USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 844 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 Single : A 1 MET N :NH3+ -170:sc= 0.878 (180deg=0.369) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0561 (180deg=-0.339) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.15 F(o=-1,f=-0.15) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.95 F(o=-4.2!,f=-2) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.27 X(o=-0.27,f=0.052) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.206 F(o=-3.2!,f=-0.21) USER MOD Single : A 40 TYR OH : rot -130:sc= -1.28 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0.491 (180deg=0.412) USER MOD Single : A 55 MET CE :methyl -142:sc= -0.373 (180deg=-2.23) USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= -0.0392 (180deg=-0.364) USER MOD Single : A 61 SER OG : rot 140:sc= 1.23 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 136:sc= -0.57 (180deg=-3.1!) USER MOD Single : A 70 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.25!) USER MOD Single : A 71 GLN : amide:sc= -0.77 K(o=-0.77,f=-5.2!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.61 K(o=-2.6,f=-8.8!) USER MOD Single : A 80 THR OG1 : rot -16:sc= 0.803 USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.0563 (180deg=-0.366) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.036) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0375 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 90 GLN : amide:sc= -0.435 K(o=-0.44,f=-2.4!) USER MOD Single : A 95 SER OG : rot -20:sc= 0.202 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -4.35! (180deg=-4.77!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-5.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= -0.0707 (180deg=-0.425) USER MOD Single : A 108 SER OG : rot -162:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.090 -1.649 -0.080 1.00 7.33 N ATOM 2 CA MET A 1 22.043 -1.534 1.054 1.00 7.27 C ATOM 3 C MET A 1 21.976 -0.146 1.680 1.00 6.81 C ATOM 4 O MET A 1 22.699 0.152 2.632 1.00 7.12 O ATOM 5 SD MET A 1 23.245 -0.658 -1.928 1.00 9.34 S ATOM 6 CE MET A 1 23.622 -2.275 -2.597 1.00 9.99 C ATOM 0 H1 MET A 1 21.028 -2.642 -0.382 1.00 7.33 H new ATOM 0 H2 MET A 1 20.151 -1.319 0.221 1.00 7.33 H new ATOM 0 H3 MET A 1 21.424 -1.066 -0.874 1.00 7.33 H new ATOM 14 N ALA A 2 21.104 0.700 1.139 1.00 6.40 N ATOM 15 CA ALA A 2 20.942 2.058 1.642 1.00 6.31 C ATOM 16 C ALA A 2 19.650 2.200 2.438 1.00 5.60 C ATOM 17 O ALA A 2 19.562 3.010 3.361 1.00 5.72 O ATOM 18 CB ALA A 2 20.965 3.050 0.489 1.00 6.96 C ATOM 0 H ALA A 2 20.499 0.468 0.352 1.00 6.40 H new ATOM 0 HA ALA A 2 21.774 2.273 2.312 1.00 6.31 H new ATOM 0 HB1 ALA A 2 20.843 4.061 0.877 1.00 6.96 H new ATOM 0 HB2 ALA A 2 21.917 2.975 -0.036 1.00 6.96 H new ATOM 0 HB3 ALA A 2 20.151 2.825 -0.201 1.00 6.96 H new ATOM 24 N ALA A 3 18.646 1.408 2.073 1.00 5.19 N ATOM 25 CA ALA A 3 17.357 1.445 2.753 1.00 4.77 C ATOM 26 C ALA A 3 17.184 0.239 3.669 1.00 4.00 C ATOM 27 O ALA A 3 16.970 0.387 4.874 1.00 4.10 O ATOM 28 CB ALA A 3 16.228 1.502 1.734 1.00 5.44 C ATOM 0 H ALA A 3 18.701 0.733 1.310 1.00 5.19 H new ATOM 0 HA ALA A 3 17.324 2.343 3.370 1.00 4.77 H new ATOM 0 HB1 ALA A 3 15.270 1.529 2.253 1.00 5.44 H new ATOM 0 HB2 ALA A 3 16.335 2.398 1.122 1.00 5.44 H new ATOM 0 HB3 ALA A 3 16.269 0.620 1.095 1.00 5.44 H new ATOM 34 N GLY A 4 17.283 -0.955 3.092 1.00 3.77 N ATOM 35 CA GLY A 4 17.134 -2.172 3.869 1.00 3.60 C ATOM 36 C GLY A 4 15.712 -2.377 4.352 1.00 3.08 C ATOM 37 O GLY A 4 14.853 -2.834 3.597 1.00 3.63 O ATOM 0 H GLY A 4 17.464 -1.101 2.099 1.00 3.77 H new ATOM 0 HA2 GLY A 4 17.436 -3.026 3.263 1.00 3.60 H new ATOM 0 HA3 GLY A 4 17.805 -2.137 4.727 1.00 3.60 H new ATOM 41 N GLU A 5 15.464 -2.042 5.614 1.00 2.62 N ATOM 42 CA GLU A 5 14.135 -2.184 6.196 1.00 2.68 C ATOM 43 C GLU A 5 13.405 -0.844 6.199 1.00 2.07 C ATOM 44 O GLU A 5 13.997 0.193 6.497 1.00 2.47 O ATOM 45 CB GLU A 5 14.238 -2.729 7.623 1.00 3.54 C ATOM 46 CG GLU A 5 12.892 -2.938 8.297 1.00 4.10 C ATOM 47 CD GLU A 5 13.026 -3.422 9.728 1.00 4.75 C ATOM 48 OE1 GLU A 5 13.168 -4.646 9.931 1.00 5.15 O ATOM 49 OE2 GLU A 5 12.990 -2.575 10.646 1.00 5.19 O ATOM 0 H GLU A 5 16.167 -1.670 6.253 1.00 2.62 H new ATOM 0 HA GLU A 5 13.566 -2.888 5.588 1.00 2.68 H new ATOM 0 HB2 GLU A 5 14.775 -3.677 7.602 1.00 3.54 H new ATOM 0 HB3 GLU A 5 14.832 -2.040 8.223 1.00 3.54 H new ATOM 0 HG2 GLU A 5 12.334 -2.002 8.285 1.00 4.10 H new ATOM 0 HG3 GLU A 5 12.312 -3.662 7.725 1.00 4.10 H new ATOM 56 N LEU A 6 12.118 -0.870 5.865 1.00 1.67 N ATOM 57 CA LEU A 6 11.317 0.347 5.826 1.00 1.32 C ATOM 58 C LEU A 6 10.545 0.533 7.123 1.00 1.32 C ATOM 59 O LEU A 6 9.372 0.176 7.216 1.00 2.13 O ATOM 60 CB LEU A 6 10.342 0.321 4.651 1.00 1.13 C ATOM 61 CG LEU A 6 10.984 0.218 3.267 1.00 1.02 C ATOM 62 CD1 LEU A 6 9.913 0.112 2.191 1.00 1.73 C ATOM 63 CD2 LEU A 6 11.887 1.414 3.002 1.00 1.32 C ATOM 0 H LEU A 6 11.609 -1.719 5.618 1.00 1.67 H new ATOM 0 HA LEU A 6 12.002 1.185 5.699 1.00 1.32 H new ATOM 0 HB2 LEU A 6 9.664 -0.523 4.782 1.00 1.13 H new ATOM 0 HB3 LEU A 6 9.735 1.226 4.685 1.00 1.13 H new ATOM 0 HG LEU A 6 11.595 -0.684 3.239 1.00 1.02 H new ATOM 0 HD11 LEU A 6 10.387 0.039 1.212 1.00 1.73 H new ATOM 0 HD12 LEU A 6 9.307 -0.776 2.367 1.00 1.73 H new ATOM 0 HD13 LEU A 6 9.277 0.997 2.222 1.00 1.73 H new ATOM 0 HD21 LEU A 6 12.334 1.321 2.012 1.00 1.32 H new ATOM 0 HD22 LEU A 6 11.300 2.331 3.050 1.00 1.32 H new ATOM 0 HD23 LEU A 6 12.675 1.448 3.754 1.00 1.32 H new ATOM 75 N GLU A 7 11.222 1.096 8.112 1.00 1.23 N ATOM 76 CA GLU A 7 10.626 1.347 9.425 1.00 1.34 C ATOM 77 C GLU A 7 10.043 0.065 10.024 1.00 1.46 C ATOM 78 O GLU A 7 10.691 -0.601 10.831 1.00 2.09 O ATOM 79 CB GLU A 7 9.544 2.427 9.327 1.00 1.49 C ATOM 80 CG GLU A 7 10.076 3.807 8.977 1.00 1.34 C ATOM 81 CD GLU A 7 10.970 4.380 10.059 1.00 1.95 C ATOM 82 OE1 GLU A 7 10.439 4.780 11.117 1.00 2.22 O ATOM 83 OE2 GLU A 7 12.201 4.425 9.851 1.00 2.64 O ATOM 0 H GLU A 7 12.195 1.392 8.033 1.00 1.23 H new ATOM 0 HA GLU A 7 11.416 1.701 10.087 1.00 1.34 H new ATOM 0 HB2 GLU A 7 8.815 2.129 8.574 1.00 1.49 H new ATOM 0 HB3 GLU A 7 9.015 2.484 10.278 1.00 1.49 H new ATOM 0 HG2 GLU A 7 10.634 3.751 8.042 1.00 1.34 H new ATOM 0 HG3 GLU A 7 9.238 4.483 8.808 1.00 1.34 H new ATOM 90 N GLY A 8 8.819 -0.275 9.625 1.00 1.36 N ATOM 91 CA GLY A 8 8.171 -1.471 10.130 1.00 1.61 C ATOM 92 C GLY A 8 6.803 -1.681 9.512 1.00 1.17 C ATOM 93 O GLY A 8 6.641 -1.562 8.296 1.00 1.38 O ATOM 0 H GLY A 8 8.264 0.261 8.958 1.00 1.36 H new ATOM 0 HA2 GLY A 8 8.799 -2.338 9.924 1.00 1.61 H new ATOM 0 HA3 GLY A 8 8.072 -1.400 11.213 1.00 1.61 H new ATOM 97 N GLY A 9 5.818 -1.997 10.346 1.00 1.01 N ATOM 98 CA GLY A 9 4.469 -2.210 9.854 1.00 1.09 C ATOM 99 C GLY A 9 3.696 -0.913 9.712 1.00 1.08 C ATOM 100 O GLY A 9 2.714 -0.846 8.974 1.00 1.26 O ATOM 0 H GLY A 9 5.929 -2.109 11.354 1.00 1.01 H new ATOM 0 HA2 GLY A 9 4.512 -2.712 8.887 1.00 1.09 H new ATOM 0 HA3 GLY A 9 3.937 -2.875 10.535 1.00 1.09 H new ATOM 104 N LYS A 10 4.147 0.118 10.420 1.00 1.12 N ATOM 105 CA LYS A 10 3.496 1.426 10.387 1.00 1.33 C ATOM 106 C LYS A 10 3.406 1.992 8.963 1.00 1.14 C ATOM 107 O LYS A 10 2.329 2.405 8.533 1.00 1.22 O ATOM 108 CB LYS A 10 4.239 2.412 11.296 1.00 1.68 C ATOM 109 CG LYS A 10 3.695 3.830 11.232 1.00 2.23 C ATOM 110 CD LYS A 10 4.417 4.748 12.206 1.00 3.07 C ATOM 111 CE LYS A 10 3.979 6.194 12.041 1.00 3.89 C ATOM 112 NZ LYS A 10 4.309 6.724 10.690 1.00 4.57 N ATOM 0 H LYS A 10 4.965 0.073 11.027 1.00 1.12 H new ATOM 0 HA LYS A 10 2.478 1.290 10.752 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.183 2.057 12.325 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.293 2.424 11.020 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.802 4.217 10.218 1.00 2.23 H new ATOM 0 HG3 LYS A 10 2.629 3.823 11.459 1.00 2.23 H new ATOM 0 HD2 LYS A 10 4.221 4.422 13.228 1.00 3.07 H new ATOM 0 HD3 LYS A 10 5.493 4.673 12.048 1.00 3.07 H new ATOM 0 HE2 LYS A 10 2.904 6.269 12.208 1.00 3.89 H new ATOM 0 HE3 LYS A 10 4.463 6.809 12.800 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 4.266 7.763 10.705 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 5.267 6.421 10.423 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 3.625 6.359 9.997 1.00 4.57 H new ATOM 126 N PRO A 11 4.526 2.023 8.205 1.00 1.03 N ATOM 127 CA PRO A 11 4.529 2.564 6.841 1.00 1.05 C ATOM 128 C PRO A 11 3.823 1.653 5.843 1.00 0.77 C ATOM 129 O PRO A 11 2.908 2.083 5.140 1.00 0.72 O ATOM 130 CB PRO A 11 6.018 2.665 6.508 1.00 1.20 C ATOM 131 CG PRO A 11 6.648 1.593 7.319 1.00 1.49 C ATOM 132 CD PRO A 11 5.864 1.534 8.601 1.00 1.15 C ATOM 0 HA PRO A 11 3.994 3.512 6.781 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.199 2.517 5.443 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.418 3.646 6.766 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.615 0.637 6.796 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.698 1.815 7.512 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.820 0.520 8.999 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.309 2.161 9.374 1.00 1.15 H new ATOM 140 N LEU A 12 4.253 0.395 5.783 1.00 0.70 N ATOM 141 CA LEU A 12 3.669 -0.574 4.861 1.00 0.57 C ATOM 142 C LEU A 12 2.151 -0.631 5.009 1.00 0.48 C ATOM 143 O LEU A 12 1.440 -0.988 4.069 1.00 0.53 O ATOM 144 CB LEU A 12 4.275 -1.958 5.094 1.00 0.61 C ATOM 145 CG LEU A 12 4.106 -2.942 3.935 1.00 0.58 C ATOM 146 CD1 LEU A 12 4.869 -2.459 2.711 1.00 1.01 C ATOM 147 CD2 LEU A 12 4.572 -4.329 4.344 1.00 0.91 C ATOM 0 H LEU A 12 5.005 0.023 6.363 1.00 0.70 H new ATOM 0 HA LEU A 12 3.897 -0.253 3.845 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.339 -1.842 5.300 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.823 -2.390 5.987 1.00 0.61 H new ATOM 0 HG LEU A 12 3.048 -2.997 3.679 1.00 0.58 H new ATOM 0 HD11 LEU A 12 4.738 -3.171 1.896 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.488 -1.484 2.406 1.00 1.01 H new ATOM 0 HD13 LEU A 12 5.929 -2.375 2.952 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.445 -5.017 3.508 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.624 -4.291 4.626 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.982 -4.676 5.192 1.00 0.91 H new ATOM 159 N SER A 13 1.659 -0.282 6.193 1.00 0.52 N ATOM 160 CA SER A 13 0.224 -0.282 6.451 1.00 0.61 C ATOM 161 C SER A 13 -0.436 0.918 5.781 1.00 0.58 C ATOM 162 O SER A 13 -1.562 0.831 5.292 1.00 0.69 O ATOM 163 CB SER A 13 -0.046 -0.260 7.956 1.00 0.78 C ATOM 164 OG SER A 13 -1.437 -0.278 8.225 1.00 1.39 O ATOM 0 H SER A 13 2.231 0.004 6.987 1.00 0.52 H new ATOM 0 HA SER A 13 -0.202 -1.194 6.033 1.00 0.61 H new ATOM 0 HB2 SER A 13 0.430 -1.120 8.427 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.401 0.631 8.396 1.00 0.78 H new ATOM 0 HG SER A 13 -1.583 -0.265 9.194 1.00 1.39 H new ATOM 170 N GLY A 14 0.282 2.037 5.764 1.00 0.56 N ATOM 171 CA GLY A 14 -0.230 3.245 5.146 1.00 0.59 C ATOM 172 C GLY A 14 0.418 3.518 3.803 1.00 0.55 C ATOM 173 O GLY A 14 0.350 4.631 3.287 1.00 0.58 O ATOM 0 H GLY A 14 1.214 2.128 6.170 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.309 3.156 5.016 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.058 4.092 5.810 1.00 0.59 H new ATOM 177 N LEU A 15 1.054 2.493 3.243 1.00 0.52 N ATOM 178 CA LEU A 15 1.729 2.607 1.953 1.00 0.52 C ATOM 179 C LEU A 15 0.726 2.849 0.833 1.00 0.46 C ATOM 180 O LEU A 15 0.781 3.871 0.152 1.00 0.47 O ATOM 181 CB LEU A 15 2.524 1.332 1.676 1.00 0.57 C ATOM 182 CG LEU A 15 4.033 1.519 1.471 1.00 0.69 C ATOM 183 CD1 LEU A 15 4.307 2.302 0.197 1.00 0.97 C ATOM 184 CD2 LEU A 15 4.663 2.213 2.670 1.00 1.10 C ATOM 0 H LEU A 15 1.116 1.567 3.666 1.00 0.52 H new ATOM 0 HA LEU A 15 2.408 3.459 1.991 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.372 0.643 2.507 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.112 0.855 0.787 1.00 0.57 H new ATOM 0 HG LEU A 15 4.485 0.532 1.374 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.383 2.424 0.069 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.899 1.761 -0.657 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.836 3.283 0.264 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.733 2.334 2.500 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.204 3.192 2.806 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.504 1.611 3.564 1.00 1.10 H new ATOM 196 N LEU A 16 -0.191 1.902 0.647 1.00 0.45 N ATOM 197 CA LEU A 16 -1.211 2.018 -0.392 1.00 0.42 C ATOM 198 C LEU A 16 -1.958 3.340 -0.245 1.00 0.40 C ATOM 199 O LEU A 16 -2.583 3.827 -1.187 1.00 0.41 O ATOM 200 CB LEU A 16 -2.207 0.849 -0.321 1.00 0.47 C ATOM 201 CG LEU A 16 -1.606 -0.557 -0.149 1.00 0.53 C ATOM 202 CD1 LEU A 16 -0.303 -0.705 -0.925 1.00 0.86 C ATOM 203 CD2 LEU A 16 -1.393 -0.873 1.326 1.00 0.92 C ATOM 0 H LEU A 16 -0.248 1.048 1.201 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.713 1.988 -1.361 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.889 1.032 0.509 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.805 0.855 -1.232 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.318 -1.274 -0.558 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.094 -1.710 -0.781 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.490 -0.537 -1.986 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.420 0.026 -0.564 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.967 -1.871 1.426 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.710 -0.142 1.760 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.349 -0.832 1.849 1.00 0.92 H new ATOM 215 N ASN A 17 -1.880 3.906 0.954 1.00 0.40 N ATOM 216 CA ASN A 17 -2.537 5.168 1.267 1.00 0.42 C ATOM 217 C ASN A 17 -1.697 6.362 0.809 1.00 0.38 C ATOM 218 O ASN A 17 -2.190 7.249 0.113 1.00 0.42 O ATOM 219 CB ASN A 17 -2.781 5.247 2.774 1.00 0.47 C ATOM 220 CG ASN A 17 -3.200 6.632 3.232 1.00 1.38 C ATOM 221 OD1 ASN A 17 -3.940 7.339 2.386 1.00 1.93 O flip ATOM 222 ND2 ASN A 17 -2.867 7.058 4.338 1.00 2.33 N flip ATOM 0 H ASN A 17 -1.361 3.504 1.734 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.487 5.207 0.734 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.553 4.529 3.050 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -1.872 4.955 3.300 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -2.298 6.481 4.957 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -3.161 7.988 4.636 1.00 2.33 H new ATOM 229 N ALA A 18 -0.430 6.375 1.208 1.00 0.37 N ATOM 230 CA ALA A 18 0.482 7.459 0.854 1.00 0.37 C ATOM 231 C ALA A 18 0.708 7.535 -0.653 1.00 0.38 C ATOM 232 O ALA A 18 0.757 8.621 -1.230 1.00 0.44 O ATOM 233 CB ALA A 18 1.809 7.272 1.573 1.00 0.42 C ATOM 0 H ALA A 18 -0.008 5.643 1.780 1.00 0.37 H new ATOM 0 HA ALA A 18 0.026 8.398 1.168 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.485 8.084 1.305 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.643 7.278 2.650 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.251 6.320 1.280 1.00 0.42 H new ATOM 239 N LEU A 19 0.840 6.372 -1.281 1.00 0.42 N ATOM 240 CA LEU A 19 1.077 6.286 -2.720 1.00 0.48 C ATOM 241 C LEU A 19 -0.025 6.978 -3.520 1.00 0.52 C ATOM 242 O LEU A 19 0.139 7.240 -4.711 1.00 0.69 O ATOM 243 CB LEU A 19 1.180 4.820 -3.143 1.00 0.51 C ATOM 244 CG LEU A 19 2.294 4.027 -2.461 1.00 0.61 C ATOM 245 CD1 LEU A 19 2.046 2.534 -2.603 1.00 0.77 C ATOM 246 CD2 LEU A 19 3.648 4.405 -3.043 1.00 0.94 C ATOM 0 H LEU A 19 0.787 5.468 -0.812 1.00 0.42 H new ATOM 0 HA LEU A 19 2.015 6.799 -2.932 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.228 4.331 -2.937 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.333 4.779 -4.221 1.00 0.51 H new ATOM 0 HG LEU A 19 2.297 4.274 -1.399 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.848 1.984 -2.112 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.093 2.278 -2.139 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.018 2.269 -3.660 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.430 3.831 -2.546 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.659 4.186 -4.111 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.826 5.469 -2.890 1.00 0.94 H new ATOM 258 N ALA A 20 -1.145 7.268 -2.865 1.00 0.54 N ATOM 259 CA ALA A 20 -2.266 7.927 -3.527 1.00 0.64 C ATOM 260 C ALA A 20 -1.868 9.305 -4.046 1.00 0.78 C ATOM 261 O ALA A 20 -1.893 10.289 -3.306 1.00 1.59 O ATOM 262 CB ALA A 20 -3.449 8.039 -2.577 1.00 0.76 C ATOM 0 H ALA A 20 -1.300 7.058 -1.879 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.558 7.318 -4.383 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.278 8.533 -3.085 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.758 7.042 -2.262 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.160 8.622 -1.703 1.00 0.76 H new ATOM 268 N GLN A 21 -1.494 9.368 -5.322 1.00 0.71 N ATOM 269 CA GLN A 21 -1.091 10.625 -5.944 1.00 0.81 C ATOM 270 C GLN A 21 -2.243 11.233 -6.741 1.00 1.05 C ATOM 271 O GLN A 21 -2.552 10.783 -7.845 1.00 1.54 O ATOM 272 CB GLN A 21 0.118 10.403 -6.857 1.00 1.12 C ATOM 273 CG GLN A 21 1.367 9.961 -6.111 1.00 1.08 C ATOM 274 CD GLN A 21 2.521 9.641 -7.041 1.00 1.24 C ATOM 275 OE1 GLN A 21 3.742 9.850 -6.559 1.00 1.87 O flip ATOM 276 NE2 GLN A 21 2.320 9.212 -8.177 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.462 8.561 -5.945 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.815 11.321 -5.152 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.134 9.651 -7.605 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.333 11.327 -7.394 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.670 10.748 -5.420 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.135 9.081 -5.511 1.00 1.08 H new ATOM 0 HE21 GLN A 21 1.365 9.067 -8.506 1.00 1.21 H new ATOM 0 HE22 GLN A 21 3.108 9.002 -8.790 1.00 1.21 H new ATOM 285 N ASP A 22 -2.871 12.257 -6.168 1.00 1.63 N ATOM 286 CA ASP A 22 -3.992 12.937 -6.813 1.00 2.08 C ATOM 287 C ASP A 22 -5.093 11.949 -7.188 1.00 1.93 C ATOM 288 O ASP A 22 -5.108 11.408 -8.293 1.00 2.22 O ATOM 289 CB ASP A 22 -3.517 13.689 -8.058 1.00 2.77 C ATOM 290 CG ASP A 22 -4.652 14.389 -8.778 1.00 3.37 C ATOM 291 OD1 ASP A 22 -4.956 15.548 -8.423 1.00 4.03 O ATOM 292 OD2 ASP A 22 -5.238 13.780 -9.698 1.00 3.59 O ATOM 0 H ASP A 22 -2.621 12.636 -5.254 1.00 1.63 H new ATOM 0 HA ASP A 22 -4.402 13.653 -6.101 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -2.765 14.424 -7.771 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -3.035 12.989 -8.740 1.00 2.77 H new ATOM 297 N THR A 23 -6.011 11.716 -6.256 1.00 1.87 N ATOM 298 CA THR A 23 -7.116 10.793 -6.484 1.00 2.12 C ATOM 299 C THR A 23 -8.310 11.501 -7.114 1.00 2.28 C ATOM 300 O THR A 23 -8.974 10.951 -7.993 1.00 2.68 O ATOM 301 CB THR A 23 -7.565 10.122 -5.174 1.00 2.43 C ATOM 302 OG1 THR A 23 -7.921 11.121 -4.209 1.00 3.06 O ATOM 303 CG2 THR A 23 -6.460 9.240 -4.614 1.00 2.29 C ATOM 0 H THR A 23 -6.011 12.154 -5.335 1.00 1.87 H new ATOM 0 HA THR A 23 -6.750 10.029 -7.170 1.00 2.12 H new ATOM 0 HB THR A 23 -8.433 9.499 -5.388 1.00 2.43 H new ATOM 0 HG1 THR A 23 -8.207 10.686 -3.379 1.00 3.06 H new ATOM 0 HG21 THR A 23 -6.799 8.776 -3.688 1.00 2.29 H new ATOM 0 HG22 THR A 23 -6.211 8.465 -5.339 1.00 2.29 H new ATOM 0 HG23 THR A 23 -5.577 9.847 -4.413 1.00 2.29 H new ATOM 311 N PHE A 24 -8.581 12.720 -6.651 1.00 2.25 N ATOM 312 CA PHE A 24 -9.696 13.516 -7.161 1.00 2.54 C ATOM 313 C PHE A 24 -11.035 12.847 -6.847 1.00 2.79 C ATOM 314 O PHE A 24 -12.093 13.330 -7.253 1.00 3.49 O ATOM 315 CB PHE A 24 -9.554 13.729 -8.672 1.00 2.58 C ATOM 316 CG PHE A 24 -10.465 14.788 -9.225 1.00 2.99 C ATOM 317 CD1 PHE A 24 -10.283 16.122 -8.893 1.00 3.46 C ATOM 318 CD2 PHE A 24 -11.504 14.451 -10.078 1.00 3.42 C ATOM 319 CE1 PHE A 24 -11.120 17.097 -9.401 1.00 4.14 C ATOM 320 CE2 PHE A 24 -12.345 15.422 -10.588 1.00 4.26 C ATOM 321 CZ PHE A 24 -12.152 16.747 -10.250 1.00 4.53 C ATOM 0 H PHE A 24 -8.040 13.180 -5.919 1.00 2.25 H new ATOM 0 HA PHE A 24 -9.673 14.486 -6.664 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -8.522 13.998 -8.896 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -9.756 12.787 -9.182 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -9.478 16.402 -8.230 1.00 3.46 H new ATOM 0 HD2 PHE A 24 -11.658 13.417 -10.348 1.00 3.42 H new ATOM 0 HE1 PHE A 24 -10.967 18.132 -9.134 1.00 4.14 H new ATOM 0 HE2 PHE A 24 -13.152 15.145 -11.250 1.00 4.26 H new ATOM 0 HZ PHE A 24 -12.807 17.508 -10.649 1.00 4.53 H new ATOM 331 N HIS A 25 -10.984 11.738 -6.114 1.00 2.92 N ATOM 332 CA HIS A 25 -12.191 11.005 -5.749 1.00 3.82 C ATOM 333 C HIS A 25 -12.137 10.550 -4.293 1.00 4.29 C ATOM 334 O HIS A 25 -13.019 9.828 -3.827 1.00 5.21 O ATOM 335 CB HIS A 25 -12.376 9.794 -6.667 1.00 4.09 C ATOM 336 CG HIS A 25 -12.726 10.154 -8.079 1.00 4.34 C ATOM 337 ND1 HIS A 25 -14.021 10.159 -8.555 1.00 4.48 N ATOM 338 CD2 HIS A 25 -11.943 10.518 -9.123 1.00 4.95 C ATOM 339 CE1 HIS A 25 -14.018 10.509 -9.829 1.00 5.04 C ATOM 340 NE2 HIS A 25 -12.771 10.733 -10.197 1.00 5.34 N ATOM 0 H HIS A 25 -10.119 11.328 -5.761 1.00 2.92 H new ATOM 0 HA HIS A 25 -13.041 11.677 -5.868 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -11.457 9.207 -6.668 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -13.161 9.157 -6.259 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -10.868 10.620 -9.112 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -14.889 10.597 -10.462 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -12.471 11.020 -11.129 1.00 5.34 H new ATOM 349 N GLY A 26 -11.100 10.980 -3.580 1.00 3.87 N ATOM 350 CA GLY A 26 -10.954 10.608 -2.184 1.00 4.35 C ATOM 351 C GLY A 26 -10.477 11.760 -1.322 1.00 3.82 C ATOM 352 O GLY A 26 -11.084 12.832 -1.316 1.00 3.81 O ATOM 0 H GLY A 26 -10.359 11.579 -3.944 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -11.911 10.247 -1.806 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -10.248 9.782 -2.104 1.00 4.35 H new ATOM 356 N TYR A 27 -9.389 11.539 -0.590 1.00 3.61 N ATOM 357 CA TYR A 27 -8.829 12.569 0.278 1.00 3.21 C ATOM 358 C TYR A 27 -7.853 13.457 -0.495 1.00 2.51 C ATOM 359 O TYR A 27 -6.793 12.993 -0.915 1.00 2.56 O ATOM 360 CB TYR A 27 -8.107 11.928 1.466 1.00 3.64 C ATOM 361 CG TYR A 27 -8.992 11.033 2.307 1.00 4.16 C ATOM 362 CD1 TYR A 27 -9.721 11.550 3.370 1.00 4.99 C ATOM 363 CD2 TYR A 27 -9.098 9.675 2.037 1.00 4.26 C ATOM 364 CE1 TYR A 27 -10.530 10.739 4.142 1.00 5.76 C ATOM 365 CE2 TYR A 27 -9.905 8.857 2.804 1.00 5.19 C ATOM 366 CZ TYR A 27 -10.616 9.384 3.850 1.00 5.88 C ATOM 367 OH TYR A 27 -11.424 8.581 4.621 1.00 6.91 O ATOM 0 H TYR A 27 -8.878 10.656 -0.581 1.00 3.61 H new ATOM 0 HA TYR A 27 -9.650 13.185 0.645 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -7.264 11.345 1.095 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -7.697 12.716 2.098 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -9.654 12.604 3.597 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -8.541 9.252 1.214 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -11.091 11.155 4.966 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -9.975 7.803 2.579 1.00 5.19 H new ATOM 0 HH TYR A 27 -11.379 7.659 4.292 1.00 6.91 H new ATOM 377 N PRO A 28 -8.193 14.744 -0.701 1.00 2.25 N ATOM 378 CA PRO A 28 -7.324 15.677 -1.424 1.00 2.05 C ATOM 379 C PRO A 28 -6.168 16.174 -0.561 1.00 1.79 C ATOM 380 O PRO A 28 -5.418 17.064 -0.963 1.00 2.41 O ATOM 381 CB PRO A 28 -8.264 16.829 -1.768 1.00 2.45 C ATOM 382 CG PRO A 28 -9.262 16.834 -0.663 1.00 2.79 C ATOM 383 CD PRO A 28 -9.444 15.395 -0.256 1.00 2.71 C ATOM 0 HA PRO A 28 -6.854 15.215 -2.292 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -7.728 17.776 -1.824 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -8.743 16.676 -2.735 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -8.911 17.435 0.176 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -10.206 17.268 -0.993 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -9.585 15.298 0.821 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -10.318 14.951 -0.733 1.00 2.71 H new ATOM 391 N GLY A 29 -6.034 15.593 0.627 1.00 1.45 N ATOM 392 CA GLY A 29 -4.973 15.990 1.533 1.00 1.37 C ATOM 393 C GLY A 29 -3.654 15.313 1.218 1.00 1.15 C ATOM 394 O GLY A 29 -2.596 15.769 1.656 1.00 1.42 O ATOM 0 H GLY A 29 -6.642 14.853 0.978 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -4.843 17.071 1.483 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -5.265 15.751 2.556 1.00 1.37 H new ATOM 398 N ILE A 30 -3.714 14.224 0.459 1.00 1.02 N ATOM 399 CA ILE A 30 -2.511 13.486 0.092 1.00 0.84 C ATOM 400 C ILE A 30 -1.896 14.052 -1.187 1.00 0.87 C ATOM 401 O ILE A 30 -2.556 14.151 -2.222 1.00 1.18 O ATOM 402 CB ILE A 30 -2.807 11.980 -0.091 1.00 0.87 C ATOM 403 CG1 ILE A 30 -1.518 11.211 -0.385 1.00 0.77 C ATOM 404 CG2 ILE A 30 -3.828 11.759 -1.199 1.00 1.08 C ATOM 405 CD1 ILE A 30 -0.610 11.067 0.818 1.00 0.75 C ATOM 0 H ILE A 30 -4.580 13.834 0.087 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.798 13.600 0.909 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.229 11.601 0.840 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.774 10.219 -0.758 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.975 11.720 -1.181 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.020 10.692 -1.309 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.757 12.271 -0.945 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.439 12.156 -2.137 1.00 1.08 H new ATOM 0 HD11 ILE A 30 0.284 