USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 HIS : no HE2:sc= -6.92 K(o=-8.6,f=-9.5!) USER MOD Set 1.2: A 104 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= -1.61 (180deg=-1.68) USER MOD Single : A 61 SER OG : rot -111:sc= -0.222 USER MOD Single : A 64 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.45) USER MOD Single : A 65 THR OG1 : rot -75:sc= 0.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 167:sc= 0 (180deg=-0.207) USER MOD Single : A 73 GLN : amide:sc= -4.28! C(o=-4.3!,f=-7.5!) USER MOD Single : A 78 ASN : amide:sc= 0.215 K(o=0.22,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -52:sc= 0.633 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.1) USER MOD Single : A 97 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.16) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0.243 K(o=0.24,f=-6.5!) USER MOD Single : A 111 MET CE :methyl -172:sc= -1.19 (180deg=-1.39) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.664 -12.854 4.466 1.00 0.00 N ATOM 84 CA TYR A 9 -8.901 -13.582 3.231 1.00 0.00 C ATOM 85 C TYR A 9 -8.496 -15.051 3.374 1.00 0.00 C ATOM 86 O TYR A 9 -7.925 -15.445 4.391 1.00 0.00 O ATOM 87 CB TYR A 9 -8.014 -12.922 2.175 1.00 0.00 C ATOM 88 CG TYR A 9 -8.768 -11.985 1.227 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.999 -12.357 0.726 1.00 0.00 C ATOM 90 CD2 TYR A 9 -8.215 -10.772 0.872 1.00 0.00 C ATOM 91 CE1 TYR A 9 -10.708 -11.475 -0.165 1.00 0.00 C ATOM 92 CE2 TYR A 9 -8.924 -9.892 -0.020 1.00 0.00 C ATOM 93 CZ TYR A 9 -10.135 -10.287 -0.495 1.00 0.00 C ATOM 94 OH TYR A 9 -10.804 -9.454 -1.337 1.00 0.00 O ATOM 0 HA TYR A 9 -9.958 -13.554 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.227 -12.359 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.525 -13.700 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.430 -13.308 1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.251 -10.483 1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.674 -11.751 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.503 -8.939 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.275 -8.642 -1.483 1.00 0.00 H new ATOM 104 N ILE A 10 -8.806 -15.820 2.341 1.00 0.00 N ATOM 105 CA ILE A 10 -8.481 -17.237 2.338 1.00 0.00 C ATOM 106 C ILE A 10 -6.969 -17.409 2.490 1.00 0.00 C ATOM 107 O ILE A 10 -6.508 -18.345 3.142 1.00 0.00 O ATOM 108 CB ILE A 10 -9.056 -17.916 1.095 1.00 0.00 C ATOM 109 CG1 ILE A 10 -8.465 -17.313 -0.182 1.00 0.00 C ATOM 110 CG2 ILE A 10 -10.585 -17.865 1.098 1.00 0.00 C ATOM 111 CD1 ILE A 10 -8.905 -18.103 -1.417 1.00 0.00 C ATOM 0 H ILE A 10 -9.279 -15.489 1.500 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.946 -17.736 3.188 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.770 -18.967 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.782 -16.275 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.377 -17.309 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.967 -18.355 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.964 -18.377 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.914 -16.826 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.471 -17.653 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.565 -19.135 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.992 -18.084 -1.493 1.00 0.00 H new ATOM 123 N PHE A 11 -6.236 -16.491 1.877 1.00 0.00 N ATOM 124 CA PHE A 11 -4.785 -16.529 1.935 1.00 0.00 C ATOM 125 C PHE A 11 -4.261 -15.689 3.101 1.00 0.00 C ATOM 126 O PHE A 11 -4.976 -14.839 3.629 1.00 0.00 O ATOM 127 CB PHE A 11 -4.269 -15.935 0.622 1.00 0.00 C ATOM 128 CG PHE A 11 -4.891 -14.584 0.264 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.632 -13.491 1.030 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.702 -14.477 -0.822 1.00 0.00 C ATOM 131 CE1 PHE A 11 -5.208 -12.238 0.697 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.279 -13.223 -1.156 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.021 -12.130 -0.389 1.00 0.00 C ATOM 0 H PHE A 11 -6.621 -15.716 1.337 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.445 -17.555 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.187 -15.819 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.466 -16.640 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.987 -13.577 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.907 -15.345 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.001 -11.370 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.923 -13.137 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.461 -11.177 -0.642 1.00 0.00 H new ATOM 143 N PRO A 12 -2.983 -15.963 3.479 1.00 0.00 N ATOM 144 CA PRO A 12 -2.355 -15.243 4.573 1.00 0.00 C ATOM 145 C PRO A 12 -1.960 -13.829 4.143 1.00 0.00 C ATOM 146 O PRO A 12 -1.460 -13.629 3.038 1.00 0.00 O ATOM 147 CB PRO A 12 -1.163 -16.098 4.973 1.00 0.00 C ATOM 148 CG PRO A 12 -0.897 -17.020 3.794 1.00 0.00 C ATOM 149 CD PRO A 12 -2.107 -16.964 2.876 1.00 0.00 C ATOM 0 HA PRO A 12 -3.025 -15.096 5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.293 -15.478 5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.378 -16.670 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.001 -16.708 3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.726 -18.040 4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.822 -16.682 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.600 -17.934 2.811 1.00 0.00 H new ATOM 157 N HIS A 13 -2.200 -12.885 5.041 1.00 0.00 N ATOM 158 CA HIS A 13 -1.875 -11.494 4.769 1.00 0.00 C ATOM 159 C HIS A 13 -1.349 -10.831 6.043 1.00 0.00 C ATOM 160 O HIS A 13 -1.441 -11.402 7.128 1.00 0.00 O ATOM 161 CB HIS A 13 -3.080 -10.762 4.173 1.00 0.00 C ATOM 162 CG HIS A 13 -3.646 -9.684 5.066 1.00 0.00 C ATOM 163 ND1 HIS A 13 -3.281 -8.354 4.959 1.00 0.00 N ATOM 164 CD2 HIS A 13 -4.555 -9.754 6.081 1.00 0.00 C ATOM 165 CE1 HIS A 13 -3.946 -7.663 5.875 1.00 0.00 C ATOM 166 NE2 HIS A 13 -4.734 -8.532 6.568 1.00 0.00 N ATOM 0 H HIS A 13 -2.615 -13.055 5.957 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.084 -11.441 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.788 -10.316 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.863 -11.489 3.957 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.614 -7.970 4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.046 -10.651 6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.875 -6.598 6.042 1.00 0.00 H new ATOM 174 N ALA A 14 -0.809 -9.634 5.869 1.00 0.00 N ATOM 175 CA ALA A 14 -0.267 -8.886 6.991 1.00 0.00 C ATOM 176 C ALA A 14 -0.979 -7.536 7.089 1.00 0.00 C ATOM 177 O ALA A 14 -0.764 -6.655 6.258 1.00 0.00 O ATOM 178 CB ALA A 14 1.247 -8.738 6.823 1.00 0.00 C ATOM 0 H ALA A 14 -0.735 -9.163 4.967 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.440 -9.418 7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.653 -8.177 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.708 -9.725 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.460 -8.206 5.896 1.00 0.00 H new ATOM 184 N ARG A 15 -1.811 -7.415 8.113 1.00 0.00 N ATOM 185 CA ARG A 15 -2.555 -6.186 8.331 1.00 0.00 C ATOM 186 C ARG A 15 -1.871 -5.334 9.402 1.00 0.00 C ATOM 187 O ARG A 15 -2.055 -5.565 10.596 1.00 0.00 O ATOM 188 CB ARG A 15 -3.992 -6.483 8.767 1.00 0.00 C ATOM 189 CG ARG A 15 -4.992 -5.661 7.952 1.00 0.00 C ATOM 190 CD ARG A 15 -5.920 -4.860 8.869 1.00 0.00 C ATOM 191 NE ARG A 15 -7.333 -5.166 8.550 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.997 -6.228 9.027 1.00 0.00 C ATOM 193 NH1 ARG A 15 -7.381 -7.091 9.846 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.278 -6.425 8.686 1.00 0.00 N ATOM 0 H ARG A 15 -1.986 -8.148 8.801 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.578 -5.640 7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.202 -7.545 8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.108 -6.257 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.455 -4.982 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.583 -6.324 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.713 -5.102 9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.734 -3.793 8.747 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.832 -4.529 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.407 -6.940 10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.887 -7.899 10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.747 -5.767 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.784 -7.233 9.049 1.00 0.00 H new ATOM 208 N ILE A 16 -1.096 -4.365 8.935 1.00 0.00 N ATOM 209 CA ILE A 16 -0.383 -3.477 9.837 1.00 0.00 C ATOM 210 C ILE A 16 -0.685 -2.025 9.461 1.00 0.00 C ATOM 211 O ILE A 16 -1.008 -1.733 8.310 1.00 0.00 O ATOM 212 CB ILE A 16 1.110 -3.811 9.849 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.335 -5.308 10.077 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.855 -2.957 10.876 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.662 -5.596 11.544 1.00 0.00 C ATOM 0 H ILE A 16 -0.947 -4.176 7.944 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.726 -3.620 10.862 1.00 0.00 H new ATOM 0 HB ILE A 16 1.522 -3.568 8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.443 -5.862 9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.150 -5.658 9.444 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.914 -3.215 10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.735 -1.902 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.447 -3.144 11.869 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.817 -6.666 11.679 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.568 -5.060 11.827 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.834 -5.267 12.173 1.00 0.00 H new ATOM 227 N LYS A 17 -0.570 -1.155 10.453 1.00 0.00 N ATOM 228 CA LYS A 17 -0.828 0.260 10.240 1.00 0.00 C ATOM 229 C LYS A 17 0.487 1.034 10.349 1.00 0.00 C ATOM 230 O LYS A 17 1.210 0.903 11.336 1.00 0.00 O ATOM 231 CB LYS A 17 -1.915 0.756 11.195 1.00 0.00 C ATOM 232 CG LYS A 17 -1.393 1.892 12.078 1.00 0.00 C ATOM 233 CD LYS A 17 -0.558 1.345 13.238 1.00 0.00 C ATOM 234 CE LYS A 17 -1.209 1.673 14.583 1.00 0.00 C ATOM 235 NZ LYS A 17 -1.615 0.431 15.278 1.00 0.00 N ATOM 0 H LYS A 17 -0.302 -1.401 11.406 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.217 0.430 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.776 1.101 10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.258 -0.068 11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.789 2.574 11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.232 2.468 12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.450 0.265 13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.445 1.771 13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.511 2.233 15.205 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.079 2.311 14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.055 0.671 16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.298 -0.089 14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.778 -0.163 15.444 1.00 0.00 H new ATOM 249 N ILE A 18 0.757 1.825 9.322 1.00 0.00 N ATOM 250 CA ILE A 18 1.973 2.621 9.289 1.00 0.00 C ATOM 251 C ILE A 18 1.715 3.965 9.973 1.00 0.00 C ATOM 252 O ILE A 18 0.878 4.746 9.520 1.00 0.00 O ATOM 253 CB ILE A 18 2.492 2.750 7.856 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.509 1.390 7.155 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.863 3.427 7.828 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.943 1.495 5.738 1.00 0.00 C ATOM 0 H ILE A 18 0.155 1.932 8.506 1.00 0.00 H new ATOM 0 HA ILE A 18 2.768 2.125 9.847 1.00 0.00 H new ATOM 0 HB ILE A 18 1.806 3.390 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.530 1.010 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.925 0.673 7.731 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.209 3.506 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.786 4.424 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.573 2.834 8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.967 0.514 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.914 1.851 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.544 2.194 5.157 1.00 0.00 H new ATOM 268 N THR A 19 2.449 4.196 11.051 1.00 0.00 N ATOM 269 CA THR A 19 2.310 5.432 11.801 1.00 0.00 C ATOM 270 C THR A 19 3.518 6.342 11.559 1.00 0.00 C ATOM 271 O THR A 19 4.661 5.891 11.617 1.00 0.00 O ATOM 272 CB THR A 19 2.108 5.071 13.275 1.00 0.00 C ATOM 273 OG1 THR A 19 2.447 3.689 13.343 1.00 0.00 O ATOM 274 CG2 THR A 19 0.636 5.115 13.691 1.00 0.00 C ATOM 0 H THR A 19 3.143 3.547 11.423 1.00 0.00 H new ATOM 0 HA THR A 19 1.442 6.001 11.468 1.00 0.00 H new ATOM 0 HB THR A 19 2.682 5.756 13.899 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.346 3.372 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.548 4.851 14.745 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.244 6.120 13.534 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.067 4.405 13.090 1.00 0.00 H new ATOM 449 N LEU A 32 5.544 9.112 6.103 1.00 0.00 N ATOM 450 CA LEU A 32 5.376 7.671 6.011 1.00 0.00 C ATOM 451 C LEU A 32 6.648 7.050 5.429 1.00 0.00 C ATOM 452 O LEU A 32 7.318 6.262 6.093 1.00 0.00 O ATOM 453 CB LEU A 32 4.109 7.328 5.226 1.00 0.00 C ATOM 454 CG LEU A 32 2.988 6.657 6.022 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.674 7.442 7.296 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.745 6.453 5.153 1.00 0.00 C ATOM 0 HA LEU A 32 5.235 7.240 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.717 8.246 