 7.781 1.240 1.00 6.80 C ATOM 0 H ALA A 13 -20.808 5.489 1.956 1.00 7.10 H new ATOM 0 HA ALA A 13 -19.459 6.001 0.280 1.00 6.53 H new ATOM 0 HB1 ALA A 13 -18.091 8.050 0.441 1.00 6.80 H new ATOM 0 HB2 ALA A 13 -19.733 8.291 1.085 1.00 6.80 H new ATOM 0 HB3 ALA A 13 -18.361 8.082 2.200 1.00 6.80 H new ATOM 20 N MET A 14 -17.752 4.302 1.875 1.00 5.41 N ATOM 21 CA MET A 14 -16.587 3.423 2.022 1.00 4.79 C ATOM 22 C MET A 14 -15.571 4.004 3.016 1.00 3.99 C ATOM 23 O MET A 14 -14.417 3.570 3.067 1.00 4.17 O ATOM 24 CB MET A 14 -15.936 3.178 0.653 1.00 5.31 C ATOM 25 CG MET A 14 -15.028 1.961 0.604 1.00 5.50 C ATOM 26 SD MET A 14 -15.902 0.429 0.983 1.00 6.58 S ATOM 27 CE MET A 14 -14.590 -0.770 0.759 1.00 7.20 C ATOM 0 H MET A 14 -18.622 3.890 2.213 1.00 5.41 H new ATOM 0 HA MET A 14 -16.927 2.469 2.424 1.00 4.79 H new ATOM 0 HB2 MET A 14 -16.721 3.062 -0.094 1.00 5.31 H new ATOM 0 HB3 MET A 14 -15.359 4.060 0.375 1.00 5.31 H new ATOM 0 HG2 MET A 14 -14.582 1.885 -0.388 1.00 5.50 H new ATOM 0 HG3 MET A 14 -14.210 2.093 1.312 1.00 5.50 H new ATOM 0 HE1 MET A 14 -14.982 -1.774 0.923 1.00 7.20 H new ATOM 0 HE2 MET A 14 -14.198 -0.695 -0.255 1.00 7.20 H new ATOM 0 HE3 MET A 14 -13.790 -0.572 1.473 1.00 7.20 H new ATOM 37 N GLU A 15 -16.031 4.968 3.815 1.00 3.65 N ATOM 38 CA GLU A 15 -15.212 5.651 4.821 1.00 3.40 C ATOM 39 C GLU A 15 -13.862 6.108 4.262 1.00 2.63 C ATOM 40 O GLU A 15 -13.776 7.136 3.585 1.00 2.90 O ATOM 41 CB GLU A 15 -15.001 4.779 6.068 1.00 4.21 C ATOM 42 CG GLU A 15 -16.276 4.484 6.848 1.00 5.16 C ATOM 43 CD GLU A 15 -17.116 3.386 6.231 1.00 5.80 C ATOM 44 OE1 GLU A 15 -16.822 2.197 6.466 1.00 6.20 O ATOM 45 OE2 GLU A 15 -18.068 3.711 5.492 1.00 6.21 O ATOM 0 H GLU A 15 -16.994 5.301 3.782 1.00 3.65 H new ATOM 0 HA GLU A 15 -15.770 6.541 5.111 1.00 3.40 H new ATOM 0 HB2 GLU A 15 -14.548 3.835 5.765 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -14.291 5.276 6.729 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -16.013 4.201 7.867 1.00 5.16 H new ATOM 0 HG3 GLU A 15 -16.872 5.394 6.914 1.00 5.16 H new ATOM 52 N SER A 16 -12.818 5.335 4.537 1.00 2.29 N ATOM 53 CA SER A 16 -11.476 5.660 4.081 1.00 2.23 C ATOM 54 C SER A 16 -10.829 4.443 3.427 1.00 1.84 C ATOM 55 O SER A 16 -9.926 3.832 3.994 1.00 2.63 O ATOM 56 CB SER A 16 -10.611 6.125 5.257 1.00 3.27 C ATOM 57 OG SER A 16 -11.242 7.162 5.989 1.00 4.00 O ATOM 0 H SER A 16 -12.879 4.472 5.078 1.00 2.29 H new ATOM 0 HA SER A 16 -11.550 6.465 3.349 1.00 2.23 H new ATOM 0 HB2 SER A 16 -10.410 5.282 5.918 1.00 3.27 H new ATOM 0 HB3 SER A 16 -9.648 6.475 4.885 1.00 3.27 H new ATOM 0 HG SER A 16 -10.665 7.435 6.733 1.00 4.00 H new ATOM 63 N HIS A 17 -11.307 4.069 2.248 1.00 1.21 N ATOM 64 CA HIS A 17 -10.739 2.926 1.533 1.00 1.12 C ATOM 65 C HIS A 17 -10.422 3.277 0.073 1.00 0.95 C ATOM 66 O HIS A 17 -10.935 2.634 -0.841 1.00 1.29 O ATOM 67 CB HIS A 17 -11.697 1.725 1.583 1.00 1.94 C ATOM 68 CG HIS A 17 -11.769 1.032 2.917 1.00 2.42 C ATOM 69 ND1 HIS A 17 -11.544 -0.317 3.068 1.00 3.33 N ATOM 70 CD2 HIS A 17 -12.053 1.501 4.157 1.00 2.69 C ATOM 71 CE1 HIS A 17 -11.682 -0.646 4.338 1.00 3.81 C ATOM 72 NE2 HIS A 17 -11.991 0.438 5.019 1.00 3.44 N ATOM 0 H HIS A 17 -12.078 4.532 1.768 1.00 1.21 H new ATOM 0 HA HIS A 17 -9.806 2.661 2.031 1.00 1.12 H new ATOM 0 HB2 HIS A 17 -12.697 2.064 1.311 1.00 1.94 H new ATOM 0 HB3 HIS A 17 -11.389 1.001 0.829 1.00 1.94 H new ATOM 0 HD2 HIS A 17 -12.285 2.523 4.417 1.00 2.69 H new ATOM 0 HE1 HIS A 17 -11.562 -1.637 4.750 1.00 3.81 H new ATOM 0 HE2 HIS A 17 -12.157 0.479 6.025 1.00 3.44 H new ATOM 81 N PRO A 18 -9.577 4.300 -0.174 1.00 0.69 N ATOM 82 CA PRO A 18 -9.215 4.725 -1.520 1.00 0.74 C ATOM 83 C PRO A 18 -7.981 4.007 -2.076 1.00 0.62 C ATOM 84 O PRO A 18 -8.097 3.092 -2.897 1.00 0.57 O ATOM 85 CB PRO A 18 -8.928 6.226 -1.350 1.00 0.95 C ATOM 86 CG PRO A 18 -8.905 6.490 0.130 1.00 1.15 C ATOM 87 CD PRO A 18 -8.923 5.153 0.818 1.00 0.84 C ATOM 0 HA PRO A 18 -10.006 4.495 -2.234 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -7.975 6.493 -1.807 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -9.695 6.826 -1.839 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -8.014 7.054 0.407 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -9.766 7.088 0.428 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -7.918 4.804 1.055 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -9.478 5.186 1.755 1.00 0.84 H new ATOM 95 N HIS A 19 -6.797 4.401 -1.608 1.00 0.68 N ATOM 96 CA HIS A 19 -5.546 3.876 -2.152 1.00 0.70 C ATOM 97 C HIS A 19 -5.349 2.434 -1.719 1.00 0.61 C ATOM 98 O HIS A 19 -4.898 1.599 -2.499 1.00 0.63 O ATOM 99 CB HIS A 19 -4.333 4.687 -1.686 1.00 0.95 C ATOM 100 CG HIS A 19 -4.389 6.157 -1.970 1.00 0.54 C ATOM 101 ND1 HIS A 19 -4.723 7.098 -1.018 1.00 1.09 N ATOM 102 CD2 HIS A 19 -4.087 6.852 -3.087 1.00 1.06 C ATOM 103 CE1 HIS A 19 -4.622 8.303 -1.542 1.00 1.26 C ATOM 104 NE2 HIS A 19 -4.235 8.186 -2.798 1.00 1.23 N ATOM 0 H HIS A 19 -6.678 5.080 -0.856 1.00 0.68 H new ATOM 0 HA HIS A 19 -5.620 3.945 -3.237 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.216 4.547 -0.611 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -3.441 4.277 -2.160 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -5.004 6.893 -0.059 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -3.784 6.435 -4.036 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -4.823 9.232 -1.029 1.00 1.26 H new ATOM 113 N ILE A 20 -5.710 2.144 -0.473 1.00 0.60 N ATOM 114 CA ILE A 20 -5.496 0.819 0.097 1.00 0.61 C ATOM 115 C ILE A 20 -6.160 -0.259 -0.741 1.00 0.55 C ATOM 116 O ILE A 20 -5.602 -1.340 -0.941 1.00 0.62 O ATOM 117 CB ILE A 20 -6.018 0.722 1.547 1.00 0.65 C ATOM 118 CG1 ILE A 20 -7.466 1.201 1.662 1.00 0.93 C ATOM 119 CG2 ILE A 20 -5.133 1.524 2.479 1.00 1.21 C ATOM 120 CD1 ILE A 20 -7.998 1.159 3.078 1.00 0.90 C ATOM 0 H ILE A 20 -6.152 2.809 0.161 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.418 0.660 0.101 1.00 0.61 H new ATOM 0 HB ILE A 20 -5.990 -0.329 1.836 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -7.535 2.221 1.285 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -8.098 0.582 1.025 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -5.513 1.447 3.498 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -4.116 1.134 2.440 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -5.133 2.569 2.170 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -9.029 1.511 3.090 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -7.960 0.135 3.451 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -7.388 1.800 3.715 1.00 0.90 H new ATOM 132 N GLN A 21 -7.355 0.036 -1.224 1.00 0.49 N ATOM 133 CA GLN A 21 -8.068 -0.885 -2.079 1.00 0.50 C ATOM 134 C GLN A 21 -7.365 -1.028 -3.426 1.00 0.50 C ATOM 135 O GLN A 21 -7.179 -2.144 -3.908 1.00 0.57 O ATOM 136 CB GLN A 21 -9.520 -0.441 -2.244 1.00 0.56 C ATOM 137 CG GLN A 21 -10.540 -1.349 -1.553 1.00 0.93 C ATOM 138 CD GLN A 21 -10.371 -1.483 -0.035 1.00 1.00 C ATOM 139 OE1 GLN A 21 -9.139 -1.532 0.460 1.00 1.72 O flip ATOM 140 NE2 GLN A 21 -11.355 -1.588 0.691 1.00 0.82 N flip ATOM 0 H GLN A 21 -7.849 0.908 -1.036 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.072 -1.868 -1.609 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.625 0.570 -1.850 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -9.755 -0.394 -3.307 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -11.540 -0.968 -1.759 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -10.479 -2.342 -1.998 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -12.292 -1.547 0.289 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -11.236 -1.716 1.696 1.00 0.82 H new ATOM 149 N LEU A 22 -6.940 0.098 -4.010 1.00 0.51 N ATOM 150 CA LEU A 22 -6.214 0.068 -5.272 1.00 0.54 C ATOM 151 C LEU A 22 -4.966 -0.805 -5.171 1.00 0.50 C ATOM 152 O LEU A 22 -4.789 -1.737 -5.959 1.00 0.49 O ATOM 153 CB LEU A 22 -5.810 1.493 -5.684 1.00 0.65 C ATOM 154 CG LEU A 22 -4.518 1.605 -6.509 1.00 1.06 C ATOM 155 CD1 LEU A 22 -4.732 1.100 -7.927 1.00 0.75 C ATOM 156 CD2 LEU A 22 -4.006 3.037 -6.520 1.00 1.93 C ATOM 0 H LEU A 22 -7.088 1.032 -3.628 1.00 0.51 H new ATOM 0 HA LEU A 22 -6.875 -0.358 -6.027 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -6.626 1.931 -6.259 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -5.697 2.094 -4.782 1.00 0.65 H new ATOM 0 HG LEU A 22 -3.763 0.977 -6.037 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -3.803 1.190 -8.489 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -5.039 0.054 -7.898 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -5.508 1.693 -8.411 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -3.091 3.092 -7.110 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -4.760 3.690 -6.959 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -3.799 3.357 -5.499 1.00 1.93 H new ATOM 168 N LEU A 23 -4.141 -0.542 -4.162 1.00 0.51 N ATOM 169 CA LEU A 23 -2.852 -1.200 -4.033 1.00 0.51 C ATOM 170 C LEU A 23 -2.977 -2.714 -3.926 1.00 0.46 C ATOM 171 O LEU A 23 -2.181 -3.437 -4.524 1.00 0.48 O ATOM 172 CB LEU A 23 -2.080 -0.655 -2.829 1.00 0.61 C ATOM 173 CG LEU A 23 -1.206 0.570 -3.114 1.00 0.73 C ATOM 174 CD1 LEU A 23 -2.044 1.808 -3.376 1.00 1.47 C ATOM 175 CD2 LEU A 23 -0.231 0.808 -1.971 1.00 1.03 C ATOM 0 H LEU A 23 -4.347 0.127 -3.420 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.299 -0.980 -4.946 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -2.794 -0.398 -2.046 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.446 -1.449 -2.434 1.00 0.61 H new ATOM 0 HG LEU A 23 -0.635 0.366 -4.020 1.00 0.73 H new ATOM 0 HD11 LEU A 23 -1.388 2.656 -3.574 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -2.686 1.636 -4.240 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -2.660 2.022 -2.503 1.00 1.47 H new ATOM 0 HD21 LEU A 23 0.381 1.682 -2.191 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -0.786 0.977 -1.048 1.00 1.03 H new ATOM 0 HD23 LEU A 23 0.411 -0.065 -1.853 1.00 1.03 H new ATOM 187 N LYS A 24 -3.942 -3.201 -3.153 1.00 0.45 N ATOM 188 CA LYS A 24 -4.111 -4.642 -2.999 1.00 0.46 C ATOM 189 C LYS A 24 -4.617 -5.297 -4.284 1.00 0.44 C ATOM 190 O LYS A 24 -4.289 -6.448 -4.559 1.00 0.49 O ATOM 191 CB LYS A 24 -5.009 -5.015 -1.816 1.00 0.51 C ATOM 192 CG LYS A 24 -6.494 -4.788 -2.030 1.00 0.53 C ATOM 193 CD LYS A 24 -7.317 -6.031 -1.687 1.00 1.12 C ATOM 194 CE LYS A 24 -7.335 -7.069 -2.808 1.00 1.24 C ATOM 195 NZ LYS A 24 -6.077 -7.870 -2.896 1.00 1.92 N ATOM 0 H LYS A 24 -4.608 -2.631 -2.632 1.00 0.45 H new ATOM 0 HA LYS A 24 -3.117 -5.033 -2.784 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.850 -6.067 -1.578 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.692 -4.440 -0.946 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.826 -3.952 -1.414 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.673 -4.510 -3.069 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -6.913 -6.488 -0.784 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -8.340 -5.731 -1.462 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -8.177 -7.744 -2.654 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -7.502 -6.563 -3.759 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -6.283 -8.794 -3.328 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -5.382 -7.362 -3.480 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -5.689 -8.013 -1.942 1.00 1.92 H new ATOM 209 N SER A 25 -5.444 -4.601 -5.047 1.00 0.43 N ATOM 210 CA