10.511 0.535 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.324 12.055 1.178 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.135 10.531 1.608 1.00 0.75 H new ATOM 417 N THR A 31 -0.625 14.432 -1.102 1.00 0.88 N ATOM 418 CA THR A 31 0.089 14.991 -2.245 1.00 0.97 C ATOM 419 C THR A 31 1.250 14.085 -2.643 1.00 0.86 C ATOM 420 O THR A 31 1.728 13.287 -1.837 1.00 0.78 O ATOM 421 CB THR A 31 0.622 16.405 -1.933 1.00 1.07 C ATOM 422 OG1 THR A 31 -0.427 17.209 -1.378 1.00 1.72 O ATOM 423 CG2 THR A 31 1.164 17.078 -3.184 1.00 1.06 C ATOM 0 H THR A 31 -0.067 14.363 -0.251 1.00 0.88 H new ATOM 0 HA THR A 31 -0.616 15.060 -3.073 1.00 0.97 H new ATOM 0 HB THR A 31 1.435 16.307 -1.214 1.00 1.07 H new ATOM 0 HG1 THR A 31 -0.083 18.105 -1.180 1.00 1.72 H new ATOM 0 HG21 THR A 31 1.532 18.072 -2.932 1.00 1.06 H new ATOM 0 HG22 THR A 31 1.980 16.482 -3.593 1.00 1.06 H new ATOM 0 HG23 THR A 31 0.369 17.163 -3.925 1.00 1.06 H new ATOM 431 N GLU A 32 1.696 14.207 -3.890 1.00 0.93 N ATOM 432 CA GLU A 32 2.795 13.391 -4.392 1.00 0.95 C ATOM 433 C GLU A 32 4.041 13.529 -3.519 1.00 0.84 C ATOM 434 O GLU A 32 4.644 12.532 -3.124 1.00 0.91 O ATOM 435 CB GLU A 32 3.123 13.779 -5.837 1.00 1.15 C ATOM 436 CG GLU A 32 4.347 13.072 -6.398 1.00 1.47 C ATOM 437 CD GLU A 32 4.646 13.471 -7.830 1.00 1.59 C ATOM 438 OE1 GLU A 32 5.359 14.475 -8.029 1.00 1.98 O ATOM 439 OE2 GLU A 32 4.166 12.778 -8.752 1.00 1.56 O ATOM 0 H GLU A 32 1.313 14.863 -4.571 1.00 0.93 H new ATOM 0 HA GLU A 32 2.477 12.349 -4.360 1.00 0.95 H new ATOM 0 HB2 GLU A 32 2.263 13.554 -6.468 1.00 1.15 H new ATOM 0 HB3 GLU A 32 3.282 14.856 -5.887 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.211 13.299 -5.774 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.193 11.994 -6.350 1.00 1.47 H new ATOM 446 N GLU A 33 4.421 14.764 -3.217 1.00 0.80 N ATOM 447 CA GLU A 33 5.595 15.019 -2.389 1.00 0.79 C ATOM 448 C GLU A 33 5.345 14.560 -0.958 1.00 0.64 C ATOM 449 O GLU A 33 6.282 14.353 -0.186 1.00 0.70 O ATOM 450 CB GLU A 33 5.946 16.510 -2.414 1.00 0.97 C ATOM 451 CG GLU A 33 7.177 16.866 -1.594 1.00 1.63 C ATOM 452 CD GLU A 33 8.421 16.138 -2.060 1.00 2.05 C ATOM 453 OE1 GLU A 33 9.002 16.554 -3.084 1.00 2.36 O ATOM 454 OE2 GLU A 33 8.816 15.152 -1.402 1.00 2.64 O ATOM 0 H GLU A 33 3.935 15.604 -3.532 1.00 0.80 H new ATOM 0 HA GLU A 33 6.435 14.454 -2.793 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.108 16.818 -3.447 1.00 0.97 H new ATOM 0 HB3 GLU A 33 5.095 17.080 -2.041 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.348 17.941 -1.651 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.992 16.627 -0.547 1.00 1.63 H new ATOM 461 N LEU A 34 4.073 14.401 -0.616 1.00 0.54 N ATOM 462 CA LEU A 34 3.686 13.966 0.718 1.00 0.49 C ATOM 463 C LEU A 34 3.721 12.449 0.843 1.00 0.43 C ATOM 464 O LEU A 34 3.943 11.921 1.929 1.00 0.46 O ATOM 465 CB LEU A 34 2.283 14.468 1.055 1.00 0.57 C ATOM 466 CG LEU A 34 2.189 15.947 1.422 1.00 0.91 C ATOM 467 CD1 LEU A 34 0.733 16.368 1.511 1.00 1.75 C ATOM 468 CD2 LEU A 34 2.904 16.217 2.738 1.00 1.48 C ATOM 0 H LEU A 34 3.290 14.568 -1.247 1.00 0.54 H new ATOM 0 HA LEU A 34 4.406 14.388 1.420 1.00 0.49 H new ATOM 0 HB2 LEU A 34 1.633 14.281 0.200 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.894 13.879 1.886 1.00 0.57 H new ATOM 0 HG LEU A 34 2.677 16.533 0.643 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.675 17.424 1.773 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.248 16.206 0.548 1.00 1.75 H new ATOM 0 HD13 LEU A 34 0.229 15.776 2.275 1.00 1.75 H new ATOM 0 HD21 LEU A 34 2.827 17.276 2.984 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.444 15.626 3.530 1.00 1.48 H new ATOM 0 HD23 LEU A 34 3.955 15.942 2.644 1.00 1.48 H new ATOM 480 N LEU A 35 3.514 11.751 -0.272 1.00 0.45 N ATOM 481 CA LEU A 35 3.502 10.295 -0.275 1.00 0.49 C ATOM 482 C LEU A 35 4.642 9.733 0.575 1.00 0.43 C ATOM 483 O LEU A 35 4.466 8.754 1.300 1.00 0.50 O ATOM 484 CB LEU A 35 3.576 9.780 -1.721 1.00 0.63 C ATOM 485 CG LEU A 35 4.970 9.405 -2.240 1.00 0.64 C ATOM 486 CD1 LEU A 35 5.308 7.967 -1.879 1.00 0.89 C ATOM 487 CD2 LEU A 35 5.047 9.600 -3.746 1.00 1.08 C ATOM 0 H LEU A 35 3.352 12.174 -1.186 1.00 0.45 H new ATOM 0 HA LEU A 35 2.569 9.949 0.170 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.933 8.904 -1.805 1.00 0.63 H new ATOM 0 HB3 LEU A 35 3.161 10.544 -2.378 1.00 0.63 H new ATOM 0 HG LEU A 35 5.699 10.062 -1.765 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.301 7.721 -2.256 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.292 7.851 -0.795 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.574 7.297 -2.326 1.00 0.89 H new ATOM 0 HD21 LEU A 35 6.043 9.329 -4.097 1.00 1.08 H new ATOM 0 HD22 LEU A 35 4.306 8.967 -4.233 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.848 10.644 -3.988 1.00 1.08 H new ATOM 499 N ARG A 36 5.809 10.358 0.484 1.00 0.38 N ATOM 500 CA ARG A 36 6.972 9.929 1.251 1.00 0.38 C ATOM 501 C ARG A 36 6.956 10.514 2.663 1.00 0.34 C ATOM 502 O ARG A 36 6.929 9.783 3.653 1.00 0.37 O ATOM 503 CB ARG A 36 8.257 10.337 0.518 1.00 0.46 C ATOM 504 CG ARG A 36 9.432 10.644 1.438 1.00 1.18 C ATOM 505 CD ARG A 36 10.570 11.308 0.682 1.00 1.73 C ATOM 506 NE ARG A 36 11.637 11.749 1.579 1.00 2.64 N ATOM 507 CZ ARG A 36 12.397 12.818 1.358 1.00 3.41 C ATOM 508 NH1 ARG A 36 12.206 13.564 0.277 1.00 3.46 N ATOM 509 NH2 ARG A 36 13.350 13.142 2.220 1.00 4.28 N ATOM 0 H ARG A 36 5.976 11.166 -0.115 1.00 0.38 H new ATOM 0 HA ARG A 36 6.939 8.843 1.343 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.543 9.535 -0.163 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.050 11.215 -0.093 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.102 11.296 2.247 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.788 9.721 1.897 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.976 10.609 -0.049 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.186 12.164 0.126 1.00 1.73 H new ATOM 0 HE ARG A 36 11.809 11.205 2.424 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.474 13.319 -0.389 1.00 3.46 H new ATOM 0 HH12 ARG A 36 12.792 14.383 0.112 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.500 12.572 3.052 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.933 13.962 2.051 1.00 4.28 H new ATOM 523 N SER A 37 6.971 11.840 2.735 1.00 0.36 N ATOM 524 CA SER A 37 6.994 12.561 4.006 1.00 0.40 C ATOM 525 C SER A 37 5.882 12.128 4.965 1.00 0.40 C ATOM 526 O SER A 37 5.980 12.354 6.171 1.00 0.46 O ATOM 527 CB SER A 37 6.890 14.065 3.752 1.00 0.47 C ATOM 528 OG SER A 37 7.958 14.522 2.943 1.00 1.33 O ATOM 0 H SER A 37 6.968 12.447 1.915 1.00 0.36 H new ATOM 0 HA SER A 37 7.942 12.318 4.485 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.940 14.290 3.266 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.896 14.598 4.703 1.00 0.47 H new ATOM 0 HG SER A 37 7.866 15.486 2.795 1.00 1.33 H new ATOM 534 N GLN A 38 4.827 11.512 4.439 1.00 0.36 N ATOM 535 CA GLN A 38 3.705 11.091 5.274 1.00 0.39 C ATOM 536 C GLN A 38 4.104 10.014 6.284 1.00 0.43 C ATOM 537 O GLN A 38 3.909 10.191 7.486 1.00 0.67 O ATOM 538 CB GLN A 38 2.538 10.602 4.411 1.00 0.42 C ATOM 539 CG GLN A 38 1.749 11.726 3.752 1.00 0.74 C ATOM 540 CD GLN A 38 0.719 12.363 4.672 1.00 1.11 C ATOM 541 OE1 GLN A 38 1.008 12.399 5.968 1.00 1.74 O flip ATOM 542 NE2 GLN A 38 -0.327 12.825 4.217 1.00 1.84 N flip ATOM 0 H GLN A 38 4.725 11.295 3.448 1.00 0.36 H new ATOM 0 HA GLN A 38 3.387 11.967 5.840 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.924 9.939 3.637 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.863 10.011 5.030 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.443 12.494 3.409 1.00 0.74 H new ATOM 0 HG3 GLN A 38 1.244 11.335 2.869 1.00 0.74 H new ATOM 0 HE21 GLN A 38 -0.512 12.778 3.215 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -1.009 13.255 4.842 1.00 1.84 H new ATOM 551 N LEU A 39 4.658 8.899 5.806 1.00 0.41 N ATOM 552 CA LEU A 39 5.054 7.815 6.706 1.00 0.53 C ATOM 553 C LEU A 39 6.527 7.437 6.547 1.00 0.51 C ATOM 554 O LEU A 39 7.230 7.253 7.540 1.00 0.61 O ATOM 555 CB LEU A 39 4.174 6.577 6.498 1.00 0.69 C ATOM 556 CG LEU A 39 3.357 6.546 5.202 1.00 0.78 C ATOM 557 CD1 LEU A 39 2.999 5.114 4.838 1.00 1.09 C ATOM 558 CD2 LEU A 39 2.093 7.380 5.348 1.00 1.07 C ATOM 0 H LEU A 39 4.840 8.724 4.818 1.00 0.41 H new ATOM 0 HA LEU A 39 4.913 8.188 7.721 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.812 5.693 6.524 1.00 0.69 H new ATOM 0 HB3 LEU A 39 3.486 6.498 7.340 1.00 0.69 H new ATOM 0 HG LEU A 39 3.964 6.971 4.403 1.00 0.78 H new ATOM 0 HD11 LEU A 39 2.419 5.107 3.915 1.00 1.09 H new ATOM 0 HD12 LEU A 39 3.912 4.535 4.697 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.409 4.671 5.641 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.525 7.346 4.418 1.00 1.07 H new ATOM 0 HD22 LEU A 39 1.485 6.980 6.159 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.362 8.412 5.572 1.00 1.07 H new ATOM 570 N TYR A 40 6.994 7.315 5.306 1.00 0.46 N ATOM 571 CA TYR A 40 8.386 6.943 5.057 1.00 0.48 C ATOM 572 C TYR A 40 9.223 8.136 4.610 1.00 0.42 C ATOM 573 O TYR A 40 9.250 8.464 3.426 1.00 0.46 O ATOM 574 CB TYR A 40 8.487 5.826 4.010 1.00 0.58 C ATOM 575 CG TYR A 40 7.416 5.853 2.943 1.00 0.63 C ATOM 576 CD1 TYR A 40 6.114 5.466 3.232 1.00 0.99 C ATOM 577 CD2 TYR A 40 7.701 6.283 1.653 1.00 0.89 C ATOM 578 CE1 TYR A 40 5.128 5.508 2.266 1.00 1.38 C ATOM 579 CE2 TYR A 40 6.720 6.323 0.683 1.00 1.30 C ATOM 580 CZ TYR A 40 5.456 5.869 0.971 1.00 1.48 C ATOM 581 OH TYR A 40 4.459 5.983 0.025 1.00 1.97 O ATOM 0 H TYR A 40 6.436 7.466 4.465 1.00 0.46 H new ATOM 0 HA TYR A 40 8.783 6.579 6.005 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.462 5.888 3.527 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.446 4.864 4.521 1.00 0.58 H new ATOM 0 HD1 TYR A 40 5.869 5.127 4.228 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.706 6.591 1.405 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.108 5.261 2.520 1.00 1.38 H new ATOM 0 HE2 TYR A 40 6.946 6.710 -0.300 1.00 1.30 H new ATOM 0 HH TYR A 40 4.710 5.479 -0.777 1.00 1.97 H new ATOM 591 N PRO A 41 9.920 8.804 5.551 1.00 0.47 N ATOM 592 CA PRO A 41 10.770 9.951 5.229 1.00 0.51 C ATOM 593 C PRO A 41 12.113 9.513 4.654 1.00 0.57 C ATOM 594 O PRO A 41 12.833 10.309 4.050 1.00 0.79 O ATOM 595 CB PRO A 41 10.962 10.627 6.585 1.00 0.66 C ATOM 596 CG PRO A 41 10.904 9.508 7.565 1.00 0.75 C ATOM 597 CD PRO A 41 9.933 8.504 6.999 1.00 0.62 C ATOM 0 HA PRO A 41 10.330 10.601 4.473 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.916 11.152 6.636 1.00 0.66 H new ATOM 0 HB3 PRO A 41 10.182 11.364 6.776 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.888 9.061 7.705 1.00 0.75 H new ATOM 0 HG3 PRO A 41 10.573 9.862 8.541 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.256 7.481 7.193 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.942 8.614 7.439 1.00 0.62 H new ATOM 605 N GLU A 42 12.438 8.236 4.848 1.00 0.48 N ATOM 606 CA GLU A 42 13.693 7.679 4.352 1.00 0.55 C ATOM 607 C GLU A 42 13.629 7.456 2.845 1.00 0.57 C ATOM 608 O GLU A 42 14.535 7.854 2.113 1.00 0.71 O ATOM 609 CB GLU A 42 14.011 6.364 5.068 1.00 0.59 C ATOM 610 CG GLU A 42 12.898 5.333 4.980 1.00 0.58 C ATOM 611 CD GLU A 42 13.167 4.110 5.834 1.00 0.72 C ATOM 612 OE1 GLU A 42 12.892 4.162 7.051 1.00 0.87 O ATOM 613 OE2 GLU A 42 13.656 3.099 5.286 1.00 0.94 O ATOM 0 H GLU A 42 11.849 7.568 5.345 1.00 0.48 H new ATOM 0 HA GLU A 42 14.489 8.394 4.559 1.00 0.55 H new ATOM 0 HB2 GLU A 42 14.921 5.940 4.642 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.218 6.573 6.118 1.00 0.59 H new ATOM 0 HG2 GLU A 42 11.959 5.790 5.292 1.00 0.58 H new ATOM 0 HG3 GLU A 42 12.773 5.026 3.942 1.00 0.58 H new ATOM 620 N VAL A 43 12.554 6.819 2.388 1.00 0.52 N ATOM 621 CA VAL A 43 12.364 6.551 0.967 1.00 0.60 C ATOM 622 C VAL A 43 12.102 7.853 0.210 1.00 0.51 C ATOM 623 O VAL A 43 11.050 8.464 0.377 1.00 0.52 O ATOM 624 CB VAL A 43 11.192 5.565 0.740 1.00 0.74 C ATOM 625 CG1 VAL A 43 10.446 5.855 -0.555 1.00 0.90 C ATOM 626 CG2 VAL A 43 11.702 4.136 0.736 1.00 0.99 C ATOM 0 H VAL A 43 11.800 6.478 2.984 1.00 0.52 H new ATOM 0 HA VAL A 43 13.278 6.095 0.586 1.00 0.60 H new ATOM 0 HB VAL A 43 10.490 5.698 1.563 1.00 0.74 H new ATOM 0 HG11 VAL A 43 9.632 5.140 -0.674 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.039 6.866 -0.522 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.132 5.768 -1.397 1.00 0.90 H new ATOM 0 HG21 VAL A 43 10.868 3.453 0.576 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.432 4.012 -0.064 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.173 3.915 1.694 1.00 0.99 H new ATOM 636 N PRO A 44 13.059 8.307 -0.621 