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.384 6.672 4.400 1.00 0.00 H new ATOM 0 HG LEU A 32 3.332 5.669 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.874 6.943 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.565 7.491 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.359 8.452 7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.963 5.974 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.389 7.419 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.996 5.820 4.302 1.00 0.00 H new ATOM 468 N GLY A 33 6.941 7.429 4.193 1.00 0.00 N ATOM 469 CA GLY A 33 8.120 6.919 3.514 1.00 0.00 C ATOM 470 C GLY A 33 7.870 5.512 2.965 1.00 0.00 C ATOM 471 O GLY A 33 8.436 4.538 3.460 1.00 0.00 O ATOM 0 H GLY A 33 6.382 8.083 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.393 7.589 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.962 6.899 4.205 1.00 0.00 H new ATOM 475 N ILE A 34 7.022 5.450 1.949 1.00 0.00 N ATOM 476 CA ILE A 34 6.691 4.180 1.327 1.00 0.00 C ATOM 477 C ILE A 34 6.319 4.415 -0.138 1.00 0.00 C ATOM 478 O ILE A 34 5.476 5.258 -0.441 1.00 0.00 O ATOM 479 CB ILE A 34 5.606 3.458 2.128 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.352 2.056 1.570 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.324 4.290 2.189 1.00 0.00 C ATOM 482 CD1 ILE A 34 5.110 1.051 2.698 1.00 0.00 C ATOM 0 H ILE A 34 6.554 6.259 1.541 1.00 0.00 H new ATOM 0 HA ILE A 34 7.556 3.516 1.334 1.00 0.00 H new ATOM 0 HB ILE A 34 5.962 3.338 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.488 2.077 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.207 1.738 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.569 3.754 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.533 5.246 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.955 4.464 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.932 0.063 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.985 1.015 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.240 1.358 3.279 1.00 0.00 H new ATOM 494 N ARG A 35 6.966 3.654 -1.009 1.00 0.00 N ATOM 495 CA ARG A 35 6.714 3.770 -2.435 1.00 0.00 C ATOM 496 C ARG A 35 6.074 2.485 -2.967 1.00 0.00 C ATOM 497 O ARG A 35 6.681 1.418 -2.915 1.00 0.00 O ATOM 498 CB ARG A 35 8.010 4.041 -3.204 1.00 0.00 C ATOM 499 CG ARG A 35 8.232 5.544 -3.390 1.00 0.00 C ATOM 500 CD ARG A 35 7.249 6.121 -4.409 1.00 0.00 C ATOM 501 NE ARG A 35 6.158 6.838 -3.712 1.00 0.00 N ATOM 502 CZ ARG A 35 6.324 7.981 -3.031 1.00 0.00 C ATOM 503 NH1 ARG A 35 7.537 8.544 -2.955 1.00 0.00 N ATOM 504 NH2 ARG A 35 5.276 8.560 -2.430 1.00 0.00 N ATOM 0 H ARG A 35 7.664 2.955 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 35 6.034 4.609 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.854 3.609 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.969 3.552 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.112 6.054 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.254 5.726 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.769 6.801 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.835 5.320 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 35 5.221 6.437 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.334 8.103 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.664 9.414 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.352 8.131 -2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.402 9.430 -1.912 1.00 0.00 H new ATOM 518 N ILE A 36 4.856 2.632 -3.467 1.00 0.00 N ATOM 519 CA ILE A 36 4.126 1.498 -4.007 1.00 0.00 C ATOM 520 C ILE A 36 3.807 1.757 -5.481 1.00 0.00 C ATOM 521 O ILE A 36 3.288 2.817 -5.830 1.00 0.00 O ATOM 522 CB ILE A 36 2.892 1.199 -3.155 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.292 0.641 -1.787 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.928 0.269 -3.892 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.156 0.803 -0.775 1.00 0.00 C ATOM 0 H ILE A 36 4.356 3.520 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 36 4.739 0.597 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 36 2.364 2.136 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.551 -0.413 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.182 1.157 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.059 0.073 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.605 0.741 -4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.431 -0.671 -4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.466 0.398 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.916 1.860 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.275 0.266 -1.127 1.00 0.00 H new ATOM 537 N VAL A 37 4.131 0.773 -6.306 1.00 0.00 N ATOM 538 CA VAL A 37 3.886 0.881 -7.734 1.00 0.00 C ATOM 539 C VAL A 37 2.644 0.065 -8.097 1.00 0.00 C ATOM 540 O VAL A 37 2.598 -1.140 -7.858 1.00 0.00 O ATOM 541 CB VAL A 37 5.132 0.454 -8.513 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.788 0.154 -9.974 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.231 1.513 -8.415 1.00 0.00 C ATOM 0 H VAL A 37 4.562 -0.104 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 37 3.686 1.916 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 37 5.511 -0.463 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.691 -0.147 -10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.055 -0.652 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.373 1.047 -10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.105 1.184 -8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.867 2.454 -8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.505 1.657 -7.370 1.00 0.00 H new ATOM 553 N GLY A 38 1.668 0.755 -8.668 1.00 0.00 N ATOM 554 CA GLY A 38 0.429 0.108 -9.067 1.00 0.00 C ATOM 555 C GLY A 38 0.486 -0.330 -10.531 1.00 0.00 C ATOM 556 O GLY A 38 1.509 -0.167 -11.193 1.00 0.00 O ATOM 0 H GLY A 38 1.710 1.755 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.246 -0.758 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.406 0.793 -8.921 1.00 0.00 H new ATOM 560 N GLY A 39 -0.628 -0.879 -10.995 1.00 0.00 N ATOM 561 CA GLY A 39 -0.717 -1.344 -12.368 1.00 0.00 C ATOM 562 C GLY A 39 0.517 -2.162 -12.753 1.00 0.00 C ATOM 563 O GLY A 39 1.210 -1.833 -13.715 1.00 0.00 O ATOM 0 H GLY A 39 -1.476 -1.012 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.613 -1.952 -12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.815 -0.490 -13.039 1.00 0.00 H new ATOM 567 N LYS A 40 0.756 -3.212 -11.982 1.00 0.00 N ATOM 568 CA LYS A 40 1.894 -4.080 -12.228 1.00 0.00 C ATOM 569 C LYS A 40 1.423 -5.535 -12.266 1.00 0.00 C ATOM 570 O LYS A 40 0.590 -5.943 -11.459 1.00 0.00 O ATOM 571 CB LYS A 40 3.000 -3.818 -11.205 1.00 0.00 C ATOM 572 CG LYS A 40 4.365 -4.241 -11.751 1.00 0.00 C ATOM 573 CD LYS A 40 5.077 -3.065 -12.420 