USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 806 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 8 ASN : amide:sc= -0.632 K(o=0.43,f=0.94) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -157:sc= 1.06 (180deg=0.594) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.0178 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.4) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.581 (180deg=0.491) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.44) USER MOD Single : A 33 MET CE :methyl -168:sc= 0 (180deg=-0.031) USER MOD Single : A 37 LYS NZ :NH3+ -118:sc= -0.0133 (180deg=-0.534) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -169:sc= 0.682 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 0.284 (180deg=0.0137) USER MOD Single : A 49 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -82:sc= 0.063 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 64:sc= -0.21 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -0.0419 (180deg=-0.286) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= -0.0737 (180deg=-1.08) USER MOD Single : A 97 LYS NZ :NH3+ -139:sc= 1.74 (180deg=1.1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -86:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.551 -4.863 8.795 1.00 0.81 N ATOM 49 CA THR A 4 10.960 -5.278 8.776 1.00 0.62 C ATOM 50 C THR A 4 11.193 -6.473 9.702 1.00 0.83 C ATOM 51 O THR A 4 12.039 -7.311 9.403 1.00 1.20 O ATOM 52 CB THR A 4 11.830 -4.069 9.196 1.00 0.55 C ATOM 53 OG1 THR A 4 12.140 -3.319 8.048 1.00 0.72 O ATOM 54 CG2 THR A 4 13.127 -4.372 9.920 1.00 0.86 C ATOM 0 HA THR A 4 11.236 -5.597 7.771 1.00 0.62 H new ATOM 0 HB THR A 4 11.218 -3.536 9.923 1.00 0.55 H new ATOM 0 HG1 THR A 4 12.690 -2.548 8.300 1.00 0.72 H new ATOM 0 HG21 THR A 4 13.638 -3.439 10.156 1.00 0.86 H new ATOM 0 HG22 THR A 4 12.911 -4.911 10.842 1.00 0.86 H new ATOM 0 HG23 THR A 4 13.765 -4.984 9.283 1.00 0.86 H new ATOM 62 N ASP A 5 10.449 -6.543 10.815 1.00 0.77 N ATOM 63 CA ASP A 5 10.509 -7.638 11.784 1.00 0.90 C ATOM 64 C ASP A 5 9.422 -8.688 11.504 1.00 0.92 C ATOM 65 O ASP A 5 9.697 -9.884 11.484 1.00 1.14 O ATOM 66 CB ASP A 5 10.351 -7.021 13.182 1.00 0.94 C ATOM 67 CG ASP A 5 10.610 -8.038 14.291 1.00 1.27 C ATOM 68 OD1 ASP A 5 11.801 -8.358 14.499 1.00 1.91 O ATOM 69 OD2 ASP A 5 9.614 -8.449 14.925 1.00 2.09 O ATOM 0 H ASP A 5 9.774 -5.821 11.069 1.00 0.77 H new ATOM 0 HA ASP A 5 11.463 -8.161 11.710 1.00 0.90 H new ATOM 0 HB2 ASP A 5 11.042 -6.185 13.289 1.00 0.94 H new ATOM 0 HB3 ASP A 5 9.344 -6.618 13.288 1.00 0.94 H new ATOM 74 N LEU A 6 8.189 -8.229 11.244 1.00 0.89 N ATOM 75 CA LEU A 6 7.051 -9.078 10.889 1.00 1.02 C ATOM 76 C LEU A 6 7.153 -9.560 9.431 1.00 0.88 C ATOM 77 O LEU A 6 7.091 -10.755 9.126 1.00 0.98 O ATOM 78 CB LEU A 6 5.759 -8.268 11.117 1.00 1.26 C ATOM 79 CG LEU A 6 5.442 -7.833 12.566 1.00 1.45 C ATOM 80 CD1 LEU A 6 3.925 -7.667 12.725 1.00 1.94 C ATOM 81 CD2 LEU A 6 5.919 -8.797 13.659 1.00 2.13 C ATOM 0 H LEU A 6 7.954 -7.237 11.276 1.00 0.89 H new ATOM 0 HA LEU A 6 7.044 -9.970 11.516 1.00 1.02 H new ATOM 0 HB2 LEU A 6 5.809 -7.372 10.499 1.00 1.26 H new ATOM 0 HB3 LEU A 6 4.920 -8.861 10.751 1.00 1.26 H new ATOM 0 HG LEU A 6 5.991 -6.902 12.707 1.00 1.45 H new ATOM 0 HD11 LEU A 6 3.698 -7.360 13.746 1.00 1.94 H new ATOM 0 HD12 LEU A 6 3.567 -6.908 12.030 1.00 1.94 H new ATOM 0 HD13 LEU A 6 3.431 -8.615 12.513 1.00 1.94 H new ATOM 0 HD21 LEU A 6 5.648 -8.400 14.637 1.00 2.13 H new ATOM 0 HD22 LEU A 6 5.447 -9.769 13.518 1.00 2.13 H new ATOM 0 HD23 LEU A 6 7.002 -8.907 13.600 1.00 2.13 H new ATOM 93 N LEU A 7 7.335 -8.589 8.533 1.00 0.81 N ATOM 94 CA LEU A 7 7.607 -8.758 7.114 1.00 0.83 C ATOM 95 C LEU A 7 9.096 -9.013 6.840 1.00 1.06 C ATOM 96 O LEU A 7 9.964 -8.749 7.664 1.00 2.81 O ATOM 97 CB LEU A 7 7.133 -7.485 6.389 1.00 1.02 C ATOM 98 CG LEU A 7 5.818 -7.609 5.605 1.00 0.78 C ATOM 99 CD1 LEU A 7 5.996 -8.497 4.367 1.00 2.35 C ATOM 100 CD2 LEU A 7 4.671 -8.103 6.482 1.00 1.55 C ATOM 0 H LEU A 7 7.293 -7.605 8.799 1.00 0.81 H new ATOM 0 HA LEU A 7 7.072 -9.633 6.746 1.00 0.83 H new ATOM 0 HB2 LEU A 7 7.020 -6.691 7.127 1.00 1.02 H new ATOM 0 HB3 LEU A 7 7.916 -7.170 5.699 1.00 1.02 H new ATOM 0 HG LEU A 7 5.549 -6.608 5.266 1.00 0.78 H new ATOM 0 HD11 LEU A 7 5.050 -8.567 3.831 1.00 2.35 H new ATOM 0 HD12 LEU A 7 6.752 -8.062 3.713 1.00 2.35 H new ATOM 0 HD13 LEU A 7 6.313 -9.493 4.676 1.00 2.35 H new ATOM 0 HD21 LEU A 7 3.762 -8.175 5.885 1.00 1.55 H new ATOM 0 HD22 LEU A 7 4.919 -9.085 6.886 1.00 1.55 H new ATOM 0 HD23 LEU A 7 4.512 -7.403 7.302 1.00 1.55 H new ATOM 112 N ASN A 8 9.394 -9.497 5.632 1.00 0.88 N ATOM 113 CA ASN A 8 10.747 -9.710 5.129 1.00 0.86 C ATOM 114 C ASN A 8 11.278 -8.373 4.566 1.00 0.74 C ATOM 115 O ASN A 8 10.888 -7.970 3.472 1.00 0.74 O ATOM 116 CB ASN A 8 10.695 -10.832 4.061 1.00 0.93 C ATOM 117 CG ASN A 8 10.454 -12.260 4.561 1.00 1.30 C ATOM 118 OD1 ASN A 8 10.669 -13.235 3.853 1.00 2.77 O ATOM 119 ND2 ASN A 8 9.942 -12.448 5.764 1.00 1.83 N ATOM 0 H ASN A 8 8.675 -9.759 4.958 1.00 0.88 H new ATOM 0 HA ASN A 8 11.431 -10.029 5.915 1.00 0.86 H new ATOM 0 HB2 ASN A 8 9.907 -10.585 3.349 1.00 0.93 H new ATOM 0 HB3 ASN A 8 11.636 -10.820 3.512 1.00 0.93 H new ATOM 0 HD21 ASN A 8 9.733 -13.393 6.088 1.00 1.83 H new ATOM 0 HD22 ASN A 8 9.755 -11.649 6.369 1.00 1.83 H new ATOM 126 N ALA A 9 12.159 -7.673 5.300 1.00 0.70 N ATOM 127 CA ALA A 9 12.772 -6.406 4.869 1.00 0.67 C ATOM 128 C ALA A 9 13.382 -6.450 3.444 1.00 0.43 C ATOM 129 O ALA A 9 13.264 -5.494 2.676 1.00 0.48 O ATOM 130 CB ALA A 9 13.825 -6.002 5.909 1.00 0.86 C ATOM 0 H ALA A 9 12.470 -7.976 6.223 1.00 0.70 H new ATOM 0 HA ALA A 9 11.980 -5.659 4.807 1.00 0.67 H new ATOM 0 HB1 ALA A 9 14.292 -5.064 5.608 1.00 0.86 H new ATOM 0 HB2 ALA A 9 13.347 -5.874 6.880 1.00 0.86 H new ATOM 0 HB3 ALA A 9 14.585 -6.780 5.978 1.00 0.86 H new ATOM 136 N GLU A 10 13.984 -7.586 3.071 1.00 0.30 N ATOM 137 CA GLU A 10 14.524 -7.866 1.730 1.00 0.32 C ATOM 138 C GLU A 10 13.437 -7.878 0.645 1.00 0.30 C ATOM 139 O GLU A 10 13.615 -7.297 -0.428 1.00 0.46 O ATOM 140 CB GLU A 10 15.247 -9.223 1.771 1.00 0.47 C ATOM 141 CG GLU A 10 16.686 -9.088 2.287 1.00 1.29 C ATOM 142 CD GLU A 10 17.148 -10.371 2.984 1.00 1.81 C ATOM 143 OE1 GLU A 10 17.371 -11.370 2.265 1.00 2.21 O ATOM 144 OE2 GLU A 10 17.249 -10.335 4.230 1.00 3.18 O ATOM 0 H GLU A 10 14.114 -8.365 3.716 1.00 0.30 H new ATOM 0 HA GLU A 10 15.215 -7.066 1.466 1.00 0.32 H new ATOM 0 HB2 GLU A 10 14.694 -9.910 2.412 1.00 0.47 H new ATOM 0 HB3 GLU A 10 15.259 -9.659 0.772 1.00 0.47 H new ATOM 0 HG2 GLU A 10 17.354 -8.862 1.455 1.00 1.29 H new ATOM 0 HG3 GLU A 10 16.749 -8.251 2.982 1.00 1.29 H new ATOM 151 N ASP A 11 12.288 -8.501 0.935 1.00 0.30 N ATOM 152 CA ASP A 11 11.112 -8.462 0.070 1.00 0.36 C ATOM 153 C ASP A 11 10.520 -7.028 0.034 1.00 0.26 C ATOM 154 O ASP A 11 10.155 -6.555 -1.043 1.00 0.25 O ATOM 155 CB ASP A 11 10.103 -9.545 0.515 1.00 0.55 C ATOM 156 CG ASP A 11 10.424 -11.013 0.156 1.00 1.20 C ATOM 157 OD1 ASP A 11 11.292 -11.231 -0.721 1.00 2.49 O ATOM 158 OD2 ASP A 11 9.750 -11.914 0.729 1.00 1.88 O ATOM 0 H ASP A 11 12.152 -9.049 1.784 1.00 0.30 H new ATOM 0 HA ASP A 11 11.387 -8.698 -0.958 1.00 0.36 H new ATOM 0 HB2 ASP A 11 9.996 -9.480 1.598 1.00 0.55 H new ATOM 0 HB3 ASP A 11 9.133 -9.298 0.083 1.00 0.55 H new ATOM 163 N ILE A 12 10.517 -6.274 1.153 1.00 0.26 N ATOM 164 CA ILE A 12 10.179 -4.830 1.187 1.00 0.27 C ATOM 165 C ILE A 12 11.037 -4.000 0.230 1.00 0.25 C ATOM 166 O ILE A 12 10.487 -3.160 -0.480 1.00 0.29 O ATOM 167 CB ILE A 12 10.172 -4.257 2.633 1.00 0.35 C ATOM 168 CG1 ILE A 12 8.736 -4.140 3.189 1.00 0.49 C ATOM 169 CG2 ILE A 12 10.801 -2.866 2.785 1.00 0.43 C ATOM 170 CD1 ILE A 12 8.308 -5.453 3.816 1.00 0.59 C ATOM 0 H ILE A 12 10.752 -6.652 2.071 1.00 0.26 H new ATOM 0 HA ILE A 12 9.156 -4.748 0.820 1.00 0.27 H new ATOM 0 HB ILE A 12 10.776 -4.977 3.185 1.00 0.35 H new ATOM 0 HG12 ILE A 12 8.689 -3.342 3.930 1.00 0.49 H new ATOM 0 HG13 ILE A 12 8.049 -3.871 2.387 1.00 0.49 H new ATOM 0 HG21 ILE A 12 10.748 -2.555 3.828 1.00 0.43 H new ATOM 0 HG22 ILE A 12 11.844 -2.902 2.470 1.00 0.43 H new ATOM 0 HG23 ILE A 12 10.259 -2.152 2.165 1.00 0.43 H new ATOM 0 HD11 ILE A 12 7.294 -5.357 4.204 1.00 0.59 H new ATOM 0 HD12 ILE A 12 8.336 -6.241 3.064 1.00 0.59 H new ATOM 0 HD13 ILE A 12 8.986 -5.705 4.631 1.00 0.59 H new ATOM 182 N LYS A 13 12.351 -4.237 0.150 1.00 0.29 N ATOM 183 CA LYS A 13 13.220 -3.577 -0.831 1.00 0.36 C ATOM 184 C LYS A 13 12.666 -3.718 -2.262 1.00 0.39 C ATOM 185 O LYS A 13 12.603 -2.733 -2.999 1.00 0.46 O ATOM 186 CB LYS A 13 14.672 -4.065 -0.618 1.00 0.47 C ATOM 187 CG LYS A 13 15.484 -4.346 -1.888 1.00 1.13 C ATOM 188 CD LYS A 13 15.813 -3.093 -2.714 1.00 1.84 C ATOM 189 CE LYS A 13 15.498 -3.327 -4.199 1.00 3.16 C ATOM 190 NZ LYS A 13 16.274 -2.423 -5.079 1.00 3.98 N ATOM 0 H LYS A 13 12.841 -4.890 0.762 1.00 0.29 H new ATOM 0 HA LYS A 13 13.236 -2.498 -0.677 1.00 0.36 H new ATOM 0 HB2 LYS A 13 15.203 -3.316 -0.031 1.00 0.47 H new ATOM 0 HB3 LYS A 13 14.643 -4.976 -0.021 1.00 0.47 H new ATOM 0 HG2 LYS A 13 16.415 -4.839 -1.609 1.00 1.13 H new ATOM 0 HG3 LYS A 13 14.929 -5.045 -2.514 1.00 1.13 H new ATOM 0 HD2 LYS A 13 15.237 -2.245 -2.344 1.00 1.84 H new ATOM 0 HD3 LYS A 13 16.866 -2.839 -2.596 1.00 1.84 H new ATOM 0 HE2 LYS A 13 15.719 -4.363 -4.458 1.00 3.16 H new ATOM 0 HE3 LYS A 13 14.433 -3.175 -4.372 1.00 3.16 H new ATOM 0 HZ1 LYS A 13 16.032 -2.613 -6.072 1.00 3.98 H new ATOM 0 HZ2 LYS A 13 16.045 -1.435 -4.850 1.00 3.98 H new ATOM 0 HZ3 LYS A 13 17.291 -2.585 -4.933 1.00 3.98 H new ATOM 204 N LYS A 14 12.234 -4.924 -2.653 1.00 0.38 N ATOM 205 CA LYS A 14 11.596 -5.187 -3.956 1.00 0.43 C ATOM 206 C LYS A 14 10.176 -4.635 -4.057 1.00 0.43 C ATOM 207 O LYS A 14 9.773 -4.231 -5.144 1.00 0.50 O ATOM 208 CB LYS A 14 11.632 -6.693 -4.241 1.00 0.49 C ATOM 209 CG LYS A 14 12.990 -7.083 -4.848 1.00 0.84 C ATOM 210 CD LYS A 14 13.319 -8.566 -4.662 1.00 1.25 C ATOM 211 CE LYS A 14 12.229 -9.488 -5.220 1.00 2.33 C ATOM 212 NZ LYS A 14 12.539 -10.907 -4.935 1.00 3.25 N ATOM 0 H LYS A 14 12.317 -5.756 -2.069 1.00 0.38 H new ATOM 0 HA LYS A 14 12.167 -4.654 -4.717 1.00 0.43 H new ATOM 0 HB2 LYS A 14 11.463 -7.250 -3.319 1.00 0.49 H new ATOM 0 HB3 LYS A 14 10.828 -6.961 -4.927 1.00 0.49 H new ATOM 0 HG2 LYS A 14 12.988 -6.847 -5.912 1.00 0.84 H new ATOM 0 HG3 LYS A 14 13.774 -6.481 -4.389 1.00 0.84 H new ATOM 0 HD2 LYS A 14 14.265 -8.789 -5.155 1.00 1.25 H new ATOM 0 HD3 LYS A 14 13.456 -8.773 -3.601 1.00 1.25 H new ATOM 0 HE2 LYS A 14 11.266 -9.227 -4.780 1.00 2.33 H new ATOM 0 HE3 LYS A 14 12.139 -9.341 -6.296 1.00 2.33 H new ATOM 0 HZ1 LYS A 14 11.787 -11.511 -5.323 1.00 3.25 H new ATOM 0 HZ2 LYS A 14 13.447 -11.159 -5.375 1.00 3.25 H new ATOM 0 HZ3 LYS A 14 12.602 -11.049 -3.907 1.00 3.25 H new ATOM 226 N ALA A 15 9.456 -4.549 -2.940 1.00 0.40 N ATOM 227 CA ALA A 15 8.177 -3.860 -2.835 1.00 0.45 C ATOM 228 C ALA A 15 8.306 -2.382 -3.195 1.00 0.38 C ATOM 229 O ALA A 15 7.713 -1.924 -4.168 1.00 0.38 O ATOM 230 CB ALA A 15 7.637 -4.022 -1.416 1.00 0.51 C ATOM 0 H ALA A 15 9.757 -4.969 -2.061 1.00 0.40 H new ATOM 0 HA ALA A 15 7.481 -4.305 -3.546 1.00 0.45 H new ATOM 0 HB1 