1.00 0.56 N ATOM 637 CA PRO A 44 12.898 9.540 -1.394 1.00 0.54 C ATOM 638 C PRO A 44 11.702 9.459 -2.338 1.00 0.54 C ATOM 639 O PRO A 44 11.247 8.366 -2.673 1.00 0.60 O ATOM 640 CB PRO A 44 14.204 9.653 -2.189 1.00 0.64 C ATOM 641 CG PRO A 44 15.175 8.786 -1.464 1.00 0.67 C ATOM 642 CD PRO A 44 14.363 7.671 -0.873 1.00 0.76 C ATOM 0 HA PRO A 44 12.711 10.403 -0.754 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.069 9.320 -3.218 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.552 10.685 -2.231 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.936 8.399 -2.142 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.695 9.346 -0.687 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.275 6.829 -1.559 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.810 7.289 0.045 1.00 0.76 H new ATOM 650 N PRO A 45 11.173 10.613 -2.780 1.00 0.56 N ATOM 651 CA PRO A 45 10.024 10.661 -3.690 1.00 0.67 C ATOM 652 C PRO A 45 10.380 10.177 -5.096 1.00 0.77 C ATOM 653 O PRO A 45 9.663 10.455 -6.058 1.00 1.08 O ATOM 654 CB PRO A 45 9.642 12.151 -3.713 1.00 0.72 C ATOM 655 CG PRO A 45 10.371 12.759 -2.560 1.00 0.63 C ATOM 656 CD PRO A 45 11.631 11.964 -2.429 1.00 0.56 C ATOM 0 HA PRO A 45 9.215 10.009 -3.359 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.934 12.618 -4.654 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.565 12.283 -3.612 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.587 13.812 -2.742 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.777 12.708 -1.648 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.410 12.319 -3.103 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.039 12.008 -1.419 1.00 0.56 H new ATOM 664 N GLU A 46 11.493 9.451 -5.204 1.00 0.65 N ATOM 665 CA GLU A 46 11.951 8.923 -6.484 1.00 0.77 C ATOM 666 C GLU A 46 12.499 7.504 -6.327 1.00 0.71 C ATOM 667 O GLU A 46 12.281 6.648 -7.184 1.00 0.81 O ATOM 668 CB GLU A 46 13.030 9.835 -7.073 1.00 0.92 C ATOM 669 CG GLU A 46 13.635 9.315 -8.367 1.00 1.61 C ATOM 670 CD GLU A 46 12.614 9.191 -9.483 1.00 2.17 C ATOM 671 OE1 GLU A 46 11.971 8.125 -9.584 1.00 3.02 O ATOM 672 OE2 GLU A 46 12.458 10.161 -10.254 1.00 2.25 O ATOM 0 H GLU A 46 12.095 9.216 -4.415 1.00 0.65 H new ATOM 0 HA GLU A 46 11.098 8.889 -7.162 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.600 10.820 -7.254 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.824 9.964 -6.338 1.00 0.92 H new ATOM 0 HG2 GLU A 46 14.434 9.985 -8.684 1.00 1.61 H new ATOM 0 HG3 GLU A 46 14.089 8.341 -8.185 1.00 1.61 H new ATOM 679 N GLU A 47 13.210 7.264 -5.227 1.00 0.63 N ATOM 680 CA GLU A 47 13.794 5.951 -4.960 1.00 0.66 C ATOM 681 C GLU A 47 12.763 4.988 -4.383 1.00 0.55 C ATOM 682 O GLU A 47 13.109 3.908 -3.905 1.00 0.59 O ATOM 683 CB GLU A 47 14.974 6.079 -3.996 1.00 0.81 C ATOM 684 CG GLU A 47 16.303 6.333 -4.689 1.00 1.25 C ATOM 685 CD GLU A 47 17.476 6.327 -3.726 1.00 1.42 C ATOM 686 OE1 GLU A 47 17.775 7.392 -3.147 1.00 1.58 O ATOM 687 OE2 GLU A 47 18.095 5.256 -3.553 1.00 1.62 O ATOM 0 H GLU A 47 13.396 7.961 -4.506 1.00 0.63 H new ATOM 0 HA GLU A 47 14.144 5.548 -5.910 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.776 6.893 -3.299 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.051 5.166 -3.406 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.461 5.572 -5.453 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.263 7.294 -5.201 1.00 1.25 H new ATOM 694 N PHE A 48 11.498 5.385 -4.424 1.00 0.48 N ATOM 695 CA PHE A 48 10.422 4.548 -3.904 1.00 0.45 C ATOM 696 C PHE A 48 10.061 3.445 -4.891 1.00 0.41 C ATOM 697 O PHE A 48 9.599 2.379 -4.498 1.00 0.45 O ATOM 698 CB PHE A 48 9.186 5.396 -3.601 1.00 0.54 C ATOM 699 CG PHE A 48 8.542 5.991 -4.822 1.00 1.39 C ATOM 700 CD1 PHE A 48 9.093 7.101 -5.440 1.00 2.39 C ATOM 701 CD2 PHE A 48 7.388 5.439 -5.352 1.00 1.41 C ATOM 702 CE1 PHE A 48 8.507 7.650 -6.564 1.00 3.37 C ATOM 703 CE2 PHE A 48 6.795 5.984 -6.476 1.00 2.36 C ATOM 704 CZ PHE A 48 7.345 7.094 -7.076 1.00 3.35 C ATOM 0 H PHE A 48 11.191 6.278 -4.810 1.00 0.48 H new ATOM 0 HA PHE A 48 10.774 4.086 -2.982 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.454 4.780 -3.080 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.467 6.201 -2.922 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.993 7.543 -5.038 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.946 4.573 -4.882 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.953 8.510 -7.042 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.900 5.538 -6.883 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.872 7.531 -7.943 1.00 3.35 H new ATOM 714 N ARG A 49 10.291 3.711 -6.172 1.00 0.43 N ATOM 715 CA ARG A 49 9.968 2.759 -7.231 1.00 0.47 C ATOM 716 C ARG A 49 10.652 1.399 -7.038 1.00 0.49 C ATOM 717 O ARG A 49 9.980 0.370 -7.061 1.00 0.52 O ATOM 718 CB ARG A 49 10.341 3.341 -8.596 1.00 0.58 C ATOM 719 CG ARG A 49 9.342 3.012 -9.691 1.00 1.06 C ATOM 720 CD ARG A 49 7.981 3.627 -9.404 1.00 1.14 C ATOM 721 NE ARG A 49 7.146 3.695 -10.601 1.00 1.80 N ATOM 722 CZ ARG A 49 5.912 4.191 -10.614 1.00 2.30 C ATOM 723 NH1 ARG A 49 5.373 4.667 -9.498 1.00 2.42 N ATOM 724 NH2 ARG A 49 5.217 4.217 -11.743 1.00 3.07 N ATOM 0 H ARG A 49 10.702 4.583 -6.505 1.00 0.43 H new ATOM 0 HA ARG A 49 8.893 2.587 -7.182 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.428 4.424 -8.508 1.00 0.58 H new ATOM 0 HB3 ARG A 49 11.322 2.965 -8.886 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.714 3.379 -10.647 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.242 1.930 -9.782 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.472 3.039 -8.640 1.00 1.14 H new ATOM 0 HD3 ARG A 49 8.115 4.630 -8.998 1.00 1.14 H new ATOM 0 HE ARG A 49 7.531 3.342 -11.477 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.905 4.653 -8.628 1.00 2.42 H new ATOM 0 HH12 ARG A 49 4.426 5.047 -9.510 1.00 2.42 H new ATOM 0 HH21 ARG A 49 5.629 3.856 -12.604 1.00 3.07 H new ATOM 0 HH22 ARG A 49 4.271 4.598 -11.751 1.00 3.07 H new ATOM 738 N PRO A 50 11.990 1.359 -6.850 1.00 0.52 N ATOM 739 CA PRO A 50 12.713 0.093 -6.674 1.00 0.59 C ATOM 740 C PRO A 50 12.133 -0.761 -5.553 1.00 0.58 C ATOM 741 O PRO A 50 12.133 -1.990 -5.635 1.00 0.68 O ATOM 742 CB PRO A 50 14.150 0.520 -6.338 1.00 0.63 C ATOM 743 CG PRO A 50 14.072 1.975 -6.017 1.00 0.58 C ATOM 744 CD PRO A 50 12.899 2.515 -6.783 1.00 0.54 C ATOM 0 HA PRO A 50 12.646 -0.528 -7.568 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.540 -0.047 -5.493 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.819 0.340 -7.179 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.941 2.130 -4.946 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.991 2.486 -6.303 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.439 3.362 -6.274 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.189 2.859 -7.776 1.00 0.54 H new ATOM 752 N PHE A 51 11.638 -0.109 -4.508 1.00 0.49 N ATOM 753 CA PHE A 51 11.048 -0.821 -3.382 1.00 0.51 C ATOM 754 C PHE A 51 9.549 -1.007 -3.594 1.00 0.45 C ATOM 755 O PHE A 51 8.920 -1.854 -2.959 1.00 0.52 O ATOM 756 CB PHE A 51 11.303 -0.064 -2.075 1.00 0.60 C ATOM 757 CG PHE A 51 12.012 -0.887 -1.037 1.00 0.99 C ATOM 758 CD1 PHE A 51 11.346 -1.895 -0.360 1.00 1.29 C ATOM 759 CD2 PHE A 51 13.344 -0.649 -0.738 1.00 1.44 C ATOM 760 CE1 PHE A 51 11.996 -2.654 0.595 1.00 1.88 C ATOM 761 CE2 PHE A 51 13.999 -1.404 0.216 1.00 2.02 C ATOM 762 CZ PHE A 51 13.322 -2.411 0.882 1.00 2.20 C ATOM 0 H PHE A 51 11.633 0.907 -4.417 1.00 0.49 H new ATOM 0 HA PHE A 51 11.517 -1.803 -3.315 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.895 0.826 -2.289 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.350 0.277 -1.669 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.307 -2.090 -0.581 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.876 0.135 -1.256 1.00 1.44 H new ATOM 0 HE1 PHE A 51 11.465 -3.437 1.116 1.00 1.88 H new ATOM 0 HE2 PHE A 51 15.037 -1.209 0.442 1.00 2.02 H new ATOM 0 HZ PHE A 51 13.832 -3.005 1.626 1.00 2.20 H new ATOM 772 N LEU A 52 8.987 -0.207 -4.495 1.00 0.40 N ATOM 773 CA LEU A 52 7.564 -0.268 -4.799 1.00 0.43 C ATOM 774 C LEU A 52 7.286 -1.254 -5.923 1.00 0.44 C ATOM 775 O LEU A 52 6.138 -1.599 -6.180 1.00 0.50 O ATOM 776 CB LEU A 52 7.046 1.114 -5.190 1.00 0.55 C ATOM 777 CG LEU A 52 5.537 1.302 -5.050 1.00 0.56 C ATOM 778 CD1 LEU A 52 5.137 1.299 -3.584 1.00 1.33 C ATOM 779 CD2 LEU A 52 5.096 2.590 -5.724 1.00 1.15 C ATOM 0 H LEU A 52 9.500 0.494 -5.029 1.00 0.40 H new ATOM 0 HA LEU A 52 7.045 -0.608 -3.903 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.548 1.861 -4.575 1.00 0.55 H new ATOM 0 HB3 LEU A 52 7.327 1.311 -6.225 1.00 0.55 H new ATOM 0 HG LEU A 52 5.036 0.470 -5.545 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.059 1.434 -3.501 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.420 0.348 -3.132 1.00 1.33 H new ATOM 0 HD13 LEU A 52 5.645 2.112 -3.066 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.018 2.707 -5.614 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.602 3.436 -5.259 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.351 2.552 -6.783 1.00 1.15 H new ATOM 791 N ALA A 53 8.338 -1.694 -6.602 1.00 0.48 N ATOM 792 CA ALA A 53 8.190 -2.645 -7.700 1.00 0.59 C ATOM 793 C ALA A 53 7.358 -3.844 -7.263 1.00 0.60 C ATOM 794 O ALA A 53 6.637 -4.441 -8.062 1.00 0.76 O ATOM 795 CB ALA A 53 9.554 -3.096 -8.201 1.00 0.67 C ATOM 0 H ALA A 53 9.299 -1.410 -6.414 1.00 0.48 H new ATOM 0 HA ALA A 53 7.669 -2.147 -8.518 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.425 -3.804 -9.019 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.116 -2.231 -8.555 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.100 -3.576 -7.388 1.00 0.67 H new ATOM 801 N LYS A 54 7.468 -4.189 -5.985 1.00 0.51 N ATOM 802 CA LYS A 54 6.718 -5.303 -5.419 1.00 0.55 C ATOM 803 C LYS A 54 5.610 -4.780 -4.508 1.00 0.48 C ATOM 804 O LYS A 54 4.816 -5.550 -3.966 1.00 0.57 O ATOM 805 CB LYS A 54 7.650 -6.225 -4.632 1.00 0.62 C ATOM 806 CG LYS A 54 8.737 -6.864 -5.483 1.00 0.76 C ATOM 807 CD LYS A 54 9.703 -7.680 -4.637 1.00 0.94 C ATOM 808 CE LYS A 54 10.497 -6.796 -3.686 1.00 1.21 C ATOM 809 NZ LYS A 54 11.482 -7.579 -2.890 1.00 1.84 N ATOM 0 H LYS A 54 8.073 -3.710 -5.318 1.00 0.51 H new ATOM 0 HA LYS A 54 6.269 -5.871 -6.234 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.117 -5.655 -3.829 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.058 -7.011 -4.163 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.280 -7.506 -6.236 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.286 -6.088 -6.016 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.148 -8.424 -4.066 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.388 -8.223 -5.288 1.00 0.94 H new ATOM 0 HE2 LYS A 54 11.020 -6.028 -4.256 1.00 1.21 H new ATOM 0 HE3 LYS A 54 9.812 -6.282 -3.012 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.855 -6.987 -2.120 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.016 -8.417 -2.488 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 12.265 -7.880 -3.505 1.00 1.84 H new ATOM 823 N MET A 55 5.572 -3.461 -4.352 1.00 0.38 N ATOM 824 CA MET A 55 4.579 -2.804 -3.509 1.00 0.34 C ATOM 825 C MET A 55 3.742 -1.804 -4.310 1.00 0.33 C ATOM 826 O MET A 55 3.120 -0.907 -3.739 1.00 0.35 O ATOM 827 CB MET A 55 5.282 -2.085 -2.355 1.00 0.33 C ATOM 828 CG MET A 55 5.354 -2.908 -1.078 1.00 0.42 C ATOM 829 SD MET A 55 3.720 -3.342 -0.456 1.00 1.95 S ATOM 830 CE MET A 55 3.028 -1.717 -0.161 1.00 2.78 C ATOM 0 H MET A 55 6.225 -2.820 -4.803 1.00 0.38 H new ATOM 0 HA MET A 55 3.907 -3.567 -3.115 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.293 -1.821 -2.665 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.759 -1.152 -2.147 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.923 -3.818 -1.266 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.894 -2.346 -0.316 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.427 -1.737 0.748 1.00 2.78 H new ATOM 0 HE2 MET A 55 3.835 -0.993 -0.047 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.400 -1.430 -1.005 1.00 2.78 H new ATOM 840 N ARG A 56 3.714 -1.974 -5.629 1.00 0.37 N ATOM 841 CA ARG A 56 2.965 -1.075 -6.507 1.00 0.42 C ATOM 842 C ARG A 56 1.689 -1.727 -7.029 1.00 0.41 C ATOM 843 O ARG A 56 0.673 -1.056 -7.220 1.00 0.43 O ATOM 844 CB ARG A 56 3.836 -0.662 -7.691 1.00 0.54 C ATOM 845 CG ARG A 56 4.250 -1.837 -8.560 1.00 1.09 C ATOM 846 CD ARG A 56 4.910 -1.381 -9.846 1.00 1.35 C ATOM 847 NE ARG A 56 4.016 -0.563 -10.661 1.00 1.81 N ATOM 848 CZ ARG A 56 4.268 -0.224 -11.922 1.00 2.37 C ATOM 849 NH1 ARG A 56 5.382 -0.634 -12.513 1.00 2.58 N ATOM 850 NH2 ARG A 56 3.403 0.523 -12.595 1.00 3.05 N ATOM 0 H ARG A 56 4.201 -2.726 -6.115 1.00 0.37 