1.00 0.00 C ATOM 574 CE LYS A 40 6.594 -3.262 -12.407 1.00 0.00 C ATOM 575 NZ LYS A 40 7.080 -3.636 -13.753 1.00 0.00 N ATOM 0 H LYS A 40 0.179 -3.482 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 40 2.334 -3.862 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.019 -2.759 -10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.787 -4.364 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.981 -4.629 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.238 -5.050 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.729 -2.962 -13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.823 -2.140 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.083 -2.344 -12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.860 -4.038 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.112 -3.766 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.627 -4.523 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.844 -2.882 -14.429 1.00 0.00 H new ATOM 589 N GLU A 41 1.976 -6.278 -13.214 1.00 0.00 N ATOM 590 CA GLU A 41 1.622 -7.679 -13.368 1.00 0.00 C ATOM 591 C GLU A 41 2.010 -8.465 -12.114 1.00 0.00 C ATOM 592 O GLU A 41 3.118 -8.316 -11.601 1.00 0.00 O ATOM 593 CB GLU A 41 2.278 -8.276 -14.614 1.00 0.00 C ATOM 594 CG GLU A 41 1.315 -9.213 -15.345 1.00 0.00 C ATOM 595 CD GLU A 41 1.922 -9.707 -16.660 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.863 -10.525 -16.578 1.00 0.00 O ATOM 597 OE2 GLU A 41 1.430 -9.255 -17.717 1.00 0.00 O ATOM 0 H GLU A 41 2.666 -5.936 -13.883 1.00 0.00 H new ATOM 0 HA GLU A 41 0.542 -7.749 -13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.590 -7.475 -15.284 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.177 -8.823 -14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.077 -10.065 -14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.378 -8.693 -15.546 1.00 0.00 H new ATOM 604 N ILE A 42 1.076 -9.285 -11.656 1.00 0.00 N ATOM 605 CA ILE A 42 1.306 -10.096 -10.472 1.00 0.00 C ATOM 606 C ILE A 42 1.825 -11.472 -10.893 1.00 0.00 C ATOM 607 O ILE A 42 1.357 -12.040 -11.878 1.00 0.00 O ATOM 608 CB ILE A 42 0.045 -10.151 -9.607 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.535 -8.752 -9.392 1.00 0.00 C ATOM 610 CG2 ILE A 42 0.318 -10.869 -8.284 1.00 0.00 C ATOM 611 CD1 ILE A 42 -1.990 -8.827 -8.922 1.00 0.00 C ATOM 0 H ILE A 42 0.158 -9.406 -12.083 1.00 0.00 H new ATOM 0 HA ILE A 42 2.075 -9.645 -9.845 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.708 -10.732 -10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.062 -8.217 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.478 -8.184 -10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.595 -10.894 -7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.648 -11.888 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.095 -10.337 -7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.378 -7.819 -8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.589 -9.342 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.041 -9.374 -7.981 1.00 0.00 H new ATOM 623 N PRO A 43 2.810 -11.980 -10.106 1.00 0.00 N ATOM 624 CA PRO A 43 3.397 -13.279 -10.387 1.00 0.00 C ATOM 625 C PRO A 43 2.446 -14.409 -9.988 1.00 0.00 C ATOM 626 O PRO A 43 1.996 -15.176 -10.837 1.00 0.00 O ATOM 627 CB PRO A 43 4.702 -13.299 -9.609 1.00 0.00 C ATOM 628 CG PRO A 43 4.576 -12.208 -8.558 1.00 0.00 C ATOM 629 CD PRO A 43 3.389 -11.336 -8.931 1.00 0.00 C ATOM 0 HA PRO A 43 3.580 -13.436 -11.450 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.865 -14.272 -9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.552 -13.113 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.433 -12.645 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.488 -11.613 -8.514 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.668 -11.279 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.702 -10.316 -9.153 1.00 0.00 H new ATOM 637 N GLY A 44 2.169 -14.476 -8.694 1.00 0.00 N ATOM 638 CA GLY A 44 1.279 -15.500 -8.171 1.00 0.00 C ATOM 639 C GLY A 44 0.083 -15.714 -9.101 1.00 0.00 C ATOM 640 O GLY A 44 -0.208 -16.844 -9.492 1.00 0.00 O ATOM 0 H GLY A 44 2.545 -13.838 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.825 -16.436 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.927 -15.210 -7.181 1.00 0.00 H new ATOM 644 N HIS A 45 -0.577 -14.613 -9.429 1.00 0.00 N ATOM 645 CA HIS A 45 -1.733 -14.667 -10.306 1.00 0.00 C ATOM 646 C HIS A 45 -1.284 -15.009 -11.728 1.00 0.00 C ATOM 647 O HIS A 45 -0.091 -14.991 -12.027 1.00 0.00 O ATOM 648 CB HIS A 45 -2.531 -13.363 -10.234 1.00 0.00 C ATOM 649 CG HIS A 45 -3.741 -13.433 -9.332 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.038 -13.383 -9.813 1.00 0.00 N ATOM 651 CD2 HIS A 45 -3.837 -13.549 -7.977 1.00 0.00 C ATOM 652 CE1 HIS A 45 -5.868 -13.466 -8.785 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.122 -13.568 -7.648 1.00 0.00 N ATOM 0 H HIS A 45 -0.333 -13.678 -9.103 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.407 -15.457 -9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.875 -12.566 -9.884 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.855 -13.091 -11.239 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.008 -13.614 -7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.947 -13.455 -8.838 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.491 -13.646 -6.700 1.00 0.00 H new ATOM 661 N SER A 46 -2.264 -15.313 -12.567 1.00 0.00 N ATOM 662 CA SER A 46 -1.984 -15.659 -13.950 1.00 0.00 C ATOM 663 C SER A 46 -1.910 -14.390 -14.802 1.00 0.00 C ATOM 664 O SER A 46 -0.929 -14.171 -15.511 1.00 0.00 O ATOM 665 CB SER A 46 -3.046 -16.610 -14.506 1.00 0.00 C ATOM 666 OG SER A 46 -2.468 -17.773 -15.090 1.00 0.00 O ATOM 0 H SER A 46 -3.252 -15.327 -12.315 1.00 0.00 H new ATOM 0 HA SER A 46 -1.022 -16.171 -13.986 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.723 -16.905 -13.705 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.644 -16.088 -15.253 1.00 0.00 H new ATOM 0 HG SER A 46 -3.179 -18.355 -15.431 1.00 0.00 H new ATOM 672 N GLY A 47 -2.959 -13.588 -14.703 1.00 0.00 N ATOM 673 CA GLY A 47 -3.026 -12.347 -15.456 1.00 0.00 C ATOM 674 C GLY A 47 -3.888 -11.311 -14.732 1.00 0.00 C ATOM 675 O GLY A 47 -5.105 -11.277 -14.911 1.00 0.00 O ATOM 0 H GLY A 47 -3.770 -13.773 -14.113 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.021 -11.951 -15.601 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.439 -12.540 -16.446 1.00 0.00 H new ATOM 679 N GLU A 48 -3.224 -10.493 -13.929 1.00 0.00 N ATOM 680 CA GLU A 48 -3.915 -9.459 -13.177 1.00 0.00 C ATOM 681 C GLU A 48 -2.925 -8.391 -12.709 1.00 0.00 C ATOM 682 O GLU A 48 -1.813 -8.712 -12.288 1.00 0.00 O ATOM 683 CB GLU A 48 -4.676 -10.059 -11.992 1.00 0.00 C ATOM 684 CG GLU A 48 -5.719 -9.076 -11.456 1.00 0.00 C ATOM 685 CD GLU A 48 -6.696 -8.659 -12.558 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.542 -9.507 -12.916 1.00 0.00 O ATOM 687 OE2 GLU A 48 -6.576 -7.502 -13.016 1.00 0.00 O ATOM 0 H GLU A 48 -2.215 -10.525 -13.783 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.645 -8.986 -13.834 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.166 -10.983 -12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.975 -10.319 -11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.267 -9.535 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.220 -8.194 -11.054 1.00 0.00 H new ATOM 694 N ILE A 49 -3.362 -7.144 -12.797 1.00 0.00 N ATOM 695 CA ILE A 49 -2.528 -6.027 -12.387 1.00 0.00 C ATOM 696 C ILE A 49 -2.892 -5.621 -10.958 1.00 0.00 C ATOM 697 O ILE A 49 -4.068 -5.596 -10.597 1.00 0.00 O ATOM 698 CB ILE A 49 -2.631 -4.883 -13.397 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.088 -4.615 -13.776 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.759 -5.154 -14.625 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.286 -3.160 -14.204 1.00 0.00 C ATOM 0 H ILE A 49 -4.284 -6.882 -13.147 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.478 -6.319 -12.377 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.250 -3.977 -12.926 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.384 -5.280 -14.587 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.735 -4.839 -12.928 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.851 -4.325 -15.327 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.718 -5.255 -14.317 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.086 -6.075 -15.107 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.331 -2.997 -14.468 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.012 -2.498 -13.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.656 -2.946 -15.067 1.00 0.00 H new ATOM 713 N GLY A 50 -1.862 -5.313 -10.184 1.00 0.00 N ATOM 714 CA GLY A 50 -2.059 -4.909 -8.802 1.00 0.00 C ATOM 715 C GLY A 50 -1.033 -3.851 -8.388 1.00 0.00 C ATOM 716 O GLY A 50 -0.448 -3.184 -9.238 1.00 0.00 O ATOM 0 H GLY A 50 -0.888 -5.335 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.067 -4.513 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.974 -5.778 -8.150 1.00 0.00 H new ATOM 720 N ALA A 51 -0.849 -3.732 -7.082 1.00 0.00 N ATOM 721 CA ALA A 51 0.096 -2.767 -6.544 1.00 0.00 C ATOM 722 C ALA A 51 1.027 -3.467 -5.553 1.00 0.00 C ATOM 723 O ALA A 51 0.607 -4.377 -4.839 1.00 0.00 O ATOM 724 CB ALA A 51 -0.669 -1.606 -5.906 1.00 0.00 C ATOM 0 H ALA A 51 -1.338 -4.287 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 51 0.715 -2.352 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.039 -0.882 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.292 -1.123 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.300 -1.984 -5.101 1.00 0.00 H new ATOM 730 N TYR A 52 2.272 -3.018 -5.541 1.00 0.00 N ATOM 731 CA TYR A 52 3.266 -3.590 -4.649 1.00 0.00 C ATOM 732 C TYR A 52 4.269 -2.530 -4.192 1.00 0.00 C ATOM 733 O TYR A 52 4.519 -1.558 -4.904 1.00 0.00 O ATOM 734 CB TYR A 52 4.004 -4.654 -5.466 1.00 0.00 C ATOM 735 CG TYR A 52 4.940 -4.082 -6.531 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.430 -3.654 -7.741 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.294 -3.993 -6.284 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.311 -3.115 -8.743 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.176 -3.455 -7.288 1.00 0.00 C ATOM 740 CZ TYR A 52 6.640 -3.042 -8.467 1.00 0.00 C ATOM 741 OH TYR A 52 7.473 -2.534 -9.415 1.00 0.00 O ATOM 0 H TYR A 52 2.616 -2.264 -6.135 1.00 0.00 H new ATOM 0 HA TYR A 52 2.790 -4.001 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.582 -5.282 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.271 -5.299 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.370 -3.724 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.693 -4.327 -5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.925 -2.776 -9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.238 -3.382 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 52 8.394 -2.542 -9.080 1.00 0.00 H new ATOM 751 N ILE A 53 4.818 -2.751 -3.007 1.00 0.00 N ATOM 752 CA ILE A 53 5.788 -1.827 -2.446 1.00 0.00 C ATOM 753 C ILE A 53 7.105 -1.947 -3.216 1.00 0.00 C ATOM 754 O ILE A 53 7.817 -2.941 -3.082 1.00 0.00 O ATOM 755 CB ILE A 53 5.933 -2.050 -0.940 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.575 -1.975 -0.241 1.00 0.00 C ATOM 757 CG2 ILE A 53 6.944 -1.073 -0.335 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.577 -2.795 1.051 1.00 0.00 C ATOM 0 H ILE A 53 4.609 -3.558 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 53 5.444 -0.799 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 53 6.322 -3.056 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.335 -0.936 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.797 -2.345 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.028 -1.253 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.917 -1.219 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.608 -0.050 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.600 -2.725 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.794 -3.838 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.339 -2.407 1.727 1.00 0.00 H new ATOM 770 N ALA A 54 7.389 -0.921 -4.004 1.00 0.00 N ATOM 771 CA ALA A 54 8.607 -0.900 -4.795 1.00 0.00 C ATOM 772 C ALA A 54 9.814 -1.075 -3.870 1.00 0.00 C ATOM 773 O ALA A 54 10.623 -1.982 -4.065 1.00 0.00 O ATOM 774 CB ALA A 54 8.674 0.401 -5.597 1.00 0.00 C ATOM 0 H ALA A 54 6.796 -0.098 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 54 8.614 -1.724 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.588 0.416 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.811 0.465 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.671 1.250 -4.914 1.00 0.00 H new ATOM 780 N LYS A 55 9.897 -0.195 -2.884 1.00 0.00 N ATOM 781 CA LYS A 55 10.991 -0.241 -1.929 1.00 0.00 C ATOM 782 C LYS A 55 10.565 0.461 -0.638 1.00 0.00 C ATOM 783 O LYS A 55 9.473 1.024 -0.564 1.00 0.00 O ATOM 784 CB LYS A 55 12.267 0.330 -2.548 1.00 0.00 C ATOM 785 CG LYS A 55 12.418 1.817 -2.218 1.00 0.00 C ATOM 786 CD LYS A 55 11.107 2.569 -2.464 1.00 0.00 C ATOM 787 CE LYS A 55 11.373 3.949 -3.069 1.00 0.00 C ATOM 788 NZ LYS A 55 11.383 4.985 -2.013 1.00 0.00 N ATOM 0 H LYS A 55 9.224 0.555 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 55 11.226 -1.273 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.133 -0.218 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.243 0.194 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.718 1.933 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.210 