ALA A 15 6.679 -3.508 -1.330 1.00 0.51 H new ATOM 0 HB2 ALA A 15 7.502 -5.081 -1.197 1.00 0.51 H new ATOM 0 HB3 ALA A 15 8.344 -3.592 -0.706 1.00 0.51 H new ATOM 236 N VAL A 16 9.112 -1.626 -2.439 1.00 0.35 N ATOM 237 CA VAL A 16 9.324 -0.203 -2.713 1.00 0.32 C ATOM 238 C VAL A 16 9.831 -0.015 -4.149 1.00 0.30 C ATOM 239 O VAL A 16 9.348 0.868 -4.850 1.00 0.34 O ATOM 240 CB VAL A 16 10.260 0.448 -1.678 1.00 0.32 C ATOM 241 CG1 VAL A 16 10.205 1.962 -1.840 1.00 0.60 C ATOM 242 CG2 VAL A 16 9.842 0.189 -0.223 1.00 0.69 C ATOM 0 H VAL A 16 9.628 -1.978 -1.633 1.00 0.35 H new ATOM 0 HA VAL A 16 8.367 0.311 -2.621 1.00 0.32 H new ATOM 0 HB VAL A 16 11.244 0.016 -1.859 1.00 0.32 H new ATOM 0 HG11 VAL A 16 10.865 2.430 -1.110 1.00 0.60 H new ATOM 0 HG12 VAL A 16 10.526 2.232 -2.846 1.00 0.60 H new ATOM 0 HG13 VAL A 16 9.184 2.308 -1.680 1.00 0.60 H new ATOM 0 HG21 VAL A 16 10.547 0.677 0.450 1.00 0.69 H new ATOM 0 HG22 VAL A 16 8.842 0.590 -0.055 1.00 0.69 H new ATOM 0 HG23 VAL A 16 9.840 -0.884 -0.030 1.00 0.69 H new ATOM 252 N GLY A 17 10.685 -0.933 -4.629 1.00 0.30 N ATOM 253 CA GLY A 17 11.177 -1.012 -6.006 1.00 0.35 C ATOM 254 C GLY A 17 10.124 -1.334 -7.079 1.00 0.41 C ATOM 255 O GLY A 17 10.473 -1.386 -8.255 1.00 0.81 O ATOM 0 H GLY A 17 11.066 -1.672 -4.038 1.00 0.30 H new ATOM 0 HA2 GLY A 17 11.646 -0.061 -6.259 1.00 0.35 H new ATOM 0 HA3 GLY A 17 11.956 -1.773 -6.050 1.00 0.35 H new ATOM 259 N ALA A 18 8.860 -1.562 -6.703 1.00 0.38 N ATOM 260 CA ALA A 18 7.734 -1.781 -7.609 1.00 0.40 C ATOM 261 C ALA A 18 6.882 -0.514 -7.798 1.00 0.41 C ATOM 262 O ALA A 18 6.435 -0.248 -8.910 1.00 0.61 O ATOM 263 CB ALA A 18 6.898 -2.943 -7.061 1.00 0.50 C ATOM 0 H ALA A 18 8.587 -1.600 -5.721 1.00 0.38 H new ATOM 0 HA ALA A 18 8.115 -2.030 -8.599 1.00 0.40 H new ATOM 0 HB1 ALA A 18 6.051 -3.125 -7.722 1.00 0.50 H new ATOM 0 HB2 ALA A 18 7.514 -3.840 -7.006 1.00 0.50 H new ATOM 0 HB3 ALA A 18 6.534 -2.691 -6.065 1.00 0.50 H new ATOM 269 N PHE A 19 6.682 0.283 -6.737 1.00 0.43 N ATOM 270 CA PHE A 19 5.995 1.583 -6.803 1.00 0.49 C ATOM 271 C PHE A 19 6.963 2.774 -7.002 1.00 0.56 C ATOM 272 O PHE A 19 6.494 3.903 -7.110 1.00 0.74 O ATOM 273 CB PHE A 19 5.192 1.822 -5.512 1.00 0.49 C ATOM 274 CG PHE A 19 4.056 0.881 -5.138 1.00 0.48 C ATOM 275 CD1 PHE A 19 3.218 0.308 -6.110 1.00 1.51 C ATOM 276 CD2 PHE A 19 3.758 0.678 -3.776 1.00 1.79 C ATOM 277 CE1 PHE A 19 2.124 -0.481 -5.708 1.00 1.53 C ATOM 278 CE2 PHE A 19 2.654 -0.094 -3.375 1.00 1.79 C ATOM 279 CZ PHE A 19 1.851 -0.699 -4.349 1.00 0.56 C ATOM 0 H PHE A 19 6.996 0.040 -5.798 1.00 0.43 H new ATOM 0 HA PHE A 19 5.339 1.535 -7.672 1.00 0.49 H new ATOM 0 HB2 PHE A 19 5.901 1.820 -4.684 1.00 0.49 H new ATOM 0 HB3 PHE A 19 4.774 2.827 -5.571 1.00 0.49 H new ATOM 0 HD1 PHE A 19 3.412 0.472 -7.160 1.00 1.51 H new ATOM 0 HD2 PHE A 19 4.391 1.125 -3.024 1.00 1.79 H new ATOM 0 HE1 PHE A 19 1.485 -0.925 -6.457 1.00 1.53 H new ATOM 0 HE2 PHE A 19 2.428 -0.219 -2.326 1.00 1.79 H new ATOM 0 HZ PHE A 19 1.025 -1.330 -4.056 1.00 0.56 H new ATOM 289 N SER A 20 8.293 2.569 -7.037 1.00 0.53 N ATOM 290 CA SER A 20 9.343 3.602 -7.175 1.00 0.67 C ATOM 291 C SER A 20 9.387 4.271 -8.566 1.00 0.76 C ATOM 292 O SER A 20 10.441 4.341 -9.202 1.00 0.96 O ATOM 293 CB SER A 20 10.713 2.992 -6.838 1.00 0.74 C ATOM 294 OG SER A 20 11.036 1.957 -7.747 1.00 2.47 O ATOM 0 H SER A 20 8.687 1.631 -6.966 1.00 0.53 H new ATOM 0 HA SER A 20 9.091 4.395 -6.470 1.00 0.67 H new ATOM 0 HB2 SER A 20 11.480 3.766 -6.873 1.00 0.74 H new ATOM 0 HB3 SER A 20 10.702 2.600 -5.821 1.00 0.74 H new ATOM 0 HG SER A 20 11.971 1.691 -7.621 1.00 2.47 H new ATOM 300 N ALA A 21 8.234 4.715 -9.062 1.00 0.67 N ATOM 301 CA ALA A 21 7.991 5.249 -10.395 1.00 0.79 C ATOM 302 C ALA A 21 6.838 6.273 -10.345 1.00 0.77 C ATOM 303 O ALA A 21 6.469 6.748 -9.273 1.00 1.40 O ATOM 304 CB ALA A 21 7.693 4.056 -11.315 1.00 0.88 C ATOM 0 H ALA A 21 7.384 4.709 -8.498 1.00 0.67 H new ATOM 0 HA ALA A 21 8.856 5.785 -10.785 1.00 0.79 H new ATOM 0 HB1 ALA A 21 7.505 4.415 -12.327 1.00 0.88 H new ATOM 0 HB2 ALA A 21 8.548 3.380 -11.323 1.00 0.88 H new ATOM 0 HB3 ALA A 21 6.814 3.525 -10.949 1.00 0.88 H new ATOM 310 N THR A 22 6.288 6.641 -11.507 1.00 0.55 N ATOM 311 CA THR A 22 5.157 7.564 -11.639 1.00 0.61 C ATOM 312 C THR A 22 4.080 6.944 -12.532 1.00 1.21 C ATOM 313 O THR A 22 4.340 6.566 -13.671 1.00 3.03 O ATOM 314 CB THR A 22 5.623 8.935 -12.163 1.00 0.83 C ATOM 315 OG1 THR A 22 6.400 8.822 -13.334 1.00 1.41 O ATOM 316 CG2 THR A 22 6.478 9.671 -11.130 1.00 1.54 C ATOM 0 H THR A 22 6.627 6.296 -12.405 1.00 0.55 H new ATOM 0 HA THR A 22 4.720 7.735 -10.655 1.00 0.61 H new ATOM 0 HB THR A 22 4.708 9.489 -12.373 1.00 0.83 H new ATOM 0 HG1 THR A 22 5.987 8.171 -13.939 1.00 1.41 H new ATOM 0 HG21 THR A 22 6.789 10.634 -11.535 1.00 1.54 H new ATOM 0 HG22 THR A 22 5.896 9.829 -10.222 1.00 1.54 H new ATOM 0 HG23 THR A 22 7.360 9.074 -10.896 1.00 1.54 H new ATOM 324 N ASP A 23 2.878 6.774 -11.972 1.00 0.55 N ATOM 325 CA ASP A 23 1.693 6.088 -12.525 1.00 0.54 C ATOM 326 C ASP A 23 1.852 4.569 -12.736 1.00 0.55 C ATOM 327 O ASP A 23 0.878 3.875 -13.016 1.00 0.81 O ATOM 328 CB ASP A 23 1.210 6.788 -13.805 1.00 0.72 C ATOM 329 CG ASP A 23 -0.300 6.685 -14.070 1.00 2.34 C ATOM 330 OD1 ASP A 23 -1.062 6.456 -13.103 1.00 3.78 O ATOM 331 OD2 ASP A 23 -0.694 6.987 -15.218 1.00 3.20 O ATOM 0 H ASP A 23 2.687 7.142 -11.040 1.00 0.55 H new ATOM 0 HA ASP A 23 0.927 6.172 -11.754 1.00 0.54 H new ATOM 0 HB2 ASP A 23 1.483 7.842 -13.750 1.00 0.72 H new ATOM 0 HB3 ASP A 23 1.743 6.364 -14.656 1.00 0.72 H new ATOM 336 N SER A 24 3.058 4.019 -12.556 1.00 0.54 N ATOM 337 CA SER A 24 3.380 2.601 -12.756 1.00 0.66 C ATOM 338 C SER A 24 2.938 1.745 -11.557 1.00 0.75 C ATOM 339 O SER A 24 3.655 0.839 -11.125 1.00 1.43 O ATOM 340 CB SER A 24 4.882 2.466 -13.040 1.00 0.82 C ATOM 341 OG SER A 24 5.163 1.303 -13.792 1.00 1.42 O ATOM 0 H SER A 24 3.864 4.567 -12.257 1.00 0.54 H new ATOM 0 HA SER A 24 2.825 2.223 -13.615 1.00 0.66 H new ATOM 0 HB2 SER A 24 5.232 3.345 -13.582 1.00 0.82 H new ATOM 0 HB3 SER A 24 5.430 2.433 -12.098 1.00 0.82 H new ATOM 0 HG SER A 24 6.127 1.246 -13.958 1.00 1.42 H new ATOM 347 N PHE A 25 1.780 2.067 -10.968 1.00 0.56 N ATOM 348 CA PHE A 25 1.350 1.476 -9.710 1.00 0.56 C ATOM 349 C PHE A 25 0.970 0.015 -9.906 1.00 0.74 C ATOM 350 O PHE A 25 0.197 -0.309 -10.809 1.00 1.78 O ATOM 351 CB PHE A 25 0.126 2.189 -9.135 1.00 0.69 C ATOM 352 CG PHE A 25 -0.026 1.974 -7.645 1.00 0.98 C ATOM 353 CD1 PHE A 25 0.805 2.681 -6.756 1.00 2.26 C ATOM 354 CD2 PHE A 25 -0.963 1.051 -7.147 1.00 1.43 C ATOM 355 CE1 PHE A 25 0.694 2.473 -5.370 1.00 2.59 C ATOM 356 CE2 PHE A 25 -1.064 0.841 -5.761 1.00 1.52 C ATOM 357 CZ PHE A 25 -0.247 1.558 -4.872 1.00 1.68 C ATOM 0 H PHE A 25 1.121 2.743 -11.354 1.00 0.56 H new ATOM 0 HA PHE A 25 2.190 1.573 -9.023 1.00 0.56 H new ATOM 0 HB2 PHE A 25 0.204 3.257 -9.338 1.00 0.69 H new ATOM 0 HB3 PHE A 25 -0.770 1.832 -9.643 1.00 0.69 H new ATOM 0 HD1 PHE A 25 1.529 3.385 -7.139 1.00 2.26 H new ATOM 0 HD2 PHE A 25 -1.602 0.506 -7.826 1.00 1.43 H new ATOM 0 HE1 PHE A 25 1.332 3.017 -4.689 1.00 2.59 H new ATOM 0 HE2 PHE A 25 -1.774 0.124 -5.377 1.00 1.52 H new ATOM 0 HZ PHE A 25 -0.342 1.406 -3.807 1.00 1.68 H new ATOM 367 N ASP A 26 1.447 -0.863 -9.025 1.00 0.68 N ATOM 368 CA ASP A 26 1.187 -2.283 -9.188 1.00 0.69 C ATOM 369 C ASP A 26 0.927 -3.016 -7.865 1.00 0.60 C ATOM 370 O ASP A 26 1.767 -3.766 -7.374 1.00 0.69 O ATOM 371 CB ASP A 26 2.293 -2.886 -10.078 1.00 0.82 C ATOM 372 CG ASP A 26 1.668 -3.874 -11.056 1.00 1.51 C ATOM 373 OD1 ASP A 26 0.650 -4.489 -10.678 1.00 2.72 O ATOM 374 OD2 ASP A 26 2.208 -4.128 -12.152 1.00 2.36 O ATOM 0 H ASP A 26 2.005 -0.618 -8.207 1.00 0.68 H new ATOM 0 HA ASP A 26 0.239 -2.425 -9.706 1.00 0.69 H new ATOM 0 HB2 ASP A 26 2.810 -2.095 -10.622 1.00 0.82 H new ATOM 0 HB3 ASP A 26 3.038 -3.389 -9.462 1.00 0.82 H new ATOM 379 N HIS A 27 -0.255 -2.781 -7.274 1.00 0.60 N ATOM 380 CA HIS A 27 -0.681 -3.315 -5.973 1.00 0.61 C ATOM 381 C HIS A 27 -0.430 -4.822 -5.857 1.00 0.48 C ATOM 382 O HIS A 27 0.275 -5.258 -4.950 1.00 0.46 O ATOM 383 CB HIS A 27 -2.149 -2.944 -5.679 1.00 0.75 C ATOM 384 CG HIS A 27 -3.124 -3.174 -6.809 1.00 1.60 C ATOM 385 ND1 HIS A 27 -3.446 -2.271 -7.802 1.00 2.81 N ATOM 386 CD2 HIS A 27 -3.874 -4.300 -7.018 1.00 2.92 C ATOM 387 CE1 HIS A 27 -4.345 -2.861 -8.609 1.00 3.52 C ATOM 388 NE2 HIS A 27 -4.627 -4.097 -8.173 1.00 3.59 N ATOM 0 H HIS A 27 -0.966 -2.191 -7.706 1.00 0.60 H new ATOM 0 HA HIS A 27 -0.065 -2.845 -5.207 1.00 0.61 H new ATOM 0 HB2 HIS A 27 -2.483 -3.517 -4.814 1.00 0.75 H new ATOM 0 HB3 HIS A 27 -2.189 -1.891 -5.398 1.00 0.75 H new ATOM 0 HD2 HIS A 27 -3.881 -5.185 -6.400 1.00 2.92 H new ATOM 0 HE1 HIS A 27 -4.779 -2.403 -9.486 1.00 3.52 H new ATOM 0 HE2 HIS A 27 -5.270 -4.762 -8.604 1.00 3.59 H new ATOM 396 N LYS A 28 -0.951 -5.607 -6.807 1.00 0.52 N ATOM 397 CA LYS A 28 -0.660 -7.037 -6.961 1.00 0.60 C ATOM 398 C LYS A 28 0.833 -7.338 -6.964 1.00 0.52 C ATOM 399 O LYS A 28 1.294 -8.076 -6.098 1.00 0.72 O ATOM 400 CB LYS A 28 -1.327 -7.628 -8.212 1.00 0.84 C ATOM 401 CG LYS A 28 -1.441 -6.695 -9.430 1.00 1.35 C ATOM 402 CD LYS A 28 -1.213 -7.397 -10.787 1.00 2.46 C ATOM 403 CE LYS A 28 0.249 -7.430 -11.262 1.00 3.75 C ATOM 404 NZ LYS A 28 0.487 -6.477 -12.373 1.00 4.64 N ATOM 0 H LYS A 28 -1.604 -5.256 -7.508 1.00 0.52 H new ATOM 0 HA LYS A 28 -1.089 -7.521 -6.083 1.00 0.60 H new ATOM 0 HB2 LYS A 28 -0.768 -8.514 -8.511 1.00 0.84 H new ATOM 0 HB3 LYS A 28 -2.329 -7.960 -7.941 1.00 0.84 H new ATOM 0 HG2 LYS A 28 -2.430 -6.237 -9.432 1.00 1.35 H new ATOM 0 HG3 LYS A 28 -0.716 -5.888 -9.325 1.00 1.35 H new ATOM 0 HD2 LYS A 28 -1.580 -8.421 -10.716 1.00 2.46 H new ATOM 0 HD3 LYS A 28 -1.815 -6.895 -11.545 1.00 2.46 H new ATOM 0 HE2 LYS A 28 0.908 -7.188 -10.428 1.00 3.75 H new ATOM 0 HE3 LYS A 28 0.503 -8.439 -11.587 1.00 3.75 H new ATOM 0 HZ1 LYS A 28 1.497 -6.478 -12.621 1.00 4.64 H new ATOM 0 HZ2 LYS A 28 -0.073 -6.763 -13.201 1.00 4.64 H new ATOM 0 HZ3 LYS A 28 0.204 -5.521 -12.077 1.00 4.64 H new ATOM 418 N LYS A 29 1.582 -6.786 -7.929 1.00 0.44 N ATOM 419 CA LYS A 29 3.006 -7.081 -8.121 1.00 0.46 C ATOM 420 C LYS A 29 3.804 -6.750 -6.865 1.00 0.38 C ATOM 421 O LYS A 29 4.577 -7.587 -6.416 1.00 0.42 O ATOM 422 CB LYS A 29 3.540 -6.315 -9.338 1.00 0.64 C ATOM 423 CG LYS A 29 4.168 -7.233 -10.389 1.00 0.75 C ATOM 424 CD LYS A 29 4.623 -6.393 -11.588 1.00 1.50 C ATOM 425 CE LYS A 29 5.232 -7.244 -12.696 1.00 1.76 C ATOM 426 NZ LYS A 29 6.620 -7.649 -12.381 1.00 2.67 N ATOM 0 H LYS A 29 1.212 -6.116 -8.603 1.00 0.44 H new ATOM 0 HA LYS A 29 3.121 -8.148 -8.309 1.00 0.46 H new ATOM 0 HB2 LYS A 29 2.725 -5.753 -9.794 1.00 0.64 H new ATOM 0 HB3 LYS A 29 4.282 -5.588 -9.007 1.00 0.64 H new ATOM 0 HG2 LYS A 29 5.017 -7.767 -9.962 1.00 0.75 H new ATOM 0 HG3 LYS A 29 3.447 -7.985 -10.710 1.00 0.75 H new ATOM 0 HD2 LYS A 29 3.772 -5.840 -11.985 1.00 1.50 H new ATOM 0 HD3 LYS A 29 5.355 -5.657 -11.256 1.00 1.50 H new ATOM 0 HE2 LYS A 29 4.620 -8.133 -12.849 1.00 1.76 H new ATOM 0 HE3 LYS A 29 5.220 -6.685 -13.631 1.00 1.76 H new ATOM 0 HZ1 LYS A 29 6.998 -8.226 -13.159 1.00 2.67 H new ATOM 0 HZ2 LYS A 29 7.210 -6.801 -12.260 1.00 2.67 H new ATOM 0 HZ3 LYS A 29 6.628 -8.205 -11.502 1.00 2.67 H new ATOM 440 N PHE A 30 3.546 -5.583 -6.268 1.00 0.35 N ATOM 441 CA PHE A 30 4.044 -5.180 -4.959 1.00 0.33 C ATOM 442 C PHE A 30 3.753 -6.265 -3.919 1.00 0.32 C ATOM 443 O PHE A 30 4.703 -6.869 -3.434 1.00 0.42 O ATOM 444 CB PHE A 30 3.448 -3.818 -4.576 1.00 0.37 C ATOM 445 CG PHE A 30 3.978 -3.229 -3.283 1.00 0.45 C ATOM 446 CD1 PHE A 30 3.530 -3.693 -2.032 1.00 1.80 C ATOM 447 CD2 PHE A 30 4.902 -2.174 -3.331 1.00 2.08 C ATOM 448 CE1 PHE A 30 4.025 -3.123 -0.850 1.00 1.81 C ATOM 449 CE2 PHE A 30 5.376 -1.581 -2.149 1.00 2.16 C ATOM 450 CZ PHE A 30 4.946 -2.065 -0.907 1.00 0.77 C ATOM 0 H PHE A 30 2.962 -4.869 -6.704 1.00 0.35 H new ATOM 0 HA PHE A 30 5.127 -5.064 -4.995 1.00 0.33 H new ATOM 0 HB2 PHE A 30 3.641 -3.113 -5.385 1.00 0.37 H new ATOM 0 HB3 PHE A 30 2.366 -3.921 -4.494 1.00 0.37 H new ATOM 0 HD1 PHE A 30 2.803 -4.490 -1.982 1.00 1.80 H new ATOM 0 HD2 PHE A 30 5.253 -1.814 -4.287 1.00 2.08 H new ATOM 0 HE1 PHE A 30 3.696 -3.499 0.108 1.00 1.81 H new ATOM 0 HE2 PHE A 30 6.070 -0.755 -2.198 1.00 2.16 H new ATOM 0 HZ PHE A 30 5.322 -1.625 0.005 1.00 0.77 H new ATOM 460 N PHE A 31 2.474 -6.538 -3.608 1.00 0.30 N ATOM 461 CA PHE A 31 2.039 -7.481 -2.564 1.00 0.29 C ATOM 462 C PHE A 31 2.507 -8.927 -2.786 1.00 0.26 C ATOM 463 O PHE A 31 2.649 -9.679 -1.818 1.00 0.33 O ATOM 464 CB PHE A 31 0.518 -7.441 -2.402 1.00 0.41 C ATOM 465 CG PHE A 31 0.015 -6.435 -1.377 1.00 0.61 C ATOM 466 CD1 PHE A 31 0.121 -5.052 -1.615 1.00 2.26 C ATOM 467 CD2 PHE A 31 -0.611 -6.884 -0.197 1.00 1.78 C ATOM 468 CE1 PHE A 31 -0.346 -4.128 -0.663 1.00 2.44 C ATOM 469 CE2 PHE A 31 -1.095 -5.965 0.750 1.00 1.79 C ATOM 470 CZ PHE A 31 -0.950 -4.586 0.522 1.00 1.12 C ATOM 0 H PHE A 31 1.692 -6.095 -4.090 1.00 0.30 H new ATOM 0 HA PHE A 31 2.522 -7.144 -1.647 1.00 0.29 H new ATOM 0 HB2 PHE A 31 0.069 -7.210 -3.368 1.00 0.41 H new ATOM 0 HB3 PHE A 31 0.170 -8.434 -2.118 1.00 0.41 H new ATOM 0 HD1 PHE A 31 0.564 -4.698 -2.534 1.00 2.26 H new ATOM 0 HD2 PHE A 31 -0.720 -7.944 -0.019 1.00 1.78 H new ATOM 0 HE1 PHE A 31 -0.241 -3.068 -0.842 1.00 2.44 H new ATOM 0 HE2 PHE A 31 -1.577 -6.318 1.650 1.00 1.79 H new ATOM 0 HZ PHE A 31 -1.302 -3.877 1.257 1.00 1.12 H new ATOM 480 N GLN A 32 2.765 -9.306 -4.038 1.00 0.25 N ATOM 481 CA GLN A 32 3.379 -10.569 -4.431 1.00 0.31 C ATOM 482 C GLN A 32 4.902 -10.536 -4.192 1.00 0.33 C ATOM 483 O GLN A 32 5.402 -11.358 -3.426 1.00 0.34 O ATOM 484 CB GLN A 32 3.001 -10.855 -5.898 1.00 0.42 C ATOM 485 CG GLN A 32 1.495 -11.174 -6.048 1.00 0.56 C ATOM 486 CD GLN A 32 0.938 -10.947 -7.457 1.00 1.03 C ATOM 487 OE1 GLN A 32 1.641 -10.707 -8.427 1.00 2.10 O ATOM 488 NE2 GLN A 32 -0.371 -11.007 -7.624 1.00 1.12 N ATOM 0 H GLN A 32 2.541 -8.714 -4.838 1.00 0.25 H new ATOM 0 HA GLN A 32 3.004 -11.387 -3.816 1.00 0.31 H new ATOM 0 HB2 GLN A 32 3.253 -9.992 -6.514 1.00 0.42 H new ATOM 0 HB3 GLN A 32 3.590 -11.694 -6.269 1.00 0.42 H new ATOM 0 HG2 GLN A 32 1.326 -12.214 -5.767 1.00 0.56 H new ATOM 0 HG3 GLN A 32 0.934 -10.559 -5.345 1.00 0.56 H new ATOM 0 HE21 GLN A 32 -0.978 -11.206 -6.829 1.00 1.12 H new ATOM 0 HE22 GLN A 32 -0.775 -10.854 -8.548 1.00 1.12 H new ATOM 497 N MET A 33 5.641 -9.581 -4.779 1.00 0.40 N ATOM 498 CA MET A 33 7.106 -9.442 -4.623 1.00 0.50 C ATOM 499 C MET A 33 7.558 -9.219 -3.171 1.00 0.52 C ATOM 500 O MET A 33 8.564 -9.791 -2.759 1.00 0.60 O ATOM 501 CB MET A 33 7.681 -8.304 -5.498 1.00 0.62 C ATOM 502 CG MET A 33 8.182 -8.774 -6.874 1.00 0.91 C ATOM 503 SD MET A 33 7.197 -8.300 -8.321 1.00 1.96 S ATOM 504 CE MET A 33 7.790 -6.603 -8.564 1.00 2.23 C ATOM 0 H MET A 33 5.235 -8.870 -5.386 1.00 0.40 H new ATOM 0 HA MET A 33 7.501 -10.402 -4.956 1.00 0.50 H new ATOM 0 HB2 MET A 33 6.913 -7.544 -5.641 1.00 0.62 H new ATOM 0 HB3 MET A 33 8.504 -7.828 -4.965 1.00 0.62 H new ATOM 0 HG2 MET A 33 9.193 -8.392 -7.014 1.00 0.91 H new ATOM 0 HG3 MET A 33 8.252 -9.862 -6.855 1.00 0.91 H new ATOM 0 HE1 MET A 33 7.142 -6.089 -9.274 1.00 2.23 H new ATOM 0 HE2 MET A 33 7.776 -6.073 -7.612 1.00 2.23 H new ATOM 0 HE3 MET A 33 8.808 -6.625 -8.952 1.00 2.23 H new ATOM 514 N VAL A 34 6.827 -8.403 -2.405 1.00 0.48 N ATOM 515 CA VAL A 34 7.025 -8.171 -0.962 1.00 0.49 C ATOM 516 C VAL A 34 6.620 -9.383 -0.097 1.00 0.48 C ATOM 517 O VAL A 34 6.864 -9.405 1.108 1.00 0.54 O ATOM 518 CB VAL A 34 6.206 -6.949 -0.548 1.00 0.51 C ATOM 519 CG1 VAL A 34 4.732 -7.260 -0.485 1.00 0.61 C ATOM 520 CG2 VAL A 34 6.621 -6.343 0.799 1.00 0.47 C ATOM 0 H VAL A 34 6.049 -7.862 -2.784 1.00 0.48 H new ATOM 0 HA VAL A 34 8.090 -8.008 -0.794 1.00 0.49 H new ATOM 0 HB VAL A 34 6.412 -6.215 -1.327 1.00 0.51 H new ATOM 0 HG11 VAL A 34 4.184 -6.366 -0.187 1.00 0.61 H new ATOM 0 HG12 VAL A 34 4.387 -7.587 -1.466 1.00 0.61 H new ATOM 0 HG13 VAL A 34 4.558 -8.052 0.244 1.00 0.61 H new ATOM 0 HG21 VAL A 34 5.992 -5.481 1.019 1.00 0.47 H new ATOM 0 HG22 VAL A 34 6.503 -7.089 1.585 1.00 0.47 H new ATOM 0 HG23 VAL A 34 7.663 -6.028 0.751 1.00 0.47 H new ATOM 530 N GLY A 35 5.934 -10.372 -0.687 1.00 0.43 N ATOM 531 CA GLY A 35 5.431 -11.545 0.015 1.00 0.44 C ATOM 532 C GLY A 35 4.294 -11.282 1.010 1.00 0.41 C ATOM 533 O GLY A 35 4.009 -12.167 1.804 1.00 0.47 O ATOM 0 H GLY A 35 5.713 -10.372 -1.683 1.00 0.43 H new ATOM 0 HA2 GLY A 35 5.084 -12.268 -0.723 1.00 0.44 H new ATOM 0 HA3 GLY A 35 6.259 -12.009 0.551 1.00 0.44 H new ATOM 537 N LEU A 36 3.625 -10.123 0.994 1.00 0.40 N ATOM 538 CA LEU A 36 2.571 -9.731 1.951 1.00 0.43 C ATOM 539 C LEU A 36 1.466 -10.777 2.048 1.00 0.41 C ATOM 540 O LEU A 36 1.214 -11.346 3.103 1.00 0.45 O ATOM 541 CB LEU A 36 1.959 -8.384 1.527 1.00 0.44 C ATOM 542 CG LEU A 36 2.662 -7.192 2.177 1.00 0.78 C ATOM 543 CD1 LEU A 36 2.349 -5.888 1.443 1.00 0.77 C ATOM 544 CD2 LEU A 36 2.234 -7.071 3.621 1.00 1.16 C ATOM 0 H LEU A 36 3.805 -9.405 0.293 1.00 0.40 H new ATOM 0 HA LEU A 36 3.037 -9.644 2.932 1.00 0.43 H new ATOM 0 HB2 LEU A 36 2.015 -8.288 0.443 1.00 0.44 H new ATOM 0 HB3 LEU A 36 0.902 -8.368 1.794 1.00 0.44 H new ATOM 0 HG LEU A 36 3.737 -7.366 2.120 1.00 0.78 H new ATOM 0 HD11 LEU A 36 2.865 -5.062 1.932 1.00 0.77 H new ATOM 0 HD12 LEU A 36 2.684 -5.963 0.408 1.00 0.77 H new ATOM 0 HD13 LEU A 36 1.274 -5.708 1.464 1.00 0.77 H new ATOM 0 HD21 LEU A 36 2.738 -6.220 4.080 1.00 1.16 H new ATOM 0 HD22 LEU A 36 1.155 -6.923 3.670 1.00 1.16 H new ATOM 0 HD23 LEU A 36 2.500 -7.982 4.157 1.00 1.16 H new ATOM 556 N LYS A 37 0.873 -11.068 0.894 1.00 0.39 N ATOM 557 CA LYS A 37 -0.025 -12.204 0.621 1.00 0.45 C ATOM 558 C LYS A 37 0.471 -13.586 1.113 1.00 0.41 C ATOM 559 O LYS A 37 -0.349 -14.495 1.209 1.00 0.49 O ATOM 560 CB LYS A 37 -0.271 -12.266 -0.895 1.00 0.64 C ATOM 561 CG LYS A 37 -1.440 -11.377 -1.343 1.00 0.67 C ATOM 562 CD LYS A 37 -1.533 -11.250 -2.875 1.00 1.33 C ATOM 563 CE LYS A 37 -1.385 -12.571 -3.642 1.00 0.60 C ATOM 564 NZ LYS A 37 -2.396 -13.576 -3.220 1.00 1.93 N ATOM 0 H LYS A 37 1.010 -10.485 0.068 1.00 0.39 H new ATOM 0 HA LYS A 37 -0.934 -12.013 1.192 1.00 0.45 H new ATOM 0 HB2 LYS A 37 0.635 -11.959 -1.419 1.00 0.64 H new ATOM 0 HB3 LYS A 37 -0.473 -13.297 -1.184 1.00 0.64 H new ATOM 0 HG2 LYS A 37 -2.373 -11.789 -0.959 1.00 0.67 H new ATOM 0 HG3 LYS A 37 -1.326 -10.385 -0.906 1.00 0.67 H new ATOM 0 HD2 LYS A 37 -2.494 -10.804 -3.131 1.00 1.33 H new ATOM 0 HD3 LYS A 37 -0.761 -10.560 -3.216 1.00 1.33 H new ATOM 0 HE2 LYS A 37 -1.485 -12.383 -4.711 1.00 0.60 H new ATOM 0 HE3 LYS A 37 -0.385 -12.973 -3.481 1.00 0.60 H new ATOM 0 HZ1 LYS A 37 -1.914 -14.404 -2.815 1.00 1.93 H new ATOM 0 HZ2 LYS A 37 -3.025 -13.157 -2.505 1.00 1.93 H new ATOM 0 HZ3 LYS A 37 -2.957 -13.871 -4.044 1.00 1.93 H new ATOM 578 N LYS A 38 1.774 -13.768 1.398 1.00 0.38 N ATOM 579 CA LYS A 38 2.395 -14.980 1.975 1.00 0.39 C ATOM 580 C LYS A 38 2.496 -14.916 3.514 1.00 0.35 C ATOM 581 O LYS A 38 2.738 -15.938 4.152 1.00 0.43 O ATOM 582 CB LYS A 38 3.761 -15.259 1.270 1.00 0.49 C ATOM 583 CG LYS A 38 5.052 -15.146 2.126 1.00 1.26 C ATOM 584 CD LYS A 38 6.355 -15.027 1.299 1.00 1.28 C ATOM 585 CE LYS A 38 7.570 -14.793 2.226 1.00 1.80 C ATOM 586 NZ LYS A 38 8.817 -14.333 1.539 1.00 2.66 N ATOM 0 H LYS A 38 2.461 -13.035 1.223 1.00 0.38 H new ATOM 0 HA LYS A 38 1.745 -15.833 1.780 1.00 0.39 H new ATOM 0 HB2 LYS A 38 3.723 -16.265 0.852 1.00 0.49 H new ATOM 0 HB3 LYS A 38 3.853 -14.568 0.432 1.00 0.49 H new ATOM 0 HG2 LYS A 38 4.968 -14.276 2.777 1.00 1.26 H new ATOM 0 HG3 LYS A 38 5.124 -16.021 2.772 1.00 1.26 H new ATOM 0 HD2 LYS A 38 6.506 -15.935 0.716 1.00 1.28 H new ATOM 0 HD3 LYS A 38 6.268 -14.204 0.590 1.00 1.28 H new ATOM 0 HE2 LYS A 38 7.295 -14.054 2.979 1.00 1.80 H new ATOM 0 HE3 LYS A 38 7.787 -15.721 2.755 1.00 1.80 H new ATOM 0 HZ1 LYS A 38 9.643 -14.570 2.124 1.00 2.66 H new ATOM 0 HZ2 LYS A 38 8.899 -14.805 0.616 1.00 2.66 H new ATOM 0 HZ3 LYS A 38 8.776 -13.303 1.399 1.00 2.66 H new ATOM 600 N LYS A 39 2.327 -13.728 4.112 1.00 0.31 N ATOM 601 CA LYS A 39 2.263 -13.479 5.560 1.00 0.33 C ATOM 602 C LYS A 39 0.814 -13.653 6.068 1.00 0.32 C ATOM 603 O LYS A 39 -0.099 -13.910 5.287 1.00 0.41 O ATOM 604 CB LYS A 39 2.802 -12.062 5.869 1.00 0.36 C ATOM 605 CG LYS A 39 4.152 -11.665 5.230 1.00 1.13 C ATOM 606 CD LYS A 39 5.430 -12.028 5.998 1.00 0.69 C ATOM 607 CE LYS A 39 5.601 -13.530 6.227 1.00 1.45 C ATOM 608 NZ LYS A 39 5.347 -13.869 7.646 1.00 2.42 N ATOM 0 H LYS A 39 2.226 -12.870 3.570 1.00 0.31 H new ATOM 0 HA LYS A 39 2.887 -14.204 6.082 1.00 0.33 H new ATOM 0 HB2 LYS A 39 2.052 -11.338 5.551 1.00 0.36 H new ATOM 0 HB3 LYS A 39 2.899 -11.966 6.950 1.00 0.36 H new ATOM 0 HG2 LYS A 39 4.208 -12.128 4.245 1.00 1.13 H new ATOM 0 HG3 LYS A 39 4.147 -10.586 5.075 1.00 1.13 H new ATOM 0 HD2 LYS A 39 6.293 -11.652 5.449 1.00 0.69 H new ATOM 0 HD3 LYS A 39 5.421 -11.521 6.963 1.00 0.69 H new ATOM 0 HE2 LYS A 39 4.914 -14.082 5.586 1.00 1.45 H new ATOM 0 HE3 LYS A 39 6.610 -13.834 5.949 1.00 1.45 H new ATOM 0 HZ1 LYS A 39 5.467 -14.893 7.785 1.00 2.42 H new ATOM 0 HZ2 LYS A 39 6.019 -13.356 8.251 1.00 2.42 H new ATOM 0 HZ3 LYS A 39 4.376 -13.597 7.899 1.00 2.42 H new ATOM 622 N SER A 40 0.603 -13.539 7.388 1.00 0.29 N ATOM 623 CA SER A 40 -0.732 -13.686 7.989 1.00 0.29 C ATOM 624 C SER A 40 -1.635 -12.471 7.704 1.00 0.37 C ATOM 625 O SER A 40 -1.161 -11.345 7.536 1.00 0.41 O ATOM 626 CB SER A 40 -0.642 -13.929 9.508 1.00 0.39 C ATOM 627 OG SER A 40 -1.954 -14.255 9.933 1.00 1.79 O ATOM 0 H SER A 40 1.343 -13.345 8.062 1.00 0.29 H new ATOM 0 HA SER A 40 -1.185 -14.559 7.520 1.00 0.29 H new ATOM 0 HB2 SER A 40 0.053 -14.738 9.733 1.00 0.39 H new ATOM 0 HB3 SER A 40 -0.275 -13.042 10.023 1.00 0.39 H new ATOM 0 HG SER A 40 -1.990 -14.256 10.912 1.00 1.79 H new ATOM 633 N ALA A 41 -2.956 -12.670 7.780 1.00 0.49 N ATOM 634 CA ALA A 41 -3.940 -11.589 7.866 1.00 0.56 C ATOM 635 C ALA A 41 -3.632 -10.633 9.036 1.00 0.50 C ATOM 636 O ALA A 41 -3.768 -9.413 8.918 1.00 0.48 O ATOM 637 CB ALA A 41 -5.325 -12.219 8.049 1.00 0.70 C ATOM 0 H ALA A 41 -3.375 -13.600 7.783 1.00 0.49 H new ATOM 0 HA ALA A 41 -3.904 -10.998 6.951 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -6.077 -11.432 8.116 1.00 0.70 H new ATOM 0 HB2 ALA A 41 -5.548 -12.862 7.198 1.00 0.70 H new ATOM 0 HB3 ALA A 