H new ATOM 0 HA ARG A 56 2.686 -0.200 -5.920 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.293 0.060 -8.300 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.729 -0.159 -7.320 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.938 -2.475 -8.005 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.374 -2.441 -8.795 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.808 -0.811 -9.610 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.227 -2.252 -10.419 1.00 1.35 H new ATOM 0 HE ARG A 56 3.148 -0.233 -10.239 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.049 -1.211 -12.000 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.572 -0.372 -13.480 1.00 2.58 H new ATOM 0 HH21 ARG A 56 2.543 0.838 -12.145 1.00 3.05 H new ATOM 0 HH22 ARG A 56 3.597 0.782 -13.562 1.00 3.05 H new ATOM 864 N GLY A 57 1.748 -3.035 -7.264 1.00 0.43 N ATOM 865 CA GLY A 57 0.595 -3.753 -7.779 1.00 0.45 C ATOM 866 C GLY A 57 -0.606 -3.686 -6.856 1.00 0.39 C ATOM 867 O GLY A 57 -1.661 -4.239 -7.162 1.00 0.48 O ATOM 0 H GLY A 57 2.575 -3.611 -7.107 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.322 -3.342 -8.751 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.866 -4.797 -7.939 1.00 0.45 H new ATOM 871 N ILE A 58 -0.448 -3.011 -5.726 1.00 0.41 N ATOM 872 CA ILE A 58 -1.519 -2.877 -4.754 1.00 0.39 C ATOM 873 C ILE A 58 -2.167 -1.499 -4.814 1.00 0.40 C ATOM 874 O ILE A 58 -3.353 -1.347 -4.519 1.00 0.47 O ATOM 875 CB ILE A 58 -0.982 -3.108 -3.340 1.00 0.42 C ATOM 876 CG1 ILE A 58 -0.097 -4.349 -3.327 1.00 0.53 C ATOM 877 CG2 ILE A 58 -2.127 -3.249 -2.350 1.00 0.43 C ATOM 878 CD1 ILE A 58 1.363 -4.064 -3.620 1.00 0.71 C ATOM 0 H ILE A 58 0.420 -2.545 -5.460 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.271 -3.627 -4.999 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.386 -2.247 -3.039 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.175 -4.829 -2.351 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.473 -5.060 -4.063 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.725 -3.413 -1.350 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.727 -2.339 -2.356 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.751 -4.097 -2.634 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.928 -4.996 -3.593 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.454 -3.613 -4.608 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.758 -3.378 -2.870 1.00 0.71 H new ATOM 890 N LEU A 59 -1.382 -0.498 -5.199 1.00 0.44 N ATOM 891 CA LEU A 59 -1.870 0.874 -5.279 1.00 0.49 C ATOM 892 C LEU A 59 -2.952 1.025 -6.348 1.00 0.52 C ATOM 893 O LEU A 59 -4.081 1.408 -6.045 1.00 0.56 O ATOM 894 CB LEU A 59 -0.703 1.833 -5.556 1.00 0.58 C ATOM 895 CG LEU A 59 -1.025 3.333 -5.472 1.00 0.88 C ATOM 896 CD1 LEU A 59 -1.672 3.827 -6.756 1.00 1.39 C ATOM 897 CD2 LEU A 59 -1.919 3.633 -4.276 1.00 1.71 C ATOM 0 H LEU A 59 -0.403 -0.612 -5.461 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.320 1.127 -4.319 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.096 1.614 -4.848 1.00 0.58 H new ATOM 0 HB3 LEU A 59 -0.314 1.621 -6.552 1.00 0.58 H new ATOM 0 HG LEU A 59 -0.083 3.866 -5.338 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.889 4.892 -6.668 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.992 3.663 -7.592 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -2.599 3.281 -6.930 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.132 4.701 -4.240 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.853 3.080 -4.372 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.413 3.333 -3.359 1.00 1.71 H new ATOM 909 N LYS A 60 -2.605 0.724 -7.595 1.00 0.59 N ATOM 910 CA LYS A 60 -3.554 0.845 -8.697 1.00 0.68 C ATOM 911 C LYS A 60 -4.722 -0.124 -8.531 1.00 0.65 C ATOM 912 O LYS A 60 -5.762 0.030 -9.169 1.00 0.74 O ATOM 913 CB LYS A 60 -2.850 0.617 -10.043 1.00 0.80 C ATOM 914 CG LYS A 60 -2.847 -0.828 -10.521 1.00 0.92 C ATOM 915 CD LYS A 60 -1.969 -1.713 -9.651 1.00 1.07 C ATOM 916 CE LYS A 60 -1.960 -3.147 -10.154 1.00 1.10 C ATOM 917 NZ LYS A 60 -1.512 -3.236 -11.571 1.00 1.60 N ATOM 0 H LYS A 60 -1.678 0.396 -7.868 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.956 1.858 -8.682 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -3.333 1.235 -10.800 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.819 0.961 -9.961 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.867 -1.213 -10.518 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -2.494 -0.868 -11.552 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.951 -1.322 -9.641 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.330 -1.688 -8.623 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.301 -3.748 -9.527 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.960 -3.570 -10.062 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.883 -4.057 -11.685 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -2.340 -3.345 -12.191 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.999 -2.369 -11.828 1.00 1.60 H new ATOM 931 N SER A 61 -4.543 -1.124 -7.676 1.00 0.55 N ATOM 932 CA SER A 61 -5.584 -2.117 -7.433 1.00 0.55 C ATOM 933 C SER A 61 -6.664 -1.582 -6.492 1.00 0.57 C ATOM 934 O SER A 61 -7.852 -1.830 -6.694 1.00 0.71 O ATOM 935 CB SER A 61 -4.973 -3.388 -6.843 1.00 0.51 C ATOM 936 OG SER A 61 -4.133 -4.033 -7.784 1.00 1.20 O ATOM 0 H SER A 61 -3.688 -1.269 -7.139 1.00 0.55 H new ATOM 0 HA SER A 61 -6.051 -2.345 -8.391 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.400 -3.139 -5.950 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.767 -4.068 -6.534 1.00 0.51 H new ATOM 0 HG SER A 61 -3.330 -4.366 -7.331 1.00 1.20 H new ATOM 942 N ILE A 62 -6.246 -0.854 -5.463 1.00 0.50 N ATOM 943 CA ILE A 62 -7.183 -0.303 -4.489 1.00 0.56 C ATOM 944 C ILE A 62 -7.788 1.024 -4.946 1.00 0.64 C ATOM 945 O ILE A 62 -9.001 1.219 -4.865 1.00 0.70 O ATOM 946 CB ILE A 62 -6.506 -0.102 -3.117 1.00 0.55 C ATOM 947 CG1 ILE A 62 -5.988 -1.440 -2.582 1.00 0.54 C ATOM 948 CG2 ILE A 62 -7.480 0.532 -2.130 1.00 0.65 C ATOM 949 CD1 ILE A 62 -5.158 -1.312 -1.323 1.00 0.79 C ATOM 0 H ILE A 62 -5.267 -0.632 -5.281 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.988 -1.033 -4.398 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.659 0.572 -3.240 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.837 -2.094 -2.382 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.389 -1.922 -3.354 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.987 0.667 -1.168 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.804 1.501 -2.510 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.346 -0.118 -2.006 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.826 -2.300 -1.004 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.289 -0.684 -1.522 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.760 -0.859 -0.535 1.00 0.79 H new ATOM 961 N ALA A 63 -6.946 1.937 -5.412 1.00 0.68 N ATOM 962 CA ALA A 63 -7.412 3.252 -5.847 1.00 0.79 C ATOM 963 C ALA A 63 -7.924 3.258 -7.288 1.00 0.84 C ATOM 964 O ALA A 63 -9.099 3.533 -7.537 1.00 0.90 O ATOM 965 CB ALA A 63 -6.302 4.278 -5.686 1.00 0.88 C ATOM 0 H ALA A 63 -5.940 1.794 -5.499 1.00 0.68 H new ATOM 0 HA ALA A 63 -8.257 3.513 -5.210 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -6.659 5.255 -6.013 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -6.006 4.332 -4.638 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -5.444 3.984 -6.291 1.00 0.88 H new ATOM 971 N SER A 64 -7.039 2.953 -8.232 1.00 0.88 N ATOM 972 CA SER A 64 -7.391 2.963 -9.651 1.00 1.00 C ATOM 973 C SER A 64 -8.408 1.883 -10.018 1.00 0.96 C ATOM 974 O SER A 64 -9.266 2.104 -10.873 1.00 1.11 O ATOM 975 CB SER A 64 -6.133 2.800 -10.507 1.00 1.13 C ATOM 976 OG SER A 64 -6.452 2.785 -11.887 1.00 1.56 O ATOM 0 H SER A 64 -6.071 2.695 -8.041 1.00 0.88 H new ATOM 0 HA SER A 64 -7.858 3.927 -9.852 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.441 3.616 -10.300 1.00 1.13 H new ATOM 0 HB3 SER A 64 -5.624 1.874 -10.238 1.00 1.13 H new ATOM 0 HG SER A 64 -5.631 2.681 -12.411 1.00 1.56 H new ATOM 982 N ALA A 65 -8.322 0.722 -9.377 1.00 0.84 N ATOM 983 CA ALA A 65 -9.237 -0.375 -9.682 1.00 0.84 C ATOM 984 C ALA A 65 -10.373 -0.479 -8.666 1.00 0.75 C ATOM 985 O ALA A 65 -11.515 -0.752 -9.036 1.00 0.82 O ATOM 986 CB ALA A 65 -8.476 -1.689 -9.760 1.00 0.83 C ATOM 0 H ALA A 65 -7.636 0.516 -8.650 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.688 -0.161 -10.651 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.170 -2.498 -9.988 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.721 -1.626 -10.544 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.991 -1.886 -8.804 1.00 0.83 H new ATOM 992 N ASP A 66 -10.059 -0.256 -7.392 1.00 0.65 N ATOM 993 CA ASP A 66 -11.063 -0.334 -6.332 1.00 0.65 C ATOM 994 C ASP A 66 -11.769 -1.688 -6.350 1.00 0.66 C ATOM 995 O ASP A 66 -12.747 -1.880 -7.074 1.00 1.01 O ATOM 996 CB ASP A 66 -12.085 0.795 -6.480 1.00 0.75 C ATOM 997 CG ASP A 66 -13.133 0.775 -5.383 1.00 1.05 C ATOM 998 OD1 ASP A 66 -12.853 1.297 -4.285 1.00 1.08 O ATOM 999 OD2 ASP A 66 -14.236 0.240 -5.626 1.00 1.53 O ATOM 0 H ASP A 66 -9.121 -0.021 -7.069 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.554 -0.224 -5.375 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.567 1.754 -6.466 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.576 0.712 -7.449 1.00 0.75 H new ATOM 1004 N MET A 67 -11.268 -2.624 -5.548 1.00 0.55 N ATOM 1005 CA MET A 67 -11.845 -3.962 -5.480 1.00 0.55 C ATOM 1006 C MET A 67 -12.813 -4.091 -4.307 1.00 0.65 C ATOM 1007 O MET A 67 -13.186 -3.097 -3.683 1.00 0.81 O ATOM 1008 CB MET A 67 -10.737 -5.008 -5.359 1.00 0.49 C ATOM 1009 CG MET A 67 -9.746 -4.994 -6.514 1.00 0.49 C ATOM 1010 SD MET A 67 -10.360 -5.848 -7.980 1.00 1.00 S ATOM 1011 CE MET A 67 -11.313 -4.552 -8.768 1.00 1.52 C ATOM 0 H MET A 67 -10.464 -2.480 -4.937 1.00 0.55 H new ATOM 0 HA MET A 67 -12.404 -4.133 -6.400 1.00 0.55 H new ATOM 0 HB2 MET A 67 -10.196 -4.844 -4.427 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.190 -5.997 -5.294 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.513 -3.961 -6.773 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.815 -5.460 -6.192 1.00 0.49 H new ATOM 0 HE1 MET A 67 -11.105 -4.547 -9.838 1.00 1.52 H new ATOM 0 HE2 MET A 67 -12.376 -4.732 -8.606 1.00 1.52 H new ATOM 0 HE3 MET A 67 -11.039 -3.588 -8.340 1.00 1.52 H new ATOM 1021 N ASP A 68 -13.217 -5.326 -4.014 1.00 0.64 N ATOM 1022 CA ASP A 68 -14.147 -5.593 -2.921 1.00 0.77 C ATOM 1023 C ASP A 68 -13.412 -6.065 -1.666 1.00 0.67 C ATOM 1024 O ASP A 68 -13.014 -5.254 -0.830 1.00 1.22 O ATOM 1025 CB ASP A 68 -15.180 -6.637 -3.348 1.00 1.02 C ATOM 1026 CG ASP A 68 -15.956 -6.214 -4.579 1.00 1.55 C ATOM 1027 OD1 ASP A 68 -17.004 -5.551 -4.422 1.00 1.91 O ATOM 1028 OD2 ASP A 68 -15.518 -6.545 -5.701 1.00 1.92 O ATOM 0 H ASP A 68 -12.914 -6.158 -4.520 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.658 -4.660 -2.682 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.676 -7.583 -3.547 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.875 -6.813 -2.527 1.00 1.02 H new ATOM 1033 N PHE A 69 -13.233 -7.379 -1.540 1.00 0.74 N ATOM 1034 CA PHE A 69 -12.553 -7.947 -0.382 1.00 0.83 C ATOM 1035 C PHE A 69 -11.907 -9.288 -0.716 1.00 0.99 C ATOM 1036 O PHE A 69 -10.818 -9.598 -0.234 1.00 1.85 O ATOM 1037 CB PHE A 69 -13.538 -8.119 0.776 1.00 1.00 C ATOM 1038 CG PHE A 69 -14.783 -8.874 0.406 1.00 1.45 C ATOM 1039 CD1 PHE A 69 -14.834 -10.252 0.532 1.00 1.82 C ATOM 1040 CD2 PHE A 69 -15.902 -8.206 -0.068 1.00 2.08 C ATOM 1041 CE1 PHE A 69 -15.977 -10.951 0.193 1.00 2.52 C ATOM 1042 CE2 PHE A 69 -17.048 -8.899 -0.408 1.00 2.91 C ATOM 1043 CZ PHE A 69 -17.090 -10.268 -0.278 1.00 3.05 C ATOM 0 H PHE A 69 -13.549 -8.066 -2.224 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.764 -7.255 -0.087 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.037 -8.640 1.592 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.819 -7.135 1.151 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -13.971 -10.787 0.899 1.00 1.82 H new ATOM 0 HD2 PHE A 69 -15.877 -7.131 -0.173 1.00 2.08 H new ATOM 0 HE1 PHE A 69 -16.004 -12.026 0.294 1.00 2.52 H new ATOM 0 HE2 PHE A 69 -17.912 -8.365 -0.776 1.00 2.91 H new ATOM 0 HZ PHE A 69 -17.986 -10.810 -0.542 1.00 3.05 H new ATOM 1053 N ASN A 70 -12.582 -10.081 -1.540 1.00 0.86 N ATOM 1054 CA ASN A 70 -12.071 -11.390 -1.929 1.00 0.89 C ATOM 1055 C ASN A 70 -11.050 -11.263 -3.057 1.00 0.83 C ATOM 1056 O ASN A 70 -10.226 -12.152 -3.267 1.00 1.09 O ATOM 1057 CB ASN A 70 -13.224 -12.298 -2.362 1.00 1.03 C ATOM 1058 CG ASN A 70 -12.847 -13.769 -2.354 1.00 1.77 C ATOM 1059 OD1 ASN A 70 -11.689 -14.129 -2.557 