2.250 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.472 1.990 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.564 2.678 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.329 3.945 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.607 4.182 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.697 5.890 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.425 5.094 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.034 4.701 -1.254 1.00 0.00 H new ATOM 802 N ILE A 56 11.448 0.404 0.347 1.00 0.00 N ATOM 803 CA ILE A 56 11.177 1.028 1.632 1.00 0.00 C ATOM 804 C ILE A 56 12.175 2.164 1.863 1.00 0.00 C ATOM 805 O ILE A 56 13.291 2.129 1.348 1.00 0.00 O ATOM 806 CB ILE A 56 11.171 -0.021 2.747 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.959 -0.947 2.621 1.00 0.00 C ATOM 808 CG2 ILE A 56 11.248 0.641 4.123 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.604 -1.569 3.973 1.00 0.00 C ATOM 0 H ILE A 56 12.352 -0.064 0.282 1.00 0.00 H new ATOM 0 HA ILE A 56 10.181 1.471 1.637 1.00 0.00 H new ATOM 0 HB ILE A 56 12.061 -0.640 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.106 -0.386 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.172 -1.735 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.242 -0.127 4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.167 1.223 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.390 1.299 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.740 -2.223 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.451 -2.149 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.368 -0.779 4.686 1.00 0.00 H new ATOM 821 N LEU A 57 11.736 3.145 2.637 1.00 0.00 N ATOM 822 CA LEU A 57 12.577 4.291 2.942 1.00 0.00 C ATOM 823 C LEU A 57 13.527 3.930 4.087 1.00 0.00 C ATOM 824 O LEU A 57 13.225 3.056 4.897 1.00 0.00 O ATOM 825 CB LEU A 57 11.719 5.526 3.222 1.00 0.00 C ATOM 826 CG LEU A 57 11.093 6.198 1.998 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.039 7.242 1.401 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.659 5.158 0.963 1.00 0.00 C ATOM 0 H LEU A 57 10.809 3.171 3.062 1.00 0.00 H new ATOM 0 HA LEU A 57 13.195 4.549 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.919 5.241 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.334 6.261 3.741 1.00 0.00 H new ATOM 0 HG LEU A 57 10.195 6.725 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.569 7.704 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.254 8.007 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.968 6.760 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.217 5.662 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.526 4.582 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.924 4.487 1.407 1.00 0.00 H new ATOM 840 N PRO A 58 14.687 4.641 4.116 1.00 0.00 N ATOM 841 CA PRO A 58 15.682 4.405 5.147 1.00 0.00 C ATOM 842 C PRO A 58 15.240 5.004 6.484 1.00 0.00 C ATOM 843 O PRO A 58 15.335 6.213 6.688 1.00 0.00 O ATOM 844 CB PRO A 58 16.960 5.028 4.610 1.00 0.00 C ATOM 845 CG PRO A 58 16.526 5.992 3.517 1.00 0.00 C ATOM 846 CD PRO A 58 15.078 5.685 3.173 1.00 0.00 C ATOM 0 HA PRO A 58 15.828 3.345 5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.502 5.550 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.630 4.265 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.628 7.023 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.159 5.881 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.450 6.569 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.979 5.345 2.142 1.00 0.00 H new ATOM 854 N GLY A 59 14.767 4.129 7.360 1.00 0.00 N ATOM 855 CA GLY A 59 14.310 4.556 8.671 1.00 0.00 C ATOM 856 C GLY A 59 12.972 5.293 8.573 1.00 0.00 C ATOM 857 O GLY A 59 12.784 6.331 9.205 1.00 0.00 O ATOM 0 H GLY A 59 14.691 3.127 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.205 3.689 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.056 5.208 9.125 1.00 0.00 H new ATOM 861 N GLY A 60 12.079 4.728 7.775 1.00 0.00 N ATOM 862 CA GLY A 60 10.765 5.317 7.586 1.00 0.00 C ATOM 863 C GLY A 60 9.732 4.663 8.506 1.00 0.00 C ATOM 864 O GLY A 60 10.082 3.841 9.352 1.00 0.00 O ATOM 0 H GLY A 60 12.240 3.868 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.810 6.387 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.457 5.201 6.547 1.00 0.00 H new ATOM 868 N SER A 61 8.481 5.053 8.310 1.00 0.00 N ATOM 869 CA SER A 61 7.395 4.513 9.112 1.00 0.00 C ATOM 870 C SER A 61 7.138 3.054 8.732 1.00 0.00 C ATOM 871 O SER A 61 6.885 2.219 9.598 1.00 0.00 O ATOM 872 CB SER A 61 6.120 5.340 8.936 1.00 0.00 C ATOM 873 OG SER A 61 6.366 6.737 9.075 1.00 0.00 O ATOM 0 H SER A 61 8.195 5.736 7.608 1.00 0.00 H new ATOM 0 HA SER A 61 7.687 4.561 10.161 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.693 5.143 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.380 5.027 9.673 1.00 0.00 H new ATOM 0 HG SER A 61 5.951 7.062 9.901 1.00 0.00 H new ATOM 879 N ALA A 62 7.212 2.792 7.434 1.00 0.00 N ATOM 880 CA ALA A 62 6.990 1.447 6.929 1.00 0.00 C ATOM 881 C ALA A 62 8.101 0.526 7.438 1.00 0.00 C ATOM 882 O ALA A 62 7.855 -0.640 7.739 1.00 0.00 O ATOM 883 CB ALA A 62 6.916 1.483 5.401 1.00 0.00 C ATOM 0 H ALA A 62 7.422 3.488 6.718 1.00 0.00 H new ATOM 0 HA ALA A 62 6.042 1.051 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.750 0.475 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.093 2.128 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.852 1.872 5.000 1.00 0.00 H new ATOM 889 N GLU A 63 9.299 1.086 7.518 1.00 0.00 N ATOM 890 CA GLU A 63 10.448 0.329 7.986 1.00 0.00 C ATOM 891 C GLU A 63 10.351 0.094 9.494 1.00 0.00 C ATOM 892 O GLU A 63 10.833 -0.918 10.000 1.00 0.00 O ATOM 893 CB GLU A 63 11.755 1.038 7.624 1.00 0.00 C ATOM 894 CG GLU A 63 12.965 0.233 8.103 1.00 0.00 C ATOM 895 CD GLU A 63 13.817 1.051 9.076 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.462 1.054 10.275 1.00 0.00 O ATOM 897 OE2 GLU A 63 14.803 1.653 8.600 1.00 0.00 O ATOM 0 H GLU A 63 9.499 2.054 7.267 1.00 0.00 H new ATOM 0 HA GLU A 63 10.448 -0.640 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.811 1.178 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.772 2.030 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.628 -0.682 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.570 -0.066 7.247 1.00 0.00 H new ATOM 904 N GLN A 64 9.725 1.046 10.170 1.00 0.00 N ATOM 905 CA GLN A 64 9.559 0.955 11.610 1.00 0.00 C ATOM 906 C GLN A 64 8.837 -0.342 11.981 1.00 0.00 C ATOM 907 O GLN A 64 9.347 -1.138 12.767 1.00 0.00 O ATOM 908 CB GLN A 64 8.810 2.174 12.154 1.00 0.00 C ATOM 909 CG GLN A 64 9.784 3.204 12.730 1.00 0.00 C ATOM 910 CD GLN A 64 9.490 3.471 14.208 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.128 2.586 14.965 