SER A 25 -5.986 -5.182 -6.268 1.00 0.50 C ATOM 211 C SER A 25 -4.916 -5.290 -7.354 1.00 0.52 C ATOM 212 O SER A 25 -4.805 -6.315 -8.023 1.00 0.74 O ATOM 213 CB SER A 25 -7.182 -4.365 -6.754 1.00 0.55 C ATOM 214 OG SER A 25 -8.189 -4.318 -5.760 1.00 1.00 O ATOM 0 H SER A 25 -5.752 -3.649 -4.849 1.00 0.43 H new ATOM 0 HA SER A 25 -6.325 -6.194 -6.045 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.861 -3.353 -7.003 1.00 0.55 H new ATOM 0 HB3 SER A 25 -7.584 -4.806 -7.666 1.00 0.55 H new ATOM 0 HG SER A 25 -7.960 -3.636 -5.094 1.00 1.00 H new ATOM 220 N ASN A 26 -4.106 -4.248 -7.510 1.00 0.41 N ATOM 221 CA ASN A 26 -3.005 -4.299 -8.470 1.00 0.47 C ATOM 222 C ASN A 26 -1.686 -4.576 -7.747 1.00 0.45 C ATOM 223 O ASN A 26 -0.644 -3.985 -8.041 1.00 0.46 O ATOM 224 CB ASN A 26 -2.944 -3.023 -9.341 1.00 0.55 C ATOM 225 CG ASN A 26 -2.386 -1.772 -8.663 1.00 0.65 C ATOM 226 OD1 ASN A 26 -2.526 -1.651 -7.353 1.00 1.50 O flip ATOM 227 ND2 ASN A 26 -1.830 -0.908 -9.333 1.00 0.74 N flip ATOM 0 H ASN A 26 -4.187 -3.371 -6.995 1.00 0.41 H new ATOM 0 HA ASN A 26 -3.186 -5.125 -9.158 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -2.336 -3.237 -10.220 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -3.951 -2.801 -9.695 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -1.736 -1.027 -10.342 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -1.462 -0.071 -8.881 1.00 0.74 H new ATOM 234 N ARG A 27 -1.751 -5.507 -6.796 1.00 0.46 N ATOM 235 CA ARG A 27 -0.587 -5.904 -6.009 1.00 0.50 C ATOM 236 C ARG A 27 0.537 -6.407 -6.895 1.00 0.48 C ATOM 237 O ARG A 27 1.687 -6.005 -6.731 1.00 0.54 O ATOM 238 CB ARG A 27 -0.961 -6.989 -4.996 1.00 0.57 C ATOM 239 CG ARG A 27 -1.508 -6.459 -3.681 1.00 1.30 C ATOM 240 CD ARG A 27 -0.442 -5.798 -2.826 1.00 2.15 C ATOM 241 NE ARG A 27 0.146 -4.616 -3.446 1.00 3.26 N ATOM 242 CZ ARG A 27 1.450 -4.357 -3.429 1.00 4.21 C ATOM 243 NH1 ARG A 27 2.283 -5.227 -2.868 1.00 4.46 N ATOM 244 NH2 ARG A 27 1.918 -3.245 -3.983 1.00 5.24 N ATOM 0 H ARG A 27 -2.607 -6.004 -6.551 1.00 0.46 H new ATOM 0 HA ARG A 27 -0.240 -5.018 -5.477 1.00 0.50 H new ATOM 0 HB2 ARG A 27 -1.704 -7.648 -5.445 1.00 0.57 H new ATOM 0 HB3 ARG A 27 -0.079 -7.596 -4.790 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -2.301 -5.740 -3.886 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -1.958 -7.280 -3.123 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -0.878 -5.518 -1.867 1.00 2.15 H new ATOM 0 HD3 ARG A 27 0.347 -6.521 -2.618 1.00 2.15 H new ATOM 0 HE ARG A 27 -0.474 -3.956 -3.916 1.00 3.26 H new ATOM 0 HH11 ARG A 27 1.921 -6.086 -2.455 1.00 4.46 H new ATOM 0 HH12 ARG A 27 3.285 -5.036 -2.851 1.00 4.46 H new ATOM 0 HH21 ARG A 27 1.277 -2.586 -4.424 1.00 5.24 H new ATOM 0 HH22 ARG A 27 2.919 -3.050 -3.968 1.00 5.24 H new ATOM 258 N GLU A 28 0.190 -7.267 -7.842 1.00 0.51 N ATOM 259 CA GLU A 28 1.172 -7.883 -8.732 1.00 0.59 C ATOM 260 C GLU A 28 1.873 -6.818 -9.566 1.00 0.55 C ATOM 261 O GLU A 28 3.065 -6.916 -9.861 1.00 0.60 O ATOM 262 CB GLU A 28 0.485 -8.884 -9.662 1.00 0.74 C ATOM 263 CG GLU A 28 -0.335 -9.947 -8.942 1.00 1.08 C ATOM 264 CD GLU A 28 -1.142 -10.800 -9.898 1.00 1.55 C ATOM 265 OE1 GLU A 28 -1.594 -10.272 -10.933 1.00 1.93 O ATOM 266 OE2 GLU A 28 -1.314 -12.008 -9.627 1.00 2.17 O ATOM 0 H GLU A 28 -0.772 -7.558 -8.017 1.00 0.51 H new ATOM 0 HA GLU A 28 1.910 -8.403 -8.122 1.00 0.59 H new ATOM 0 HB2 GLU A 28 -0.167 -8.339 -10.345 1.00 0.74 H new ATOM 0 HB3 GLU A 28 1.243 -9.377 -10.270 1.00 0.74 H new ATOM 0 HG2 GLU A 28 0.332 -10.586 -8.364 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -1.008 -9.464 -8.233 1.00 1.08 H new ATOM 273 N LEU A 29 1.113 -5.796 -9.922 1.00 0.51 N ATOM 274 CA LEU A 29 1.608 -4.718 -10.757 1.00 0.52 C ATOM 275 C LEU A 29 2.642 -3.888 -9.993 1.00 0.49 C ATOM 276 O LEU A 29 3.743 -3.643 -10.485 1.00 0.50 O ATOM 277 CB LEU A 29 0.413 -3.860 -11.205 1.00 0.54 C ATOM 278 CG LEU A 29 0.591 -3.070 -12.505 1.00 0.62 C ATOM 279 CD1 LEU A 29 -0.765 -2.750 -13.111 1.00 1.13 C ATOM 280 CD2 LEU A 29 1.355 -1.785 -12.257 1.00 0.57 C ATOM 0 H LEU A 29 0.138 -5.692 -9.640 1.00 0.51 H new ATOM 0 HA LEU A 29 2.106 -5.120 -11.639 1.00 0.52 H new ATOM 0 HB2 LEU A 29 -0.453 -4.512 -11.318 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.180 -3.156 -10.406 1.00 0.54 H new ATOM 0 HG LEU A 29 1.163 -3.685 -13.200 1.00 0.62 H new ATOM 0 HD11 LEU A 29 -0.627 -2.188 -14.035 1.00 1.13 H new ATOM 0 HD12 LEU A 29 -1.295 -3.678 -13.326 1.00 1.13 H new ATOM 0 HD13 LEU A 29 -1.347 -2.154 -12.407 1.00 1.13 H new ATOM 0 HD21 LEU A 29 1.468 -1.242 -13.195 1.00 0.57 H new ATOM 0 HD22 LEU A 29 0.807 -1.168 -11.545 1.00 0.57 H new ATOM 0 HD23 LEU A 29 2.340 -2.019 -11.852 1.00 0.57 H new ATOM 292 N LEU A 30 2.290 -3.457 -8.788 1.00 0.50 N ATOM 293 CA LEU A 30 3.206 -2.670 -7.963 1.00 0.54 C ATOM 294 C LEU A 30 4.360 -3.496 -7.390 1.00 0.48 C ATOM 295 O LEU A 30 5.472 -2.990 -7.276 1.00 0.50 O ATOM 296 CB LEU A 30 2.478 -1.966 -6.821 1.00 0.68 C ATOM 297 CG LEU A 30 1.868 -0.595 -7.145 1.00 0.84 C ATOM 298 CD1 LEU A 30 0.997 -0.657 -8.385 1.00 0.91 C ATOM 299 CD2 LEU A 30 1.059 -0.093 -5.957 1.00 1.04 C ATOM 0 H LEU A 30 1.382 -3.637 -8.359 1.00 0.50 H new ATOM 0 HA LEU A 30 3.628 -1.925 -8.638 1.00 0.54 H new ATOM 0 HB2 LEU A 30 1.681 -2.620 -6.469 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.177 -1.842 -5.994 1.00 0.68 H new ATOM 0 HG LEU A 30 2.683 0.100 -7.345 1.00 0.84 H new ATOM 0 HD11 LEU A 30 0.580 0.330 -8.587 1.00 0.91 H new ATOM 0 HD12 LEU A 30 1.598 -0.978 -9.236 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.186 -1.367 -8.225 1.00 0.91 H new ATOM 0 HD21 LEU A 30 0.629 0.880 -6.195 1.00 1.04 H new ATOM 0 HD22 LEU A 30 0.258 -0.799 -5.738 1.00 1.04 H new ATOM 0 HD23 LEU A 30 1.709 0.000 -5.087 1.00 1.04 H new ATOM 311 N VAL A 31 4.099 -4.744 -6.997 1.00 0.45 N ATOM 312 CA VAL A 31 5.113 -5.548 -6.308 1.00 0.45 C ATOM 313 C VAL A 31 6.363 -5.726 -7.183 1.00 0.46 C ATOM 314 O VAL A 31 7.491 -5.609 -6.709 1.00 0.54 O ATOM 315 CB VAL A 31 4.572 -6.937 -5.861 1.00 0.45 C ATOM 316 CG1 VAL A 31 4.266 -7.840 -7.046 1.00 1.20 C ATOM 317 CG2 VAL A 31 5.552 -7.611 -4.912 1.00 1.29 C ATOM 0 H VAL A 31 3.206 -5.216 -7.141 1.00 0.45 H new ATOM 0 HA VAL A 31 5.383 -4.997 -5.407 1.00 0.45 H new ATOM 0 HB VAL A 31 3.633 -6.766 -5.335 1.00 0.45 H new ATOM 0 HG11 VAL A 31 3.891 -8.798 -6.686 1.00 1.20 H new ATOM 0 HG12 VAL A 31 3.512 -7.369 -7.677 1.00 1.20 H new ATOM 0 HG13 VAL A 31 5.175 -8.001 -7.625 1.00 1.20 H new ATOM 0 HG21 VAL A 31 5.157 -8.581 -4.610 1.00 1.29 H new ATOM 0 HG22 VAL A 31 6.509 -7.749 -5.415 1.00 1.29 H new ATOM 0 HG23 VAL A 31 5.693 -6.986 -4.030 1.00 1.29 H new ATOM 327 N THR A 32 6.141 -5.972 -8.470 1.00 0.45 N ATOM 328 CA THR A 32 7.220 -6.186 -9.424 1.00 0.51 C ATOM 329 C THR A 32 7.994 -4.890 -9.705 1.00 0.49 C ATOM 330 O THR A 32 9.172 -4.928 -10.071 1.00 0.55 O ATOM 331 CB THR A 32 6.686 -6.797 -10.744 1.00 0.58 C ATOM 332 OG1 THR A 32 7.774 -7.278 -11.547 1.00 0.71 O ATOM 333 CG2 THR A 32 5.881 -5.782 -11.540 1.00 0.59 C ATOM 0 H THR A 32 5.208 -6.028 -8.879 1.00 0.45 H new ATOM 0 HA THR A 32 7.912 -6.896 -8.972 1.00 0.51 H new ATOM 0 HB THR A 32 6.031 -7.627 -10.480 1.00 0.58 H new ATOM 0 HG1 THR A 32 7.423 -7.663 -12.377 1.00 0.71 H new ATOM 0 HG21 THR A 32 5.521 -6.243 -12.460 1.00 0.59 H new ATOM 0 HG22 THR A 32 5.031 -5.446 -10.946 1.00 0.59 H new ATOM 0 HG23 THR A 32 6.513 -4.928 -11.785 1.00 0.59 H new ATOM 341 N HIS A 33 7.305 -3.758 -9.529 1.00 0.43 N ATOM 342 CA HIS A 33 7.807 -2.429 -9.904 1.00 0.45 C ATOM 343 C HIS A 33 9.267 -2.182 -9.520 1.00 0.51 C ATOM 344 O HIS A 33 10.029 -1.651 -10.326 1.00 0.68 O ATOM 345 CB HIS A 33 6.905 -1.346 -9.302 1.00 0.47 C ATOM 346 CG HIS A 33 5.757 -0.984 -10.191 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.657 -0.274 -9.758 1.00 1.27 N ATOM 348 CD2 HIS A 33 5.558 -1.211 -11.509 1.00 1.18 C ATOM 349 CE1 HIS A 33 3.834 -0.082 -10.772 1.00 1.03 C ATOM 350 NE2 HIS A 33 4.361 -0.639 -11.844 1.00 0.85 N ATOM 0 H HIS A 33 6.372 -3.737 -9.117 1.00 0.43 H new ATOM 0 HA HIS A 33 7.778 -2.385 -10.993 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.520 -1.693 -8.343 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.499 -0.454 -9.103 1.00 0.47 H new ATOM 0 HD1 HIS A 33 4.503 0.052 -8.804 1.00 1.27 H new ATOM 0 HD2 HIS A 33 6.221 -1.745 -12.174 1.00 1.18 H new ATOM 0 HE1 HIS A 33 2.890 0.442 -10.730 1.00 1.03 H new ATOM 359 N ILE A 34 9.665 -2.552 -8.305 1.00 0.51 N ATOM 360 CA ILE A 34 11.054 -2.362 -7.891 1.00 0.62 C ATOM 361 C ILE A 34 11.353 -3.048 -6.553 1.00 0.55 C ATOM 362 O ILE A 34 12.053 -4.059 -6.511 1.00 0.63 O ATOM 363 CB ILE A 34 11.437 -0.851 -7.836 1.00 0.85 C ATOM 364 CG1 ILE A 34 12.883 -0.662 -7.365 1.00 1.71 C ATOM 365 CG2 ILE A 34 10.479 -0.058 -6.959 1.00 1.51 C ATOM 366 CD1 ILE A 34 13.909 -1.212 -8.329 1.00 2.62 C ATOM 0 H ILE A 34 9.060 -2.977 -7.602 1.00 0.51 H new ATOM 0 HA ILE A 34 11.674 -2.838 -8.651 1.00 0.62 H new ATOM 0 HB ILE A 34 11.355 -0.463 -8.851 1.00 0.85 H new ATOM 0 HG12 ILE A 34 13.071 0.401 -7.214 1.00 1.71 H new ATOM 0 HG13 ILE A 34 13.008 -1.148 -6.398 1.00 1.71 H new ATOM 0 HG21 ILE A 34 10.780 0.990 -6.947 1.00 1.51 H new ATOM 0 HG22 ILE A 34 9.468 -0.141 -7.358 1.00 1.51 H new ATOM 0 HG23 ILE A 34 10.502 -0.454 -5.944 1.00 1.51 H new ATOM 0 HD11 ILE A 34 14.910 -1.043 -7.931 1.00 2.62 H new ATOM 0 HD12 ILE A 34 13.747 -2.282 -8.462 1.00 2.62 H new ATOM 0 HD13 ILE A 34 13.811 -0.708 -9.291 1.00 2.62 H new ATOM 378 N ARG A 35 10.814 -2.512 -5.468 1.00 0.67 N ATOM 379 CA ARG A 35 11.093 -3.037 -4.141 1.00 0.80 C ATOM 380 C ARG A 35 9.799 -3.407 -3.445 1.00 0.71 C ATOM 381 O ARG A 35 9.653 -4.514 -2.930 1.00 0.79 O ATOM 382 CB ARG A 35 11.844 -2.005 -3.292 1.00 1.03 C ATOM 383 CG ARG A 35 13.176 -1.559 -3.875 1.00 1.54 C ATOM 384 CD ARG A 35 14.206 -2.677 -3.853 1.00 1.54 C ATOM 385 NE ARG A 35 15.492 -2.241 -4.394 1.00 1.79 N ATOM 386 CZ ARG A 35 16.604 -2.113 -3.667 1.00 2.43 C ATOM 387 NH1 ARG A 35 16.589 -2.389 -2.367 1.00 2.85 N ATOM 388 NH2 ARG A 35 17.727 -1.707 -4.242 1.00 3.25 N ATOM 0 H ARG A 35 10.180 -1.713 -5.481 1.00 0.67 H new ATOM 0 HA ARG A 35 11.717 -3.924 -4.254 1.00 0.80 H new ATOM 0 HB2 ARG A 35 11.208 -1.130 -3.160 1.00 1.03 H new ATOM 0 HB3 ARG A 35 12.018 -2.425 -2.301 1.00 1.03 H new ATOM 0 HG2 ARG A 35 13.029 -1.221 -4.901 1.00 1.54 H new ATOM 0 HG3 ARG A 35 13.553 -0.707 -3.310 1.00 1.54 H new ATOM 0 HD2 ARG A 35 14.342 -3.026 -2.829 1.00 1.54 H new ATOM 0 HD3 ARG A 35 13.836 -3.523 -4.432 1.00 1.54 H new ATOM 0 HE ARG A 35 15.543 -2.021 -5.389 1.00 1.79 H new ATOM 0 HH11 ARG A 35 15.726 -2.700 -1.922 1.00 2.85 H new ATOM 0 HH12 ARG A 35 17.441 -2.290 -1.815 1.00 2.85 H new ATOM 0 HH21 ARG A 35 17.741 -1.493 -5.239 1.00 3.25 H new ATOM 0 HH22 ARG A 35 18.577 -1.609 -3.687 1.00 3.25 H new ATOM 402 N ASN A 36 8.873 -2.445 -3.427 1.00 0.62 N ATOM 403 CA ASN A 36 7.552 -2.601 -2.809 1.00 0.60 C ATOM 404 C ASN A 36 7.641 -2.658 -1.285 1.00 0.64 C ATOM 405 O ASN A 36 6.925 -1.930 -0.613 1.00 1.01 O ATOM 406 CB ASN A 36 6.816 -3.833 -3.351 1.00 0.69 C ATOM 407 CG ASN A 36 5.433 -4.009 -2.740 1.00 0.79 C ATOM 408 OD1 ASN A 36 4.946 -5.126 -2.602 1.00 1.26 O ATOM 409 ND2 ASN A 36 4.777 -2.911 -2.385 1.00 1.53 N ATOM 0 H ASN A 36 9.020 -1.526 -3.845 1.00 0.62 H new ATOM 0 HA ASN A 36 6.975 -1.716 -3.078 1.00 0.60 H new ATOM 0 HB2 ASN A 36 6.722 -3.747 -4.434 1.00 0.69 H new ATOM 0 HB3 ASN A 36 7.412 -4.724 -3.152 1.00 0.69 H new ATOM 