41 -5.337 -12.811 8.964 1.00 0.70 H new ATOM 643 N ASP A 42 -3.155 -11.201 10.152 1.00 0.53 N ATOM 644 CA ASP A 42 -2.773 -10.479 11.371 1.00 0.51 C ATOM 645 C ASP A 42 -1.568 -9.549 11.167 1.00 0.44 C ATOM 646 O ASP A 42 -1.354 -8.614 11.947 1.00 0.62 O ATOM 647 CB ASP A 42 -2.370 -11.466 12.476 1.00 0.73 C ATOM 648 CG ASP A 42 -3.242 -12.710 12.509 1.00 2.22 C ATOM 649 OD1 ASP A 42 -4.432 -12.583 12.852 1.00 2.76 O ATOM 650 OD2 ASP A 42 -2.688 -13.751 12.089 1.00 3.83 O ATOM 0 H ASP A 42 -3.020 -12.209 10.233 1.00 0.53 H new ATOM 0 HA ASP A 42 -3.649 -9.890 11.643 1.00 0.51 H new ATOM 0 HB2 ASP A 42 -1.331 -11.761 12.330 1.00 0.73 H new ATOM 0 HB3 ASP A 42 -2.426 -10.964 13.442 1.00 0.73 H new ATOM 655 N ASP A 43 -0.769 -9.851 10.135 1.00 0.45 N ATOM 656 CA ASP A 43 0.360 -9.069 9.655 1.00 0.41 C ATOM 657 C ASP A 43 -0.164 -7.944 8.754 1.00 0.40 C ATOM 658 O ASP A 43 0.083 -6.771 9.023 1.00 0.43 O ATOM 659 CB ASP A 43 1.336 -10.005 8.910 1.00 0.39 C ATOM 660 CG ASP A 43 2.792 -9.551 8.979 1.00 0.88 C ATOM 661 OD1 ASP A 43 3.018 -8.347 9.232 1.00 1.99 O ATOM 662 OD2 ASP A 43 3.660 -10.433 8.781 1.00 1.99 O ATOM 0 H ASP A 43 -0.908 -10.699 9.586 1.00 0.45 H new ATOM 0 HA ASP A 43 0.902 -8.611 10.482 1.00 0.41 H new ATOM 0 HB2 ASP A 43 1.257 -11.008 9.330 1.00 0.39 H new ATOM 0 HB3 ASP A 43 1.035 -10.073 7.865 1.00 0.39 H new ATOM 667 N VAL A 44 -0.991 -8.273 7.749 1.00 0.42 N ATOM 668 CA VAL A 44 -1.627 -7.319 6.838 1.00 0.49 C ATOM 669 C VAL A 44 -2.426 -6.218 7.571 1.00 0.45 C ATOM 670 O VAL A 44 -2.416 -5.062 7.141 1.00 0.47 O ATOM 671 CB VAL A 44 -2.427 -8.115 5.792 1.00 0.63 C ATOM 672 CG1 VAL A 44 -3.535 -7.299 5.150 1.00 1.14 C ATOM 673 CG2 VAL A 44 -1.494 -8.612 4.677 1.00 0.86 C ATOM 0 H VAL A 44 -1.241 -9.241 7.545 1.00 0.42 H new ATOM 0 HA VAL A 44 -0.866 -6.743 6.312 1.00 0.49 H new ATOM 0 HB VAL A 44 -2.881 -8.949 6.327 1.00 0.63 H new ATOM 0 HG11 VAL A 44 -4.064 -7.913 4.421 1.00 1.14 H new ATOM 0 HG12 VAL A 44 -4.233 -6.965 5.918 1.00 1.14 H new ATOM 0 HG13 VAL A 44 -3.105 -6.432 4.649 1.00 1.14 H new ATOM 0 HG21 VAL A 44 -2.071 -9.174 3.943 1.00 0.86 H new ATOM 0 HG22 VAL A 44 -1.021 -7.759 4.191 1.00 0.86 H new ATOM 0 HG23 VAL A 44 -0.726 -9.257 5.105 1.00 0.86 H new ATOM 683 N LYS A 45 -3.016 -6.523 8.736 1.00 0.44 N ATOM 684 CA LYS A 45 -3.527 -5.522 9.692 1.00 0.47 C ATOM 685 C LYS A 45 -2.491 -4.464 10.083 1.00 0.49 C ATOM 686 O LYS A 45 -2.764 -3.267 10.006 1.00 0.63 O ATOM 687 CB LYS A 45 -4.144 -6.236 10.913 1.00 0.51 C ATOM 688 CG LYS A 45 -5.673 -6.110 10.883 1.00 1.26 C ATOM 689 CD LYS A 45 -6.361 -6.965 11.955 1.00 1.64 C ATOM 690 CE LYS A 45 -7.872 -6.705 11.909 1.00 1.97 C ATOM 691 NZ LYS A 45 -8.635 -7.758 12.618 1.00 2.89 N ATOM 0 H LYS A 45 -3.155 -7.484 9.048 1.00 0.44 H new ATOM 0 HA LYS A 45 -4.311 -4.955 9.190 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -3.858 -7.288 10.911 1.00 0.51 H new ATOM 0 HB3 LYS A 45 -3.754 -5.801 11.833 1.00 0.51 H new ATOM 0 HG2 LYS A 45 -5.950 -5.065 11.025 1.00 1.26 H new ATOM 0 HG3 LYS A 45 -6.038 -6.406 9.899 1.00 1.26 H new ATOM 0 HD2 LYS A 45 -6.156 -8.022 11.783 1.00 1.64 H new ATOM 0 HD3 LYS A 45 -5.967 -6.720 12.941 1.00 1.64 H new ATOM 0 HE2 LYS A 45 -8.087 -5.736 12.358 1.00 1.97 H new ATOM 0 HE3 LYS A 45 -8.200 -6.655 10.871 1.00 1.97 H new ATOM 0 HZ1 LYS A 45 -9.652 -7.546 12.564 1.00 2.89 H new ATOM 0 HZ2 LYS A 45 -8.450 -8.680 12.174 1.00 2.89 H new ATOM 0 HZ3 LYS A 45 -8.340 -7.789 13.615 1.00 2.89 H new ATOM 705 N LYS A 46 -1.304 -4.901 10.493 1.00 0.41 N ATOM 706 CA LYS A 46 -0.189 -4.063 10.948 1.00 0.37 C ATOM 707 C LYS A 46 0.541 -3.372 9.790 1.00 0.41 C ATOM 708 O LYS A 46 1.102 -2.297 9.991 1.00 0.50 O ATOM 709 CB LYS A 46 0.771 -4.943 11.761 1.00 0.38 C ATOM 710 CG LYS A 46 0.391 -5.059 13.248 1.00 0.81 C ATOM 711 CD LYS A 46 -1.044 -5.563 13.489 1.00 1.86 C ATOM 712 CE LYS A 46 -1.209 -6.281 14.828 1.00 1.86 C ATOM 713 NZ LYS A 46 -0.536 -7.601 14.790 1.00 1.86 N ATOM 0 H LYS A 46 -1.078 -5.895 10.520 1.00 0.41 H new ATOM 0 HA LYS A 46 -0.585 -3.259 11.569 1.00 0.37 H new ATOM 0 HB2 LYS A 46 0.796 -5.940 11.322 1.00 0.38 H new ATOM 0 HB3 LYS A 46 1.779 -4.535 11.683 1.00 0.38 H new ATOM 0 HG2 LYS A 46 1.090 -5.735 13.740 1.00 0.81 H new ATOM 0 HG3 LYS A 46 0.507 -4.083 13.719 1.00 0.81 H new ATOM 0 HD2 LYS A 46 -1.731 -4.718 13.449 1.00 1.86 H new ATOM 0 HD3 LYS A 46 -1.325 -6.241 12.683 1.00 1.86 H new ATOM 0 HE2 LYS A 46 -0.788 -5.673 15.629 1.00 1.86 H new ATOM 0 HE3 LYS A 46 -2.268 -6.411 15.050 1.00 1.86 H new ATOM 0 HZ1 LYS A 46 -0.886 -8.192 15.571 1.00 1.86 H new ATOM 0 HZ2 LYS A 46 -0.740 -8.069 13.884 1.00 1.86 H new ATOM 0 HZ3 LYS A 46 0.491 -7.470 14.888 1.00 1.86 H new ATOM 727 N VAL A 47 0.479 -3.964 8.594 1.00 0.40 N ATOM 728 CA VAL A 47 0.907 -3.401 7.307 1.00 0.41 C ATOM 729 C VAL A 47 0.094 -2.148 6.985 1.00 0.40 C ATOM 730 O VAL A 47 0.653 -1.049 6.978 1.00 0.41 O ATOM 731 CB VAL A 47 0.792 -4.475 6.209 1.00 0.42 C ATOM 732 CG1 VAL A 47 0.995 -3.921 4.798 1.00 0.41 C ATOM 733 CG2 VAL A 47 1.748 -5.651 6.470 1.00 0.50 C ATOM 0 H VAL A 47 0.106 -4.908 8.490 1.00 0.40 H new ATOM 0 HA VAL A 47 1.952 -3.098 7.362 1.00 0.41 H new ATOM 0 HB VAL A 47 -0.234 -4.840 6.258 1.00 0.42 H new ATOM 0 HG11 VAL A 47 0.901 -4.729 4.073 1.00 0.41 H new ATOM 0 HG12 VAL A 47 0.241 -3.161 4.594 1.00 0.41 H new ATOM 0 HG13 VAL A 47 1.988 -3.478 4.721 1.00 0.41 H new ATOM 0 HG21 VAL A 47 1.641 -6.390 5.676 1.00 0.50 H new ATOM 0 HG22 VAL A 47 2.775 -5.287 6.491 1.00 0.50 H new ATOM 0 HG23 VAL A 47 1.507 -6.110 7.429 1.00 0.50 H new ATOM 743 N PHE A 48 -1.225 -2.284 6.777 1.00 0.42 N ATOM 744 CA PHE A 48 -2.130 -1.156 6.594 1.00 0.42 C ATOM 745 C PHE A 48 -1.979 -0.080 7.692 1.00 0.33 C ATOM 746 O PHE A 48 -1.962 1.114 7.392 1.00 0.32 O ATOM 747 CB PHE A 48 -3.556 -1.705 6.503 1.00 0.54 C ATOM 748 CG PHE A 48 -4.591 -0.622 6.681 1.00 0.48 C ATOM 749 CD1 PHE A 48 -4.903 0.234 5.610 1.00 1.76 C ATOM 750 CD2 PHE A 48 -5.116 -0.381 7.965 1.00 1.67 C ATOM 751 CE1 PHE A 48 -5.711 1.357 5.837 1.00 1.76 C ATOM 752 CE2 PHE A 48 -5.920 0.745 8.189 1.00 1.86 C ATOM 753 CZ PHE A 48 -6.199 1.619 7.127 1.00 0.97 C ATOM 0 H PHE A 48 -1.690 -3.191 6.732 1.00 0.42 H new ATOM 0 HA PHE A 48 -1.877 -0.637 5.669 1.00 0.42 H new ATOM 0 HB2 PHE A 48 -3.698 -2.187 5.536 1.00 0.54 H new ATOM 0 HB3 PHE A 48 -3.699 -2.472 7.265 1.00 0.54 H new ATOM 0 HD1 PHE A 48 -4.523 0.028 4.620 1.00 1.76 H new ATOM 0 HD2 PHE A 48 -4.900 -1.062 8.775 1.00 1.67 H new ATOM 0 HE1 PHE A 48 -5.958 2.020 5.021 1.00 1.76 H new ATOM 0 HE2 PHE A 48 -6.322 0.939 9.172 1.00 1.86 H new ATOM 0 HZ PHE A 48 -6.795 2.502 7.304 1.00 0.97 H new ATOM 763 N HIS A 49 -1.800 -0.492 8.953 1.00 0.34 N ATOM 764 CA HIS A 49 -1.611 0.414 10.088 1.00 0.33 C ATOM 765 C HIS A 49 -0.325 1.269 10.008 1.00 0.37 C ATOM 766 O HIS A 49 -0.196 2.225 10.769 1.00 0.65 O ATOM 767 CB HIS A 49 -1.651 -0.432 11.374 1.00 0.42 C ATOM 768 CG HIS A 49 -1.779 0.309 12.683 1.00 1.15 C ATOM 769 ND1 HIS A 49 -1.541 -0.238 13.925 1.00 2.08 N ATOM 770 CD2 HIS A 49 -2.216 1.594 12.877 1.00 2.59 C ATOM 771 CE1 HIS A 49 -1.818 0.703 14.845 1.00 2.67 C ATOM 772 NE2 HIS A 49 -2.226 1.834 14.255 1.00 3.08 N ATOM 0 H HIS A 49 -1.782 -1.478 9.215 1.00 0.34 H new ATOM 0 HA HIS A 49 -2.417 1.147 10.078 1.00 0.33 H new ATOM 0 HB2 HIS A 49 -2.487 -1.127 11.296 1.00 0.42 H new ATOM 0 HB3 HIS A 49 -0.741 -1.031 11.413 1.00 0.42 H new ATOM 0 HD2 HIS A 49 -2.501 2.294 12.106 1.00 2.59 H new ATOM 0 HE1 HIS A 49 -1.724 0.566 15.912 1.00 2.67 H new ATOM 0 HE2 HIS A 49 -2.492 2.702 14.720 1.00 3.08 H new ATOM 780 N MET A 50 0.625 0.967 9.108 1.00 0.32 N ATOM 781 CA MET A 50 1.835 1.776 8.921 1.00 0.44 C ATOM 782 C MET A 50 1.678 2.851 7.830 1.00 0.46 C ATOM 783 O MET A 50 2.156 3.972 7.991 1.00 0.58 O ATOM 784 CB MET A 50 3.014 0.847 8.609 1.00 0.59 C ATOM 785 CG MET A 50 4.339 1.566 8.860 1.00 0.82 C ATOM 786 SD MET A 50 4.738 1.876 10.601 1.00 1.24 S ATOM 787 CE MET A 50 6.017 0.620 10.803 1.00 2.33 C ATOM 0 H MET A 50 0.574 0.156 8.492 1.00 0.32 H new ATOM 0 HA MET A 50 2.021 2.318 9.848 1.00 0.44 H new ATOM 0 HB2 MET A 50 2.955 -0.047 9.229 1.00 0.59 H new ATOM 0 HB3 MET A 50 2.962 0.519 7.571 1.00 0.59 H new ATOM 0 HG2 MET A 50 5.142 0.975 8.420 1.00 0.82 H new ATOM 0 HG3 MET A 50 4.320 2.520 8.334 1.00 0.82 H new ATOM 0 HE1 MET A 50 6.397 0.649 11.824 1.00 2.33 H new ATOM 0 HE2 MET A 50 5.595 -0.365 10.600 1.00 2.33 H new ATOM 0 HE3 MET A 50 6.832 0.816 10.107 1.00 2.33 H new ATOM 797 N LEU A 51 1.008 2.510 6.725 1.00 0.54 N ATOM 798 CA LEU A 51 0.610 3.455 5.667 1.00 0.54 C ATOM 799 C LEU A 51 -0.466 4.447 6.147 1.00 0.43 C ATOM 800 O LEU A 51 -0.430 5.618 5.769 1.00 0.44 O ATOM 801 CB LEU A 51 0.147 2.756 4.364 1.00 0.83 C ATOM 802 CG LEU A 51 -0.236 1.261 4.417 1.00 0.80 C ATOM 803 CD1 LEU A 51 -1.371 0.894 3.461 1.00 2.28 C ATOM 804 CD2 LEU A 51 0.983 0.401 4.096 1.00 1.73 C ATOM 0 H LEU A 51 0.719 1.551 6.533 1.00 0.54 H new ATOM 0 HA LEU A 51 1.516 4.014 5.432 1.00 0.54 H new ATOM 0 HB2 LEU A 51 -0.715 3.304 3.984 1.00 0.83 H new ATOM 0 HB3 LEU A 51 0.944 2.866 3.629 1.00 0.83 H new ATOM 0 HG LEU A 51 -0.590 1.070 5.430 1.00 0.80 H new ATOM 0 HD11 LEU A 51 -1.590 -0.170 3.548 1.00 2.28 H new ATOM 0 HD12 LEU A 51 -2.261 1.470 3.715 1.00 2.28 H new ATOM 0 HD13 LEU A 51 -1.072 1.120 2.437 1.00 2.28 H new ATOM 0 HD21 LEU A 51 0.706 -0.652 4.135 1.00 1.73 H new ATOM 0 HD22 LEU A 51 1.347 0.644 3.097 1.00 1.73 H new ATOM 0 HD23 LEU A 51 1.769 0.597 4.826 1.00 1.73 H new ATOM 816 N ASP A 52 -1.419 3.992 6.968 1.00 0.45 N ATOM 817 CA ASP A 52 -2.468 4.819 7.569 1.00 0.51 C ATOM 818 C ASP A 52 -1.874 5.729 8.666 1.00 0.53 C ATOM 819 O ASP A 52 -1.990 5.443 9.854 1.00 0.83 O ATOM 820 CB ASP A 52 -3.581 3.871 8.071 1.00 0.73 C ATOM 821 CG ASP A 52 -4.915 4.564 8.357 1.00 0.98 C ATOM 822 OD1 ASP A 52 -5.305 5.436 7.552 1.00 1.76 O ATOM 823 OD2 ASP A 52 -5.591 4.185 9.338 1.00 1.81 O ATOM 0 H ASP A 52 -1.482 3.011 7.239 1.00 0.45 H new ATOM 0 HA ASP A 52 -2.910 5.502 6.844 1.00 0.51 H new ATOM 0 HB2 ASP A 52 -3.742 3.092 7.326 1.00 0.73 H new ATOM 0 HB3 ASP A 52 -3.239 3.377 8.980 1.00 0.73 H new ATOM 828 N LYS A 53 -1.184 6.812 8.278 1.00 0.45 N ATOM 829 CA LYS A 53 -0.413 7.689 9.179 1.00 0.59 C ATOM 830 C LYS A 53 -1.228 8.328 10.307 1.00 0.86 C ATOM 831 O LYS A 53 -0.760 8.373 11.442 1.00 1.69 O ATOM 832 CB LYS A 53 0.299 8.798 8.387 1.00 0.84 C ATOM 833 CG LYS A 53 1.328 8.286 7.361 1.00 0.99 C ATOM 834 CD LYS A 53 2.666 9.037 7.457 1.00 1.45 C ATOM 835 CE LYS A 53 2.515 10.543 7.200 1.00 2.74 C ATOM 836 NZ LYS A 53 3.773 11.267 7.505 1.00 3.65 N ATOM 0 H LYS A 53 -1.144 7.112 7.304 1.00 0.45 H new ATOM 0 HA LYS A 53 0.309 7.025 9.654 1.00 0.59 H new ATOM 0 HB2 LYS A 53 -0.450 9.394 7.866 1.00 0.84 H new ATOM 0 HB3 LYS A 53 0.803 9.463 9.089 1.00 0.84 H new ATOM 0 HG2 LYS A 53 1.499 7.221 7.520 1.00 0.99 H new ATOM 0 HG3 LYS A 53 0.922 8.397 6.355 1.00 0.99 H new ATOM 0 HD2 LYS A 53 3.096 8.882 8.447 1.00 1.45 H new ATOM 0 HD3 LYS A 53 3.367 8.617 6.736 1.00 1.45 H new ATOM 0 HE2 LYS A 53 2.239 10.711 6.159 1.00 2.74 H new ATOM 0 HE3 LYS A 53 1.706 10.940 7.813 1.00 2.74 H new ATOM 0 HZ1 LYS A 53 3.642 12.282 7.322 1.00 3.65 H new ATOM 0 HZ2 LYS A 53 