1.00 2.50 O ATOM 1060 ND2 ASN A 70 -13.832 -14.629 -2.119 1.00 2.40 N ATOM 0 H ASN A 70 -13.484 -9.841 -1.951 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.574 -11.833 -1.066 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.074 -12.141 -1.697 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.547 -12.015 -3.364 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.641 -15.631 -2.102 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -14.779 -14.287 -1.955 1.00 2.40 H new ATOM 1067 N GLN A 71 -11.109 -10.146 -3.775 1.00 0.69 N ATOM 1068 CA GLN A 71 -10.194 -9.901 -4.884 1.00 0.68 C ATOM 1069 C GLN A 71 -8.757 -9.758 -4.390 1.00 0.58 C ATOM 1070 O GLN A 71 -7.888 -10.555 -4.746 1.00 0.72 O ATOM 1071 CB GLN A 71 -10.607 -8.641 -5.643 1.00 0.74 C ATOM 1072 CG GLN A 71 -12.026 -8.687 -6.189 1.00 0.88 C ATOM 1073 CD GLN A 71 -12.175 -9.629 -7.370 1.00 1.32 C ATOM 1074 OE1 GLN A 71 -11.472 -10.634 -7.474 1.00 1.79 O ATOM 1075 NE2 GLN A 71 -13.095 -9.302 -8.272 1.00 1.90 N ATOM 0 H GLN A 71 -11.781 -9.396 -3.609 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.244 -10.758 -5.555 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.511 -7.781 -4.980 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -9.915 -8.484 -6.470 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.705 -8.998 -5.395 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.326 -7.684 -6.491 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -13.656 -8.459 -8.146 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -13.240 -9.894 -9.090 1.00 1.90 H new ATOM 1084 N LEU A 72 -8.513 -8.739 -3.571 1.00 0.45 N ATOM 1085 CA LEU A 72 -7.176 -8.493 -3.039 1.00 0.39 C ATOM 1086 C LEU A 72 -6.726 -9.631 -2.127 1.00 0.41 C ATOM 1087 O LEU A 72 -5.536 -9.937 -2.046 1.00 0.41 O ATOM 1088 CB LEU A 72 -7.134 -7.173 -2.264 1.00 0.40 C ATOM 1089 CG LEU A 72 -7.702 -5.953 -2.982 1.00 0.52 C ATOM 1090 CD1 LEU A 72 -7.521 -4.720 -2.113 1.00 1.10 C ATOM 1091 CD2 LEU A 72 -7.033 -5.760 -4.334 1.00 1.06 C ATOM 0 H LEU A 72 -9.221 -8.072 -3.262 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.495 -8.433 -3.888 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.680 -7.306 -1.330 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.097 -6.963 -2.000 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.766 -6.111 -3.158 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.927 -3.849 -2.628 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.046 -4.861 -1.168 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.460 -4.564 -1.919 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.455 -4.884 -4.827 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.962 -5.616 -4.193 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.202 -6.641 -4.953 1.00 1.06 H new ATOM 1103 N GLU A 73 -7.684 -10.251 -1.444 1.00 0.49 N ATOM 1104 CA GLU A 73 -7.394 -11.350 -0.525 1.00 0.57 C ATOM 1105 C GLU A 73 -6.442 -12.365 -1.149 1.00 0.59 C ATOM 1106 O GLU A 73 -5.424 -12.722 -0.556 1.00 0.68 O ATOM 1107 CB GLU A 73 -8.692 -12.047 -0.109 1.00 0.67 C ATOM 1108 CG GLU A 73 -8.485 -13.177 0.887 1.00 0.75 C ATOM 1109 CD GLU A 73 -9.775 -13.899 1.227 1.00 1.45 C ATOM 1110 OE1 GLU A 73 -10.497 -13.430 2.130 1.00 1.76 O ATOM 1111 OE2 GLU A 73 -10.061 -14.934 0.588 1.00 2.25 O ATOM 0 H GLU A 73 -8.673 -10.010 -1.510 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.909 -10.926 0.355 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.367 -11.310 0.326 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.183 -12.443 -0.998 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.771 -13.891 0.477 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -8.046 -12.775 1.800 1.00 0.75 H new ATOM 1118 N ALA A 74 -6.777 -12.825 -2.349 1.00 0.62 N ATOM 1119 CA ALA A 74 -5.954 -13.805 -3.050 1.00 0.70 C ATOM 1120 C ALA A 74 -4.788 -13.139 -3.771 1.00 0.57 C ATOM 1121 O ALA A 74 -3.816 -13.802 -4.140 1.00 0.60 O ATOM 1122 CB ALA A 74 -6.804 -14.593 -4.035 1.00 0.89 C ATOM 0 H ALA A 74 -7.613 -12.535 -2.857 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.540 -14.489 -2.309 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.180 -15.321 -4.553 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.597 -15.112 -3.497 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.245 -13.911 -4.762 1.00 0.89 H new ATOM 1128 N PHE A 75 -4.886 -11.830 -3.972 1.00 0.49 N ATOM 1129 CA PHE A 75 -3.838 -11.078 -4.657 1.00 0.46 C ATOM 1130 C PHE A 75 -2.566 -11.001 -3.819 1.00 0.38 C ATOM 1131 O PHE A 75 -1.461 -11.132 -4.346 1.00 0.47 O ATOM 1132 CB PHE A 75 -4.327 -9.670 -4.995 1.00 0.55 C ATOM 1133 CG PHE A 75 -3.302 -8.831 -5.704 1.00 0.63 C ATOM 1134 CD1 PHE A 75 -3.152 -8.912 -7.078 1.00 0.76 C ATOM 1135 CD2 PHE A 75 -2.489 -7.962 -4.994 1.00 0.67 C ATOM 1136 CE1 PHE A 75 -2.209 -8.141 -7.732 1.00 0.88 C ATOM 1137 CE2 PHE A 75 -1.546 -7.189 -5.643 1.00 0.82 C ATOM 1138 CZ PHE A 75 -1.407 -7.280 -7.018 1.00 0.91 C ATOM 0 H PHE A 75 -5.681 -11.266 -3.671 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.602 -11.607 -5.580 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.218 -9.744 -5.618 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.623 -9.166 -4.075 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.778 -9.585 -7.645 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.594 -7.888 -3.922 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -2.102 -8.214 -8.804 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.918 -6.515 -5.079 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.671 -6.677 -7.529 1.00 0.91 H new ATOM 1148 N LEU A 76 -2.724 -10.783 -2.520 1.00 0.33 N ATOM 1149 CA LEU A 76 -1.576 -10.685 -1.626 1.00 0.36 C ATOM 1150 C LEU A 76 -0.805 -12.000 -1.595 1.00 0.40 C ATOM 1151 O LEU A 76 0.426 -12.006 -1.552 1.00 0.60 O ATOM 1152 CB LEU A 76 -2.029 -10.300 -0.216 1.00 0.43 C ATOM 1153 CG LEU A 76 -1.042 -9.437 0.580 1.00 0.55 C ATOM 1154 CD1 LEU A 76 0.257 -10.184 0.826 1.00 0.82 C ATOM 1155 CD2 LEU A 76 -0.770 -8.128 -0.146 1.00 0.80 C ATOM 0 H LEU A 76 -3.629 -10.671 -2.063 1.00 0.33 H new ATOM 0 HA LEU A 76 -0.913 -9.907 -2.003 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -2.975 -9.764 -0.290 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.223 -11.213 0.347 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.494 -9.212 1.546 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.940 -9.550 1.392 1.00 0.82 H new ATOM 0 HD12 LEU A 76 0.052 -11.093 1.392 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.713 -10.446 -0.129 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.068 -7.529 0.434 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.344 -8.338 -1.127 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.703 -7.578 -0.266 1.00 0.80 H new ATOM 1167 N THR A 77 -1.534 -13.111 -1.619 1.00 0.41 N ATOM 1168 CA THR A 77 -0.912 -14.427 -1.606 1.00 0.49 C ATOM 1169 C THR A 77 0.047 -14.570 -2.782 1.00 0.47 C ATOM 1170 O THR A 77 1.011 -15.332 -2.724 1.00 0.53 O ATOM 1171 CB THR A 77 -1.967 -15.549 -1.673 1.00 0.63 C ATOM 1172 OG1 THR A 77 -2.911 -15.397 -0.607 1.00 0.73 O ATOM 1173 CG2 THR A 77 -1.313 -16.921 -1.583 1.00 0.71 C ATOM 0 H THR A 77 -2.554 -13.125 -1.647 1.00 0.41 H new ATOM 0 HA THR A 77 -0.363 -14.521 -0.669 1.00 0.49 H new ATOM 0 HB THR A 77 -2.481 -15.473 -2.631 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.579 -16.112 -0.657 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.080 -17.694 -1.633 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.617 -17.047 -2.412 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.773 -17.006 -0.640 1.00 0.71 H new ATOM 1181 N ALA A 78 -0.229 -13.822 -3.846 1.00 0.45 N ATOM 1182 CA ALA A 78 0.598 -13.850 -5.044 1.00 0.52 C ATOM 1183 C ALA A 78 1.917 -13.122 -4.818 1.00 0.53 C ATOM 1184 O ALA A 78 2.929 -13.442 -5.442 1.00 0.67 O ATOM 1185 CB ALA A 78 -0.157 -13.233 -6.213 1.00 0.60 C ATOM 0 H ALA A 78 -1.024 -13.186 -3.901 1.00 0.45 H new ATOM 0 HA ALA A 78 0.826 -14.890 -5.278 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.469 -13.258 -7.105 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.071 -13.799 -6.395 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.411 -12.200 -5.977 1.00 0.60 H new ATOM 1191 N GLN A 79 1.900 -12.144 -3.920 1.00 0.47 N ATOM 1192 CA GLN A 79 3.095 -11.371 -3.609 1.00 0.53 C ATOM 1193 C GLN A 79 4.044 -12.173 -2.730 1.00 0.54 C ATOM 1194 O GLN A 79 5.203 -11.802 -2.549 1.00 1.06 O ATOM 1195 CB GLN A 79 2.717 -10.067 -2.907 1.00 0.56 C ATOM 1196 CG GLN A 79 1.542 -9.351 -3.550 1.00 0.96 C ATOM 1197 CD GLN A 79 1.416 -7.908 -3.106 1.00 1.23 C ATOM 1198 OE1 GLN A 79 0.948 -7.058 -3.860 1.00 2.20 O ATOM 1199 NE2 GLN A 79 1.832 -7.625 -1.877 1.00 0.61 N ATOM 0 H GLN A 79 1.071 -11.868 -3.394 1.00 0.47 H new ATOM 0 HA GLN A 79 3.601 -11.138 -4.546 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.476 -10.281 -1.866 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.580 -9.402 -2.904 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.652 -9.384 -4.634 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.622 -9.882 -3.307 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.214 -8.363 -1.285 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.770 -6.670 -1.525 1.00 0.61 H new ATOM 1208 N THR A 80 3.544 -13.276 -2.188 1.00 0.63 N ATOM 1209 CA THR A 80 4.344 -14.132 -1.323 1.00 0.65 C ATOM 1210 C THR A 80 4.729 -15.427 -2.032 1.00 0.64 C ATOM 1211 O THR A 80 5.484 -16.237 -1.493 1.00 0.73 O ATOM 1212 CB THR A 80 3.588 -14.475 -0.025 1.00 0.77 C ATOM 1213 OG1 THR A 80 2.401 -15.217 -0.332 1.00 1.31 O ATOM 1214 CG2 THR A 80 3.214 -13.211 0.736 1.00 0.44 C ATOM 0 H THR A 80 2.587 -13.599 -2.333 1.00 0.63 H new ATOM 0 HA THR A 80 5.248 -13.577 -1.075 1.00 0.65 H new ATOM 0 HB THR A 80 4.245 -15.078 0.602 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.199 -15.131 -1.287 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.681 -13.480 1.648 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.119 -12.660 0.993 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.574 -12.587 0.113 1.00 0.44 H new ATOM 1222 N LYS A 81 4.205 -15.618 -3.242 1.00 0.68 N ATOM 1223 CA LYS A 81 4.495 -16.820 -4.018 1.00 0.71 C ATOM 1224 C LYS A 81 5.107 -16.467 -5.372 1.00 0.69 C ATOM 1225 O LYS A 81 5.270 -17.333 -6.233 1.00 0.81 O ATOM 1226 CB LYS A 81 3.221 -17.648 -4.219 1.00 0.76 C ATOM 1227 CG LYS A 81 2.161 -16.957 -5.055 1.00 1.54 C ATOM 1228 CD LYS A 81 0.897 -17.798 -5.150 1.00 1.55 C ATOM 1229 CE LYS A 81 -0.139 -17.156 -6.059 1.00 2.12 C ATOM 1230 NZ LYS A 81 0.382 -16.949 -7.439 1.00 3.02 N ATOM 0 H LYS A 81 3.580 -14.958 -3.704 1.00 0.68 H new ATOM 0 HA LYS A 81 5.219 -17.412 -3.458 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.485 -18.593 -4.694 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.799 -17.889 -3.243 1.00 0.76 H new ATOM 0 HG2 LYS A 81 1.923 -15.988 -4.616 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.550 -16.767 -6.055 1.00 1.54 H new ATOM 0 HD2 LYS A 81 1.147 -18.790 -5.527 1.00 1.55 H new ATOM 0 HD3 LYS A 81 0.474 -17.933 -4.155 1.00 1.55 H new ATOM 0 HE2 LYS A 81 -1.028 -17.786 -6.098 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.445 -16.198 -5.640 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.412 -16.769 -8.086 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.027 -16.133 -7.448 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 0.895 -17.799 -7.748 1.00 3.02 H new ATOM 1244 N LYS A 82 5.447 -15.194 -5.553 1.00 0.66 N ATOM 1245 CA LYS A 82 6.045 -14.733 -6.801 1.00 0.74 C ATOM 1246 C LYS A 82 7.566 -14.787 -6.728 1.00 0.78 C ATOM 1247 O LYS A 82 8.134 -15.330 -5.779 1.00 0.83 O ATOM 1248 CB LYS A 82 5.600 -13.302 -7.113 1.00 0.72 C ATOM 1249 CG LYS A 82 6.043 -12.288 -6.074 1.00 0.67 C ATOM 1250 CD LYS A 82 6.008 -10.871 -6.624 1.00 0.77 C ATOM 1251 CE LYS A 82 4.585 -10.381 -6.834 1.00 0.76 C ATOM 1252 NZ LYS A 82 4.544 -9.113 -7.613 1.00 1.09 N ATOM 0 H LYS A 82 5.319 -14.464 -4.852 1.00 0.66 H new ATOM 0 HA LYS A 82 5.707 -15.397 -7.597 1.00 0.74 H new ATOM 0 HB2 LYS A 82 5.997 -13.011 -8.085 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.513 -13.277 -7.192 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.396 -12.356 -5.200 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.054 -12.525 -5.741 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.525 -10.202 -5.936 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.548 -10.835 -7.570 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.011 -11.146 -7.356 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.107 -10.228 -5.866 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.556 -8.812 -7.735 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.070 -8.375 -7.103 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 4.977 -9.265 -8.546 1.00 1.09 H new ATOM 1266 N GLN A 83 8.221 -14.220 -7.736 1.00 0.87 N ATOM 1267 CA GLN A 83 9.678 -14.191 -7.780 1.00 0.96 C ATOM 1268 C GLN A 83 10.210 -13.184 -6.765 1.00 0.80 C ATOM 1269 O GLN A 83 10.333 -11.996 -7.059 1.00 0.80 O ATOM 1270 CB GLN A 83 10.160 -13.832 -9.187 1.00 1.22 C ATOM 1271 CG GLN A 83 9.540 -14.696 -10.276 1.00 1.37 C ATOM 1272 CD GLN A 83 9.857 -16.170 -10.105 1.00 1.96 C ATOM 1273 OE1 GLN A 83 9.122 -16.902 -9.444 1.00 2.49 O ATOM 1274 NE2 GLN A 83 10.957 -16.612 -10.704 1.00 2.57 N ATOM 0 H GLN A 83 7.766 -13.775 -8.533 1.00 0.87 H new ATOM 0 HA GLN A 83 10.058 -15.181 -7.526 1.00 0.96 H new ATOM 0 HB2 GLN A 83 9.928 -12.786 -9.387 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.245 -13.931 -9.228 1.00 1.22 H new ATOM 0 HG2 GLN A 83 8.459 -14.558 -10.272 1.00 1.37 H new ATOM 0 HG3 GLN A 83 9.900 -14.361 -11.249 1.00 1.37 H new ATOM 0 HE21 GLN A 83 11.538 -15.969 -11.243 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.221 -17.594 -10.625 1.00 2.57 H new ATOM 1283 N GLY A 84 10.517 -13.671 -5.567 1.00 0.98 N ATOM 1284 CA GLY A 84 11.009 -12.801 -4.516 1.00 1.14 C ATOM 1285 C GLY A 84 9.875 -12.219 -3.697 1.00 1.22 C ATOM 1286 O GLY A 84 9.709 -12.556 -2.524 1.00 2.05 O ATOM 0 H GLY A 84 10.434 -14.653 -5.306 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.680 -13.361 -3.864 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.593 -11.993 -4.956 1.00 1.14 H new ATOM 1290 N GLY A 85 9.091 -11.343 -4.323 1.00 0.69 N ATOM 1291 CA GLY A 85 7.964 -10.728 -3.651 1.00 0.69 C ATOM 1292 C GLY A 85 8.333 -10.125 -2.313 1.00 0.66 C ATOM 1293 O GLY A 85 9.449 -9.639 -2.128 1.00 0.91 O ATOM 0 H GLY A 85 9.220 -11.048 -5.291 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.546 -9.951 -4.291 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.183 -11.475 -3.504 1.00 0.69 H new ATOM 1297 N ILE A 86 7.391 -10.159 -1.379 1.00 0.49 N ATOM 1298 CA ILE A 86 7.611 -9.611 -0.049 1.00 0.48 C ATOM 1299 C ILE A 86 7.768 -10.721 0.988 1.00 0.50 C ATOM 1300 O ILE A 86 7.603 -11.901 0.679 1.00 0.53 O ATOM 1301 CB ILE A 86 6.448 -8.694 0.358 1.00 0.45 C ATOM 1302 CG1 ILE A 86 5.150 -9.501 0.454 1.00 0.43 C ATOM 1303 CG2 ILE A 86 6.306 -7.561 -0.650 1.00 0.50 C ATOM 1304 CD1 ILE A 86 3.961 -8.691 0.922 1.00 0.45 C ATOM 0 H ILE A 86 6.465 -10.562 -1.520 1.00 0.49 H new ATOM 0 HA ILE A 86 8.533 -9.031 -0.083 1.00 0.48 H new ATOM 0 HB ILE A 86 6.656 -8.263 1.337 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.925 -9.928 -0.524 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.302 -10.335 1.139 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.480 -6.914 -0.356 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.229 -6.981 -0.678 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.108 -7.976 -1.638 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.079 -9.330 0.965 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.164 -8.286 1.913 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.782 -7.872 0.225 1.00 0.45 H new ATOM 1316 N THR A 87 8.088 -10.331 2.218 1.00 0.52 N ATOM 1317 CA THR A 87 8.270 -11.290 3.302 1.00 0.57 C ATOM 1318 C THR A 87 6.951 -11.581 4.011 1.00 0.51 C ATOM 1319 O THR A 87 5.890 -11.127 3.581 1.00 0.48 O ATOM 1320 CB THR A 87 9.290 -10.780 4.337 1.00 0.64 C ATOM 1321 OG1 THR A 87 8.783 -9.608 4.987 1.00 1.18 O ATOM 1322 CG2 THR A 87 10.622 -10.460 3.675 1.00 1.27 C ATOM 0 H THR A 87 8.227 -9.357 2.489 1.00 0.52 H new ATOM 0 HA THR A 87 8.646 -12.207 2.849 1.00 0.57 H new ATOM 0 HB THR A 87 9.449 -11.567 5.075 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.436 -9.290 5.645 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.325 -10.102 4.427 1.00 1.27 H new ATOM 0 HG22 THR A 87 11.020 -11.359 3.205 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.476 -9.689 2.918 1.00 1.27 H new ATOM 1330 N SER A 88 7.028 -12.340 5.100 1.00 0.56 N ATOM 1331 CA SER A 88 5.845 -12.695 5.876 1.00 0.53 C ATOM 1332 C SER A 88 5.324 -11.493 6.656 1.00 0.48 C ATOM 1333 O SER A 88 4.139 -11.165 6.591 1.00 0.48 O ATOM 1334 CB SER A 88 6.169 -13.836 6.839 1.00 0.62 C ATOM 1335 OG SER A 88 7.276 -13.510 7.662 1.00 1.53 O ATOM 0 H SER A 88 7.900 -12.722 5.466 1.00 0.56 H new ATOM 0 HA SER A 88 5.070 -13.019 5.182 1.00 0.53 H new ATOM 0 HB2 SER A 88 5.300 -14.049 7.461 1.00 0.62 H new ATOM 0 HB3 SER A 88 6.386 -14.742 6.274 1.00 0.62 H new ATOM 0 HG SER A 88 7.462 -14.255 8.270 1.00 1.53 H new ATOM 1341 N ASP A 89 6.218 -10.846 7.396 1.00 0.51 N ATOM 1342 CA ASP A 89 5.858 -9.678 8.193 1.00 0.51 C ATOM 1343 C ASP A 89 5.157 -8.623 7.340 1.00 0.44 C ATOM 1344 O ASP A 89 4.328 -7.862 7.836 1.00 0.45 O ATOM 1345 CB ASP A 89 7.105 -9.077 8.847 1.00 0.59 C ATOM 1346 CG ASP A 89 6.793 -7.826 9.644 1.00 1.48 C ATOM 1347 OD1 ASP A 89 6.490 -7.951 10.850 1.00 1.85 O ATOM 1348 OD2 ASP A 89 6.853 -6.722 9.064 1.00 2.34 O ATOM 0 H ASP A 89 7.201 -11.112 7.461 1.00 0.51 H new ATOM 0 HA ASP A 89 5.167 -10.003 8.971 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.561 -9.818 9.503 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.838 -8.840 8.076 1.00 0.59 H new ATOM 1353 N GLN A 90 5.498 -8.586 6.055 1.00 0.44 N ATOM 1354 CA GLN A 90 4.900 -7.625 5.133 1.00 0.42 C ATOM 1355 C GLN A 90 3.477 -8.028 4.765 1.00 0.39 C ATOM 1356 O GLN A 90 2.542 -7.240 4.906 1.00 0.52 O ATOM 1357 CB GLN A 90 5.742 -7.509 3.860 1.00 0.49 C ATOM 1358 CG GLN A 90 7.026 -6.717 4.041 1.00 0.59 C ATOM 1359 CD GLN A 90 7.530 -6.127 2.737 1.00 0.75 C ATOM 1360 OE1 GLN A 90 6.745 -5.804 1.847 1.00 1.63 O ATOM 1361 NE2 GLN A 90 8.843 -5.984 2.616 1.00 0.91 N ATOM 0 H GLN A 90 6.184 -9.209 5.629 1.00 0.44 H new ATOM 0 HA GLN A 90 4.870 -6.659 5.637 1.00 0.42 H new ATOM 0 HB2 GLN A 90 5.991 -8.510 3.508 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.143 -7.037 3.081 1.00 0.49 H new ATOM 0 HG2 GLN A 90 6.856 -5.914 4.758 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.793 -7.366 4.464 1.00 0.59 H new ATOM 0 HE21 GLN A 90 9.459 -6.265 3.379 1.00 0.91 H new ATOM 0 HE22 GLN A 90 9.237 -5.593 1.760 1.00 0.91 H new ATOM 1370 N ALA A 91 3.324 -9.260 4.292 1.00 0.37 N ATOM 1371 CA ALA A 91 2.021 -9.777 3.890 1.00 0.37 C ATOM 1372 C ALA A 91 0.991 -9.646 5.007 1.00 0.34 C ATOM 1373 O ALA A 91 -0.213 -9.680 4.759 1.00 0.40 O ATOM 1374 CB ALA A 91 2.149 -11.232 3.468 1.00 0.45 C ATOM 0 H ALA A 91 4.091 -9.922 4.177 1.00 0.37 H new ATOM 0 HA ALA A 91 1.672 -9.181 3.047 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.172 -11.611 3.169 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.840 -11.308 2.629 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.527 -11.821 4.303 1.00 0.45 H new ATOM 1380 N ALA A 92 1.469 -9.492 6.234 1.00 0.31 N ATOM 1381 CA ALA A 92 0.589 -9.374 7.390 1.00 0.33 C ATOM 1382 C ALA A 92 -0.143 -8.035 7.428 1.00 0.28 C ATOM 1383 O ALA A 92 -1.328 -7.985 7.750 1.00 0.34 O ATOM 1384 CB ALA A 92 1.381 -9.577 8.671 1.00 0.40 C ATOM 0 H ALA A 92 2.464 -9.446 6.456 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.169 -10.152 7.302 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.715 -9.487 9.529 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.834 -10.569 8.666 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.164 -8.821 8.739 1.00 0.40 H new ATOM 1390 N VAL A 93 0.558 -6.951 7.102 1.00 0.26 N ATOM 1391 CA VAL A 93 -0.047 -5.621 7.139 1.00 0.30 C ATOM 1392 C VAL A 93 -0.759 -5.258 5.832 1.00 0.28 C ATOM 1393 O VAL A 93 -1.745 -4.519 5.847 1.00 0.35 O ATOM 1394 CB VAL A 93 1.000 -4.534 7.479 1.00 0.41 C ATOM 1395 CG1 VAL A 93 1.470 -3.789 6.232 1.00 0.43 C ATOM 1396 CG2 VAL A 93 0.434 -3.568 8.505 1.00 0.55 C ATOM 0 H VAL A 93 1.536 -6.966 6.812 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.797 -5.657 7.929 1.00 0.30 H new ATOM 0 HB VAL A 93 1.873 -5.030 7.904 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.204 -3.035 6.514 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.924 -4.495 5.536 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.618 -3.305 5.754 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.179 -2.807 8.738 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.459 -3.091 8.102 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.176 -4.112 9.413 1.00 0.55 H new ATOM 1406 N ILE A 94 -0.266 -5.770 4.711 1.00 0.24 N ATOM 1407 CA ILE A 94 -0.859 -5.457 3.412 1.00 0.25 C ATOM 1408 C ILE A 94 -2.135 -6.252 3.152 1.00 0.25 C ATOM 1409 O ILE A 94 -3.112 -5.698 2.667 1.00 0.28 O ATOM 1410 CB ILE A 94 0.134 -5.708 2.263 1.00 0.30 C ATOM 1411 CG1 ILE A 94 1.518 -5.171 2.626 1.00 0.40 C ATOM 1412 CG2 ILE A 94 -0.369 -5.052 0.983 1.00 0.31 C ATOM 1413 CD1 ILE A 94 2.594 -5.583 1.650 1.00 0.52 C ATOM 0 H ILE A 94 0.536 -6.399 4.672 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.112 -4.397 3.445 1.00 0.25 H new ATOM 0 HB ILE A 94 0.213 -6.783 2.099 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.477 -4.083 2.673 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.787 -5.523 3.622 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.341 -5.236 0.177 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.339 -5.472 0.716 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.470 -3.978 1.140 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.551 -5.168 1.967 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.662 -6.671 1.621 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.347 -5.208 0.657 1.00 0.52 H new ATOM 1425 N SER A 95 -2.124 -7.543 3.472 1.00 0.27 N ATOM 1426 CA SER A 95 -3.293 -8.404 3.260 1.00 0.34 C ATOM 1427 C SER A 95 -4.552 -7.821 3.905 1.00 0.39 C ATOM 1428 O SER A 95 -5.669 -8.245 3.606 1.00 0.47 O ATOM 1429 CB SER A 95 -3.030 -9.803 3.821 1.00 0.40 C ATOM 1430 OG SER A 95 -4.152 -10.648 3.632 1.00 0.49 O ATOM 0 H SER A 95 -1.320 -8.020 3.880 1.00 0.27 H new ATOM 0 HA SER A 95 -3.461 -8.466 2.185 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.158 -10.236 3.331 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.798 -9.734 4.884 1.00 0.40 H new ATOM 0 HG SER A 95 -4.953 -10.101 3.492 1.00 0.49 H new ATOM 1436 N LYS A 96 -4.361 -6.857 4.794 1.00 0.38 N ATOM 1437 CA LYS A 96 -5.470 -6.223 5.504 1.00 0.46 C ATOM 1438 C LYS A 96 -6.087 -5.078 4.698 1.00 0.45 C ATOM 1439 O LYS A 96 -7.011 -4.410 5.162 1.00 0.53 O ATOM 1440 CB LYS A 96 -4.983 -5.702 6.853 1.00 0.50 C ATOM 1441 CG LYS A 96 -3.814 -6.492 7.414 1.00 0.57 C ATOM 1442 CD LYS A 96 -3.983 -6.752 8.900 1.00 0.80 C ATOM 1443 CE LYS A 96 -5.086 -7.762 9.169 1.00 1.32 C ATOM 1444 NZ LYS A 96 -5.211 -8.074 10.620 1.00 2.12 N ATOM 0 H LYS A 96 -3.442 -6.492 5.044 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.244 -6.976 5.651 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.690 -4.658 6.747 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.808 -5.731 7.565 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -3.727 -7.441 6.885 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.887 -5.945 7.242 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -3.044 -7.119 9.315 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -4.213 -5.816 9.410 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -6.034 -7.372 8.799 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.881 -8.679 8.617 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -5.974 -8.766 10.762 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -4.315 -8.470 10.968 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -5.432 -7.204 11.145 1.00 2.12 H new ATOM 1458 N PHE A 97 -5.565 -4.857 3.500 1.00 0.39 N ATOM 1459 CA PHE A 97 -6.032 -3.776 2.632 1.00 0.40 C ATOM 1460 C PHE A 97 -7.551 -3.766 2.400 1.00 0.48 C ATOM 1461 O PHE A 97 -8.097 -2.730 2.019 1.00 0.56 O ATOM 1462 CB PHE A 97 -5.293 -3.792 1.279 1.00 0.37 C ATOM 1463 CG PHE A 97 -5.004 -5.160 0.693 1.00 0.37 C ATOM 1464 CD1 PHE A 97 -5.662 -6.302 1.127 1.00 0.43 C ATOM 1465 CD2 PHE A 97 -4.047 -5.290 -0.302 1.00 0.42 C ATOM 1466 CE1 PHE A 97 -5.367 -7.538 0.584 1.00 0.50 C ATOM 1467 CE2 PHE A 97 -3.751 -6.525 -0.848 1.00 0.50 C ATOM 1468 CZ PHE A 97 -4.412 -7.649 -0.403 1.00 0.53 C ATOM 0 H PHE A 97 -4.811 -5.416 3.101 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.797 -2.858 3.170 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.885 -3.228 0.558 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.347 -3.263 1.398 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.414 -6.224 1.898 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.525 -4.413 -0.656 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -5.886 -8.418 0.934 