0 HD21 ASN A 36 3.841 -2.983 -1.985 1.00 1.53 H new ATOM 0 HD22 ASN A 36 5.209 -1.996 -2.512 1.00 1.53 H new ATOM 416 N THR A 37 8.540 -3.492 -0.763 1.00 0.61 N ATOM 417 CA THR A 37 8.706 -3.711 0.682 1.00 0.65 C ATOM 418 C THR A 37 8.834 -2.397 1.475 1.00 0.54 C ATOM 419 O THR A 37 8.588 -2.360 2.681 1.00 0.46 O ATOM 420 CB THR A 37 9.939 -4.612 0.951 1.00 0.79 C ATOM 421 OG1 THR A 37 10.080 -4.870 2.352 1.00 1.15 O ATOM 422 CG2 THR A 37 11.215 -3.972 0.420 1.00 1.47 C ATOM 0 H THR A 37 9.182 -4.042 -1.333 1.00 0.61 H new ATOM 0 HA THR A 37 7.801 -4.209 1.030 1.00 0.65 H new ATOM 0 HB THR A 37 9.777 -5.554 0.427 1.00 0.79 H new ATOM 0 HG1 THR A 37 10.862 -5.441 2.502 1.00 1.15 H new ATOM 0 HG21 THR A 37 12.062 -4.627 0.623 1.00 1.47 H new ATOM 0 HG22 THR A 37 11.125 -3.818 -0.655 1.00 1.47 H new ATOM 0 HG23 THR A 37 11.372 -3.012 0.912 1.00 1.47 H new ATOM 430 N GLN A 38 9.201 -1.317 0.797 1.00 0.58 N ATOM 431 CA GLN A 38 9.267 -0.009 1.435 1.00 0.56 C ATOM 432 C GLN A 38 7.927 0.372 2.069 1.00 0.50 C ATOM 433 O GLN A 38 7.897 1.088 3.060 1.00 0.47 O ATOM 434 CB GLN A 38 9.710 1.060 0.435 1.00 0.68 C ATOM 435 CG GLN A 38 11.182 0.963 0.063 1.00 0.95 C ATOM 436 CD GLN A 38 12.099 1.152 1.261 1.00 1.16 C ATOM 437 OE1 GLN A 38 11.772 1.869 2.203 1.00 1.88 O ATOM 438 NE2 GLN A 38 13.260 0.524 1.231 1.00 1.52 N ATOM 0 H GLN A 38 9.456 -1.321 -0.190 1.00 0.58 H new ATOM 0 HA GLN A 38 10.009 -0.068 2.231 1.00 0.56 H new ATOM 0 HB2 GLN A 38 9.107 0.974 -0.469 1.00 0.68 H new ATOM 0 HB3 GLN A 38 9.513 2.046 0.856 1.00 0.68 H new ATOM 0 HG2 GLN A 38 11.376 -0.010 -0.389 1.00 0.95 H new ATOM 0 HG3 GLN A 38 11.414 1.716 -0.690 1.00 0.95 H new ATOM 0 HE21 GLN A 38 13.501 -0.064 0.433 1.00 1.52 H new ATOM 0 HE22 GLN A 38 13.916 0.627 2.005 1.00 1.52 H new ATOM 447 N CYS A 39 6.833 -0.140 1.513 1.00 0.53 N ATOM 448 CA CYS A 39 5.501 0.159 2.027 1.00 0.55 C ATOM 449 C CYS A 39 5.352 -0.279 3.482 1.00 0.46 C ATOM 450 O CYS A 39 4.843 0.449 4.320 1.00 0.47 O ATOM 451 CB CYS A 39 4.437 -0.536 1.170 1.00 0.66 C ATOM 452 SG CYS A 39 4.632 -2.326 1.034 1.00 1.48 S ATOM 0 H CYS A 39 6.843 -0.764 0.706 1.00 0.53 H new ATOM 0 HA CYS A 39 5.362 1.239 1.980 1.00 0.55 H new ATOM 0 HB2 CYS A 39 3.454 -0.322 1.590 1.00 0.66 H new ATOM 0 HB3 CYS A 39 4.457 -0.105 0.169 1.00 0.66 H new ATOM 0 HG CYS A 39 5.639 -2.595 0.257 1.00 1.48 H new ATOM 458 N LEU A 40 5.797 -1.479 3.784 1.00 0.40 N ATOM 459 CA LEU A 40 5.626 -2.010 5.116 1.00 0.37 C ATOM 460 C LEU A 40 6.525 -1.319 6.129 1.00 0.28 C ATOM 461 O LEU A 40 6.131 -1.147 7.279 1.00 0.30 O ATOM 462 CB LEU A 40 5.783 -3.526 5.134 1.00 0.40 C ATOM 463 CG LEU A 40 6.945 -4.092 4.316 1.00 0.39 C ATOM 464 CD1 LEU A 40 8.210 -4.169 5.161 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.588 -5.462 3.761 1.00 0.48 C ATOM 0 H LEU A 40 6.276 -2.100 3.131 1.00 0.40 H new ATOM 0 HA LEU A 40 4.603 -1.793 5.424 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.904 -3.846 6.169 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.857 -3.971 4.769 1.00 0.40 H new ATOM 0 HG LEU A 40 7.134 -3.420 3.479 1.00 0.39 H new ATOM 0 HD11 LEU A 40 9.025 -4.574 4.561 1.00 0.45 H new ATOM 0 HD12 LEU A 40 8.477 -3.171 5.508 1.00 0.45 H new ATOM 0 HD13 LEU A 40 8.035 -4.817 6.020 1.00 0.45 H new ATOM 0 HD21 LEU A 40 7.426 -5.850 3.182 1.00 0.48 H new ATOM 0 HD22 LEU A 40 6.370 -6.143 4.584 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.711 -5.377 3.119 1.00 0.48 H new ATOM 477 N VAL A 41 7.734 -0.941 5.723 1.00 0.24 N ATOM 478 CA VAL A 41 8.652 -0.292 6.653 1.00 0.23 C ATOM 479 C VAL A 41 8.150 1.089 7.091 1.00 0.24 C ATOM 480 O VAL A 41 8.238 1.424 8.274 1.00 0.26 O ATOM 481 CB VAL A 41 10.093 -0.185 6.115 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.701 -1.567 5.933 1.00 0.31 C ATOM 483 CG2 VAL A 41 10.142 0.595 4.819 1.00 0.33 C ATOM 0 H VAL A 41 8.095 -1.069 4.778 1.00 0.24 H new ATOM 0 HA VAL A 41 8.679 -0.946 7.525 1.00 0.23 H new ATOM 0 HB VAL A 41 10.684 0.359 6.852 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.718 -1.470 5.553 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.720 -2.085 6.892 1.00 0.31 H new ATOM 0 HG13 VAL A 41 10.101 -2.138 5.224 1.00 0.31 H new ATOM 0 HG21 VAL A 41 11.172 0.652 4.467 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.530 0.094 4.069 1.00 0.33 H new ATOM 0 HG23 VAL A 41 9.760 1.602 4.986 1.00 0.33 H new ATOM 493 N ASP A 42 7.626 1.889 6.163 1.00 0.27 N ATOM 494 CA ASP A 42 7.036 3.181 6.528 1.00 0.32 C ATOM 495 C ASP A 42 5.788 2.969 7.380 1.00 0.30 C ATOM 496 O ASP A 42 5.462 3.779 8.251 1.00 0.31 O ATOM 497 CB ASP A 42 6.710 4.035 5.291 1.00 0.42 C ATOM 498 CG ASP A 42 5.739 3.372 4.334 1.00 1.48 C ATOM 499 OD1 ASP A 42 4.587 3.130 4.736 1.00 1.82 O ATOM 500 OD2 ASP A 42 6.134 3.072 3.191 1.00 2.23 O ATOM 0 H ASP A 42 7.596 1.672 5.167 1.00 0.27 H new ATOM 0 HA ASP A 42 7.776 3.729 7.111 1.00 0.32 H new ATOM 0 HB2 ASP A 42 6.292 4.987 5.617 1.00 0.42 H new ATOM 0 HB3 ASP A 42 7.635 4.258 4.760 1.00 0.42 H new ATOM 505 N ASN A 43 5.115 1.854 7.147 1.00 0.31 N ATOM 506 CA ASN A 43 3.922 1.505 7.893 1.00 0.34 C ATOM 507 C ASN A 43 4.295 1.067 9.302 1.00 0.30 C ATOM 508 O ASN A 43 3.601 1.377 10.269 1.00 0.33 O ATOM 509 CB ASN A 43 3.144 0.398 7.166 1.00 0.42 C ATOM 510 CG ASN A 43 2.638 -0.667 8.112 1.00 0.73 C ATOM 511 OD1 ASN A 43 1.554 -0.556 8.686 1.00 0.98 O ATOM 512 ND2 ASN A 43 3.433 -1.712 8.277 1.00 1.10 N ATOM 0 H ASN A 43 5.380 1.170 6.439 1.00 0.31 H new ATOM 0 HA ASN A 43 3.280 2.383 7.964 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.300 0.839 6.635 1.00 0.42 H new ATOM 0 HB3 ASN A 43 3.787 -0.062 6.416 1.00 0.42 H new ATOM 0 HD21 ASN A 43 3.156 -2.470 8.901 1.00 1.10 H new ATOM 0 HD22 ASN A 43 4.322 -1.760 7.780 1.00 1.10 H new ATOM 519 N LEU A 44 5.409 0.360 9.414 1.00 0.28 N ATOM 520 CA LEU A 44 5.846 -0.152 10.700 1.00 0.31 C ATOM 521 C LEU A 44 6.439 0.990 11.495 1.00 0.34 C ATOM 522 O LEU A 44 6.355 1.027 12.718 1.00 0.48 O ATOM 523 CB LEU A 44 6.813 -1.339 10.547 1.00 0.34 C ATOM 524 CG LEU A 44 8.227 -1.052 10.027 1.00 0.81 C ATOM 525 CD1 LEU A 44 9.144 -0.583 11.149 1.00 0.61 C ATOM 526 CD2 LEU A 44 8.801 -2.294 9.362 1.00 1.93 C ATOM 0 H LEU A 44 6.023 0.129 8.633 1.00 0.28 H new ATOM 0 HA LEU A 44 4.991 -0.551 11.246 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.906 -1.821 11.520 1.00 0.34 H new ATOM 0 HB3 LEU A 44 6.350 -2.062 9.876 1.00 0.34 H new ATOM 0 HG LEU A 44 8.161 -0.251 9.291 1.00 0.81 H new ATOM 0 HD11 LEU A 44 10.139 -0.388 10.748 1.00 0.61 H new ATOM 0 HD12 LEU A 44 8.744 0.331 11.588 1.00 0.61 H new ATOM 0 HD13 LEU A 44 9.207 -1.356 11.915 1.00 0.61 H new ATOM 0 HD21 LEU A 44 9.805 -2.080 8.996 1.00 1.93 H new ATOM 0 HD22 LEU A 44 8.845 -3.107 10.086 1.00 1.93 H new ATOM 0 HD23 LEU A 44 8.165 -2.586 8.526 1.00 1.93 H new ATOM 538 N LEU A 45 7.034 1.920 10.767 1.00 0.33 N ATOM 539 CA LEU A 45 7.459 3.185 11.324 1.00 0.47 C ATOM 540 C LEU A 45 6.255 3.908 11.932 1.00 0.44 C ATOM 541 O LEU A 45 6.294 4.348 13.080 1.00 0.50 O ATOM 542 CB LEU A 45 8.142 3.997 10.189 1.00 0.66 C ATOM 543 CG LEU A 45 8.184 5.539 10.284 1.00 0.71 C ATOM 544 CD1 LEU A 45 6.860 6.163 9.838 1.00 0.77 C ATOM 545 CD2 LEU A 45 8.574 6.007 11.683 1.00 1.28 C ATOM 0 H LEU A 45 7.234 1.815 9.772 1.00 0.33 H new ATOM 0 HA LEU A 45 8.179 3.050 12.131 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.171 3.645 10.108 1.00 0.66 H new ATOM 0 HB3 LEU A 45 7.642 3.740 9.255 1.00 0.66 H new ATOM 0 HG LEU A 45 8.958 5.883 9.598 1.00 0.71 H new ATOM 0 HD11 LEU A 45 6.924 7.248 9.917 1.00 0.77 H new ATOM 0 HD12 LEU A 45 6.658 5.886 8.803 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.054 5.800 10.475 1.00 0.77 H new ATOM 0 HD21 LEU A 45 8.593 7.097 11.710 1.00 1.28 H new ATOM 0 HD22 LEU A 45 7.846 5.638 12.406 1.00 1.28 H new ATOM 0 HD23 LEU A 45 9.562 5.621 11.934 1.00 1.28 H new ATOM 557 N LYS A 46 5.188 4.020 11.160 1.00 0.40 N ATOM 558 CA LYS A 46 4.031 4.795 11.565 1.00 0.46 C ATOM 559 C LYS A 46 3.161 4.083 12.609 1.00 0.47 C ATOM 560 O LYS A 46 2.642 4.719 13.525 1.00 0.59 O ATOM 561 CB LYS A 46 3.207 5.157 10.334 1.00 0.48 C ATOM 562 CG LYS A 46 2.207 6.269 10.588 1.00 0.80 C ATOM 563 CD LYS A 46 2.871 7.503 11.179 1.00 1.37 C ATOM 564 CE LYS A 46 3.890 8.116 10.231 1.00 1.51 C ATOM 565 NZ LYS A 46 4.539 9.315 10.819 1.00 2.32 N ATOM 0 H LYS A 46 5.100 3.581 10.244 1.00 0.40 H new ATOM 0 HA LYS A 46 4.399 5.700 12.048 1.00 0.46 H new ATOM 0 HB2 LYS A 46 3.879 5.459 9.531 1.00 0.48 H new ATOM 0 HB3 LYS A 46 2.675 4.271 9.988 1.00 0.48 H new ATOM 0 HG2 LYS A 46 1.714 6.535 9.653 1.00 0.80 H new ATOM 0 HG3 LYS A 46 1.432 5.913 11.267 1.00 0.80 H new ATOM 0 HD2 LYS A 46 2.109 8.244 11.419 1.00 1.37 H new ATOM 0 HD3 LYS A 46 3.362 7.236 12.115 1.00 1.37 H new ATOM 0 HE2 LYS A 46 4.650 7.375 9.986 1.00 1.51 H new ATOM 0 HE3 LYS A 46 3.399 8.390 9.297 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 5.227 9.704 10.143 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 3.816 10.033 11.030 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 5.029 9.049 11.697 1.00 2.32 H new ATOM 579 N ASN A 47 2.994 2.776 12.468 1.00 0.39 N ATOM 580 CA ASN A 47 2.067 2.032 13.323 1.00 0.45 C ATOM 581 C ASN A 47 2.787 1.293 14.449 1.00 0.42 C ATOM 582 O ASN A 47 2.158 0.827 15.400 1.00 0.51 O ATOM 583 CB ASN A 47 1.265 1.041 12.482 1.00 0.47 C ATOM 584 CG ASN A 47 0.276 1.724 11.555 1.00 0.62 C ATOM 585 OD1 ASN A 47 -0.299 2.758 11.893 1.00 1.08 O ATOM 586 ND2 ASN A 47 0.084 1.165 10.369 1.00 1.37 N ATOM 0 H ASN A 47 3.482 2.208 11.776 1.00 0.39 H new ATOM 0 HA ASN A 47 1.395 2.756 13.784 1.00 0.45 H new ATOM 0 HB2 ASN A 47 1.951 0.434 11.891 1.00 0.47 H new ATOM 0 HB3 ASN A 47 0.727 0.362 13.143 1.00 0.47 H new ATOM 0 HD21 ASN A 47 -0.558 1.592 9.702 1.00 1.37 H new ATOM 0 HD22 ASN A 47 0.578 0.307 10.123 1.00 1.37 H new ATOM 593 N ASP A 48 4.103 1.187 14.321 1.00 0.37 N ATOM 594 CA ASP A 48 4.980 0.651 15.368 1.00 0.43 C ATOM 595 C ASP A 48 4.700 -0.811 15.745 1.00 0.42 C ATOM 596 O ASP A 48 5.002 -1.209 16.868 1.00 0.51 O ATOM 597 CB ASP A 48 4.912 1.516 16.635 1.00 0.58 C ATOM 598 CG ASP A 48 5.574 2.868 16.468 1.00 1.13 C ATOM 599 OD1 ASP A 48 6.825 2.929 16.468 1.00 1.12 O ATOM 600 OD2 ASP A 48 4.854 3.882 16.366 1.00 1.90 O ATOM 0 H ASP A 48 4.603 1.473 13.479 1.00 0.37 H new ATOM 0 HA ASP A 48 5.980 0.679 14.935 1.00 0.43 H new ATOM 0 HB2 ASP A 48 3.868 1.661 16.913 1.00 0.58 H new ATOM 0 HB3 ASP A 48 5.390 0.983 17.457 1.00 0.58 H new ATOM 605 N TYR A 49 4.172 -1.624 14.825 1.00 0.42 N ATOM 606 CA TYR A 49 4.071 -3.072 15.089 1.00 0.59 C ATOM 607 C TYR A 49 3.698 -3.888 13.852 1.00 0.69 C ATOM 608 O TYR A 49 3.850 -5.106 13.855 1.00 1.34 O ATOM 609 CB TYR A 49 3.111 -3.397 16.245 1.00 0.72 C ATOM 610 CG TYR A 49 1.639 -3.173 15.964 1.00 0.77 C ATOM 611 CD1 TYR A 49 1.059 -1.920 16.141 1.00 0.71 C ATOM 612 CD2 TYR A 49 0.836 -4.203 15.494 1.00 1.04 C ATOM 613 CE1 TYR A 49 -0.276 -1.706 15.859 1.00 0.85 C ATOM 614 CE2 TYR A 49 -0.500 -3.998 15.214 1.00 1.22 C ATOM 615 CZ TYR A 49 -1.074 -2.772 15.496 1.00 1.11 C ATOM 616 OH TYR A 49 -2.380 -2.538 15.113 1.00 1.33 O ATOM 0 H TYR A 49 3.817 -1.323 13.918 1.00 0.42 H new ATOM 0 HA TYR A 49 5.077 -3.369 15.386 1.00 0.59 H new ATOM 0 HB2 TYR A 49 3.253 -4.440 16.527 1.00 0.72 H new ATOM 0 HB3 TYR A 49 3.393 -2.792 17.107 1.00 0.72 H new ATOM 0 HD1 TYR A 49 1.663 -1.102 16.505 1.00 0.71 H new ATOM 0 HD2 TYR A 49 1.264 -5.183 15.345 1.00 1.04 H new ATOM 0 HE1 TYR A 49 -0.693 -0.712 15.922 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -1.092 -4.789 14.778 1.00 1.22 H new ATOM 0 HH TYR A 49 -2.437 -2.524 14.135 1.00 1.33 H new ATOM 626 N PHE A 50 3.216 -3.238 12.798 1.00 0.47 N ATOM 627 CA PHE A 50 2.982 -3.921 11.520 1.00 0.47 C ATOM 628 C PHE A 50 4.309 -4.144 10.798 1.00 0.47 C ATOM 629 O PHE A 50 4.426 -3.933 9.592 1.00 0.62 O ATOM 630 CB PHE A 50 2.049 -3.098 10.636 1.00 0.53 C ATOM 631 CG PHE A 50 0.636 -3.025 11.126 1.00 0.63 C ATOM 632 CD1 PHE A 50 -0.233 -4.079 10.920 1.00 0.67 C ATOM 633 CD2 PHE A 50 0.174 -1.898 11.776 1.00 0.78 C ATOM 634 CE1 PHE A 50 -1.537 -4.008 11.359 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.130 -1.818 12.214 1.00 0.92 C ATOM 636 CZ PHE A 50 -1.986 -2.877 12.006 1.00 0.93 C ATOM 0 H PHE A 50 2.979 -2.246 12.797 1.00 0.47 H new ATOM 0 HA PHE A 50 2.514 -4.884 11.723 1.00 0.47 H new ATOM 0 HB2 PHE A 50 2.445 -2.086 10.554 1.00 0.53 H new ATOM 0 HB3 PHE A 50 2.051 -3.523 9.632 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.113 -4.966 10.410 1.00 0.67 H new ATOM 0 HD2 PHE A 50 0.844 -1.068 11.943 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -2.207 -4.839 11.196 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -1.479 -0.929 12.718 1.00 0.92 H new ATOM 0 HZ PHE A 50 -3.008 -2.821 12.350 1.00 0.93 H new ATOM 646 N SER A 51 5.294 -4.575 11.561 1.00 0.45 N ATOM 647 CA SER A 51 6.637 -4.784 11.073 1.00 0.55 C ATOM 648 C SER A 51 6.745 -6.119 10.355 1.00 0.59 C ATOM 649 O SER A 51 5.746 -6.827 10.207 1.00 0.54 O ATOM 650 CB SER A 51 7.630 -4.714 12.232 1.00 0.62 C ATOM 651 OG SER A 51 7.235 -5.572 13.283 1.00 0.76 O ATOM 0 H SER A 51 5.179 -4.792 12.551 1.00 0.45 H new ATOM 0 HA SER A 51 6.876 -3.996 10.359 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.624 -4.993 11.883 1.00 0.62 H new ATOM 0 HB3 SER A 51 7.697 -3.690 12.598 1.00 0.62 H new ATOM 0 HG SER A 51 7.885 -5.514 14.014 1.00 0.76 H new ATOM 657 N ALA A 52 7.941 -6.448 9.897 1.00 0.72 N ATOM 658 CA ALA A 52 8.170 -7.686 9.154 1.00 0.76 C ATOM 659 C ALA A 52 7.637 -8.902 9.912 1.00 0.71 C ATOM 660 O ALA A 52 7.180 -9.861 9.301 1.00 0.68 O ATOM 661 CB ALA A 52 9.652 -7.864 8.853 1.00 0.94 C ATOM 0 H ALA A 52 8.775 -5.875 10.025 1.00 0.72 H new ATOM 0 HA ALA A 52 7.624 -7.610 8.214 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.802 -8.791 8.300 1.00 0.94 H new ATOM 0 HB2 ALA A 52 10.005 -7.023 8.256 1.00 0.94 H new ATOM 0 HB3 ALA A 52 10.211 -7.905 9.788 1.00 0.94 H new ATOM 667 N GLU A 53 7.681 -8.852 11.240 1.00 0.76 N ATOM 668 CA GLU A 53 7.187 -9.955 12.059 1.00 0.79 C ATOM 669 C GLU A 53 5.674 -10.110 11.907 1.00 0.67 C ATOM 670 O GLU A 53 5.184 -11.204 11.634 1.00 0.67 O ATOM 671 CB GLU A 53 7.543 -9.720 13.526 1.00 0.92 C ATOM 672 CG GLU A 53 9.022 -9.476 13.758 1.00 1.56 C ATOM 673 CD GLU A 53 9.367 -9.375 15.225 1.00 2.33 C ATOM 674 OE1 GLU A 53 9.306 -8.255 15.773 1.00 3.00 O ATOM 675 OE2 GLU A 53 9.700 -10.410 15.837 1.00 2.87 O ATOM 0 H GLU A 53 8.052 -8.064 11.770 1.00 0.76 H new ATOM 0 HA GLU A 53 7.663 -10.874 11.718 1.00 0.79 H new ATOM 0 HB2 GLU A 53 6.979 -8.864 13.896 1.00 0.92 H new ATOM 0 HB3 GLU A 53 7.229 -10.585 14.111 1.00 0.92 H new ATOM 0 HG2 GLU A 53 9.596 -10.286 13.308 1.00 1.56 H new ATOM 0 HG3 GLU A 53 9.319 -8.556 13.254 1.00 1.56 H new ATOM 682 N ASP A 54 4.946 -9.003 12.041 1.00 0.59 N ATOM 683 CA ASP A 54 3.494 -9.005 11.851 1.00 0.53 C ATOM 684 C ASP A 54 3.165 -9.385 10.420 1.00 0.41 C ATOM 685 O ASP A 54 2.271 -10.194 10.156 1.00 0.38 O ATOM 686 CB ASP A 54 2.906 -7.626 12.166 1.00 0.54 C ATOM 687 CG ASP A 54 1.479 -7.467 11.673 1.00 0.59 C ATOM 688 OD1 ASP A 54 0.556 -7.992 12.337 1.00 0.69 O ATOM 689 OD2 ASP A 54 1.272 -6.823 10.623 1.00 0.65 O ATOM 0 H ASP A 54 5.337 -8.092 12.281 1.00 0.59 H new ATOM 0 HA ASP A 54 3.056 -9.734 12.532 1.00 0.53 H new ATOM 0 HB2 ASP A 54 2.934 -7.462 13.243 1.00 0.54 H new ATOM 0 HB3 ASP A 54 3.530 -6.857 11.711 1.00 0.54 H new ATOM 694 N ALA A 55 3.925 -8.801 9.506 1.00 0.39 N ATOM 695 CA ALA A 55 3.778 -9.059 8.087 1.00 0.35 C ATOM 696 C ALA A 55 3.974 -10.539 7.764 1.00 0.33 C ATOM 697 O ALA A 55 3.137 -11.138 7.097 1.00 0.36 O ATOM 698 CB ALA A 55 4.762 -8.202 7.291 1.00 0.43 C ATOM 0 H ALA A 55 4.662 -8.133 9.731 1.00 0.39 H new ATOM 0 HA ALA A 55 2.761 -8.791 7.800 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.642 -8.404 6.227 1.00 0.43 H new ATOM 0 HB2 ALA A 55 4.565 -7.147 7.484 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.781 -8.442 7.594 1.00 0.43 H new ATOM 704 N GLU A 56 5.042 -11.129 8.279 1.00 0.36 N ATOM 705 CA GLU A 56 5.381 -12.515 7.972 1.00 0.41 C ATOM 706 C GLU A 56 4.319 -13.487 8.481 1.00 0.35 C ATOM 707 O GLU A 56 3.963 -14.439 7.786 1.00 0.38 O ATOM 708 CB GLU A 56 6.736 -12.875 8.577 1.00 0.56 C ATOM 709 CG GLU A 56 7.253 -14.229 8.127 1.00 0.96 C ATOM 710 CD GLU A 56 8.476 -14.670 8.894 1.00 1.60 C ATOM 711 OE1 GLU A 56 9.589 -14.210 8.564 1.00 1.81 O ATOM 712 OE2 GLU A 56 8.332 -15.488 9.825 1.00 2.44 O ATOM 0 H GLU A 56 5.693 -10.669 8.915 1.00 0.36 H new ATOM 0 HA GLU A 56 5.428 -12.604 6.887 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.462 -12.108 8.307 1.00 0.56 H new ATOM 0 HB3 GLU A 56 6.654 -12.868 9.664 1.00 0.56 H new ATOM 0 HG2 GLU A 56 6.465 -14.973 8.248 1.00 0.96 H new ATOM 0 HG3 GLU A 56 7.491 -14.187 7.064 1.00 0.96 H new ATOM 719 N ILE A 57 3.817 -13.248 9.687 1.00 0.35 N ATOM 720 CA ILE A 57 2.858 -14.163 10.302 1.00 0.40 C ATOM 721 C ILE A 57 1.593 -14.283 9.460 1.00 0.38 C ATOM 722 O ILE A 57 1.159 -15.384 9.126 1.00 0.45 O ATOM 723 CB ILE A 57 2.466 -13.711 11.730 1.00 0.48 C ATOM 724 CG1 ILE A 57 3.695 -13.652 12.651 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.394 -14.625 12.308 1.00 0.58 C ATOM 726 CD1 ILE A 57 4.609 -14.853 12.547 1.00 0.67 C ATOM 0 H ILE A 57 4.055 -12.436 10.256 1.00 0.35 H new ATOM 0 HA ILE A 57 3.351 -15.133 10.361 1.00 0.40 H new ATOM 0 HB ILE A 57 2.055 -12.704 11.663 1.00 0.48 H new ATOM 0 HG12 ILE A 57 4.267 -12.754 12.418 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.357 -13.556 13.683 1.00 0.60 H new ATOM 0 HG21 ILE A 57 1.133 -14.290 13.312 1.00 0.58 H new ATOM 0 HG22 ILE A 57 0.508 -14.594 11.673 1.00 0.58 H new ATOM 0 HG23 ILE A 57 1.772 -15.646 12.353 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.450 -14.730 13.229 1.00 0.67 H new ATOM 0 HD12 ILE A 57 4.056 -15.755 12.811 1.00 0.67 H new ATOM 0 HD13 ILE A 57 4.980 -14.940 11.526 1.00 0.67 H new ATOM 738 N VAL A 58 1.013 -13.150 9.107 1.00 0.35 N ATOM 739 CA VAL A 58 -0.206 -13.143 8.316 1.00 0.42 C ATOM 740 C VAL A 58 0.076 -13.573 6.873 1.00 0.45 C ATOM 741 O VAL A 58 -0.730 -14.267 6.256 1.00 0.55 O ATOM 742 CB VAL A 58 -0.901 -11.767 8.346 1.00 0.43 C ATOM 743 CG1 VAL A 58 -2.244 -11.823 7.633 1.00 0.56 C ATOM 744 CG2 VAL A 58 -1.080 -11.292 9.780 1.00 0.43 C ATOM 0 H VAL A 58 1.365 -12.225 9.354 1.00 0.35 H new ATOM 0 HA VAL A 58 -0.887 -13.865 8.766 1.00 0.42 H new ATOM 0 HB VAL A 58 -0.266 -11.054 7.821 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.715 -10.841 7.667 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -2.093 -12.117 6.594 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -2.888 -12.552 8.126 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.572 -10.319 9.782 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.692 -12.009 10.327 1.00 0.43 H new ATOM 0 HG23 VAL A 58 -0.105 -11.206 10.259 1.00 0.43 H new ATOM 754 N CYS A 59 1.249 -13.184 6.368 1.00 0.41 N ATOM 755 CA CYS A 59 1.677 -13.470 4.988 1.00 0.48 C ATOM 756 C CYS A 59 1.584 -14.961 4.657 1.00 0.55 C ATOM 757 O CYS A 59 1.468 -15.339 3.490 1.00 0.63 O ATOM 758 CB CYS A 59 3.121 -12.979 4.799 1.00 0.52 C ATOM 759 SG CYS A 59 3.994 -13.669 3.372 1.00 0.92 S ATOM 0 H CYS A 59 1.937 -12.657 6.906 1.00 0.41 H new ATOM 0 HA CYS A 59 1.007 -12.945 4.307 1.00 0.48 H new ATOM 0 HB2 CYS A 59 3.108 -11.893 4.706 1.00 0.52 H new ATOM 0 HB3 CYS A 59 3.688 -13.215 5.700 1.00 0.52 H new ATOM 0 HG CYS A 59 3.379 -14.739 2.963 1.00 0.92 H new ATOM 765 N ALA A 60 1.634 -15.800 5.685 1.00 0.54 N ATOM 766 CA ALA A 60 1.529 -17.246 5.514 1.00 0.64 C ATOM 767 C ALA A 60 0.297 -17.646 4.689 1.00 0.70 C ATOM 768 O ALA A 60 0.280 -18.719 4.085 1.00 0.78 O ATOM 769 CB ALA A 60 1.499 -17.931 6.873 1.00 0.67 C ATOM 0 H ALA A 60 1.748 -15.501 6.654 1.00 0.54 H new ATOM 0 HA ALA A 60 2.408 -17.574 4.960 1.00 0.64 H new ATOM 0 HB1 ALA A 60 1.421 -19.009 6.735 1.00 0.67 H new ATOM 0 HB2 ALA A 60 2.415 -17.700 7.417 1.00 0.67 H new ATOM 0 HB3 ALA A 60 0.640 -17.574 7.441 1.00 0.67 H new ATOM 775 N CYS A 61 -0.729 -16.796 4.657 1.00 0.69 N ATOM 776 CA CYS A 61 -1.926 -17.101 3.881 1.00 0.76 C ATOM 777 C CYS A 61 -2.044 -16.219 2.616 1.00 0.71 C ATOM 778 O CYS A 61 -1.895 -16.736 1.511 1.00 0.79 O ATOM 779 CB CYS A 61 -3.181 -17.011 4.759 1.00 0.81 C ATOM 780 SG CYS A 61 -3.172 -18.147 6.167 1.00 1.41 S ATOM 0 H CYS A 61 -0.755 -15.904 5.152 1.00 0.69 H new ATOM 0 HA CYS A 61 -1.836 -18.129 3.530 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -3.282 -15.990 5.128 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -4.058 -17.216 4.145 1.00 0.81 H new ATOM 0 HG CYS A 61 -4.268 -17.999 6.851 1.00 1.41 H new ATOM 786 N PRO A 62 -2.302 -14.889 2.732 1.00 0.62 N ATOM 787 CA PRO A 62 -2.474 -14.002 1.570 1.00 0.60 C ATOM 788 C PRO A 62 -1.149 -13.459 1.026 1.00 0.54 C ATOM 789 O PRO A 62 -1.111 -12.397 0.394 1.00 0.49 O ATOM 790 CB PRO A 62 -3.315 -12.841 2.125 1.00 0.58 C ATOM 791 CG PRO A 62 -3.542 -13.144 3.574 1.00 0.60 C ATOM 792 CD PRO A 62 -2.481 -14.125 3.966 1.00 0.57 C ATOM 0 HA PRO A 62 -2.930 -14.534 0.735 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.795 -11.891 2.003 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -4.262 -12.757 1.592 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.476 -12.238 4.176 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.536 -13.561 3.733 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.561 -13.629 4.276 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.797 -14.758 4.795 1.00 0.57 H new ATOM 800 N THR A 63 -0.077 -14.197 1.281 1.00 0.58 N ATOM 801 CA THR A 63 1.282 -13.819 0.886 1.00 0.57 C ATOM 802 C THR A 63 1.667 -12.422 1.391 1.00 0.46 C ATOM 803 O THR A 63 0.914 -11.780 2.132 1.00 0.42 O ATOM 804 CB THR A 63 1.515 -13.932 -0.646 1.00 0.66 C ATOM 805 OG1 THR A 63 0.578 -13.131 -1.378 1.00 0.93 O ATOM 806 CG2 THR A 63 1.402 -15.382 -1.102 1.00 0.94 C ATOM 0 H THR A 63 -0.123 -15.088 1.775 1.00 0.58 H new ATOM 0 HA THR A 63 1.939 -14.542 1.369 1.00 0.57 H new ATOM 0 HB THR A 63 2.521 -13.565 -0.848 1.00 0.66 H new ATOM 0 HG1 THR A 63 0.131 -12.509 -0.766 1.00 0.93 H new ATOM 0 HG21 THR A 63 1.568 -15.439 -2.178 1.00 0.94 H new ATOM 0 HG22 THR A 63 2.150 -15.985 -0.587 1.00 0.94 H new ATOM 0 HG23 THR A 63 0.407 -15.760 -0.868 1.00 0.94 H new ATOM 814 N GLN A 64 2.850 -11.968 1.019 1.00 0.46 N ATOM 815 CA GLN A 64 3.349 -10.679 1.481 1.00 0.44 C ATOM 816 C GLN A 64 2.540 -9.497 0.928 1.00 0.40 C ATOM 817 O GLN A 64 2.191 -8.589 1.686 1.00 0.38 O ATOM 818 CB GLN A 64 4.836 -10.532 1.145 1.00 0.55 C ATOM 819 CG GLN A 64 5.431 -9.189 1.547 1.00 0.81 C ATOM 820 CD GLN A 64 6.944 -9.167 1.456 1.00 1.45 C ATOM 821 OE1 GLN A 64 7.640 -9.448 2.429 1.00 2.09 O ATOM 822 NE2 GLN A 64 7.461 -8.851 0.282 1.00 2.22 N ATOM 0 H GLN A 64 3.485 -12.470 0.399 1.00 0.46 H new ATOM 0 HA GLN A 64 3.226 -10.656 2.564 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.391 -11.327 1.643 1.00 0.55 H new ATOM 0 HB3 GLN A 64 4.971 -10.672 0.072 1.00 0.55 H new ATOM 0 HG2 GLN A 64 5.021 -8.409 0.906 1.00 0.81 H new ATOM 0 HG3 GLN A 64 5.129 -8.954 2.568 1.00 0.81 H new ATOM 0 HE21 GLN A 64 6.848 -8.624 -0.501 1.00 2.22 H new ATOM 0 HE22 GLN A 64 8.473 -8.834 0.158 1.00 2.22 H new ATOM 831 N PRO A 65 2.220 -9.463 -0.380 1.00 0.41 N ATOM 832 CA PRO A 65 1.520 -8.321 -0.960 1.00 0.40 C ATOM 833 C PRO A 65 0.127 -8.072 -0.355 1.00 0.33 C ATOM 834 O PRO A 65 -0.236 -6.920 -0.113 1.00 0.32 O ATOM 835 CB PRO A 65 1.429 -8.656 -2.450 1.00 0.48 C ATOM 836 CG PRO A 65 2.448 -9.716 -2.681 1.00 0.55 C ATOM 837 CD PRO A 65 2.536 -10.482 -1.399 1.00 0.48 C ATOM 0 HA PRO A 65 2.056 -7.394 -0.757 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.431 -9.007 -2.713 1.00 0.48 H new ATOM 0 HB3 PRO A 65 1.630 -7.777 -3.063 1.00 0.48 H new ATOM 0 HG2 PRO A 65 2.156 -10.366 -3.506 1.00 0.55 H new ATOM 0 HG3 PRO A 65 3.412 -9.281 -2.944 1.00 0.55 H new ATOM 0 HD2 PRO A 65 1.828 -11.310 -1.374 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.529 -10.907 -1.250 1.00 0.48 H new ATOM 845 N ASP A 66 -0.668 -9.107 -0.088 1.00 0.31 N ATOM 846 CA ASP A 66 -1.959 -8.863 0.548 1.00 0.29 C ATOM 847 C ASP A 66 -1.753 -8.434 1.991 1.00 0.26 C ATOM 848 O ASP A 66 -2.549 -7.675 2.547 1.00 0.26 O ATOM 849 CB ASP A 66 -2.906 -10.055 0.456 1.00 0.34 C ATOM 850 CG ASP A 66 -3.795 -9.990 -0.773 1.00 0.68 C ATOM 851 OD1 ASP A 66 -4.651 -9.076 -0.850 1.00 1.11 O ATOM 852 OD2 ASP A 66 -3.645 -10.846 -1.669 1.00 1.02 O ATOM 0 H ASP A 66 -0.454 -10.083 -0.292 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.443 -8.056 -0.002 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.325 -10.977 0.433 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -3.528 -10.092 1.350 1.00 0.34 H new ATOM 857 N LYS A 67 -0.681 -8.939 2.594 1.00 0.28 N ATOM 858 CA LYS A 67 -0.316 -8.576 3.956 1.00 0.29 C ATOM 859 C LYS A 67 -0.121 -7.063 4.104 1.00 0.29 C ATOM 860 O LYS A 67 -0.494 -6.480 5.127 1.00 0.33 O ATOM 861 CB LYS A 67 0.953 -9.314 4.390 1.00 0.35 C ATOM 862 CG LYS A 67 1.428 -8.917 5.774 1.00 0.64 C ATOM 863 CD LYS A 67 0.343 -9.138 6.812 1.00 0.79 C ATOM 864 CE LYS A 67 0.720 -8.547 8.159 1.00 1.13 C ATOM 865 NZ LYS A 67 1.136 -7.129 8.054 1.00 1.28 N ATOM 0 H LYS A 67 -0.046 -9.606 2.155 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.140 -8.875 4.604 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.766 -10.388 4.371 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.746 -9.115 3.669 1.00 0.35 H new ATOM 0 HG2 LYS A 67 2.311 -9.498 6.038 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.725 -7.868 5.772 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -0.588 -8.688 6.466 1.00 0.79 H new ATOM 0 HD3 LYS A 67 0.159 -10.207 6.923 1.00 0.79 H new ATOM 0 HE2 LYS A 67 -0.129 -8.625 8.838 1.00 1.13 H new ATOM 0 HE3 LYS A 67 1.531 -9.130 8.595 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 1.009 -6.661 8.974 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 2.137 -7.081 7.776 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.555 -6.649 7.338 1.00 1.28 H new ATOM 879 N VAL A 68 0.476 -6.423 3.105 1.00 0.27 N ATOM 880 CA VAL A 68 0.660 -4.981 3.167 1.00 0.29 C ATOM 881 C VAL A 68 -0.672 -4.259 3.042 1.00 0.26 C ATOM 882 O VAL A 68 -0.889 -3.256 3.705 1.00 0.28 O ATOM 883 CB VAL A 68 1.684 -4.426 2.147 1.00 0.37 C ATOM 884 CG1 VAL A 68 3.032 -5.093 2.343 1.00 0.47 C ATOM 885 CG2 VAL A 68 1.215 -4.579 0.710 1.00 0.47 C ATOM 0 H VAL A 68 0.833 -6.869 2.260 1.00 0.27 H new ATOM 0 HA VAL A 68 1.088 -4.783 4.150 1.00 0.29 H new ATOM 0 HB VAL A 68 1.781 -3.357 2.335 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.744 -4.694 1.620 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.392 -4.896 3.353 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.930 -6.168 2.197 1.00 0.47 H new ATOM 0 HG21 VAL A 68 1.970 -4.174 0.036 1.00 0.47 H new ATOM 0 HG22 VAL A 68 1.060 -5.635 0.488 1.00 0.47 H new ATOM 0 HG23 VAL A 68 0.279 -4.038 0.573 1.00 0.47 H new ATOM 895 N ARG A 69 -1.578 -4.765 2.215 1.00 0.24 N ATOM 896 CA ARG A 69 -2.926 -4.204 2.172 1.00 0.31 C ATOM 897 C ARG A 69 -3.504 -4.158 3.582 1.00 0.25 C ATOM 898 O ARG A 69 -4.098 -3.164 3.984 1.00 0.25 O ATOM 899 CB ARG A 69 -3.834 -5.029 1.254 1.00 0.47 C ATOM 900 CG ARG A 69 -5.315 -4.997 1.632 1.00 0.63 C ATOM 901 CD ARG A 69 -5.931 -3.607 1.513 1.00 0.92 C ATOM 902 NE ARG A 69 -7.182 -3.496 2.273 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.285 -4.218 2.040 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.304 -5.130 1.083 1.00 2.21 N ATOM 905 NH2 ARG A 69 -9.363 -4.031 2.786 1.00 2.61 N ATOM 0 H ARG A 69 -1.413 -5.544 1.578 1.00 0.24 H new ATOM 0 HA ARG A 69 -2.871 -3.193 1.769 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -3.725 -4.664 0.233 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.493 -6.064 1.261 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -5.863 -5.687 0.991 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -5.431 -5.353 2.656 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -5.220 -2.863 1.873 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.123 -3.383 0.464 1.00 0.92 H new ATOM 0 HE ARG A 69 -7.213 -2.819 3.035 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -7.473 -5.289 0.514 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -9.150 -5.674 0.914 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -9.351 -3.339 3.535 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -10.205 -4.579 2.612 1.00 2.61 H new ATOM 919 N LYS A 70 -3.290 -5.231 4.325 1.00 0.24 N ATOM 920 CA LYS A 70 -3.765 -5.334 5.693 1.00 0.26 C ATOM 921 C LYS A 70 -3.195 -4.224 6.581 1.00 0.23 C ATOM 922 O LYS A 70 -3.908 -3.678 7.421 1.00 0.27 O ATOM 923 CB LYS A 70 -3.419 -6.723 6.239 1.00 0.31 C ATOM 924 CG LYS A 70 -3.419 -6.853 7.757 1.00 0.31 C ATOM 925 CD LYS A 70 -2.018 -6.648 8.322 1.00 0.31 C ATOM 926 CE LYS A 70 -1.865 -7.205 9.735 1.00 0.38 C ATOM 927 NZ LYS A 70 -2.891 -6.676 10.673 1.00 0.75 N ATOM 0 H LYS A 70 -2.783 -6.053 3.997 1.00 0.24 H new ATOM 0 HA LYS A 70 -4.847 -5.204 5.700 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.130 -7.441 5.831 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.433 -7.004 5.868 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.100 -6.120 8.189 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -3.789 -7.838 8.041 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.292 -7.129 7.666 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -1.786 -5.583 8.329 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -1.934 -8.292 9.702 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -0.872 -6.960 10.113 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -2.433 -6.387 11.561 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -3.364 -5.855 10.244 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -3.594 -7.416 10.871 1.00 0.75 H new ATOM 941 N ILE A 71 -1.922 -3.883 6.406 1.00 0.21 N ATOM 942 CA ILE A 71 -1.317 -2.866 7.259 1.00 0.21 C ATOM 943 C ILE A 71 -1.913 -1.488 6.981 1.00 0.18 C ATOM 944 O ILE A 71 -2.266 -0.759 7.914 1.00 0.20 O ATOM 945 CB ILE A 71 0.229 -2.825 7.161 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.720 -2.352 5.785 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.808 -4.184 7.493 1.00 0.50 C ATOM 948 CD1 ILE A 71 2.164 -2.705 5.467 1.00 0.57 C ATOM 0 H ILE A 71 -1.303 -4.283 5.701 1.00 0.21 H new ATOM 0 HA ILE A 71 -1.555 -3.152 8.284 1.00 0.21 H new ATOM 0 HB ILE A 71 0.580 -2.094 7.889 1.00 0.28 H new ATOM 0 HG12 ILE A 71 0.078 -2.784 5.018 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.604 -1.270 5.726 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.895 -4.144 7.421 1.00 0.50 H new ATOM 0 HG22 ILE A 71 0.522 -4.464 8.507 1.00 0.50 H new ATOM 0 HG23 ILE A 71 0.425 -4.924 6.790 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.420 -2.331 4.476 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.821 -2.250 6.208 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.287 -3.788 5.489 1.00 0.57 H new ATOM 960 N LEU A 72 -2.043 -1.130 5.705 1.00 0.19 N ATOM 961 CA LEU A 72 -2.662 0.140 5.351 1.00 0.24 C ATOM 962 C LEU A 72 -4.147 0.105 5.704 1.00 0.25 C ATOM 963 O LEU A 72 -4.743 1.129 6.028 1.00 0.29 O ATOM 964 CB LEU A 72 -2.516 0.509 3.865 1.00 0.39 C ATOM 965 CG LEU A 72 -1.117 0.490 3.229 1.00 0.31 C ATOM 966 CD1 LEU A 72 -0.016 0.507 4.272 1.00 0.53 C ATOM 967 CD2 LEU A 72 -0.980 -0.700 2.291 1.00 0.88 C ATOM 0 H LEU A 72 -1.733 -1.693 4.913 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.135 0.903 5.924 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -3.147 -0.171 3.293 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -2.925 1.511 3.732 1.00 0.39 H new ATOM 0 HG LEU A 72 -1.003 1.403 2.645 1.00 0.31 H new ATOM 0 HD11 LEU A 72 0.955 0.493 3.777 1.00 0.53 H new ATOM 0 HD12 LEU A 72 -0.102 1.410 4.877 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.109 -0.369 4.913 1.00 0.53 H new ATOM 0 HD21 LEU A 72 0.016 -0.701 1.848 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -1.129 -1.623 2.851 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.729 -0.629 1.502 1.00 0.88 H new ATOM 979 N ASP A 73 -4.741 -1.082 5.624 1.00 0.26 N ATOM 980 CA ASP A 73 -6.170 -1.251 5.870 1.00 0.31 C ATOM 981 C ASP A 73 -6.535 -0.788 7.273 1.00 0.30 C ATOM 982 O ASP A 73 -7.534 -0.094 7.469 1.00 0.34 O ATOM 983 CB ASP A 73 -6.581 -2.718 5.699 1.00 0.37 C ATOM 984 CG ASP A 73 -8.073 -2.880 5.490 1.00 0.58 C ATOM 985 OD1 ASP A 73 -8.625 -2.247 4.567 1.00 0.67 O ATOM 986 OD2 ASP A 73 -8.706 -3.631 6.262 1.00 1.16 O ATOM 0 H ASP A 73 -4.252 -1.946 5.389 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.705 -0.642 5.141 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.049 -3.144 4.848 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -6.277 -3.283 6.580 1.00 0.37 H new ATOM 991 N LEU A 74 -5.718 -1.169 8.247 1.00 0.28 N ATOM 992 CA LEU A 74 -5.973 -0.788 9.629 1.00 0.28 C ATOM 993 C LEU A 74 -5.640 0.681 9.874 1.00 0.27 C ATOM 994 O LEU A 74 -6.291 1.336 10.689 1.00 0.31 O ATOM 995 CB LEU A 74 -5.209 -1.688 10.609 1.00 0.30 C ATOM 996 CG LEU A 74 -5.920 -2.998 10.979 1.00 0.37 C ATOM 997 CD1 LEU A 74 -5.913 -3.978 9.817 1.00 0.72 C ATOM 998 CD2 LEU A 74 -5.285 -3.624 12.208 1.00 0.85 C ATOM 0 H LEU A 74 -4.882 -1.736 8.107 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.039 -0.925 9.808 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.238 -1.929 10.176 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -5.019 -1.125 11.523 1.00 0.30 H new ATOM 0 HG LEU A 74 -6.958 -2.759 11.209 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -6.424 -4.895 10.111 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -6.426 -3.534 8.964 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -4.884 -4.208 9.542 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -5.803 -4.551 12.453 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -4.235 -3.838 12.006 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -5.360 -2.933 13.048 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.630 1.202 9.177 1.00 0.24 N ATOM 1011 CA VAL A 75 -4.244 2.596 9.360 1.00 0.24 C ATOM 1012 C VAL A 75 -5.293 3.539 8.765 1.00 0.27 C ATOM 1013 O VAL A 75 -5.584 4.590 9.332 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.853 2.927 8.756 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.923 3.111 7.253 