4.022 11.124 8.505 1.00 3.65 H new ATOM 0 HZ3 LYS A 53 4.538 10.903 6.902 1.00 3.65 H new ATOM 850 N ASP A 54 -2.437 8.811 10.024 1.00 0.70 N ATOM 851 CA ASP A 54 -3.392 9.290 11.030 1.00 0.84 C ATOM 852 C ASP A 54 -4.056 8.143 11.815 1.00 1.00 C ATOM 853 O ASP A 54 -4.889 8.414 12.679 1.00 1.49 O ATOM 854 CB ASP A 54 -4.455 10.189 10.364 1.00 0.91 C ATOM 855 CG ASP A 54 -5.400 9.432 9.428 1.00 1.06 C ATOM 856 OD1 ASP A 54 -5.568 8.199 9.520 1.00 1.47 O ATOM 857 OD2 ASP A 54 -5.991 10.003 8.486 1.00 2.09 O ATOM 0 H ASP A 54 -2.790 8.883 9.070 1.00 0.70 H new ATOM 0 HA ASP A 54 -2.830 9.875 11.758 1.00 0.84 H new ATOM 0 HB2 ASP A 54 -5.042 10.679 11.141 1.00 0.91 H new ATOM 0 HB3 ASP A 54 -3.952 10.975 9.801 1.00 0.91 H new ATOM 862 N LYS A 55 -3.727 6.882 11.480 1.00 0.86 N ATOM 863 CA LYS A 55 -4.287 5.600 11.924 1.00 1.24 C ATOM 864 C LYS A 55 -5.812 5.581 12.137 1.00 1.20 C ATOM 865 O LYS A 55 -6.317 4.819 12.961 1.00 1.78 O ATOM 866 CB LYS A 55 -3.388 4.940 12.997 1.00 1.90 C ATOM 867 CG LYS A 55 -2.899 5.810 14.165 1.00 1.42 C ATOM 868 CD LYS A 55 -4.036 6.214 15.110 1.00 3.28 C ATOM 869 CE LYS A 55 -4.045 7.710 15.395 1.00 5.32 C ATOM 870 NZ LYS A 55 -3.017 8.116 16.379 1.00 6.04 N ATOM 0 H LYS A 55 -2.972 6.723 10.812 1.00 0.86 H new ATOM 0 HA LYS A 55 -4.243 4.909 11.082 1.00 1.24 H new ATOM 0 HB2 LYS A 55 -3.934 4.095 13.416 1.00 1.90 H new ATOM 0 HB3 LYS A 55 -2.511 4.534 12.493 1.00 1.90 H new ATOM 0 HG2 LYS A 55 -2.140 5.266 14.727 1.00 1.42 H new ATOM 0 HG3 LYS A 55 -2.422 6.707 13.771 1.00 1.42 H new ATOM 0 HD2 LYS A 55 -4.991 5.924 14.671 1.00 3.28 H new ATOM 0 HD3 LYS A 55 -3.937 5.668 16.048 1.00 3.28 H new ATOM 0 HE2 LYS A 55 -3.883 8.253 14.464 1.00 5.32 H new ATOM 0 HE3 LYS A 55 -5.029 7.998 15.765 1.00 5.32 H new ATOM 0 HZ1 LYS A 55 -3.070 9.143 16.533 1.00 6.04 H new ATOM 0 HZ2 LYS A 55 -3.183 7.622 17.279 1.00 6.04 H new ATOM 0 HZ3 LYS A 55 -2.074 7.869 16.018 1.00 6.04 H new ATOM 884 N SER A 56 -6.564 6.401 11.387 1.00 0.62 N ATOM 885 CA SER A 56 -8.026 6.523 11.485 1.00 0.52 C ATOM 886 C SER A 56 -8.782 5.258 11.065 1.00 0.53 C ATOM 887 O SER A 56 -9.985 5.165 11.304 1.00 0.62 O ATOM 888 CB SER A 56 -8.541 7.719 10.669 1.00 0.58 C ATOM 889 OG SER A 56 -8.561 7.463 9.271 1.00 0.76 O ATOM 0 H SER A 56 -6.161 7.013 10.677 1.00 0.62 H new ATOM 0 HA SER A 56 -8.228 6.681 12.544 1.00 0.52 H new ATOM 0 HB2 SER A 56 -9.547 7.974 11.002 1.00 0.58 H new ATOM 0 HB3 SER A 56 -7.911 8.586 10.866 1.00 0.58 H new ATOM 0 HG SER A 56 -7.665 7.604 8.900 1.00 0.76 H new ATOM 895 N GLY A 57 -8.092 4.297 10.443 1.00 0.57 N ATOM 896 CA GLY A 57 -8.635 3.033 9.975 1.00 0.62 C ATOM 897 C GLY A 57 -8.989 3.046 8.481 1.00 0.50 C ATOM 898 O GLY A 57 -9.503 2.056 7.964 1.00 0.51 O ATOM 0 H GLY A 57 -7.095 4.390 10.247 1.00 0.57 H new ATOM 0 HA2 GLY A 57 -7.910 2.241 10.164 1.00 0.62 H new ATOM 0 HA3 GLY A 57 -9.528 2.792 10.552 1.00 0.62 H new ATOM 902 N PHE A 58 -8.712 4.161 7.787 1.00 0.47 N ATOM 903 CA PHE A 58 -9.113 4.450 6.408 1.00 0.46 C ATOM 904 C PHE A 58 -8.082 5.378 5.743 1.00 0.53 C ATOM 905 O PHE A 58 -7.866 6.481 6.245 1.00 0.84 O ATOM 906 CB PHE A 58 -10.480 5.161 6.444 1.00 0.52 C ATOM 907 CG PHE A 58 -11.570 4.495 7.262 1.00 0.56 C ATOM 908 CD1 PHE A 58 -12.315 3.425 6.729 1.00 1.86 C ATOM 909 CD2 PHE A 58 -11.839 4.951 8.568 1.00 1.80 C ATOM 910 CE1 PHE A 58 -13.327 2.822 7.498 1.00 1.96 C ATOM 911 CE2 PHE A 58 -12.839 4.339 9.340 1.00 1.89 C ATOM 912 CZ PHE A 58 -13.588 3.278 8.803 1.00 0.99 C ATOM 0 H PHE A 58 -8.173 4.924 8.198 1.00 0.47 H new ATOM 0 HA PHE A 58 -9.174 3.523 5.839 1.00 0.46 H new ATOM 0 HB2 PHE A 58 -10.330 6.168 6.832 1.00 0.52 H new ATOM 0 HB3 PHE A 58 -10.838 5.264 5.420 1.00 0.52 H new ATOM 0 HD1 PHE A 58 -12.109 3.068 5.731 1.00 1.86 H new ATOM 0 HD2 PHE A 58 -11.273 5.775 8.977 1.00 1.80 H new ATOM 0 HE1 PHE A 58 -13.904 2.008 7.086 1.00 1.96 H new ATOM 0 HE2 PHE A 58 -13.033 4.683 10.345 1.00 1.89 H new ATOM 0 HZ PHE A 58 -14.364 2.813 9.392 1.00 0.99 H new ATOM 922 N ILE A 59 -7.459 4.986 4.621 1.00 0.37 N ATOM 923 CA ILE A 59 -6.572 5.893 3.865 1.00 0.47 C ATOM 924 C ILE A 59 -7.370 6.690 2.822 1.00 0.47 C ATOM 925 O ILE A 59 -8.004 6.109 1.939 1.00 0.41 O ATOM 926 CB ILE A 59 -5.401 5.111 3.247 1.00 0.53 C ATOM 927 CG1 ILE A 59 -4.441 4.682 4.372 1.00 0.93 C ATOM 928 CG2 ILE A 59 -4.631 5.907 2.174 1.00 0.72 C ATOM 929 CD1 ILE A 59 -3.483 3.584 3.927 1.00 1.19 C ATOM 0 H ILE A 59 -7.550 4.054 4.217 1.00 0.37 H new ATOM 0 HA ILE A 59 -6.140 6.621 4.551 1.00 0.47 H new ATOM 0 HB ILE A 59 -5.821 4.243 2.739 1.00 0.53 H new ATOM 0 HG12 ILE A 59 -3.868 5.547 4.707 1.00 0.93 H new ATOM 0 HG13 ILE A 59 -5.020 4.332 5.227 1.00 0.93 H new ATOM 0 HG21 ILE A 59 -3.819 5.296 1.780 1.00 0.72 H new ATOM 0 HG22 ILE A 59 -5.309 6.175 1.364 1.00 0.72 H new ATOM 0 HG23 ILE A 59 -4.220 6.814 2.618 1.00 0.72 H new ATOM 0 HD11 ILE A 59 -2.827 3.316 4.755 1.00 1.19 H new ATOM 0 HD12 ILE A 59 -4.053 2.708 3.617 1.00 1.19 H new ATOM 0 HD13 ILE A 59 -2.883 3.942 3.090 1.00 1.19 H new ATOM 941 N GLU A 60 -7.280 8.021 2.928 1.00 0.70 N ATOM 942 CA GLU A 60 -7.766 9.047 1.998 1.00 0.62 C ATOM 943 C GLU A 60 -6.596 9.633 1.184 1.00 0.47 C ATOM 944 O GLU A 60 -5.425 9.425 1.517 1.00 0.47 O ATOM 945 CB GLU A 60 -8.436 10.225 2.744 1.00 0.77 C ATOM 946 CG GLU A 60 -9.713 9.928 3.549 1.00 1.74 C ATOM 947 CD GLU A 60 -9.490 9.319 4.942 1.00 1.38 C ATOM 948 OE1 GLU A 60 -8.366 9.448 5.476 1.00 1.15 O ATOM 949 OE2 GLU A 60 -10.460 8.749 5.494 1.00 2.21 O ATOM 0 H GLU A 60 -6.826 8.444 3.737 1.00 0.70 H new ATOM 0 HA GLU A 60 -8.492 8.558 1.349 1.00 0.62 H new ATOM 0 HB2 GLU A 60 -7.701 10.651 3.427 1.00 0.77 H new ATOM 0 HB3 GLU A 60 -8.674 10.995 2.010 1.00 0.77 H new ATOM 0 HG2 GLU A 60 -10.274 10.856 3.663 1.00 1.74 H new ATOM 0 HG3 GLU A 60 -10.337 9.247 2.970 1.00 1.74 H new ATOM 956 N GLU A 61 -6.927 10.416 0.146 1.00 0.47 N ATOM 957 CA GLU A 61 -6.003 11.002 -0.835 1.00 0.48 C ATOM 958 C GLU A 61 -4.764 11.708 -0.238 1.00 0.46 C ATOM 959 O GLU A 61 -3.660 11.525 -0.759 1.00 0.47 O ATOM 960 CB GLU A 61 -6.785 11.849 -1.850 1.00 0.58 C ATOM 961 CG GLU A 61 -7.433 13.127 -1.287 1.00 1.25 C ATOM 962 CD GLU A 61 -6.796 14.403 -1.853 1.00 1.99 C ATOM 963 OE1 GLU A 61 -5.547 14.477 -1.865 1.00 3.05 O ATOM 964 OE2 GLU A 61 -7.570 15.276 -2.306 1.00 2.59 O ATOM 0 H GLU A 61 -7.897 10.670 -0.041 1.00 0.47 H new ATOM 0 HA GLU A 61 -5.544 10.171 -1.371 1.00 0.48 H new ATOM 0 HB2 GLU A 61 -6.110 12.130 -2.658 1.00 0.58 H new ATOM 0 HB3 GLU A 61 -7.567 11.229 -2.289 1.00 0.58 H new ATOM 0 HG2 GLU A 61 -8.498 13.123 -1.517 1.00 1.25 H new ATOM 0 HG3 GLU A 61 -7.342 13.129 -0.201 1.00 1.25 H new ATOM 971 N ASP A 62 -4.925 12.388 0.907 1.00 0.50 N ATOM 972 CA ASP A 62 -3.874 13.012 1.723 1.00 0.53 C ATOM 973 C ASP A 62 -2.674 12.086 1.987 1.00 0.49 C ATOM 974 O ASP A 62 -1.531 12.424 1.686 1.00 0.59 O ATOM 975 CB ASP A 62 -4.484 13.437 3.070 1.00 0.59 C ATOM 976 CG ASP A 62 -5.310 14.716 2.965 1.00 1.94 C ATOM 977 OD1 ASP A 62 -4.688 15.799 3.025 1.00 2.65 O ATOM 978 OD2 ASP A 62 -6.548 14.582 2.848 1.00 3.42 O ATOM 0 H ASP A 62 -5.851 12.525 1.313 1.00 0.50 H new ATOM 0 HA ASP A 62 -3.496 13.867 1.162 1.00 0.53 H new ATOM 0 HB2 ASP A 62 -5.114 12.632 3.449 1.00 0.59 H new ATOM 0 HB3 ASP A 62 -3.684 13.584 3.796 1.00 0.59 H new ATOM 983 N GLU A 63 -2.933 10.914 2.577 1.00 0.44 N ATOM 984 CA GLU A 63 -1.927 9.871 2.804 1.00 0.45 C ATOM 985 C GLU A 63 -1.625 9.111 1.518 1.00 0.44 C ATOM 986 O GLU A 63 -0.485 8.696 1.291 1.00 0.47 O ATOM 987 CB GLU A 63 -2.476 8.876 3.828 1.00 0.59 C ATOM 988 CG GLU A 63 -2.383 9.431 5.252 1.00 0.63 C ATOM 989 CD GLU A 63 -3.422 8.820 6.192 1.00 0.89 C ATOM 990 OE1 GLU A 63 -4.525 8.419 5.745 1.00 1.07 O ATOM 991 OE2 GLU A 63 -3.152 8.792 7.408 1.00 2.37 O ATOM 0 H GLU A 63 -3.861 10.660 2.915 1.00 0.44 H new ATOM 0 HA GLU A 63 -1.012 10.344 3.160 1.00 0.45 H new ATOM 0 HB2 GLU A 63 -3.515 8.646 3.593 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -1.920 7.941 3.763 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -1.385 9.241 5.647 1.00 0.63 H new ATOM 0 HG3 GLU A 63 -2.515 10.513 5.225 1.00 0.63 H new ATOM 998 N LEU A 64 -2.656 8.929 0.683 1.00 0.47 N ATOM 999 CA LEU A 64 -2.605 8.135 -0.531 1.00 0.54 C ATOM 1000 C LEU A 64 -1.475 8.570 -1.472 1.00 0.51 C ATOM 1001 O LEU A 64 -0.854 7.716 -2.099 1.00 0.65 O ATOM 1002 CB LEU A 64 -3.977 8.138 -1.198 1.00 0.61 C ATOM 1003 CG LEU A 64 -4.233 6.891 -2.050 1.00 0.54 C ATOM 1004 CD1 LEU A 64 -5.647 6.346 -1.855 1.00 1.15 C ATOM 1005 CD2 LEU A 64 -4.037 7.254 -3.515 1.00 0.98 C ATOM 0 H LEU A 64 -3.572 9.347 0.847 1.00 0.47 H new ATOM 0 HA LEU A 64 -2.361 7.106 -0.266 1.00 0.54 H new ATOM 0 HB2 LEU A 64 -4.747 8.211 -0.430 1.00 0.61 H new ATOM 0 HB3 LEU A 64 -4.067 9.025 -1.826 1.00 0.61 H new ATOM 0 HG LEU A 64 -3.532 6.116 -1.740 1.00 0.54 H new ATOM 0 HD11 LEU A 64 -5.785 5.462 -2.478 1.00 1.15 H new ATOM 0 HD12 LEU A 64 -5.793 6.079 -0.808 1.00 1.15 H new ATOM 0 HD13 LEU A 64 -6.373 7.108 -2.140 1.00 1.15 H new ATOM 0 HD21 LEU A 64 -4.216 6.375 -4.135 1.00 0.98 H new ATOM 0 HD22 LEU A 64 -4.738 8.042 -3.792 1.00 0.98 H new ATOM 0 HD23 LEU A 64 -3.017 7.605 -3.669 1.00 0.98 H new ATOM 1017 N GLY A 65 -1.142 9.868 -1.486 1.00 0.42 N ATOM 1018 CA GLY A 65 0.022 10.423 -2.176 1.00 0.45 C ATOM 1019 C GLY A 65 1.367 9.726 -1.901 1.00 0.48 C ATOM 1020 O GLY A 65 2.246 9.795 -2.758 1.00 0.50 O ATOM 0 H GLY A 65 -1.693 10.578 -1.003 1.00 0.42 H new ATOM 0 HA2 GLY A 65 -0.168 10.392 -3.249 1.00 0.45 H new ATOM 0 HA3 GLY A 65 0.117 11.473 -1.899 1.00 0.45 H new ATOM 1024 N PHE A 66 1.567 9.067 -0.746 1.00 0.55 N ATOM 1025 CA PHE A 66 2.841 8.397 -0.431 1.00 0.71 C ATOM 1026 C PHE A 66 2.729 7.216 0.558 1.00 0.68 C ATOM 1027 O PHE A 66 3.618 7.022 1.388 1.00 0.71 O ATOM 1028 CB PHE A 66 3.903 9.448 -0.029 1.00 0.81 C ATOM 1029 CG PHE A 66 3.582 10.356 1.149 1.00 0.71 C ATOM 1030 CD1 PHE A 66 2.952 11.598 0.937 1.00 1.97 C ATOM 1031 CD2 PHE A 66 3.978 10.000 2.450 1.00 2.39 C ATOM 1032 CE1 PHE A 66 2.723 12.469 2.017 1.00 2.02 C ATOM 1033 CE2 PHE A 66 3.765 10.873 3.530 1.00 2.49 C ATOM 1034 CZ PHE A 66 3.135 12.112 3.314 1.00 1.08 C ATOM 0 H PHE A 66 0.861 8.984 -0.014 1.00 0.55 H new ATOM 0 HA PHE A 66 3.175 7.905 -1.345 1.00 0.71 H new ATOM 0 HB2 PHE A 66 4.830 8.920 0.196 1.00 0.81 H new ATOM 0 HB3 PHE A 66 4.097 10.079 -0.897 1.00 0.81 H new ATOM 0 HD1 PHE A 66 2.644 11.882 -0.058 1.00 1.97 H new ATOM 0 HD2 PHE A 66 4.451 9.044 2.621 1.00 2.39 H new ATOM 0 HE1 PHE A 66 2.229 13.415 1.850 1.00 2.02 H new ATOM 0 HE2 PHE A 66 4.084 10.594 4.523 1.00 2.49 H new ATOM 0 HZ PHE A 66 2.968 12.787 4.141 1.00 1.08 H new ATOM 1044 N ILE A 67 1.690 6.368 0.450 1.00 0.69 N ATOM 1045 CA ILE A 67 1.444 5.185 1.316 1.00 0.60 C ATOM 1046 C ILE A 67 2.710 4.319 1.503 1.00 0.57 C ATOM 1047 O ILE A 67 3.048 3.897 2.609 1.00 0.45 O ATOM 1048 CB ILE A 67 0.172 4.403 0.865 1.00 0.85 C ATOM 1049 CG1 ILE A 67 0.364 3.429 -0.305 1.00 1.27 C ATOM 1050 CG2 ILE A 67 -0.964 5.338 0.489 1.00 2.02 C ATOM 1051 CD1 ILE A 67 0.804 2.059 0.203 1.00 0.71 C ATOM 0 H ILE A 67 0.971 6.485 -0.264 1.00 0.69 H new ATOM 0 HA ILE A 67 1.217 5.541 2.321 1.00 0.60 H new ATOM 0 HB ILE A 67 -0.064 3.811 