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.003 -6.609 -1.622 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.182 -8.615 -0.827 1.00 0.53 H new ATOM 1478 N TRP A 98 -8.244 -4.885 2.620 1.00 0.52 N ATOM 1479 CA TRP A 98 -9.696 -4.904 2.399 1.00 0.63 C ATOM 1480 C TRP A 98 -10.491 -5.107 3.686 1.00 0.69 C ATOM 1481 O TRP A 98 -11.719 -5.181 3.650 1.00 0.78 O ATOM 1482 CB TRP A 98 -10.091 -5.969 1.371 1.00 0.67 C ATOM 1483 CG TRP A 98 -9.628 -7.355 1.698 1.00 0.66 C ATOM 1484 CD1 TRP A 98 -8.565 -8.003 1.147 1.00 0.74 C ATOM 1485 CD2 TRP A 98 -10.220 -8.274 2.627 1.00 0.72 C ATOM 1486 NE1 TRP A 98 -8.446 -9.260 1.683 1.00 0.85 N ATOM 1487 CE2 TRP A 98 -9.448 -9.452 2.593 1.00 0.83 C ATOM 1488 CE3 TRP A 98 -11.318 -8.216 3.488 1.00 0.78 C ATOM 1489 CZ2 TRP A 98 -9.743 -10.558 3.380 1.00 0.97 C ATOM 1490 CZ3 TRP A 98 -11.610 -9.318 4.271 1.00 0.92 C ATOM 1491 CH2 TRP A 98 -10.823 -10.475 4.214 1.00 1.00 C ATOM 0 H TRP A 98 -7.842 -5.766 2.941 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.950 -3.918 2.009 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.177 -5.976 1.274 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.686 -5.685 0.400 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -7.910 -7.587 0.396 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.726 -9.941 1.442 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.928 -7.327 3.541 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.140 -11.453 3.335 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -12.459 -9.286 4.938 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -11.074 -11.318 4.841 1.00 1.00 H new ATOM 1502 N LYS A 99 -9.806 -5.191 4.820 1.00 0.75 N ATOM 1503 CA LYS A 99 -10.488 -5.377 6.101 1.00 0.91 C ATOM 1504 C LYS A 99 -11.319 -4.154 6.445 1.00 1.11 C ATOM 1505 O LYS A 99 -12.271 -4.231 7.221 1.00 1.33 O ATOM 1506 CB LYS A 99 -9.482 -5.649 7.215 1.00 0.90 C ATOM 1507 CG LYS A 99 -8.485 -6.739 6.873 1.00 0.87 C ATOM 1508 CD LYS A 99 -9.173 -7.997 6.422 1.00 1.38 C ATOM 1509 CE LYS A 99 -9.850 -8.672 7.592 1.00 1.51 C ATOM 1510 NZ LYS A 99 -9.482 -8.065 8.905 1.00 1.67 N ATOM 0 H LYS A 99 -8.789 -5.134 4.882 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.149 -6.239 6.008 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -8.941 -4.729 7.439 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -10.020 -5.930 8.120 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.816 -6.388 6.087 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.867 -6.954 7.745 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -9.909 -7.762 5.653 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -8.448 -8.675 5.972 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -10.931 -8.616 7.462 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -9.584 -9.729 7.599 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -9.791 -8.691 9.676 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -8.451 -7.940 8.953 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -9.948 -7.140 9.003 1.00 1.67 H new ATOM 1524 N SER A 100 -10.950 -3.024 5.862 1.00 1.14 N ATOM 1525 CA SER A 100 -11.676 -1.783 6.085 1.00 1.47 C ATOM 1526 C SER A 100 -13.064 -1.922 5.486 1.00 1.74 C ATOM 1527 O SER A 100 -13.972 -1.142 5.773 1.00 2.07 O ATOM 1528 CB SER A 100 -10.939 -0.603 5.449 1.00 1.57 C ATOM 1529 OG SER A 100 -11.652 0.607 5.639 1.00 2.19 O ATOM 0 H SER A 100 -10.153 -2.940 5.231 1.00 1.14 H new ATOM 0 HA SER A 100 -11.750 -1.591 7.155 1.00 1.47 H new ATOM 0 HB2 SER A 100 -9.944 -0.514 5.885 1.00 1.57 H new ATOM 0 HB3 SER A 100 -10.805 -0.786 4.383 1.00 1.57 H new ATOM 0 HG SER A 100 -11.159 1.346 5.225 1.00 2.19 H new ATOM 1535 N HIS A 101 -13.200 -2.939 4.645 1.00 1.68 N ATOM 1536 CA HIS A 101 -14.449 -3.236 3.967 1.00 2.03 C ATOM 1537 C HIS A 101 -14.628 -4.748 3.863 1.00 2.09 C ATOM 1538 O HIS A 101 -14.644 -5.308 2.767 1.00 2.46 O ATOM 1539 CB HIS A 101 -14.446 -2.606 2.574 1.00 2.13 C ATOM 1540 CG HIS A 101 -14.264 -1.120 2.585 1.00 2.57 C ATOM 1541 ND1 HIS A 101 -15.299 -0.236 2.810 1.00 3.26 N ATOM 1542 CD2 HIS A 101 -13.158 -0.361 2.398 1.00 3.02 C ATOM 1543 CE1 HIS A 101 -14.838 1.001 2.760 1.00 3.83 C ATOM 1544 NE2 HIS A 101 -13.542 0.952 2.513 1.00 3.65 N ATOM 0 H HIS A 101 -12.442 -3.582 4.415 1.00 1.68 H new ATOM 0 HA HIS A 101 -15.279 -2.819 4.538 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -13.648 -3.056 1.983 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -15.385 -2.844 2.075 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -12.160 -0.721 2.196 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -15.422 1.899 2.898 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -12.925 1.759 2.422 1.00 3.65 H new ATOM 1553 N LYS A 102 -14.760 -5.401 5.015 1.00 1.89 N ATOM 1554 CA LYS A 102 -14.910 -6.841 5.068 1.00 2.04 C ATOM 1555 C LYS A 102 -16.254 -7.289 4.532 1.00 2.27 C ATOM 1556 O LYS A 102 -16.968 -6.542 3.862 1.00 2.71 O ATOM 1557 CB LYS A 102 -14.740 -7.339 6.506 1.00 2.00 C ATOM 1558 CG LYS A 102 -13.317 -7.239 7.027 1.00 2.32 C ATOM 1559 CD LYS A 102 -13.193 -7.805 8.434 1.00 2.80 C ATOM 1560 CE LYS A 102 -13.417 -9.309 8.454 1.00 3.44 C ATOM 1561 NZ LYS A 102 -13.251 -9.878 9.820 1.00 4.27 N ATOM 0 H LYS A 102 -14.765 -4.945 5.928 1.00 1.89 H new ATOM 0 HA LYS A 102 -14.134 -7.271 4.435 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -15.397 -6.765 7.159 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -15.065 -8.378 6.561 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -12.646 -7.777 6.358 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -13.001 -6.196 7.025 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -12.204 -7.579 8.832 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -13.918 -7.320 9.087 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -14.419 -9.531 8.088 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -12.715 -9.790 7.773 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -13.412 -10.905 9.790 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -12.287 -9.688 10.160 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -13.938 -9.438 10.465 1.00 4.27 H new ATOM 1575 N THR A 103 -16.577 -8.529 4.845 1.00 2.56 N ATOM 1576 CA THR A 103 -17.828 -9.139 4.419 1.00 2.99 C ATOM 1577 C THR A 103 -19.016 -8.437 5.056 1.00 3.33 C ATOM 1578 O THR A 103 -19.986 -8.093 4.381 1.00 3.84 O ATOM 1579 CB THR A 103 -17.881 -10.633 4.789 1.00 3.28 C ATOM 1580 OG1 THR A 103 -17.700 -10.796 6.201 1.00 3.44 O ATOM 1581 CG2 THR A 103 -16.812 -11.415 4.043 1.00 3.09 C ATOM 0 H THR A 103 -15.982 -9.144 5.401 1.00 2.56 H new ATOM 0 HA THR A 103 -17.877 -9.038 3.335 1.00 2.99 H new ATOM 0 HB THR A 103 -18.859 -11.020 4.501 1.00 3.28 H new ATOM 0 HG1 THR A 103 -17.737 -11.749 6.428 1.00 3.44 H new ATOM 0 HG21 THR A 103 -16.870 -12.467 4.321 1.00 3.09 H new ATOM 0 HG22 THR A 103 -16.970 -11.314 2.969 1.00 3.09 H new ATOM 0 HG23 THR A 103 -15.828 -11.025 4.303 1.00 3.09 H new ATOM 1589 N LYS A 104 -18.929 -8.229 6.363 1.00 3.34 N ATOM 1590 CA LYS A 104 -19.992 -7.569 7.102 1.00 3.66 C ATOM 1591 C LYS A 104 -19.872 -6.055 6.977 1.00 3.59 C ATOM 1592 O LYS A 104 -20.762 -5.317 7.398 1.00 3.95 O ATOM 1593 CB LYS A 104 -19.948 -7.981 8.574 1.00 3.99 C ATOM 1594 CG LYS A 104 -19.847 -9.486 8.787 1.00 4.36 C ATOM 1595 CD LYS A 104 -21.027 -10.224 8.173 1.00 4.62 C ATOM 1596 CE LYS A 104 -20.985 -11.709 8.500 1.00 5.31 C ATOM 1597 NZ LYS A 104 -21.035 -11.956 9.968 1.00 5.72 N ATOM 0 H LYS A 104 -18.131 -8.509 6.933 1.00 3.34 H new ATOM 0 HA LYS A 104 -20.948 -7.877 6.678 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -19.096 -7.498 9.052 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -20.845 -7.612 9.072 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -18.920 -9.854 8.348 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -19.800 -9.700 9.855 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -21.958 -9.795 8.542 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -21.020 -10.088 7.092 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -21.825 -12.211 8.019 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -20.075 -12.146 8.089 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -21.292 -12.948 10.145 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -20.102 -11.761 10.385 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -21.745 -11.332 10.401 1.00 5.72 H new ATOM 1611 N ILE A 105 -18.766 -5.600 6.396 1.00 3.22 N ATOM 1612 CA ILE A 105 -18.538 -4.171 6.217 1.00 3.25 C ATOM 1613 C ILE A 105 -18.783 -3.753 4.769 1.00 3.33 C ATOM 1614 O ILE A 105 -19.877 -3.310 4.424 1.00 3.64 O ATOM 1615 CB ILE A 105 -17.113 -3.768 6.632 1.00 3.14 C ATOM 1616 CG1 ILE A 105 -16.825 -4.254 8.049 1.00 3.41 C ATOM 1617 CG2 ILE A 105 -16.956 -2.259 6.554 1.00 3.22 C ATOM 1618 CD1 ILE A 105 -15.375 -4.123 8.452 1.00 3.54 C ATOM 0 H ILE A 105 -18.018 -6.197 6.043 1.00 3.22 H new ATOM 0 HA ILE A 105 -19.247 -3.654 6.863 1.00 3.25 H new ATOM 0 HB ILE A 105 -16.401 -4.231 5.950 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -17.440 -3.689 8.750 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -17.124 -5.299 8.133 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -15.944 -1.983 6.850 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -17.139 -1.926 5.532 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -17.672 -1.784 7.224 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -15.246 -4.488 9.471 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -14.755 -4.710 7.775 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -15.076 -3.076 8.401 1.00 3.54 H new ATOM 1630 N ARG A 106 -17.753 -3.904 3.933 1.00 3.23 N ATOM 1631 CA ARG A 106 -17.830 -3.550 2.514 1.00 3.52 C ATOM 1632 C ARG A 106 -17.844 -2.036 2.305 1.00 3.99 C ATOM 1633 O ARG A 106 -17.261 -1.531 1.346 1.00 4.49 O ATOM 1634 CB ARG A 106 -19.062 -4.182 1.859 1.00 3.66 C ATOM 1635 CG ARG A 106 -19.111 -3.993 0.352 1.00 4.02 C ATOM 1636 CD ARG A 106 -20.298 -4.717 -0.261 1.00 4.54 C ATOM 1637 NE ARG A 106 -20.344 -4.561 -1.712 1.00 4.89 N ATOM 1638 CZ ARG A 106 -21.128 -5.283 -2.506 1.00 5.64 C ATOM 1639 NH1 ARG A 106 -21.926 -6.209 -1.991 1.00 6.13 N ATOM 1640 NH2 ARG A 106 -21.114 -5.080 -3.816 1.00 6.18 N ATOM 0 H ARG A 106 -16.846 -4.273 4.219 1.00 3.23 H new ATOM 0 HA ARG A 106 -16.933 -3.946 2.037 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -19.077 -5.248 2.084 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -19.960 -3.751 2.301 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -19.172 -2.930 0.119 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -18.188 -4.364 -0.093 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -20.244 -5.777 -0.012 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -21.221 -4.334 0.174 1.00 4.54 H new ATOM 0 HE ARG A 106 -19.741 -3.859 -2.140 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -21.939 -6.368 -0.984 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -22.527 -6.762 -2.602 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -20.501 -4.369 -4.215 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -21.716 -5.635 -4.424 1.00 6.18 H new ATOM 1654 N GLU A 107 -18.511 -1.313 3.203 1.00 4.18 N ATOM 1655 CA GLU A 107 -18.591 0.140 3.107 1.00 5.05 C ATOM 1656 C GLU A 107 -18.556 0.775 4.494 1.00 5.51 C ATOM 1657 O GLU A 107 -17.509 1.245 4.943 1.00 5.80 O ATOM 1658 CB GLU A 107 -19.870 0.558 2.373 1.00 5.50 C ATOM 1659 CG GLU A 107 -19.948 0.052 0.941 1.00 6.10 C ATOM 1660 CD GLU A 107 -21.198 0.524 0.225 1.00 6.86 C ATOM 1661 OE1 GLU A 107 -21.157 1.612 -0.388 1.00 7.31 O ATOM 1662 OE2 GLU A 107 -22.219 -0.195 0.276 1.00 7.22 O ATOM 0 H GLU A 107 -19.003 -1.711 4.003 1.00 4.18 H new ATOM 0 HA GLU A 107 -17.728 0.491 2.541 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -20.733 0.188 2.927 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -19.936 1.646 2.368 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -19.069 0.390 0.392 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -19.924 -1.038 0.942 1.00 6.10 H new ATOM 1669 N SER A 108 -19.704 0.778 5.167 1.00 5.97 N ATOM 1670 CA SER A 108 -19.814 1.351 6.506 1.00 6.78 C ATOM 1671 C SER A 108 -19.327 2.797 6.530 1.00 7.58 C ATOM 1672 O SER A 108 -20.151 3.702 6.278 1.00 8.07 O ATOM 1673 CB SER A 108 -19.022 0.512 7.510 1.00 7.25 C ATOM 1674 OG SER A 108 -19.570 -0.789 7.632 1.00 7.76 O ATOM 0 H SER A 108 -20.574 0.388 4.805 1.00 5.97 H new ATOM 0 HA SER A 108 -20.867 1.343 6.788 1.00 6.78 H new ATOM 0 HB2 SER A 108 -17.982 0.443 7.191 1.00 7.25 H new ATOM 0 HB3 SER A 108 -19.025 1.004 8.483 1.00 7.25 H new ATOM 0 HG SER A 108 -19.246 -1.204 8.459 1.00 7.76 H new TER 1680 SER A 108