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -2.270 4.162 9.433 1.00 0.23 C ATOM 0 H VAL A 75 -4.075 0.688 8.493 1.00 0.24 H new ATOM 0 HA VAL A 75 -4.180 2.747 10.438 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.193 2.080 8.943 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.930 3.341 6.868 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.288 2.194 6.791 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.602 3.931 7.018 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -1.294 4.386 9.003 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.938 5.010 9.280 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -2.161 3.974 10.501 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.832 3.152 7.599 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.860 3.919 6.883 1.00 0.37 C ATOM 1028 C GLN A 76 -6.337 5.252 6.329 1.00 0.48 C ATOM 1029 O GLN A 76 -6.917 5.803 5.393 1.00 0.94 O ATOM 1030 CB GLN A 76 -8.081 4.157 7.772 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.778 2.872 8.179 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.921 3.103 9.144 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -9.805 4.137 9.960 1.00 1.63 O flip ATOM 1034 NE2 GLN A 76 -10.896 2.355 9.159 1.00 1.56 N flip ATOM 0 H GLN A 76 -5.564 2.290 7.123 1.00 0.31 H new ATOM 0 HA GLN A 76 -7.153 3.312 6.026 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.772 4.696 8.668 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.789 4.796 7.244 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -9.157 2.372 7.288 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -8.052 2.200 8.637 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -10.945 1.568 8.512 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -11.656 2.521 9.819 1.00 1.56 H new ATOM 1043 N SER A 77 -5.262 5.781 6.901 1.00 0.40 N ATOM 1044 CA SER A 77 -4.712 7.047 6.437 1.00 0.50 C ATOM 1045 C SER A 77 -3.183 7.001 6.302 1.00 0.42 C ATOM 1046 O SER A 77 -2.664 6.964 5.188 1.00 0.39 O ATOM 1047 CB SER A 77 -5.127 8.170 7.388 1.00 0.66 C ATOM 1048 OG SER A 77 -6.534 8.191 7.576 1.00 1.44 O ATOM 0 H SER A 77 -4.758 5.357 7.680 1.00 0.40 H new ATOM 0 HA SER A 77 -5.116 7.239 5.443 1.00 0.50 H new ATOM 0 HB2 SER A 77 -4.631 8.037 8.350 1.00 0.66 H new ATOM 0 HB3 SER A 77 -4.797 9.129 6.989 1.00 0.66 H new ATOM 0 HG SER A 77 -6.771 8.918 8.189 1.00 1.44 H new ATOM 1054 N LYS A 78 -2.466 6.985 7.433 1.00 0.43 N ATOM 1055 CA LYS A 78 -1.000 7.118 7.426 1.00 0.42 C ATOM 1056 C LYS A 78 -0.316 6.073 6.557 1.00 0.45 C ATOM 1057 O LYS A 78 0.318 6.429 5.573 1.00 0.95 O ATOM 1058 CB LYS A 78 -0.418 7.075 8.843 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.793 8.285 9.690 1.00 0.59 C ATOM 1060 CD LYS A 78 -0.656 9.590 8.909 1.00 0.73 C ATOM 1061 CE LYS A 78 0.743 9.778 8.344 1.00 1.17 C ATOM 1062 NZ LYS A 78 0.833 10.981 7.470 1.00 1.13 N ATOM 0 H LYS A 78 -2.874 6.882 8.362 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.798 8.097 6.991 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.764 6.170 9.342 1.00 0.44 H new ATOM 0 HB3 LYS A 78 0.668 7.008 8.780 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.819 8.178 10.042 1.00 0.59 H new ATOM 0 HG3 LYS A 78 -0.155 8.322 10.573 1.00 0.59 H new ATOM 0 HD2 LYS A 78 -1.380 9.601 8.094 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.898 10.429 9.561 1.00 0.73 H new ATOM 0 HE2 LYS A 78 1.456 9.871 9.163 1.00 1.17 H new ATOM 0 HE3 LYS A 78 1.026 8.893 7.774 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 1.830 11.171 7.243 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 0.304 10.812 6.591 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 0.428 11.801 7.965 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.450 4.799 6.929 1.00 0.34 N ATOM 1077 CA GLY A 79 0.156 3.710 6.175 1.00 0.30 C ATOM 1078 C GLY A 79 -0.117 3.839 4.703 1.00 0.30 C ATOM 1079 O GLY A 79 0.797 3.836 3.899 1.00 0.33 O ATOM 0 H GLY A 79 -0.975 4.499 7.751 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.232 3.702 6.347 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.231 2.757 6.536 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.386 4.003 4.362 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.791 4.154 2.971 1.00 0.32 C ATOM 1085 C GLU A 80 -0.985 5.256 2.274 1.00 0.32 C ATOM 1086 O GLU A 80 -0.414 5.042 1.205 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.279 4.491 2.900 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.762 4.731 1.488 1.00 0.42 C ATOM 1089 CD GLU A 80 -5.201 5.183 1.415 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -5.445 6.408 1.478 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -6.088 4.327 1.241 1.00 0.50 O ATOM 0 H GLU A 80 -2.156 4.035 5.031 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.599 3.211 2.459 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -3.852 3.675 3.341 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.474 5.379 3.501 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -3.128 5.483 1.018 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -3.648 3.813 0.912 1.00 0.42 H new ATOM 1098 N GLU A 81 -0.909 6.411 2.925 1.00 0.32 N ATOM 1099 CA GLU A 81 -0.267 7.589 2.354 1.00 0.35 C ATOM 1100 C GLU A 81 1.248 7.421 2.255 1.00 0.35 C ATOM 1101 O GLU A 81 1.849 7.701 1.215 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.589 8.793 3.247 1.00 0.40 C ATOM 1103 CG GLU A 81 0.180 10.055 2.906 1.00 0.86 C ATOM 1104 CD GLU A 81 0.336 10.971 4.104 1.00 0.80 C ATOM 1105 OE1 GLU A 81 -0.420 10.808 5.085 1.00 1.15 O ATOM 1106 OE2 GLU A 81 1.193 11.883 4.060 1.00 1.09 O ATOM 0 H GLU A 81 -1.289 6.557 3.860 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.647 7.736 1.343 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -1.656 9.004 3.179 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -0.382 8.526 4.283 1.00 0.40 H new ATOM 0 HG2 GLU A 81 1.165 9.786 2.525 1.00 0.86 H new ATOM 0 HG3 GLU A 81 -0.336 10.588 2.108 1.00 0.86 H new ATOM 1113 N VAL A 82 1.857 6.954 3.335 1.00 0.33 N ATOM 1114 CA VAL A 82 3.306 6.827 3.394 1.00 0.35 C ATOM 1115 C VAL A 82 3.808 5.663 2.545 1.00 0.35 C ATOM 1116 O VAL A 82 4.822 5.788 1.862 1.00 0.38 O ATOM 1117 CB VAL A 82 3.832 6.716 4.851 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.626 8.032 5.583 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.160 5.585 5.621 1.00 0.46 C ATOM 0 H VAL A 82 1.371 6.657 4.181 1.00 0.33 H new ATOM 0 HA VAL A 82 3.710 7.748 2.973 1.00 0.35 H new ATOM 0 HB VAL A 82 4.897 6.489 4.795 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.998 7.943 6.604 1.00 0.42 H new ATOM 0 HG12 VAL A 82 4.168 8.824 5.067 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.563 8.274 5.604 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.560 5.547 6.634 1.00 0.46 H new ATOM 0 HG22 VAL A 82 2.085 5.761 5.662 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.354 4.637 5.118 1.00 0.46 H new ATOM 1129 N SER A 83 3.073 4.557 2.558 1.00 0.34 N ATOM 1130 CA SER A 83 3.492 3.344 1.866 1.00 0.36 C ATOM 1131 C SER A 83 3.608 3.547 0.368 1.00 0.33 C ATOM 1132 O SER A 83 4.609 3.156 -0.242 1.00 0.32 O ATOM 1133 CB SER A 83 2.505 2.223 2.152 1.00 0.42 C ATOM 1134 OG SER A 83 2.625 1.772 3.487 1.00 1.28 O ATOM 0 H SER A 83 2.179 4.475 3.043 1.00 0.34 H new ATOM 0 HA SER A 83 4.481 3.081 2.240 1.00 0.36 H new ATOM 0 HB2 SER A 83 1.489 2.574 1.973 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.682 1.394 1.467 1.00 0.42 H new ATOM 0 HG SER A 83 3.520 1.985 3.825 1.00 1.28 H new ATOM 1140 N GLU A 84 2.597 4.159 -0.237 1.00 0.32 N ATOM 1141 CA GLU A 84 2.655 4.416 -1.661 1.00 0.33 C ATOM 1142 C GLU A 84 3.759 5.420 -1.955 1.00 0.30 C ATOM 1143 O GLU A 84 4.502 5.269 -2.916 1.00 0.36 O ATOM 1144 CB GLU A 84 1.305 4.892 -2.213 1.00 0.37 C ATOM 1145 CG GLU A 84 0.733 6.118 -1.520 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.604 6.538 -2.100 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -1.418 5.648 -2.423 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -0.847 7.758 -2.226 1.00 0.72 O ATOM 0 H GLU A 84 1.747 4.478 0.228 1.00 0.32 H new ATOM 0 HA GLU A 84 2.884 3.479 -2.169 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.419 5.111 -3.275 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.586 4.077 -2.131 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.615 5.909 -0.457 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.439 6.944 -1.607 1.00 0.34 H new ATOM 1155 N PHE A 85 3.889 6.416 -1.092 1.00 0.26 N ATOM 1156 CA PHE A 85 4.896 7.448 -1.264 1.00 0.25 C ATOM 1157 C PHE A 85 6.312 6.865 -1.215 1.00 0.23 C ATOM 1158 O PHE A 85 7.119 7.124 -2.106 1.00 0.24 O ATOM 1159 CB PHE A 85 4.723 8.517 -0.179 1.00 0.28 C ATOM 1160 CG PHE A 85 5.726 9.634 -0.236 1.00 0.36 C ATOM 1161 CD1 PHE A 85 5.676 10.580 -1.247 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.716 9.741 0.729 1.00 0.44 C ATOM 1163 CE1 PHE A 85 6.595 11.609 -1.296 1.00 0.57 C ATOM 1164 CE2 PHE A 85 7.636 10.769 0.686 1.00 0.54 C ATOM 1165 CZ PHE A 85 7.576 11.705 -0.328 1.00 0.59 C ATOM 0 H PHE A 85 3.306 6.530 -0.263 1.00 0.26 H new ATOM 0 HA PHE A 85 4.761 7.899 -2.247 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.722 8.941 -0.261 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.787 8.038 0.798 1.00 0.28 H new ATOM 0 HD1 PHE A 85 4.910 10.512 -2.005 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.768 9.011 1.524 1.00 0.44 H new ATOM 0 HE1 PHE A 85 6.547 12.339 -2.091 1.00 0.57 H new ATOM 0 HE2 PHE A 85 8.402 10.841 1.444 1.00 0.54 H new ATOM 0 HZ PHE A 85 8.295 12.510 -0.364 1.00 0.59 H new ATOM 1175 N PHE A 86 6.595 6.043 -0.204 1.00 0.23 N ATOM 1176 CA PHE A 86 7.953 5.553 0.029 1.00 0.27 C ATOM 1177 C PHE A 86 8.390 4.552 -1.044 1.00 0.29 C ATOM 1178 O PHE A 86 9.475 4.682 -1.622 1.00 0.33 O ATOM 1179 CB PHE A 86 8.047 4.900 1.412 1.00 0.30 C ATOM 1180 CG PHE A 86 9.395 5.047 2.072 1.00 0.61 C ATOM 1181 CD1 PHE A 86 10.557 4.951 1.322 1.00 1.04 C ATOM 1182 CD2 PHE A 86 9.503 5.267 3.437 1.00 1.18 C ATOM 1183 CE1 PHE A 86 11.797 5.075 1.918 1.00 1.45 C ATOM 1184 CE2 PHE A 86 10.741 5.392 4.038 1.00 1.58 C ATOM 1185 CZ PHE A 86 11.873 5.340 3.303 1.00 1.58 C ATOM 0 H PHE A 86 5.904 5.703 0.465 1.00 0.23 H new ATOM 0 HA PHE A 86 8.623 6.411 -0.020 1.00 0.27 H new ATOM 0 HB2 PHE A 86 7.287 5.337 2.060 1.00 0.30 H new ATOM 0 HB3 PHE A 86 7.814 3.839 1.318 1.00 0.30 H new ATOM 0 HD1 PHE A 86 10.492 4.777 0.258 1.00 1.04 H new ATOM 0 HD2 PHE A 86 8.609 5.342 4.038 1.00 1.18 H new ATOM 0 HE1 PHE A 86 12.698 4.970 1.332 1.00 1.45 H new ATOM 0 HE2 PHE A 86 10.804 5.533 5.107 1.00 1.58 H new ATOM 0 HZ PHE A 86 12.832 5.500 3.773 1.00 1.58 H new ATOM 1195 N LEU A 87 7.553 3.560 -1.325 1.00 0.31 N ATOM 1196 CA LEU A 87 7.925 2.520 -2.280 1.00 0.36 C ATOM 1197 C LEU A 87 8.066 3.122 -3.681 1.00 0.35 C ATOM 1198 O LEU A 87 8.870 2.663 -4.494 1.00 0.39 O ATOM 1199 CB LEU A 87 6.911 1.356 -2.244 1.00 0.40 C ATOM 1200 CG LEU A 87 5.704 1.460 -3.183 1.00 0.60 C ATOM 1201 CD1 LEU A 87 6.005 0.775 -4.512 1.00 0.93 C ATOM 1202 CD2 LEU A 87 4.471 0.843 -2.539 1.00 0.83 C ATOM 0 H LEU A 87 6.626 3.453 -0.913 1.00 0.31 H new ATOM 0 HA LEU A 87 8.893 2.105 -1.999 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.444 0.434 -2.477 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.540 1.260 -1.224 1.00 0.40 H new ATOM 0 HG LEU A 87 5.504 2.515 -3.371 1.00 0.60 H new ATOM 0 HD11 LEU A 87 5.139 0.857 -5.168 1.00 0.93 H new ATOM 