1.749 1.00 0.85 H new ATOM 0 HG12 ILE A 67 -0.568 3.334 -0.863 1.00 1.27 H new ATOM 0 HG13 ILE A 67 1.110 3.824 -0.995 1.00 1.27 H new ATOM 0 HG21 ILE A 67 -1.830 4.753 0.181 1.00 2.02 H new ATOM 0 HG22 ILE A 67 -1.229 5.953 1.349 1.00 2.02 H new ATOM 0 HG23 ILE A 67 -0.649 5.981 -0.333 1.00 2.02 H new ATOM 0 HD11 ILE A 67 0.935 1.383 -0.642 1.00 0.71 H new ATOM 0 HD12 ILE A 67 1.748 2.156 0.740 1.00 0.71 H new ATOM 0 HD13 ILE A 67 0.044 1.659 0.874 1.00 0.71 H new ATOM 1063 N LEU A 68 3.460 4.123 0.416 1.00 0.72 N ATOM 1064 CA LEU A 68 4.743 3.417 0.323 1.00 0.73 C ATOM 1065 C LEU A 68 5.813 3.937 1.289 1.00 0.65 C ATOM 1066 O LEU A 68 6.660 3.156 1.717 1.00 0.63 O ATOM 1067 CB LEU A 68 5.276 3.398 -1.130 1.00 1.03 C ATOM 1068 CG LEU A 68 4.657 4.435 -2.092 1.00 1.26 C ATOM 1069 CD1 LEU A 68 5.576 4.784 -3.249 1.00 1.18 C ATOM 1070 CD2 LEU A 68 3.336 3.905 -2.656 1.00 3.01 C ATOM 0 H LEU A 68 3.165 4.481 -0.492 1.00 0.72 H new ATOM 0 HA LEU A 68 4.530 2.394 0.633 1.00 0.73 H new ATOM 0 HB2 LEU A 68 6.354 3.556 -1.102 1.00 1.03 H new ATOM 0 HB3 LEU A 68 5.110 2.403 -1.544 1.00 1.03 H new ATOM 0 HG LEU A 68 4.492 5.341 -1.509 1.00 1.26 H new ATOM 0 HD11 LEU A 68 5.089 5.517 -3.892 1.00 1.18 H new ATOM 0 HD12 LEU A 68 6.506 5.202 -2.862 1.00 1.18 H new ATOM 0 HD13 LEU A 68 5.794 3.884 -3.824 1.00 1.18 H new ATOM 0 HD21 LEU A 68 2.907 4.644 -3.333 1.00 3.01 H new ATOM 0 HD22 LEU A 68 3.518 2.977 -3.199 1.00 3.01 H new ATOM 0 HD23 LEU A 68 2.641 3.716 -1.838 1.00 3.01 H new ATOM 1082 N LYS A 69 5.763 5.214 1.691 1.00 0.70 N ATOM 1083 CA LYS A 69 6.700 5.782 2.666 1.00 0.83 C ATOM 1084 C LYS A 69 6.486 5.225 4.081 1.00 0.73 C ATOM 1085 O LYS A 69 7.377 5.345 4.916 1.00 0.96 O ATOM 1086 CB LYS A 69 6.602 7.313 2.629 1.00 1.07 C ATOM 1087 CG LYS A 69 7.958 7.998 2.839 1.00 0.81 C ATOM 1088 CD LYS A 69 7.788 9.521 2.871 1.00 1.93 C ATOM 1089 CE LYS A 69 9.157 10.201 2.980 1.00 1.97 C ATOM 1090 NZ LYS A 69 9.023 11.663 3.176 1.00 3.23 N ATOM 0 H LYS A 69 5.072 5.881 1.349 1.00 0.70 H new ATOM 0 HA LYS A 69 7.711 5.485 2.387 1.00 0.83 H new ATOM 0 HB2 LYS A 69 6.187 7.623 1.670 1.00 1.07 H new ATOM 0 HB3 LYS A 69 5.907 7.647 3.400 1.00 1.07 H new ATOM 0 HG2 LYS A 69 8.405 7.656 3.773 1.00 0.81 H new ATOM 0 HG3 LYS A 69 8.642 7.719 2.037 1.00 0.81 H new ATOM 0 HD2 LYS A 69 7.277 9.857 1.969 1.00 1.93 H new ATOM 0 HD3 LYS A 69 7.163 9.807 3.717 1.00 1.93 H new ATOM 0 HE2 LYS A 69 9.713 9.771 3.813 1.00 1.97 H new ATOM 0 HE3 LYS A 69 9.735 10.005 2.077 1.00 1.97 H new ATOM 0 HZ1 LYS A 69 9.968 12.092 3.246 1.00 3.23 H new ATOM 0 HZ2 LYS A 69 8.514 12.076 2.369 1.00 3.23 H new ATOM 0 HZ3 LYS A 69 8.493 11.849 4.051 1.00 3.23 H new ATOM 1104 N GLY A 70 5.335 4.583 4.334 1.00 0.51 N ATOM 1105 CA GLY A 70 5.101 3.756 5.516 1.00 0.55 C ATOM 1106 C GLY A 70 5.574 2.311 5.336 1.00 0.48 C ATOM 1107 O GLY A 70 5.963 1.681 6.315 1.00 0.72 O ATOM 0 H GLY A 70 4.530 4.628 3.709 1.00 0.51 H new ATOM 0 HA2 GLY A 70 5.615 4.198 6.370 1.00 0.55 H new ATOM 0 HA3 GLY A 70 4.036 3.758 5.749 1.00 0.55 H new ATOM 1111 N PHE A 71 5.602 1.784 4.105 1.00 0.36 N ATOM 1112 CA PHE A 71 6.255 0.505 3.822 1.00 0.41 C ATOM 1113 C PHE A 71 7.771 0.567 4.054 1.00 0.43 C ATOM 1114 O PHE A 71 8.301 -0.364 4.659 1.00 0.58 O ATOM 1115 CB PHE A 71 5.928 0.009 2.404 1.00 0.45 C ATOM 1116 CG PHE A 71 4.646 -0.789 2.308 1.00 0.62 C ATOM 1117 CD1 PHE A 71 4.626 -2.089 2.836 1.00 2.49 C ATOM 1118 CD2 PHE A 71 3.514 -0.297 1.628 1.00 1.76 C ATOM 1119 CE1 PHE A 71 3.468 -2.872 2.732 1.00 2.78 C ATOM 1120 CE2 PHE A 71 2.369 -1.101 1.484 1.00 1.61 C ATOM 1121 CZ PHE A 71 2.335 -2.380 2.061 1.00 1.20 C ATOM 0 H PHE A 71 5.178 2.227 3.290 1.00 0.36 H new ATOM 0 HA PHE A 71 5.852 -0.220 4.530 1.00 0.41 H new ATOM 0 HB2 PHE A 71 5.859 0.868 1.737 1.00 0.45 H new ATOM 0 HB3 PHE A 71 6.754 -0.606 2.047 1.00 0.45 H new ATOM 0 HD1 PHE A 71 5.504 -2.487 3.323 1.00 2.49 H new ATOM 0 HD2 PHE A 71 3.526 0.701 1.216 1.00 1.76 H new ATOM 0 HE1 PHE A 71 3.446 -3.859 3.170 1.00 2.78 H new ATOM 0 HE2 PHE A 71 1.517 -0.735 0.930 1.00 1.61 H new ATOM 0 HZ PHE A 71 1.442 -2.984 1.990 1.00 1.20 H new ATOM 1131 N SER A 72 8.463 1.624 3.587 1.00 0.37 N ATOM 1132 CA SER A 72 9.892 1.870 3.833 1.00 0.36 C ATOM 1133 C SER A 72 10.311 3.234 3.257 1.00 0.42 C ATOM 1134 O SER A 72 9.512 3.863 2.558 1.00 0.53 O ATOM 1135 CB SER A 72 10.720 0.743 3.194 1.00 0.43 C ATOM 1136 OG SER A 72 11.434 0.043 4.193 1.00 0.86 O ATOM 0 H SER A 72 8.030 2.348 3.014 1.00 0.37 H new ATOM 0 HA SER A 72 10.073 1.886 4.908 1.00 0.36 H new ATOM 0 HB2 SER A 72 10.064 0.058 2.657 1.00 0.43 H new ATOM 0 HB3 SER A 72 11.414 1.159 2.463 1.00 0.43 H new ATOM 0 HG SER A 72 10.802 -0.402 4.796 1.00 0.86 H new ATOM 1142 N PRO A 73 11.552 3.711 3.490 1.00 0.43 N ATOM 1143 CA PRO A 73 12.077 4.867 2.771 1.00 0.49 C ATOM 1144 C PRO A 73 12.287 4.559 1.276 1.00 0.53 C ATOM 1145 O PRO A 73 12.033 3.456 0.800 1.00 0.55 O ATOM 1146 CB PRO A 73 13.369 5.243 3.504 1.00 0.50 C ATOM 1147 CG PRO A 73 13.864 3.908 4.048 1.00 0.46 C ATOM 1148 CD PRO A 73 12.571 3.165 4.380 1.00 0.43 C ATOM 0 HA PRO A 73 11.381 5.706 2.770 1.00 0.49 H new ATOM 0 HB2 PRO A 73 14.096 5.698 2.831 1.00 0.50 H new ATOM 0 HB3 PRO A 73 13.184 5.960 4.304 1.00 0.50 H new ATOM 0 HG2 PRO A 73 14.460 3.369 3.311 1.00 0.46 H new ATOM 0 HG3 PRO A 73 14.490 4.040 4.930 1.00 0.46 H new ATOM 0 HD2 PRO A 73 12.688 2.092 4.227 1.00 0.43 H new ATOM 0 HD3 PRO A 73 12.295 3.310 5.424 1.00 0.43 H new ATOM 1156 N ASP A 74 12.690 5.592 0.531 1.00 0.61 N ATOM 1157 CA ASP A 74 12.939 5.654 -0.928 1.00 0.71 C ATOM 1158 C ASP A 74 11.681 5.620 -1.811 1.00 0.68 C ATOM 1159 O ASP A 74 11.772 5.893 -3.009 1.00 0.76 O ATOM 1160 CB ASP A 74 13.987 4.620 -1.383 1.00 0.95 C ATOM 1161 CG ASP A 74 15.378 5.035 -0.920 1.00 2.13 C ATOM 1162 OD1 ASP A 74 15.964 5.875 -1.642 1.00 2.37 O ATOM 1163 OD2 ASP A 74 15.813 4.543 0.144 1.00 3.76 O ATOM 0 H ASP A 74 12.870 6.496 0.967 1.00 0.61 H new ATOM 0 HA ASP A 74 13.354 6.650 -1.084 1.00 0.71 H new ATOM 0 HB2 ASP A 74 13.739 3.639 -0.977 1.00 0.95 H new ATOM 0 HB3 ASP A 74 13.970 4.529 -2.469 1.00 0.95 H new ATOM 1168 N ALA A 75 10.522 5.386 -1.189 1.00 0.83 N ATOM 1169 CA ALA A 75 9.155 5.371 -1.705 1.00 0.99 C ATOM 1170 C ALA A 75 8.813 6.472 -2.721 1.00 1.15 C ATOM 1171 O ALA A 75 8.449 6.158 -3.853 1.00 2.13 O ATOM 1172 CB ALA A 75 8.252 5.455 -0.474 1.00 1.03 C ATOM 0 H ALA A 75 10.523 5.178 -0.191 1.00 0.83 H new ATOM 0 HA ALA A 75 9.012 4.459 -2.285 1.00 0.99 H new ATOM 0 HB1 ALA A 75 7.208 5.448 -0.787 1.00 1.03 H new ATOM 0 HB2 ALA A 75 8.441 4.600 0.175 1.00 1.03 H new ATOM 0 HB3 ALA A 75 8.462 6.376 0.069 1.00 1.03 H new ATOM 1178 N ARG A 76 8.930 7.740 -2.296 1.00 0.65 N ATOM 1179 CA ARG A 76 8.579 8.984 -3.019 1.00 0.58 C ATOM 1180 C ARG A 76 7.069 9.247 -3.035 1.00 0.55 C ATOM 1181 O ARG A 76 6.257 8.446 -2.573 1.00 0.69 O ATOM 1182 CB ARG A 76 9.192 9.061 -4.446 1.00 0.64 C ATOM 1183 CG ARG A 76 10.593 8.449 -4.450 1.00 0.65 C ATOM 1184 CD ARG A 76 11.549 8.723 -5.599 1.00 0.85 C ATOM 1185 NE ARG A 76 12.785 7.976 -5.291 1.00 1.92 N ATOM 1186 CZ ARG A 76 14.035 8.313 -5.566 1.00 2.39 C ATOM 1187 NH1 ARG A 76 14.313 9.312 -6.372 1.00 2.43 N ATOM 1188 NH2 ARG A 76 15.031 7.655 -5.016 1.00 3.42 N ATOM 0 H ARG A 76 9.300 7.944 -1.368 1.00 0.65 H new ATOM 0 HA ARG A 76 9.039 9.789 -2.447 1.00 0.58 H new ATOM 0 HB2 ARG A 76 8.554 8.532 -5.153 1.00 0.64 H new ATOM 0 HB3 ARG A 76 9.239 10.099 -4.774 1.00 0.64 H new ATOM 0 HG2 ARG A 76 11.088 8.773 -3.535 1.00 0.65 H new ATOM 0 HG3 ARG A 76 10.472 7.368 -4.382 1.00 0.65 H new ATOM 0 HD2 ARG A 76 11.122 8.396 -6.547 1.00 0.85 H new ATOM 0 HD3 ARG A 76 11.751 9.790 -5.691 1.00 0.85 H new ATOM 0 HE ARG A 76 12.660 7.088 -4.805 1.00 1.92 H new ATOM 0 HH11 ARG A 76 13.558 9.847 -6.801 1.00 2.43 H new ATOM 0 HH12 ARG A 76 15.284 9.553 -6.569 1.00 2.43 H new ATOM 0 HH21 ARG A 76 14.841 6.884 -4.376 1.00 3.42 H new ATOM 0 HH22 ARG A 76 15.994 7.916 -5.229 1.00 3.42 H new ATOM 1202 N ASP A 77 6.722 10.426 -3.536 1.00 0.51 N ATOM 1203 CA ASP A 77 5.385 10.843 -3.920 1.00 0.52 C ATOM 1204 C ASP A 77 4.933 10.097 -5.186 1.00 0.57 C ATOM 1205 O ASP A 77 5.567 10.183 -6.237 1.00 0.71 O ATOM 1206 CB ASP A 77 5.367 12.375 -4.108 1.00 0.58 C ATOM 1207 CG ASP A 77 6.492 12.945 -4.993 1.00 2.06 C ATOM 1208 OD1 ASP A 77 7.675 12.650 -4.686 1.00 3.13 O ATOM 1209 OD2 ASP A 77 6.166 13.724 -5.915 1.00 3.10 O ATOM 0 H ASP A 77 7.412 11.160 -3.694 1.00 0.51 H new ATOM 0 HA ASP A 77 4.675 10.589 -3.133 1.00 0.52 H new ATOM 0 HB2 ASP A 77 4.408 12.660 -4.541 1.00 0.58 H new ATOM 0 HB3 ASP A 77 5.426 12.845 -3.126 1.00 0.58 H new ATOM 1214 N LEU A 78 3.827 9.357 -5.072 1.00 0.51 N ATOM 1215 CA LEU A 78 3.075 8.820 -6.210 1.00 0.53 C ATOM 1216 C LEU A 78 2.622 9.934 -7.171 1.00 0.39 C ATOM 1217 O LEU A 78 2.383 11.071 -6.761 1.00 0.40 O ATOM 1218 CB LEU A 78 1.823 8.075 -5.710 1.00 0.66 C ATOM 1219 CG LEU A 78 2.046 6.778 -4.918 1.00 0.84 C ATOM 1220 CD1 LEU A 78 0.679 6.132 -4.671 1.00 1.29 C ATOM 1221 CD2 LEU A 78 2.903 5.774 -5.693 1.00 1.50 C ATOM 0 H LEU A 78 3.421 9.110 -4.169 1.00 0.51 H new ATOM 0 HA LEU A 78 3.740 8.141 -6.744 1.00 0.53 H new ATOM 0 HB2 LEU A 78 1.251 8.759 -5.083 1.00 0.66 H new ATOM 0 HB3 LEU A 78 1.202 7.840 -6.575 1.00 0.66 H new ATOM 0 HG LEU A 78 2.561 7.029 -3.991 1.00 0.84 H new ATOM 0 HD11 LEU A 78 0.810 5.207 -4.109 1.00 1.29 H new ATOM 0 HD12 LEU A 78 0.051 6.817 -4.102 1.00 1.29 H new ATOM 0 HD13 LEU A 78 0.203 5.912 -5.626 1.00 1.29 H new ATOM 0 HD21 LEU A 78 3.036 4.872 -5.096 1.00 1.50 H new ATOM 0 HD22 LEU A 78 2.408 5.520 -6.630 1.00 1.50 H new ATOM 0 HD23 LEU A 78 3.877 6.215 -5.906 1.00 1.50 H new ATOM 1233 N SER A 79 2.416 9.589 -8.447 1.00 0.41 N ATOM 1234 CA SER A 79 1.848 10.524 -9.424 1.00 0.37 C ATOM 1235 C SER A 79 0.374 10.843 -9.122 1.00 0.30 C ATOM 1236 O SER A 79 -0.367 10.039 -8.556 1.00 0.31 O ATOM 1237 CB SER A 79 2.029 9.963 -10.839 1.00 0.43 C ATOM 1238 OG SER A 79 1.500 10.836 -11.818 1.00 1.07 O ATOM 0 H SER A 79 2.635 8.668 -8.827 1.00 0.41 H new ATOM 0 HA SER A 79 2.386 11.469 -9.352 1.00 0.37 H new ATOM 0 HB2 SER A 79 3.089 9.798 -11.033 1.00 0.43 H new ATOM 0 HB3 SER A 79 1.537 8.993 -10.912 1.00 0.43 H new ATOM 0 HG SER A 79 1.634 10.449 -12.708 1.00 1.07 H new ATOM 1244 N ALA A 80 -0.098 12.009 -9.577 1.00 0.37 N ATOM 1245 CA ALA A 80 -1.503 12.409 -9.462 1.00 0.41 C ATOM 1246 C ALA A 80 -2.451 11.425 -10.171 1.00 0.38 C ATOM 1247 O ALA A 80 -3.555 11.158 -9.691 1.00 0.45 O ATOM 1248 CB ALA A 80 -1.645 13.822 -10.039 1.00 0.54 C ATOM 0 H ALA A 80 0.488 12.705 -10.038 1.00 0.37 H new ATOM 0 HA ALA A 80 -1.790 12.398 -8.411 1.00 0.41 H new ATOM 0 HB1 ALA A 80 -2.684 14.143 -9.965 1.00 0.54 H new ATOM 0 HB2 ALA A 80 -1.012 14.509 -9.478 1.00 0.54 H new ATOM 0 HB3 ALA A 80 -1.340 13.820 -11.085 1.00 0.54 H new ATOM 1254 N LYS A 81 -2.001 10.865 -11.304 1.00 0.37 N ATOM 1255 CA LYS A 81 -2.708 9.843 -12.091 1.00 0.41 C ATOM 1256 C LYS A 81 -2.851 8.537 -11.299 1.00 0.42 C ATOM 1257 O LYS A 81 -3.932 7.949 -11.224 1.00 0.47 O ATOM 1258 CB LYS A 81 -1.944 9.590 -13.402 1.00 0.46 C ATOM 1259 CG LYS A 81 -1.476 10.861 -14.128 1.00 0.49 C ATOM 1260 CD LYS A 81 -1.214 10.614 -15.622 1.00 2.05 