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.666 4.737 14.573 1.00 0.00 N ATOM 0 H GLN A 64 9.327 1.884 9.747 1.00 0.00 H new ATOM 0 HA GLN A 64 10.547 0.942 12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.222 2.630 11.357 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.109 1.859 12.927 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.807 2.845 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.710 4.134 12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.971 5.428 13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.496 5.018 15.539 1.00 0.00 H new ATOM 921 N THR A 65 7.660 -0.514 11.396 1.00 0.00 N ATOM 922 CA THR A 65 6.862 -1.700 11.655 1.00 0.00 C ATOM 923 C THR A 65 7.758 -2.939 11.733 1.00 0.00 C ATOM 924 O THR A 65 7.796 -3.617 12.758 1.00 0.00 O ATOM 925 CB THR A 65 5.789 -1.795 10.569 1.00 0.00 C ATOM 926 OG1 THR A 65 6.529 -1.824 9.351 1.00 0.00 O ATOM 927 CG2 THR A 65 4.948 -0.521 10.463 1.00 0.00 C ATOM 0 H THR A 65 7.240 0.148 10.744 1.00 0.00 H new ATOM 0 HA THR A 65 6.362 -1.637 12.622 1.00 0.00 H new ATOM 0 HB THR A 65 5.138 -2.644 10.777 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.866 -0.926 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.202 -0.642 9.678 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.448 -0.335 11.413 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.595 0.323 10.222 1.00 0.00 H new ATOM 935 N GLY A 66 8.456 -3.195 10.636 1.00 0.00 N ATOM 936 CA GLY A 66 9.348 -4.340 10.567 1.00 0.00 C ATOM 937 C GLY A 66 8.629 -5.563 9.996 1.00 0.00 C ATOM 938 O GLY A 66 9.263 -6.565 9.670 1.00 0.00 O ATOM 0 H GLY A 66 8.422 -2.629 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.209 -4.097 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.728 -4.569 11.562 1.00 0.00 H new ATOM 942 N LYS A 67 7.313 -5.441 9.893 1.00 0.00 N ATOM 943 CA LYS A 67 6.501 -6.524 9.367 1.00 0.00 C ATOM 944 C LYS A 67 6.416 -6.399 7.844 1.00 0.00 C ATOM 945 O LYS A 67 6.253 -7.398 7.144 1.00 0.00 O ATOM 946 CB LYS A 67 5.136 -6.555 10.058 1.00 0.00 C ATOM 947 CG LYS A 67 4.973 -7.827 10.893 1.00 0.00 C ATOM 948 CD LYS A 67 4.279 -8.926 10.087 1.00 0.00 C ATOM 949 CE LYS A 67 4.145 -10.209 10.910 1.00 0.00 C ATOM 950 NZ LYS A 67 4.509 -11.389 10.095 1.00 0.00 N ATOM 0 H LYS A 67 6.790 -4.609 10.165 1.00 0.00 H new ATOM 0 HA LYS A 67 6.964 -7.487 9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.028 -5.679 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.345 -6.503 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.951 -8.176 11.225 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.393 -7.606 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.292 -8.585 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.847 -9.130 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.789 -10.154 11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.122 -10.311 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.412 -12.251 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.878 -11.450 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.493 -11.297 9.771 1.00 0.00 H new ATOM 964 N LEU A 68 6.530 -5.165 7.376 1.00 0.00 N ATOM 965 CA LEU A 68 6.468 -4.896 5.950 1.00 0.00 C ATOM 966 C LEU A 68 7.785 -5.322 5.298 1.00 0.00 C ATOM 967 O LEU A 68 8.812 -5.411 5.966 1.00 0.00 O ATOM 968 CB LEU A 68 6.100 -3.433 5.695 1.00 0.00 C ATOM 969 CG LEU A 68 4.615 -3.084 5.815 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.847 -3.519 4.565 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.013 -3.676 7.092 1.00 0.00 C ATOM 0 H LEU A 68 6.665 -4.340 7.960 1.00 0.00 H new ATOM 0 HA LEU A 68 5.676 -5.484 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.657 -2.811 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.436 -3.164 4.694 1.00 0.00 H new ATOM 0 HG LEU A 68 4.524 -2.000 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.794 -3.259 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.256 -3.011 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.943 -4.597 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.957 -3.413 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.116 -4.761 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.537 -3.276 7.960 1.00 0.00 H new ATOM 983 N MET A 69 7.710 -5.574 3.999 1.00 0.00 N ATOM 984 CA MET A 69 8.884 -5.989 3.249 1.00 0.00 C ATOM 985 C MET A 69 8.821 -5.479 1.807 1.00 0.00 C ATOM 986 O MET A 69 7.740 -5.355 1.236 1.00 0.00 O ATOM 987 CB MET A 69 8.976 -7.516 3.247 1.00 0.00 C ATOM 988 CG MET A 69 9.530 -8.033 4.576 1.00 0.00 C ATOM 989 SD MET A 69 10.418 -9.560 4.315 1.00 0.00 S ATOM 990 CE MET A 69 11.693 -9.392 5.551 1.00 0.00 C ATOM 0 H MET A 69 6.855 -5.499 3.447 1.00 0.00 H new ATOM 0 HA MET A 69 9.767 -5.564 3.727 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.989 -7.943 3.069 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.617 -7.844 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.192 -7.288 5.018 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.715 -8.193 5.282 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.342 -10.267 5.525 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.281 -8.497 5.348 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.235 -9.309 6.537 1.00 0.00 H new ATOM 1000 N GLU A 70 9.995 -5.198 1.261 1.00 0.00 N ATOM 1001 CA GLU A 70 10.087 -4.704 -0.103 1.00 0.00 C ATOM 1002 C GLU A 70 9.652 -5.789 -1.090 1.00 0.00 C ATOM 1003 O GLU A 70 9.790 -6.979 -0.810 1.00 0.00 O ATOM 1004 CB GLU A 70 11.504 -4.216 -0.413 1.00 0.00 C ATOM 1005 CG GLU A 70 11.950 -3.152 0.592 1.00 0.00 C ATOM 1006 CD GLU A 70 13.452 -3.253 0.865 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.874 -4.339 1.318 1.00 0.00 O ATOM 1008 OE2 GLU A 70 14.143 -2.241 0.617 1.00 0.00 O ATOM 0 H GLU A 70 10.890 -5.303 1.738 1.00 0.00 H new ATOM 0 HA GLU A 70 9.413 -3.854 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.196 -5.058 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.538 -3.805 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.712 -2.160 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.398 -3.273 1.524 1.00 0.00 H new ATOM 1015 N GLY A 71 9.135 -5.339 -2.223 1.00 0.00 N ATOM 1016 CA GLY A 71 8.679 -6.257 -3.254 1.00 0.00 C ATOM 1017 C GLY A 71 7.432 -7.017 -2.798 1.00 0.00 C ATOM 1018 O GLY A 71 7.235 -8.172 -3.170 1.00 0.00 O ATOM 0 H GLY A 71 9.021 -4.351 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.459 -5.704 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.473 -6.964 -3.494 1.00 0.00 H new ATOM 1022 N MET A 72 6.623 -6.337 -1.999 1.00 0.00 N ATOM 1023 CA MET A 72 5.400 -6.934 -1.488 1.00 0.00 C ATOM 1024 C MET A 72 4.176 -6.400 -2.235 1.00 0.00 C ATOM 1025 O MET A 72 4.090 -5.206 -2.521 1.00 0.00 O ATOM 