0 HD12 LEU A 87 6.863 1.255 -4.982 1.00 0.93 H new ATOM 0 HD13 LEU A 87 6.229 -0.277 -4.337 1.00 0.93 H new ATOM 0 HD21 LEU A 87 3.624 0.926 -3.220 1.00 0.83 H new ATOM 0 HD22 LEU A 87 4.661 -0.208 -2.323 1.00 0.83 H new ATOM 0 HD23 LEU A 87 4.243 1.369 -1.612 1.00 0.83 H new ATOM 1214 N TYR A 88 7.281 4.161 -3.940 1.00 0.34 N ATOM 1215 CA TYR A 88 7.357 4.924 -5.183 1.00 0.37 C ATOM 1216 C TYR A 88 8.601 5.792 -5.233 1.00 0.40 C ATOM 1217 O TYR A 88 9.113 6.051 -6.318 1.00 0.44 O ATOM 1218 CB TYR A 88 6.105 5.773 -5.387 1.00 0.45 C ATOM 1219 CG TYR A 88 4.892 4.980 -5.822 1.00 0.51 C ATOM 1220 CD1 TYR A 88 4.996 3.632 -6.131 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.643 5.581 -5.924 1.00 0.69 C ATOM 1222 CE1 TYR A 88 3.896 2.902 -6.529 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.536 4.858 -6.320 1.00 0.79 C ATOM 1224 CZ TYR A 88 2.668 3.519 -6.624 1.00 0.74 C ATOM 1225 OH TYR A 88 1.569 2.796 -7.021 1.00 0.89 O ATOM 0 H TYR A 88 6.570 4.501 -3.292 1.00 0.34 H new ATOM 0 HA TYR A 88 7.420 4.203 -5.998 1.00 0.37 H new ATOM 0 HB2 TYR A 88 5.874 6.291 -4.457 1.00 0.45 H new ATOM 0 HB3 TYR A 88 6.314 6.538 -6.135 1.00 0.45 H new ATOM 0 HD1 TYR A 88 5.957 3.145 -6.059 1.00 0.53 H new ATOM 0 HD2 TYR A 88 3.537 6.630 -5.690 1.00 0.69 H new ATOM 0 HE1 TYR A 88 3.997 1.853 -6.765 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.571 5.338 -6.391 1.00 0.79 H new ATOM 0 HH TYR A 88 1.853 2.068 -7.613 1.00 0.89 H new ATOM 1235 N LEU A 89 9.062 6.283 -4.082 1.00 0.41 N ATOM 1236 CA LEU A 89 10.306 7.052 -4.044 1.00 0.50 C ATOM 1237 C LEU A 89 11.388 6.255 -4.751 1.00 0.47 C ATOM 1238 O LEU A 89 12.132 6.780 -5.580 1.00 0.48 O ATOM 1239 CB LEU A 89 10.771 7.315 -2.604 1.00 0.66 C ATOM 1240 CG LEU A 89 9.816 8.103 -1.708 1.00 0.70 C ATOM 1241 CD1 LEU A 89 10.392 8.239 -0.307 1.00 1.41 C ATOM 1242 CD2 LEU A 89 9.531 9.474 -2.291 1.00 1.23 C ATOM 0 H LEU A 89 8.603 6.165 -3.179 1.00 0.41 H new ATOM 0 HA LEU A 89 10.126 8.011 -4.530 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.968 6.354 -2.129 1.00 0.66 H new ATOM 0 HB3 LEU A 89 11.719 7.851 -2.645 1.00 0.66 H new ATOM 0 HG LEU A 89 8.877 7.553 -1.651 1.00 0.70 H new ATOM 0 HD11 LEU A 89 9.699 8.803 0.318 1.00 1.41 H new ATOM 0 HD12 LEU A 89 10.544 7.248 0.122 1.00 1.41 H new ATOM 0 HD13 LEU A 89 11.346 8.764 -0.355 1.00 1.41 H new ATOM 0 HD21 LEU A 89 8.849 10.014 -1.634 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.463 10.031 -2.383 1.00 1.23 H new ATOM 0 HD23 LEU A 89 9.076 9.363 -3.275 1.00 1.23 H new ATOM 1254 N LEU A 90 11.452 4.976 -4.414 1.00 0.46 N ATOM 1255 CA LEU A 90 12.347 4.048 -5.083 1.00 0.46 C ATOM 1256 C LEU A 90 11.934 3.813 -6.538 1.00 0.40 C ATOM 1257 O LEU A 90 12.785 3.781 -7.427 1.00 0.42 O ATOM 1258 CB LEU A 90 12.401 2.709 -4.336 1.00 0.54 C ATOM 1259 CG LEU A 90 13.280 2.678 -3.075 1.00 0.82 C ATOM 1260 CD1 LEU A 90 14.709 3.081 -3.410 1.00 1.33 C ATOM 1261 CD2 LEU A 90 12.713 3.572 -1.981 1.00 1.59 C ATOM 0 H LEU A 90 10.889 4.556 -3.675 1.00 0.46 H new ATOM 0 HA LEU A 90 13.339 4.500 -5.079 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.385 2.431 -4.054 1.00 0.54 H new ATOM 0 HB3 LEU A 90 12.761 1.945 -5.025 1.00 0.54 H new ATOM 0 HG LEU A 90 13.286 1.655 -2.698 1.00 0.82 H new ATOM 0 HD11 LEU A 90 15.316 3.053 -2.505 1.00 1.33 H new ATOM 0 HD12 LEU A 90 15.120 2.388 -4.144 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.716 4.091 -3.821 1.00 1.33 H new ATOM 0 HD21 LEU A 90 13.358 3.527 -1.104 1.00 1.59 H new ATOM 0 HD22 LEU A 90 12.661 4.599 -2.341 1.00 1.59 H new ATOM 0 HD23 LEU A 90 11.713 3.230 -1.714 1.00 1.59 H new ATOM 1273 N GLN A 91 10.632 3.644 -6.779 1.00 0.36 N ATOM 1274 CA GLN A 91 10.164 3.198 -8.089 1.00 0.35 C ATOM 1275 C GLN A 91 10.173 4.297 -9.158 1.00 0.34 C ATOM 1276 O GLN A 91 10.807 4.131 -10.199 1.00 0.40 O ATOM 1277 CB GLN A 91 8.753 2.615 -7.980 1.00 0.38 C ATOM 1278 CG GLN A 91 8.148 2.269 -9.324 1.00 0.72 C ATOM 1279 CD GLN A 91 6.655 2.076 -9.260 1.00 1.14 C ATOM 1280 OE1 GLN A 91 6.119 1.604 -8.261 1.00 1.74 O ATOM 1281 NE2 GLN A 91 5.966 2.465 -10.321 1.00 1.70 N ATOM 0 H GLN A 91 9.894 3.807 -6.094 1.00 0.36 H new ATOM 0 HA GLN A 91 10.873 2.435 -8.411 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.784 1.719 -7.360 1.00 0.38 H new ATOM 0 HB3 GLN A 91 8.108 3.332 -7.472 1.00 0.38 H new ATOM 0 HG2 GLN A 91 8.377 3.062 -10.035 1.00 0.72 H new ATOM 0 HG3 GLN A 91 8.612 1.358 -9.702 1.00 0.72 H new ATOM 0 HE21 GLN A 91 6.451 2.852 -11.130 1.00 1.70 H new ATOM 0 HE22 GLN A 91 4.950 2.378 -10.329 1.00 1.70 H new ATOM 1290 N GLN A 92 9.526 5.424 -8.857 1.00 0.31 N ATOM 1291 CA GLN A 92 9.278 6.513 -9.822 1.00 0.36 C ATOM 1292 C GLN A 92 8.088 7.347 -9.362 1.00 0.39 C ATOM 1293 O GLN A 92 6.945 7.032 -9.677 1.00 0.42 O ATOM 1294 CB GLN A 92 9.006 6.000 -11.264 1.00 0.43 C ATOM 1295 CG GLN A 92 8.021 4.837 -11.374 1.00 0.46 C ATOM 1296 CD GLN A 92 8.239 4.007 -12.631 1.00 0.62 C ATOM 1297 OE1 GLN A 92 7.891 2.729 -12.571 1.00 0.87 O flip ATOM 1298 NE2 GLN A 92 8.708 4.512 -13.652 1.00 0.87 N flip ATOM 0 H GLN A 92 9.152 5.615 -7.927 1.00 0.31 H new ATOM 0 HA GLN A 92 10.187 7.114 -9.854 1.00 0.36 H new ATOM 0 HB2 GLN A 92 8.629 6.830 -11.861 1.00 0.43 H new ATOM 0 HB3 GLN A 92 9.954 5.694 -11.707 1.00 0.43 H new ATOM 0 HG2 GLN A 92 8.120 4.197 -10.498 1.00 0.46 H new ATOM 0 HG3 GLN A 92 7.003 5.226 -11.371 1.00 0.46 H new ATOM 0 HE21 GLN A 92 8.964 5.499 -13.661 1.00 0.87 H new ATOM 0 HE22 GLN A 92 8.840 3.943 -14.488 1.00 0.87 H new ATOM 1307 N LEU A 93 8.349 8.399 -8.599 1.00 0.48 N ATOM 1308 CA LEU A 93 7.284 9.303 -8.175 1.00 0.61 C ATOM 1309 C LEU A 93 6.562 9.879 -9.382 1.00 0.61 C ATOM 1310 O LEU A 93 5.335 9.941 -9.413 1.00 0.66 O ATOM 1311 CB LEU A 93 7.846 10.440 -7.327 1.00 0.80 C ATOM 1312 CG LEU A 93 8.403 10.020 -5.973 1.00 0.78 C ATOM 1313 CD1 LEU A 93 9.044 11.208 -5.279 1.00 1.28 C ATOM 1314 CD2 LEU A 93 7.298 9.427 -5.111 1.00 1.60 C ATOM 0 H LEU A 93 9.279 8.648 -8.262 1.00 0.48 H new ATOM 0 HA LEU A 93 6.577 8.730 -7.575 1.00 0.61 H new ATOM 0 HB2 LEU A 93 8.637 10.936 -7.890 1.00 0.80 H new ATOM 0 HB3 LEU A 93 7.059 11.176 -7.166 1.00 0.80 H new ATOM 0 HG LEU A 93 9.166 9.257 -6.127 1.00 0.78 H new ATOM 0 HD11 LEU A 93 9.438 10.895 -4.312 1.00 1.28 H new ATOM 0 HD12 LEU A 93 9.856 11.594 -5.895 1.00 1.28 H new ATOM 0 HD13 LEU A 93 8.298 11.989 -5.131 1.00 1.28 H new ATOM 0 HD21 LEU A 93 7.709 9.131 -4.146 1.00 1.60 H new ATOM 0 HD22 LEU A 93 6.516 10.171 -4.959 1.00 1.60 H new ATOM 0 HD23 LEU A 93 6.877 8.554 -5.609 1.00 1.60 H new ATOM 1326 N ALA A 94 7.335 10.277 -10.380 1.00 0.63 N ATOM 1327 CA ALA A 94 6.781 10.863 -11.588 1.00 0.73 C ATOM 1328 C ALA A 94 5.845 9.892 -12.297 1.00 0.71 C ATOM 1329 O ALA A 94 4.744 10.261 -12.700 1.00 0.78 O ATOM 1330 CB ALA A 94 7.901 11.293 -12.522 1.00 0.79 C ATOM 0 H ALA A 94 8.352 10.204 -10.376 1.00 0.63 H new ATOM 0 HA ALA A 94 6.199 11.739 -11.302 1.00 0.73 H new ATOM 0 HB1 ALA A 94 7.474 11.731 -13.424 1.00 0.79 H new ATOM 0 HB2 ALA A 94 8.528 12.031 -12.022 1.00 0.79 H new ATOM 0 HB3 ALA A 94 8.504 10.426 -12.790 1.00 0.79 H new ATOM 1336 N ASP A 95 6.281 8.647 -12.441 1.00 0.65 N ATOM 1337 CA ASP A 95 5.504 7.675 -13.197 1.00 0.67 C ATOM 1338 C ASP A 95 4.380 7.075 -12.366 1.00 0.68 C ATOM 1339 O ASP A 95 3.234 7.039 -12.791 1.00 0.71 O ATOM 1340 CB ASP A 95 6.376 6.550 -13.740 1.00 0.67 C ATOM 1341 CG ASP A 95 5.579 5.578 -14.594 1.00 0.78 C ATOM 1342 OD1 ASP A 95 5.357 5.872 -15.789 1.00 0.88 O ATOM 1343 OD2 ASP A 95 5.163 4.524 -14.072 1.00 0.87 O ATOM 0 H ASP A 95 7.154 8.291 -12.051 1.00 0.65 H new ATOM 0 HA ASP A 95 5.071 8.224 -14.033 1.00 0.67 H new ATOM 0 HB2 ASP A 95 7.187 6.973 -14.332 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.834 6.013 -12.910 1.00 0.67 H new ATOM 1348 N ALA A 96 4.720 6.629 -11.170 1.00 0.67 N ATOM 1349 CA ALA A 96 3.798 5.864 -10.345 1.00 0.72 C ATOM 1350 C ALA A 96 2.780 6.746 -9.646 1.00 0.75 C ATOM 1351 O ALA A 96 1.588 6.463 -9.679 1.00 0.83 O ATOM 1352 CB ALA A 96 4.573 5.061 -9.323 1.00 0.74 C ATOM 0 H ALA A 96 5.634 6.784 -10.745 1.00 0.67 H new ATOM 0 HA ALA A 96 3.246 5.195 -11.005 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.879 4.489 -8.707 1.00 0.74 H new ATOM 0 HB2 ALA A 96 5.251 4.378 -9.835 1.00 0.74 H new ATOM 0 HB3 ALA A 96 5.148 5.736 -8.690 1.00 0.74 H new ATOM 1358 N TYR A 97 3.246 7.818 -9.023 1.00 0.72 N ATOM 1359 CA TYR A 97 2.386 8.616 -8.161 1.00 0.76 C ATOM 1360 C TYR A 97 1.378 9.418 -8.974 1.00 0.86 C ATOM 1361 O TYR A 97 0.186 9.420 -8.669 1.00 0.96 O ATOM 1362 CB TYR A 97 3.224 9.552 -7.291 1.00 0.71 C ATOM 1363 CG TYR A 97 2.460 10.118 -6.114 1.00 0.72 C ATOM 1364 CD1 TYR A 97 2.212 9.344 -4.988 1.00 0.84 C ATOM 1365 CD2 TYR A 97 1.979 11.422 -6.132 1.00 0.90 C ATOM 1366 CE1 TYR A 97 1.506 9.851 -3.914 1.00 0.96 C ATOM 1367 CE2 TYR A 97 1.276 11.937 -5.060 1.00 1.02 C ATOM 1368 CZ TYR A 97 1.041 11.147 -3.955 1.00 0.98 C ATOM 1369 OH TYR A 97 0.340 11.657 -2.886 1.00 1.18 O ATOM 0 H TYR A 97 4.206 8.154 -9.097 1.00 0.72 H new ATOM 0 HA TYR A 97 1.833 7.932 -7.517 1.00 0.76 H new ATOM 0 HB2 TYR A 97 4.096 9.011 -6.923 1.00 0.71 H new ATOM 0 HB3 TYR A 97 3.594 10.374 -7.905 1.00 0.71 H new ATOM 0 HD1 TYR A 97 2.577 8.328 -4.951 1.00 0.84 H new ATOM 0 HD2 TYR A 97 2.158 12.042 -6.998 1.00 0.90 H new ATOM 0 HE1 TYR A 97 1.320 9.235 -3.047 1.00 0.96 H new ATOM 0 HE2 TYR A 97 0.912 12.954 -5.088 1.00 1.02 H new ATOM 0 HH TYR A 97 0.085 12.584 -3.075 1.00 1.18 H new ATOM 1379 N VAL A 98 1.851 10.100 -10.006 1.00 0.91 N ATOM 1380 CA VAL A 98 0.969 10.910 -10.836 1.00 1.11 C ATOM 1381 C VAL A 98 -0.035 10.035 -11.595 1.00 1.30 C ATOM 1382 O VAL A 98 -1.205 10.393 -11.743 1.00 1.35 O ATOM 1383 CB VAL A 98 1.781 11.756 -11.840 1.00 1.24 C ATOM 1384 CG1 VAL A 98 0.875 12.664 -12.656 1.00 1.74 C ATOM 1385 CG2 VAL A 98 2.839 12.574 -11.114 1.00 1.72 C ATOM 0 H VAL A 98 2.831 10.110 -10.288 1.00 0.91 H new ATOM 0 HA VAL A 98 0.420 11.577 -10.172 1.00 1.11 H new ATOM 0 HB VAL A 98 2.278 11.072 -12.528 1.00 1.24 H new ATOM 0 HG11 VAL A 98 1.477 13.247 -13.354 1.00 1.74 H new ATOM 0 HG12 VAL A 98 0.159 12.059 -13.212 1.00 1.74 H new ATOM 0 HG13 VAL A 98 0.339 13.338 -11.988 1.00 1.74 H new ATOM 0 HG21 VAL A 98 3.402 13.164 -11.837 1.00 1.72 H new ATOM 0 HG22 VAL A 98 2.356 13.240 -10.399 1.00 1.72 H new ATOM 0 HG23 VAL A 98 3.517 11.904 -10.585 1.00 1.72 H new ATOM 1395 N ASP A 99 0.427 8.873 -12.046 1.00 1.46 N ATOM 1396 CA ASP A 99 -0.424 7.931 -12.773 1.00 1.66 C ATOM 1397 C ASP A 99 -1.354 7.184 -11.814 1.00 1.52 C ATOM 1398 O ASP A 99 -2.327 6.562 -12.234 1.00 1.56 O ATOM 1399 CB ASP A 99 0.436 6.948 -13.572 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.302 6.308 -14.734 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -1.205 6.962 -15.298 1.00 3.22 O ATOM 1402 OD2 ASP A 99 -0.015 5.134 -15.055 1.00 3.00 O ATOM 0 H ASP A 99 1.389 8.558 -11.921 1.00 1.46 H new ATOM 0 HA ASP A 99 -1.045 8.494 -13.470 1.00 1.66 H new ATOM 0 HB2 ASP A 99 1.314 7.471 -13.952 1.00 2.08 H new ATOM 0 HB3 ASP A 99 0.796 6.165 -12.904 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.044 7.253 -10.522 1.00 1.45 N ATOM 1408 CA LEU A 100 -1.795 6.531 -9.493 1.00 1.47 C ATOM 1409 C LEU A 100 -3.224 7.050 -9.365 1.00 1.29 C ATOM 1410 O LEU A 100 -4.131 6.295 -9.007 1.00 1.31 O ATOM 1411 CB LEU A 100 -1.062 6.622 -8.144 1.00 1.67 C ATOM 1412 CG LEU A 100 -1.786 6.016 -6.935 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -0.783 5.464 -5.940 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -2.658 7.060 -6.254 1.00 2.05 C ATOM 0 H LEU A 100 -0.269 7.808 -10.158 1.00 1.45 H new ATOM 0 HA LEU A 100 -1.857 5.486 -9.796 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -0.095 6.129 -8.246 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -0.864 7.673 -7.933 1.00 1.67 H new ATOM 0 HG LEU A 100 -2.420 5.204 -7.292 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -1.313 5.038 -5.088 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -0.184 4.690 -6.419 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -0.131 6.267 -5.597 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -3.163 6.611 -5.399 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -2.036 7.888 -5.914 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -3.401 7.431 -6.960 1.00 2.05 H new ATOM 1426 N ARG A 101 -3.426 8.331 -9.658 1.00 1.20 N ATOM 1427 CA ARG A 101 -4.749 8.934 -9.533 1.00 1.24 C ATOM 1428 C ARG A 101 -5.783 8.187 -10.386 1.00 1.16 C ATOM 1429 O ARG A 101 -6.821 7.776 -9.868 1.00 1.28 O ATOM 1430 CB ARG A 101 -4.708 10.422 -9.903 1.00 1.33 C ATOM 1431 CG ARG A 101 -3.845 11.253 -8.969 1.00 1.51 C ATOM 1432 CD ARG A 101 -4.382 11.219 -7.550 1.00 1.91 C ATOM 1433 NE ARG A 101 -3.539 11.971 -6.628 1.00 2.59 N ATOM 1434 CZ ARG A 101 -3.753 12.036 -5.317 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -4.816 11.440 -4.784 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -2.922 12.718 -4.541 1.00 4.30 N ATOM 0 H ARG A 101 -2.697 8.967 -9.981 1.00 1.20 H new ATOM 0 HA ARG A 101 -5.056 8.851 -8.490 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -4.332 10.525 -10.921 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -5.723 10.818 -9.896 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -2.822 10.876 -8.983 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -3.810 12.283 -9.323 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -5.392 11.629 -7.535 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -4.453 10.184 -7.214 1.00 1.91 H new ATOM 0 HE ARG A 101 -2.740 12.476 -7.010 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -5.469 10.932 -5.381 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -4.978 11.491 -3.778 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -2.117 13.194 -4.949 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -3.087 12.767 -3.536 1.00 4.30 H new ATOM 1450 N PRO A 102 -5.520 7.983 -11.698 1.00 1.08 N ATOM 1451 CA PRO A 102 -6.372 7.135 -12.538 1.00 1.12 C ATOM 1452 C PRO A 102 -6.446 5.694 -12.035 1.00 1.04 C ATOM 1453 O PRO A 102 -7.507 5.072 -12.093 1.00 1.11 O ATOM 1454 CB PRO A 102 -5.696 7.179 -13.912 1.00 1.21 C ATOM 1455 CG PRO A 102 -4.877 8.420 -13.899 1.00 1.23 C ATOM 1456 CD PRO A 102 -4.429 8.595 -12.480 1.00 1.12 C ATOM 0 HA PRO A 102 -7.402 7.491 -12.543 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -5.075 6.298 -14.075 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -6.434 7.201 -14.714 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -4.023 8.333 -14.571 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -5.460 9.278 -14.234 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -3.476 8.099 -12.296 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -4.295 9.647 -12.228 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.330 5.176 -11.516 1.00 0.95 N ATOM 1465 CA TRP A 103 -5.263 3.775 -11.090 1.00 0.93 C ATOM 1466 C TRP A 103 -6.346 3.452 -10.059 1.00 0.89 C ATOM 1467 O TRP A 103 -7.117 2.507 -10.238 1.00 0.97 O ATOM 1468 CB TRP A 103 -3.885 3.436 -10.490 1.00 0.95 C ATOM 1469 CG TRP A 103 -2.749 3.445 -11.472 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -2.834 3.487 -12.833 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -1.345 3.395 -11.159 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -1.576 3.482 -13.384 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.646 3.428 -12.378 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -0.611 3.337 -9.967 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 0.749 3.401 -12.441 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.772 3.311 -10.033 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.441 3.344 -11.263 1.00 0.69 C ATOM 0 H TRP A 103 -4.466 5.701 -11.381 1.00 0.95 H new ATOM 0 HA TRP A 103 -5.425 3.170 -11.982 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -3.665 4.149 -9.696 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -3.939 2.450 -10.028 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -3.756 3.519 -13.395 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -1.367 3.513 -14.382 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.115 3.313 -9.012 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 1.265 3.424 -13.390 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 1.345 3.264 -9.119 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.521 3.324 -11.281 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.427 4.253 -8.999 1.00 0.84 N ATOM 1489 CA LEU A 104 -7.338 3.950 -7.899 1.00 0.87 C ATOM 1490 C LEU A 104 -8.799 4.125 -8.299 1.00 1.03 C ATOM 1491 O LEU A 104 -9.654 3.351 -7.874 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.003 4.785 -6.648 1.00 0.92 C ATOM 1493 CG LEU A 104 -7.202 6.302 -6.764 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -8.613 6.706 -6.356 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -6.178 7.037 -5.918 1.00 1.78 C ATOM 0 H LEU A 104 -5.881 5.106 -8.879 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.196 2.898 -7.651 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -7.615 4.423 -5.822 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -5.963 4.597 -6.381 1.00 0.92 H new ATOM 0 HG LEU A 104 -7.061 6.580 -7.809 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -8.723 7.786 -6.449 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -9.335 6.210 -7.005 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -8.791 6.411 -5.322 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -6.333 8.112 -6.011 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -6.290 6.744 -4.874 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -5.174 6.784 -6.260 1.00 1.78 H new ATOM 1507 N LEU A 105 -9.094 5.123 -9.127 1.00 1.12 N ATOM 1508 CA LEU A 105 -10.480 5.410 -9.462 1.00 1.36 C ATOM 1509 C LEU A 105 -11.042 4.323 -10.367 1.00 1.52 C ATOM 1510 O LEU A 105 -12.214 3.962 -10.267 1.00 1.75 O ATOM 1511 CB LEU A 105 -10.636 6.821 -10.068 1.00 1.47 C ATOM 1512 CG LEU A 105 -9.843 7.129 -11.344 1.00 1.76 C ATOM 1513 CD1 LEU A 105 -10.601 6.679 -12.584 1.00 1.98 C ATOM 1514 CD2 LEU A 105 -9.531 8.617 -11.426 1.00 2.39 C ATOM 0 H LEU A 105 -8.407 5.733 -9.569 1.00 1.12 H new ATOM 0 HA LEU A 105 -11.066 5.407 -8.543 1.00 1.36 H new ATOM 0 HB2 LEU A 105 -11.693 6.982 -10.280 1.00 1.47 H new ATOM 0 HB3 LEU A 105 -10.349 7.548 -9.308 1.00 1.47 H new ATOM 0 HG LEU A 105 -8.906 6.573 -11.301 1.00 1.76 H new ATOM 0 HD11 LEU A 105 -10.014 6.910 -13.473 1.00 1.98 H new ATOM 0 HD12 LEU A 105 -10.775 5.604 -12.534 1.00 1.98 H new ATOM 0 HD13 LEU A 105 -11.557 7.200 -12.635 1.00 1.98 H new ATOM 0 HD21 LEU A 105 -8.968 8.821 -12.337 1.00 2.39 H new ATOM 0 HD22 LEU A 105 -10.462 9.184 -11.440 1.00 2.39 H new ATOM 0 HD23 LEU A 105 -8.939 8.913 -10.560 1.00 2.39 H new ATOM 1526 N GLU A 106 -10.196 3.796 -11.240 1.00 1.49 N ATOM 1527 CA GLU A 106 -10.592 2.710 -12.120 1.00 1.76 C ATOM 1528 C GLU A 106 -10.772 1.407 -11.351 1.00 1.76 C ATOM 1529 O GLU A 106 -11.759 0.695 -11.540 1.00 2.02 O ATOM 1530 CB GLU A 106 -9.560 2.504 -13.220 1.00 1.86 C ATOM 1531 CG GLU A 106 -9.365 3.708 -14.119 1.00 2.09 C ATOM 1532 CD GLU A 106 -8.472 3.396 -15.302 1.00 2.61 C ATOM 1533 OE1 GLU A 106 -8.138 2.206 -15.503 1.00 2.89 O ATOM 1534 OE2 GLU A 106 -8.111 4.330 -16.046 1.00 2.91 O ATOM 0 H GLU A 106 -9.231 4.104 -11.357 1.00 1.49 H new ATOM 0 HA GLU A 106 -11.547 2.989 -12.565 1.00 1.76 H new ATOM 0 HB2 GLU A 106 -8.604 2.247 -12.763 1.00 1.86 H new ATOM 0 HB3 GLU A 106 -9.861 1.653 -13.831 1.00 1.86 H new ATOM 0 HG2 GLU A 106 -10.335 4.053 -14.478 1.00 2.09 H new ATOM 0 HG3 GLU A 106 -8.930 4.524 -13.542 1.00 2.09 H new ATOM 1541 N ILE A 107 -9.815 1.094 -10.485 1.00 1.51 N ATOM 1542 CA ILE A 107 -9.807 -0.194 -9.804 1.00 1.56 C ATOM 1543 C ILE A 107 -10.812 -0.228 -8.652 1.00 1.62 C ATOM 1544 O ILE A 107 -11.248 -1.304 -8.240 1.00 1.82 O ATOM 1545 CB ILE A 107 -8.398 -0.541 -9.283 1.00 1.47 C ATOM 1546 CG1 ILE A 107 -8.291 -2.028 -8.941 1.00 1.98 C ATOM 1547 CG2 ILE A 107 -8.058 0.300 -8.068 1.00 2.24 C ATOM 1548 CD1 ILE A 107 -8.467 -2.942 -10.134 1.00 2.47 C ATOM 0 H ILE A 107 -9.040 1.710 -10.239 1.00 1.51 H new ATOM 0 HA ILE A 107 -10.103 -0.943 -10.538 1.00 1.56 H new ATOM 0 HB ILE A 107 -7.683 -0.319 -10.075 1.00 1.47 H new ATOM 0 HG12 ILE A 107 -7.317 -2.218 -8.489 1.00 1.98 H new ATOM 0 HG13 ILE A 107 -9.044 -2.274 -8.192 1.00 1.98 H new ATOM 0 HG21 ILE A 107 -7.060 0.041 -7.714 1.00 2.24 H new ATOM 0 HG22 ILE A 107 -8.085 1.356 -8.337 1.00 2.24 H new ATOM 0 HG23 ILE A 107 -8.784 0.108 -7.278 1.00 2.24 H new ATOM 0 HD11 ILE A 107 -8.378 -3.980 -9.813 1.00 2.47 H new ATOM 0 HD12 ILE A 107 -9.451 -2.781 -10.574 1.00 2.47 H new ATOM 0 HD13 ILE A 107 -7.698 -2.724 -10.876 1.00 2.47 H new ATOM 1560 N GLY A 108 -11.163 0.952 -8.133 1.00 1.55 N ATOM 1561 CA GLY A 108 -12.195 1.049 -7.113 1.00 1.84 C ATOM 1562 C GLY A 108 -13.466 0.326 -7.517 1.00 1.65 C ATOM 1563 O GLY A 108 -14.156 -0.247 -6.675 1.00 2.19 O ATOM 0 H GLY A 108 -10.748 1.843 -8.404 1.00 1.55 H new ATOM 0 HA2 GLY A 108 -11.821 0.630 -6.179 1.00 1.84 H new ATOM 0 HA3 GLY A 108 -12.420 2.099 -6.924 1.00 1.84 H new ATOM 1567 N PHE A 109 -13.779 0.384 -8.814 1.00 1.90 N ATOM 1568 CA PHE A 109 -14.846 -0.424 -9.415 1.00 2.74 C ATOM 1569 C PHE A 109 -16.237 -0.007 -8.922 1.00 3.47 C ATOM 1570 O PHE A 109 -17.238 -0.636 -9.261 1.00 4.14 O ATOM 1571 CB PHE A 109 -14.591 -1.912 -9.128 1.00 3.42 C ATOM 1572 CG PHE A 109 -15.264 -2.848 -10.085 1.00 4.00 C ATOM 1573 CD1 PHE A 109 -14.768 -3.032 -11.363 1.00 4.67 C ATOM 1574 CD2 PHE A 109 -16.399 -3.543 -9.703 1.00 4.33 C ATOM 1575 CE1 PHE A 109 -15.391 -3.892 -12.243 1.00 5.60 C ATOM 1576 CE2 PHE A 109 -17.027 -4.405 -10.579 1.00 5.24 C ATOM 1577 CZ PHE A 109 -16.497 -4.585 -11.863 1.00 5.86 C ATOM 0 H PHE A 109 -13.300 0.992 -9.478 1.00 1.90 H new ATOM 0 HA PHE A 109 -14.830 -0.253 -10.491 1.00 2.74 H new ATOM 0 HB2 PHE A 109 -13.517 -2.096 -9.153 1.00 3.42 H new ATOM 0 HB3 PHE A 109 -14.930 -2.138 -8.117 1.00 3.42 H new ATOM 0 HD1 PHE A 109 -13.884 -2.497 -11.675 1.00 4.67 H new ATOM 0 HD2 PHE A 109 -16.797 -3.409 -8.708 1.00 4.33 H new ATOM 0 HE1 PHE A 109 -14.997 -4.016 -13.241 1.00 5.60 H new ATOM 0 HE2 PHE A 109 -17.918 -4.935 -10.277 1.00 5.24 H new ATOM 0 HZ PHE A 109 -16.966 -5.273 -12.550 1.00 5.86 H new ATOM 1587 N SER A 110 -16.305 1.046 -8.120 1.00 3.90 N ATOM 1588 CA SER A 110 -17.576 1.555 -7.634 1.00 5.06 C ATOM 1589 C SER A 110 -17.453 3.041 -7.300 1.00 5.73 C ATOM 1590 O SER A 110 -17.365 3.855 -8.243 1.00 6.28 O ATOM 1591 CB SER A 110 -18.033 0.764 -6.401 1.00 5.62 C ATOM 1592 OG SER A 110 -18.207 -0.614 -6.711 1.00 5.57 O ATOM 0 H SER A 110 -15.491 1.565 -7.792 1.00 3.90 H new ATOM 0 HA SER A 110 -18.325 1.434 -8.417 1.00 5.06 H new ATOM 0 HB2 SER A 110 -17.297 0.870 -5.604 1.00 5.62 H new ATOM 0 HB3 SER A 110 -18.970 1.177 -6.027 1.00 5.62 H new ATOM 0 HG SER A 110 -18.002 -0.765 -7.657 1.00 5.57 H new TER 1598 SER A 110