C ATOM 1261 CE LYS A 81 -2.498 10.737 -16.450 1.00 2.33 C ATOM 1262 NZ LYS A 81 -2.977 12.141 -16.498 1.00 2.78 N ATOM 0 H LYS A 81 -1.102 11.121 -11.712 1.00 0.37 H new ATOM 0 HA LYS A 81 -3.710 10.207 -12.317 1.00 0.41 H new ATOM 0 HB2 LYS A 81 -1.074 8.970 -13.186 1.00 0.46 H new ATOM 0 HB3 LYS A 81 -2.583 9.018 -14.075 1.00 0.46 H new ATOM 0 HG2 LYS A 81 -2.231 11.639 -14.017 1.00 0.49 H new ATOM 0 HG3 LYS A 81 -0.565 11.231 -13.658 1.00 0.49 H new ATOM 0 HD2 LYS A 81 -0.477 11.330 -15.985 1.00 2.05 H new ATOM 0 HD3 LYS A 81 -0.787 9.620 -15.757 1.00 2.05 H new ATOM 0 HE2 LYS A 81 -2.316 10.378 -17.463 1.00 2.33 H new ATOM 0 HE3 LYS A 81 -3.272 10.101 -16.021 1.00 2.33 H new ATOM 0 HZ1 LYS A 81 -3.605 12.266 -17.318 1.00 2.78 H new ATOM 0 HZ2 LYS A 81 -3.499 12.360 -15.625 1.00 2.78 H new ATOM 0 HZ3 LYS A 81 -2.163 12.783 -16.585 1.00 2.78 H new ATOM 1276 N GLU A 82 -1.758 8.181 -10.626 1.00 0.42 N ATOM 1277 CA GLU A 82 -1.597 7.064 -9.709 1.00 0.41 C ATOM 1278 C GLU A 82 -2.591 7.191 -8.564 1.00 0.37 C ATOM 1279 O GLU A 82 -3.428 6.314 -8.395 1.00 0.38 O ATOM 1280 CB GLU A 82 -0.146 7.093 -9.207 1.00 0.52 C ATOM 1281 CG GLU A 82 0.525 5.732 -9.145 1.00 0.70 C ATOM 1282 CD GLU A 82 2.060 5.803 -9.174 1.00 2.07 C ATOM 1283 OE1 GLU A 82 2.616 6.931 -9.238 1.00 3.31 O ATOM 1284 OE2 GLU A 82 2.670 4.714 -9.211 1.00 2.84 O ATOM 0 H GLU A 82 -0.893 8.714 -10.719 1.00 0.42 H new ATOM 0 HA GLU A 82 -1.795 6.111 -10.200 1.00 0.41 H new ATOM 0 HB2 GLU A 82 0.438 7.743 -9.859 1.00 0.52 H new ATOM 0 HB3 GLU A 82 -0.127 7.539 -8.213 1.00 0.52 H new ATOM 0 HG2 GLU A 82 0.210 5.222 -8.235 1.00 0.70 H new ATOM 0 HG3 GLU A 82 0.181 5.128 -9.985 1.00 0.70 H new ATOM 1291 N THR A 83 -2.560 8.320 -7.842 1.00 0.39 N ATOM 1292 CA THR A 83 -3.530 8.682 -6.801 1.00 0.45 C ATOM 1293 C THR A 83 -4.971 8.554 -7.296 1.00 0.47 C ATOM 1294 O THR A 83 -5.784 7.935 -6.612 1.00 0.52 O ATOM 1295 CB THR A 83 -3.211 10.085 -6.253 1.00 0.59 C ATOM 1296 OG1 THR A 83 -2.129 9.956 -5.363 1.00 1.46 O ATOM 1297 CG2 THR A 83 -4.345 10.771 -5.486 1.00 1.55 C ATOM 0 H THR A 83 -1.837 9.028 -7.971 1.00 0.39 H new ATOM 0 HA THR A 83 -3.439 7.975 -5.977 1.00 0.45 H new ATOM 0 HB THR A 83 -3.011 10.707 -7.125 1.00 0.59 H new ATOM 0 HG1 THR A 83 -1.900 10.836 -4.997 1.00 1.46 H new ATOM 0 HG21 THR A 83 -4.013 11.752 -5.145 1.00 1.55 H new ATOM 0 HG22 THR A 83 -5.209 10.888 -6.141 1.00 1.55 H new ATOM 0 HG23 THR A 83 -4.622 10.163 -4.625 1.00 1.55 H new ATOM 1305 N LYS A 84 -5.286 9.079 -8.491 1.00 0.48 N ATOM 1306 CA LYS A 84 -6.604 8.945 -9.130 1.00 0.55 C ATOM 1307 C LYS A 84 -7.067 7.487 -9.222 1.00 0.48 C ATOM 1308 O LYS A 84 -8.136 7.160 -8.704 1.00 0.55 O ATOM 1309 CB LYS A 84 -6.601 9.649 -10.505 1.00 0.62 C ATOM 1310 CG LYS A 84 -7.467 10.914 -10.473 1.00 1.24 C ATOM 1311 CD LYS A 84 -7.134 11.867 -11.628 1.00 1.47 C ATOM 1312 CE LYS A 84 -8.041 13.098 -11.520 1.00 2.39 C ATOM 1313 NZ LYS A 84 -7.614 14.183 -12.434 1.00 2.96 N ATOM 0 H LYS A 84 -4.622 9.616 -9.048 1.00 0.48 H new ATOM 0 HA LYS A 84 -7.337 9.443 -8.495 1.00 0.55 H new ATOM 0 HB2 LYS A 84 -5.580 9.909 -10.783 1.00 0.62 H new ATOM 0 HB3 LYS A 84 -6.975 8.967 -11.268 1.00 0.62 H new ATOM 0 HG2 LYS A 84 -8.519 10.635 -10.525 1.00 1.24 H new ATOM 0 HG3 LYS A 84 -7.321 11.430 -9.524 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -6.086 12.164 -11.584 1.00 1.47 H new ATOM 0 HD3 LYS A 84 -7.284 11.369 -12.586 1.00 1.47 H new ATOM 0 HE2 LYS A 84 -9.068 12.813 -11.750 1.00 2.39 H new ATOM 0 HE3 LYS A 84 -8.034 13.465 -10.494 1.00 2.39 H new ATOM 0 HZ1 LYS A 84 -8.253 14.997 -12.330 1.00 2.96 H new ATOM 0 HZ2 LYS A 84 -6.643 14.473 -12.199 1.00 2.96 H new ATOM 0 HZ3 LYS A 84 -7.645 13.842 -13.416 1.00 2.96 H new ATOM 1327 N MET A 85 -6.286 6.614 -9.871 1.00 0.42 N ATOM 1328 CA MET A 85 -6.687 5.212 -10.026 1.00 0.47 C ATOM 1329 C MET A 85 -6.549 4.397 -8.734 1.00 0.45 C ATOM 1330 O MET A 85 -7.412 3.571 -8.465 1.00 0.53 O ATOM 1331 CB MET A 85 -5.939 4.562 -11.200 1.00 0.60 C ATOM 1332 CG MET A 85 -6.464 3.143 -11.468 1.00 1.65 C ATOM 1333 SD MET A 85 -6.086 2.473 -13.110 1.00 2.20 S ATOM 1334 CE MET A 85 -7.340 3.334 -14.099 1.00 2.47 C ATOM 0 H MET A 85 -5.387 6.849 -10.291 1.00 0.42 H new ATOM 0 HA MET A 85 -7.752 5.210 -10.256 1.00 0.47 H new ATOM 0 HB2 MET A 85 -6.058 5.173 -12.095 1.00 0.60 H new ATOM 0 HB3 MET A 85 -4.872 4.524 -10.980 1.00 0.60 H new ATOM 0 HG2 MET A 85 -6.049 2.472 -10.716 1.00 1.65 H new ATOM 0 HG3 MET A 85 -7.546 3.142 -11.334 1.00 1.65 H new ATOM 0 HE1 MET A 85 -7.248 3.035 -15.143 1.00 2.47 H new ATOM 0 HE2 MET A 85 -8.333 3.074 -13.733 1.00 2.47 H new ATOM 0 HE3 MET A 85 -7.193 4.411 -14.016 1.00 2.47 H new ATOM 1344 N LEU A 86 -5.523 4.636 -7.912 1.00 0.41 N ATOM 1345 CA LEU A 86 -5.332 3.983 -6.618 1.00 0.45 C ATOM 1346 C LEU A 86 -6.446 4.333 -5.630 1.00 0.51 C ATOM 1347 O LEU A 86 -6.838 3.462 -4.866 1.00 0.67 O ATOM 1348 CB LEU A 86 -3.946 4.334 -6.055 1.00 0.46 C ATOM 1349 CG LEU A 86 -3.660 3.783 -4.641 1.00 0.71 C ATOM 1350 CD1 LEU A 86 -3.792 2.258 -4.578 1.00 1.85 C ATOM 1351 CD2 LEU A 86 -2.256 4.214 -4.217 1.00 1.62 C ATOM 0 H LEU A 86 -4.786 5.305 -8.135 1.00 0.41 H new ATOM 0 HA LEU A 86 -5.383 2.905 -6.770 1.00 0.45 H new ATOM 0 HB2 LEU A 86 -3.186 3.954 -6.738 1.00 0.46 H new ATOM 0 HB3 LEU A 86 -3.842 5.419 -6.034 1.00 0.46 H new ATOM 0 HG LEU A 86 -4.402 4.192 -3.956 1.00 0.71 H new ATOM 0 HD11 LEU A 86 -3.582 1.916 -3.565 1.00 1.85 H new ATOM 0 HD12 LEU A 86 -4.806 1.969 -4.856 1.00 1.85 H new ATOM 0 HD13 LEU A 86 -3.083 1.803 -5.269 1.00 1.85 H new ATOM 0 HD21 LEU A 86 -2.043 3.830 -3.219 1.00 1.62 H new ATOM 0 HD22 LEU A 86 -1.525 3.817 -4.922 1.00 1.62 H new ATOM 0 HD23 LEU A 86 -2.197 5.302 -4.207 1.00 1.62 H new ATOM 1363 N MET A 87 -6.999 5.551 -5.652 1.00 0.51 N ATOM 1364 CA MET A 87 -8.210 5.856 -4.891 1.00 0.61 C ATOM 1365 C MET A 87 -9.351 4.917 -5.312 1.00 0.56 C ATOM 1366 O MET A 87 -9.828 4.136 -4.490 1.00 0.59 O ATOM 1367 CB MET A 87 -8.548 7.349 -5.025 1.00 0.73 C ATOM 1368 CG MET A 87 -9.751 7.747 -4.165 1.00 1.14 C ATOM 1369 SD MET A 87 -11.374 7.617 -4.966 1.00 2.55 S ATOM 1370 CE MET A 87 -11.428 9.227 -5.798 1.00 2.29 C ATOM 0 H MET A 87 -6.627 6.336 -6.187 1.00 0.51 H new ATOM 0 HA MET A 87 -8.048 5.673 -3.829 1.00 0.61 H new ATOM 0 HB2 MET A 87 -7.682 7.944 -4.734 1.00 0.73 H new ATOM 0 HB3 MET A 87 -8.757 7.581 -6.069 1.00 0.73 H new ATOM 0 HG2 MET A 87 -9.757 7.123 -3.272 1.00 1.14 H new ATOM 0 HG3 MET A 87 -9.612 8.776 -3.834 1.00 1.14 H new ATOM 0 HE1 MET A 87 -12.366 9.322 -6.346 1.00 2.29 H new ATOM 0 HE2 MET A 87 -11.359 10.022 -5.056 1.00 2.29 H new ATOM 0 HE3 MET A 87 -10.592 9.306 -6.493 1.00 2.29 H new ATOM 1380 N ALA A 88 -9.733 4.943 -6.596 1.00 0.54 N ATOM 1381 CA ALA A 88 -10.826 4.136 -7.139 1.00 0.55 C ATOM 1382 C ALA A 88 -10.616 2.616 -6.979 1.00 0.54 C ATOM 1383 O ALA A 88 -11.514 1.919 -6.518 1.00 0.66 O ATOM 1384 CB ALA A 88 -11.018 4.519 -8.611 1.00 0.60 C ATOM 0 H ALA A 88 -9.283 5.535 -7.294 1.00 0.54 H new ATOM 0 HA ALA A 88 -11.725 4.354 -6.563 1.00 0.55 H new ATOM 0 HB1 ALA A 88 -11.829 3.929 -9.038 1.00 0.60 H new ATOM 0 HB2 ALA A 88 -11.264 5.579 -8.682 1.00 0.60 H new ATOM 0 HB3 ALA A 88 -10.098 4.322 -9.161 1.00 0.60 H new ATOM 1390 N ALA A 89 -9.449 2.093 -7.372 1.00 0.50 N ATOM 1391 CA ALA A 89 -9.120 0.670 -7.292 1.00 0.51 C ATOM 1392 C ALA A 89 -8.875 0.219 -5.848 1.00 0.52 C ATOM 1393 O ALA A 89 -9.353 -0.841 -5.456 1.00 0.67 O ATOM 1394 CB ALA A 89 -7.890 0.389 -8.166 1.00 0.62 C ATOM 0 H ALA A 89 -8.695 2.659 -7.761 1.00 0.50 H new ATOM 0 HA ALA A 89 -9.971 0.097 -7.660 1.00 0.51 H new ATOM 0 HB1 ALA A 89 -7.639 -0.670 -8.111 1.00 0.62 H new ATOM 0 HB2 ALA A 89 -8.109 0.657 -9.200 1.00 0.62 H new ATOM 0 HB3 ALA A 89 -7.047 0.981 -7.809 1.00 0.62 H new ATOM 1400 N GLY A 90 -8.143 1.019 -5.061 1.00 0.52 N ATOM 1401 CA GLY A 90 -7.859 0.796 -3.646 1.00 0.67 C ATOM 1402 C GLY A 90 -9.126 0.634 -2.817 1.00 0.61 C ATOM 1403 O GLY A 90 -9.281 -0.349 -2.093 1.00 0.67 O ATOM 0 H GLY A 90 -7.716 1.876 -5.413 1.00 0.52 H new ATOM 0 HA2 GLY A 90 -7.242 -0.096 -3.539 1.00 0.67 H new ATOM 0 HA3 GLY A 90 -7.279 1.634 -3.258 1.00 0.67 H new ATOM 1407 N ASP A 91 -10.056 1.580 -2.953 1.00 0.58 N ATOM 1408 CA ASP A 91 -11.400 1.505 -2.388 1.00 0.60 C ATOM 1409 C ASP A 91 -12.298 0.496 -3.149 1.00 0.52 C ATOM 1410 O ASP A 91 -13.394 0.803 -3.617 1.00 0.56 O ATOM 1411 CB ASP A 91 -11.987 2.912 -2.411 1.00 0.71 C ATOM 1412 CG ASP A 91 -13.403 2.897 -1.868 1.00 0.89 C ATOM 1413 OD1 ASP A 91 -13.642 2.298 -0.790 1.00 0.86 O ATOM 1414 OD2 ASP A 91 -14.277 3.518 -2.500 1.00 1.36 O ATOM 0 H ASP A 91 -9.889 2.441 -3.473 1.00 0.58 H new ATOM 0 HA ASP A 91 -11.350 1.134 -1.364 1.00 0.60 H new ATOM 0 HB2 ASP A 91 -11.368 3.582 -1.814 1.00 0.71 H new ATOM 0 HB3 ASP A 91 -11.985 3.298 -3.430 1.00 0.71 H new ATOM 1419 N LYS A 92 -11.877 -0.764 -3.248 1.00 0.63 N ATOM 1420 CA LYS A 92 -12.630 -1.818 -3.953 1.00 0.70 C ATOM 1421 C LYS A 92 -13.993 -2.185 -3.358 1.00 0.64 C ATOM 1422 O LYS A 92 -14.756 -2.937 -3.956 1.00 0.83 O ATOM 1423 CB LYS A 92 -11.742 -3.044 -4.047 1.00 1.01 C ATOM 1424 CG LYS A 92 -11.438 -3.720 -2.698 1.00 2.11 C ATOM 1425 CD LYS A 92 -12.293 -4.943 -2.321 1.00 3.42 C ATOM 1426 CE LYS A 92 -11.970 -6.197 -3.145 1.00 4.09 C ATOM 1427 NZ LYS A 92 -12.792 -6.319 -4.369 1.00 4.16 N ATOM 0 H LYS A 92 -11.000 -1.091 -2.842 1.00 0.63 H new ATOM 0 HA LYS A 92 -12.881 -1.412 -4.933 1.00 0.70 H new ATOM 0 HB2 LYS A 92 -12.218 -3.772 -4.704 1.00 1.01 H new ATOM 0 HB3 LYS A 92 -10.800 -2.759 -4.516 1.00 1.01 H new ATOM 0 HG2 LYS A 92 -10.392 -4.026 -2.701 1.00 2.11 H new ATOM 0 HG3 LYS A 92 -11.550 -2.973 -1.912 1.00 2.11 H new ATOM 0 HD2 LYS A 92 -12.147 -5.166 -1.264 1.00 3.42 H new ATOM 0 HD3 LYS A 92 -13.346 -4.694 -2.452 1.00 3.42 H new ATOM 0 HE2 LYS A 92 -10.916 -6.179 -3.423 1.00 4.09 H new ATOM 0 HE3 LYS A 92 -12.121 -7.080 -2.524 1.00 4.09 H new ATOM 0 HZ1 LYS A 92 -12.968 -7.324 -4.571 1.00 4.16 H new ATOM 0 HZ2 LYS A 92 -13.699 -5.831 -4.228 1.00 4.16 H new ATOM 0 HZ3 LYS A 92 -12.288 -5.888 -5.170 1.00 4.16 H new ATOM 1441 N ASP A 93 -14.257 -1.676 -2.159 1.00 0.55 N ATOM 1442 CA ASP A 93 -15.509 -1.737 -1.412 1.00 0.62 C ATOM 1443 C ASP A 93 -16.451 -0.560 -1.745 1.00 0.59 C ATOM 1444 O ASP A 93 -17.629 -0.611 -1.405 1.00 0.76 O ATOM 1445 CB ASP A 93 -15.087 -1.746 0.061 1.00 0.85 C ATOM 1446 CG ASP A 93 -16.220 -1.695 1.082 1.00 0.89 C ATOM 1447 OD1 ASP A 93 -17.016 -2.653 1.127 1.00 1.46 O ATOM 1448 OD2 ASP A 93 -16.188 -0.710 1.859 1.00 1.43 O ATOM 0 H ASP A 93 -13.540 -1.167 -1.641 1.00 0.55 H new ATOM 0 HA ASP A 93 -16.089 -2.622 -1.671 1.00 0.62 H new ATOM 0 HB2 ASP A 93 -14.499 -2.646 0.245 1.00 0.85 H new ATOM 0 HB3 ASP A 93 -14.429 -0.895 0.235 1.00 0.85 H new ATOM 1453 N GLY A 94 -15.967 0.488 -2.429 1.00 0.51 N ATOM 1454 CA GLY A 94 -16.779 1.639 -2.824 1.00 0.60 C ATOM 1455 C GLY A 94 -17.165 2.578 -1.672 1.00 0.68 C ATOM 1456 O GLY A 94 -18.192 3.246 -1.775 1.00 0.98 O ATOM 0 H GLY A 94 -14.993 0.557 -2.724 1.00 0.51 H new ATOM 0 HA2 GLY A 94 -16.233 2.211 -3.574 1.00 0.60 H new ATOM 0 HA3 GLY A 94 -17.690 1.277 -3.301 1.00 0.60 H new ATOM 1460 N ASP A 95 -16.384 2.624 -0.579 1.00 0.56 N ATOM 1461 CA ASP A 95 -16.663 3.563 0.547 1.00 0.80 C ATOM 1462 C ASP A 95 -15.978 4.939 0.407 1.00 0.92 C ATOM 1463 O ASP A 95 -16.464 5.948 0.911 1.00 1.29 O ATOM 1464 CB ASP A 95 -16.360 2.920 1.918 1.00 1.05 C ATOM 1465 CG ASP A 95 -15.121 3.463 2.645 1.00 1.55 C ATOM 1466 OD1 ASP A 95 -15.209 4.460 3.389 1.00 2.92 O ATOM 1467 OD2 ASP A 95 -14.058 2.813 2.494 1.00 1.93 O ATOM 0 H ASP A 95 -15.563 2.035 -0.442 1.00 0.56 H new ATOM 0 HA ASP A 95 -17.733 3.762 0.492 1.00 0.80 H new ATOM 0 HB2 ASP A 95 -17.227 3.057 2.564 1.00 1.05 H new ATOM 0 HB3 ASP A 95 -16.235 1.847 1.776 1.00 1.05 H new ATOM 1472 N GLY A 96 -14.840 4.948 -0.280 1.00 0.84 N ATOM 1473 CA GLY A 96 -13.984 6.067 -0.656 1.00 1.00 C ATOM 1474 C GLY A 96 -12.559 6.004 -0.098 1.00 0.70 C ATOM 1475 O GLY A 96 -11.799 6.947 -0.312 1.00 0.97 O ATOM 0 H GLY A 96 -14.452 4.070 -0.626 1.00 0.84 H new ATOM 0 HA2 GLY A 96 -13.931 6.116 -1.744 1.00 1.00 H new ATOM 0 HA3 GLY A 96 -14.451 6.992 -0.318 1.00 1.00 H new ATOM 1479 N LYS A 97 -12.188 4.932 0.621 1.00 0.31 N ATOM 1480 CA LYS A 97 -10.875 4.772 1.265 1.00 0.28 C ATOM 1481 C LYS A 97 -10.323 3.356 1.131 1.00 0.37 C ATOM 1482 O LYS A 97 -11.090 2.393 1.113 1.00 0.49 O ATOM 1483 CB LYS A 97 -10.994 5.125 2.752 1.00 0.39 C ATOM 1484 CG LYS A 97 -11.119 6.636 2.974 1.00 0.49 C ATOM 1485 CD LYS A 97 -12.548 7.199 3.085 1.00 0.87 C ATOM 1486 CE LYS A 97 -13.092 7.207 4.517 1.00 1.64 C ATOM 1487 NZ LYS A 97 -13.612 5.886 4.936 1.00 2.90 N ATOM 0 H LYS A 97 -12.806 4.135 0.774 1.00 0.31 H new ATOM 0 HA LYS A 97 -10.182 5.443 0.758 1.00 0.28 H new ATOM 0 HB2 LYS A 97 -11.864 4.623 3.175 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -10.120 4.751 3.285 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -10.580 6.892 3.886 1.00 0.49 H new ATOM 0 HG3 LYS A 97 -10.615 7.144 2.152 1.00 0.49 H new ATOM 0 HD2 LYS A 97 -12.560 8.217 2.694 1.00 0.87 H new ATOM 0 HD3 LYS A 97 -13.213 6.608 2.455 1.00 0.87 H new ATOM 0 HE2 LYS A 97 -12.301 7.515 5.200 1.00 1.64 H new ATOM 0 HE3 LYS A 97 -13.888 7.948 4.595 1.00 1.64 H new ATOM 0 HZ1 LYS A 97 -14.493 6.014 5.474 1.00 2.90 H new ATOM 0 HZ2 LYS A 97 -13.802 5.305 4.095 1.00 2.90 H new ATOM 0 HZ3 LYS A 97 -12.907 5.409 5.534 1.00 2.90 H new ATOM 1501 N ILE A 98 -8.990 3.229 1.152 1.00 0.38 N ATOM 1502 CA ILE A 98 -8.309 1.936 1.327 1.00 0.43 C ATOM 1503 C ILE A 98 -8.468 1.528 2.788 1.00 0.47 C ATOM 1504 O ILE A 98 -7.985 2.230 3.682 1.00 0.53 O ATOM 1505 CB ILE A 98 -6.817 1.991 0.903 1.00 0.47 C ATOM 1506 CG1 ILE A 98 -6.754 2.123 -0.629 1.00 0.48 C ATOM 1507 CG2 ILE A 98 -5.999 0.755 1.359 1.00 0.51 C ATOM 1508 CD1 ILE A 98 -5.375 2.488 -1.181 1.00 0.58 C ATOM 0 H ILE A 98 -8.352 4.018 1.048 1.00 0.38 H new ATOM 0 HA ILE A 98 -8.764 1.191 0.675 1.00 0.43 H new ATOM 0 HB ILE A 98 -6.364 2.851 1.396 1.00 0.47 H new ATOM 0 HG12 ILE A 98 -7.071 1.180 -1.075 1.00 0.48 H new ATOM 0 HG13 ILE A 98 -7.470 2.882 -0.945 1.00 0.48 H new ATOM 0 HG21 ILE A 98 -4.966 0.861 1.029 1.00 0.51 H new ATOM 0 HG22 ILE A 98 -6.027 0.681 2.446 1.00 0.51 H new ATOM 0 HG23 ILE A 98 -6.429 -0.147 0.923 1.00 0.51 H new ATOM 0 HD11 ILE A 98 -5.425 2.559 -2.268 1.00 0.58 H new ATOM 0 HD12 ILE A 98 -5.060 3.447 -0.769 1.00 0.58 H new ATOM 0 HD13 ILE A 98 -4.656 1.719 -0.901 1.00 0.58 H new ATOM 1520 N GLY A 99 -9.150 0.402 3.011 1.00 0.46 N ATOM 1521 CA GLY A 99 -9.128 -0.324 4.283 1.00 0.52 C ATOM 1522 C GLY A 99 -8.313 -1.621 4.190 1.00 0.49 C ATOM 1523 O GLY A 99 -8.247 -2.247 3.136 1.00 0.46 O ATOM 0 H GLY A 99 -9.740 -0.037 2.304 1.00 0.46 H new ATOM 0 HA2 GLY A 99 -8.705 0.315 5.058 1.00 0.52 H new ATOM 0 HA3 GLY A 99 -10.149 -0.558 4.585 1.00 0.52 H new ATOM 1527 N VAL A 100 -7.737 -2.071 5.311 1.00 0.53 N ATOM 1528 CA VAL A 100 -6.959 -3.322 5.418 1.00 0.44 C ATOM 1529 C VAL A 100 -7.598 -4.526 4.721 1.00 0.45 C ATOM 1530 O VAL A 100 -6.953 -5.167 3.896 1.00 0.48 O ATOM 1531 CB VAL A 100 -6.636 -3.661 6.889 1.00 0.47 C ATOM 1532 CG1 VAL A 100 -7.824 -3.628 7.867 1.00 0.68 C ATOM 1533 CG2 VAL A 100 -5.946 -5.025 7.004 1.00 0.59 C ATOM 0 H VAL A 100 -7.798 -1.566 6.195 1.00 0.53 H new ATOM 0 HA VAL A 100 -6.032 -3.121 4.881 1.00 0.44 H new ATOM 0 HB VAL A 100 -5.973 -2.851 7.192 1.00 0.47 H new ATOM 0 HG11 VAL A 100 -7.478 -3.882 8.869 1.00 0.68 H new ATOM 0 HG12 VAL A 100 -8.260 -2.629 7.876 1.00 0.68 H new ATOM 0 HG13 VAL A 100 -8.577 -4.349 7.549 1.00 0.68 H new ATOM 0 HG21 VAL A 100 -5.731 -5.237 8.051 1.00 0.59 H new ATOM 0 HG22 VAL A 100 -6.601 -5.799 6.605 1.00 0.59 H new ATOM 0 HG23 VAL A 100 -5.015 -5.010 6.438 1.00 0.59 H new ATOM 1543 N ASP A 101 -8.829 -4.871 5.104 1.00 0.53 N ATOM 1544 CA ASP A 101 -9.475 -6.142 4.755 1.00 0.62 C ATOM 1545 C ASP A 101 -9.723 -6.259 3.239 1.00 0.54 C ATOM 1546 O ASP A 101 -9.624 -7.332 2.637 1.00 0.66 O ATOM 1547 CB ASP A 101 -10.773 -6.231 5.580 1.00 0.77 C ATOM 1548 CG ASP A 101 -11.152 -7.664 5.958 1.00 1.12 C ATOM 1549 OD1 ASP A 101 -10.230 -8.409 6.361 1.00 2.30 O ATOM 1550 OD2 ASP A 101 -12.361 -7.971 5.902 1.00 2.10 O ATOM 0 H ASP A 101 -9.417 -4.265 5.676 1.00 0.53 H new ATOM 0 HA ASP A 101 -8.827 -6.984 4.997 1.00 0.62 H new ATOM 0 HB2 ASP A 101 -10.659 -5.641 6.489 1.00 0.77 H new ATOM 0 HB3 ASP A 101 -11.589 -5.785 5.011 1.00 0.77 H new ATOM 1555 N GLU A 102 -9.935 -5.100 2.610 1.00 0.45 N ATOM 1556 CA GLU A 102 -9.898 -4.897 1.170 1.00 0.44 C ATOM 1557 C GLU A 102 -8.476 -5.098 0.656 1.00 0.45 C ATOM 1558 O GLU A 102 -8.235 -5.999 -0.137 1.00 0.55 O ATOM 1559 CB GLU A 102 -10.313 -3.463 0.832 1.00 0.56 C ATOM 1560 CG GLU A 102 -11.688 -3.032 1.340 1.00 0.72 C ATOM 1561 CD GLU A 102 -11.747 -1.522 1.590 1.00 0.97 C ATOM 1562 OE1 GLU A 102 -10.867 -0.756 1.146 1.00 2.48 O ATOM 1563 OE2 GLU A 102 -12.726 -1.061 2.222 1.00 0.99 O ATOM 0 H GLU A 102 -10.146 -4.242 3.119 1.00 0.45 H new ATOM 0 HA GLU A 102 -10.579 -5.611 0.707 1.00 0.44 H new ATOM 0 HB2 GLU A 102 -9.566 -2.783 1.241 1.00 0.56 H new ATOM 0 HB3 GLU A 102 -10.293 -3.345 -0.251 1.00 0.56 H new ATOM 0 HG2 GLU A 102 -12.450 -3.311 0.612 1.00 0.72 H new ATOM 0 HG3 GLU A 102 -11.919 -3.564 2.263 1.00 0.72 H new ATOM 1570 N PHE A 103 -7.536 -4.254 1.102 1.00 0.45 N ATOM 1571 CA PHE A 103 -6.170 -4.157 0.591 1.00 0.53 C ATOM 1572 C PHE A 103 -5.425 -5.496 0.648 1.00 0.57 C ATOM 1573 O PHE A 103 -4.630 -5.782 -0.238 1.00 0.66 O ATOM 1574 CB PHE A 103 -5.447 -3.046 1.372 1.00 0.67 C ATOM 1575 CG PHE A 103 -4.394 -2.250 0.626 1.00 0.53 C ATOM 1576 CD1 PHE A 103 -4.653 -1.740 -0.662 1.00 1.95 C ATOM 1577 CD2 PHE A 103 -3.210 -1.876 1.286 1.00 1.60 C ATOM 1578 CE1 PHE A 103 -3.721 -0.906 -1.301 1.00 2.46 C ATOM 1579 CE2 PHE A 103 -2.283 -1.032 0.651 1.00 1.94 C ATOM 1580 CZ PHE A 103 -2.528 -0.554 -0.648 1.00 1.93 C ATOM 0 H PHE A 103 -7.718 -3.595 1.859 1.00 0.45 H new ATOM 0 HA PHE A 103 -6.195 -3.900 -0.468 1.00 0.53 H new ATOM 0 HB2 PHE A 103 -6.199 -2.349 1.742 1.00 0.67 H new ATOM 0 HB3 PHE A 103 -4.974 -3.498 2.244 1.00 0.67 H new ATOM 0 HD1 PHE A 103 -5.576 -1.993 -1.162 1.00 1.95 H new ATOM 0 HD2 PHE A 103 -3.012 -2.238 2.284 1.00 1.60 H new ATOM 0 HE1 PHE A 103 -3.922 -0.535 -2.295 1.00 2.46 H new ATOM 0 HE2 PHE A 103 -1.376 -0.749 1.165 1.00 1.94 H new ATOM 0 HZ PHE A 103 -1.805 0.079 -1.140 1.00 1.93 H new ATOM 1590 N SER A 104 -5.761 -6.338 1.633 1.00 0.53 N ATOM 1591 CA SER A 104 -5.385 -7.746 1.798 1.00 0.63 C ATOM 1592 C SER A 104 -5.693 -8.631 0.583 1.00 0.59 C ATOM 1593 O SER A 104 -4.882 -9.476 0.199 1.00 0.90 O ATOM 1594 CB SER A 104 -6.177 -8.281 3.001 1.00 0.72 C ATOM 1595 OG SER A 104 -5.756 -9.580 3.354 1.00 1.10 O ATOM 0 H SER A 104 -6.354 -6.023 2.401 1.00 0.53 H new ATOM 0 HA SER A 104 -4.304 -7.785 1.933 1.00 0.63 H new ATOM 0 HB2 SER A 104 -6.048 -7.611 3.851 1.00 0.72 H new ATOM 0 HB3 SER A 104 -7.241 -8.293 2.763 1.00 0.72 H new ATOM 0 HG SER A 104 -6.276 -9.895 4.123 1.00 1.10 H new ATOM 1601 N THR A 105 -6.876 -8.457 -0.014 1.00 0.41 N ATOM 1602 CA THR A 105 -7.478 -9.371 -0.991 1.00 0.44 C ATOM 1603 C THR A 105 -7.633 -8.737 -2.373 1.00 0.44 C ATOM 1604 O THR A 105 -7.545 -9.431 -3.386 1.00 0.48 O ATOM 1605 CB THR A 105 -8.833 -9.863 -0.468 1.00 0.46 C ATOM 1606 OG1 THR A 105 -9.701 -8.789 -0.162 1.00 0.44 O ATOM 1607 CG2 THR A 105 -8.657 -10.718 0.787 1.00 0.46 C ATOM 0 H THR A 105 -7.463 -7.645 0.177 1.00 0.41 H new ATOM 0 HA THR A 105 -6.801 -10.216 -1.112 1.00 0.44 H new ATOM 0 HB THR A 105 -9.274 -10.460 -1.266 1.00 0.46 H new ATOM 0 HG1 THR A 105 -9.535 -8.485 0.755 1.00 0.44 H new ATOM 0 HG21 THR A 105 -9.633 -11.054 1.138 1.00 0.46 H new ATOM 0 HG22 THR A 105 -8.037 -11.584 0.554 1.00 0.46 H new ATOM 0 HG23 THR A 105 -8.176 -10.126 1.566 1.00 0.46 H new ATOM 1615 N LEU A 106 -7.710 -7.407 -2.430 1.00 0.44 N ATOM 1616 CA LEU A 106 -7.589 -6.567 -3.618 1.00 0.47 C ATOM 1617 C LEU A 106 -6.361 -6.935 -4.461 1.00 0.52 C ATOM 1618 O LEU A 106 -6.405 -7.004 -5.683 1.00 0.60 O ATOM 1619 CB LEU A 106 -7.505 -5.112 -3.144 1.00 0.60 C ATOM 1620 CG LEU A 106 -7.347 -4.092 -4.280 1.00 0.70 C ATOM 1621 CD1 LEU A 106 -8.387 -4.264 -5.393 1.00 1.97 C ATOM 1622 CD2 LEU A 106 -7.468 -2.696 -3.696 1.00 2.25 C ATOM 0 H LEU A 106 -7.869 -6.852 -1.589 1.00 0.44 H new ATOM 0 HA LEU A 106 -8.456 -6.718 -4.262 1.00 0.47 H new ATOM 0 HB2 LEU A 106 -8.405 -4.873 -2.578 1.00 0.60 H new ATOM 0 HB3 LEU A 106 -6.662 -5.012 -2.460 1.00 0.60 H new ATOM 0 HG LEU A 106 -6.369 -4.254 -4.733 1.00 0.70 H new ATOM 0 HD11 LEU A 106 -8.221 -3.513 -6.165 1.00 1.97 H new ATOM 0 HD12 LEU A 106 -8.293 -5.259 -5.828 1.00 1.97 H new ATOM 0 HD13 LEU A 106 -9.388 -4.143 -4.978 1.00 1.97 H new ATOM 0 HD21 LEU A 106 -7.358 -1.958 -4.491 1.00 2.25 H new ATOM 0 HD22 LEU A 106 -8.445 -2.581 -3.227 1.00 2.25 H new ATOM 0 HD23 LEU A 106 -6.688 -2.545 -2.950 1.00 2.25 H new ATOM 1634 N VAL A 107 -5.249 -7.211 -3.791 1.00 0.61 N ATOM 1635 CA VAL A 107 -3.983 -7.600 -4.416 1.00 0.72 C ATOM 1636 C VAL A 107 -3.934 -9.059 -4.896 1.00 0.72 C ATOM 1637 O VAL A 107 -3.011 -9.458 -5.606 1.00 0.86 O ATOM 1638 CB VAL A 107 -2.871 -7.356 -3.404 1.00 0.74 C ATOM 1639 CG1 VAL A 107 -2.731 -5.854 -3.087 1.00 0.87 C ATOM 1640 CG2 VAL A 107 -3.067 -8.175 -2.118 1.00 0.71 C ATOM 0 H VAL A 107 -5.197 -7.171 -2.773 1.00 0.61 H new ATOM 0 HA VAL A 107 -3.865 -6.995 -5.315 1.00 0.72 H new ATOM 0 HB VAL A 107 -1.942 -7.697 -3.862 1.00 0.74 H new ATOM 0 HG11 VAL A 107 -1.930 -5.708 -2.362 1.00 0.87 H new ATOM 0 HG12 VAL A 107 -2.496 -5.309 -4.002 1.00 0.87 H new ATOM 0 HG13 VAL A 107 -3.668 -5.481 -2.673 1.00 0.87 H new ATOM 0 HG21 VAL A 107 -2.250 -7.968 -1.427 1.00 0.71 H new ATOM 0 HG22 VAL A 107 -4.014 -7.901 -1.653 1.00 0.71 H new ATOM 0 HG23 VAL A 107 -3.076 -9.237 -2.361 1.00 0.71 H new ATOM 1650 N ALA A 108 -4.928 -9.851 -4.494 1.00 0.60 N ATOM 1651 CA ALA A 108 -5.125 -11.250 -4.853 1.00 0.68 C ATOM 1652 C ALA A 108 -6.126 -11.380 -6.009 1.00 0.71 C ATOM 1653 O ALA A 108 -5.875 -12.165 -6.920 1.00 0.87 O ATOM 1654 CB ALA A 108 -5.565 -12.040 -3.611 1.00 0.68 C ATOM 0 H ALA A 108 -5.660 -9.509 -3.871 1.00 0.60 H new ATOM 0 HA ALA A 108 -4.184 -11.672 -5.206 1.00 0.68 H new ATOM 0 HB1 ALA A 108 -5.713 -13.086 -3.879 1.00 0.68 H new ATOM 0 HB2 ALA A 108 -4.796 -11.967 -2.842 1.00 0.68 H new ATOM 0 HB3 ALA A 108 -6.499 -11.628 -3.230 1.00 0.68 H new