1026 CB MET A 72 5.264 -6.622 0.003 1.00 0.00 C ATOM 1027 CG MET A 72 6.019 -7.650 0.849 1.00 0.00 C ATOM 1028 SD MET A 72 4.897 -8.915 1.419 1.00 0.00 S ATOM 1029 CE MET A 72 4.992 -8.643 3.181 1.00 0.00 C ATOM 0 H MET A 72 6.790 -5.379 -1.693 1.00 0.00 H new ATOM 0 HA MET A 72 5.453 -8.012 -1.639 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.651 -5.624 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.211 -6.618 0.283 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.819 -8.100 0.261 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.488 -7.158 1.701 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.187 -9.186 3.677 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.953 -8.999 3.553 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.894 -7.578 3.391 1.00 0.00 H new ATOM 1039 N GLN A 73 3.259 -7.310 -2.530 1.00 0.00 N ATOM 1040 CA GLN A 73 2.044 -6.946 -3.237 1.00 0.00 C ATOM 1041 C GLN A 73 0.977 -6.468 -2.250 1.00 0.00 C ATOM 1042 O GLN A 73 0.602 -7.199 -1.334 1.00 0.00 O ATOM 1043 CB GLN A 73 1.528 -8.115 -4.078 1.00 0.00 C ATOM 1044 CG GLN A 73 0.235 -7.740 -4.806 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.390 -8.963 -5.480 1.00 0.00 C ATOM 1046 OE1 GLN A 73 0.226 -10.005 -5.628 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.645 -8.778 -5.879 1.00 0.00 N ATOM 0 H GLN A 73 3.334 -8.299 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 73 2.275 -6.126 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.286 -8.408 -4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.351 -8.978 -3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.473 -7.309 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.443 -6.975 -5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.102 -7.880 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.150 -9.535 -6.340 1.00 0.00 H new ATOM 1056 N VAL A 74 0.519 -5.245 -2.470 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.497 -4.660 -1.611 1.00 0.00 C ATOM 1058 C VAL A 74 -1.883 -4.976 -2.179 1.00 0.00 C ATOM 1059 O VAL A 74 -2.203 -4.582 -3.299 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.246 -3.160 -1.449 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.214 -2.549 -0.435 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.207 -2.887 -1.054 1.00 0.00 C ATOM 0 H VAL A 74 0.833 -4.642 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.448 -5.094 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.426 -2.684 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.014 -1.482 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.239 -2.697 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.080 -3.032 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.359 -1.813 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.426 -3.382 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.873 -3.271 -1.827 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.667 -5.686 -1.380 1.00 0.00 N ATOM 1073 CA LEU A 75 -4.009 -6.060 -1.789 1.00 0.00 C ATOM 1074 C LEU A 75 -4.921 -4.832 -1.716 1.00 0.00 C ATOM 1075 O LEU A 75 -5.609 -4.507 -2.682 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.511 -7.247 -0.964 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.667 -8.521 -1.043 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.953 -9.442 0.144 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.870 -9.231 -2.382 1.00 0.00 C ATOM 0 H LEU A 75 -2.398 -6.012 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.010 -6.399 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.572 -6.939 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.525 -7.485 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.616 -8.239 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.340 -10.340 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.716 -8.923 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.007 -9.720 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.259 -10.133 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.920 -9.500 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.576 -8.566 -3.194 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.895 -4.184 -0.560 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.709 -3.000 -0.348 1.00 0.00 C ATOM 1093 C GLU A 76 -4.975 -2.004 0.551 1.00 0.00 C ATOM 1094 O GLU A 76 -4.026 -2.370 1.244 1.00 0.00 O ATOM 1095 CB GLU A 76 -7.072 -3.370 0.242 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.753 -4.459 -0.590 1.00 0.00 C ATOM 1097 CD GLU A 76 -9.184 -4.704 -0.107 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -10.085 -4.016 -0.633 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.343 -5.573 0.777 1.00 0.00 O ATOM 0 H GLU A 76 -4.323 -4.457 0.239 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.884 -2.526 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.946 -3.717 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.708 -2.486 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.765 -4.166 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.180 -5.384 -0.524 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.440 -0.764 0.512 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.839 0.287 1.315 1.00 0.00 C ATOM 1108 C TRP A 77 -5.968 1.096 1.956 1.00 0.00 C ATOM 1109 O TRP A 77 -6.748 1.743 1.257 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.891 1.144 0.475 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.633 2.537 1.054 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -4.478 3.575 1.114 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -2.407 3.003 1.656 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -3.889 4.673 1.709 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -2.590 4.314 2.049 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -1.185 2.341 1.864 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -1.593 5.073 2.672 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 -0.199 3.113 2.488 1.00 0.00 C ATOM 1119 CH2 TRP A 77 -0.367 4.433 2.889 1.00 0.00 C ATOM 0 H TRP A 77 -6.227 -0.464 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.222 -0.137 2.107 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.939 0.622 0.373 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.305 1.250 -0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.492 3.555 0.744 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -4.327 5.580 1.869 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.020 1.316 1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -1.760 6.098 2.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.760 2.651 2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.445 4.963 3.366 1.00 0.00 H new ATOM 1130 N ASN A 78 -6.020 1.035 3.278 1.00 0.00 N ATOM 1131 CA ASN A 78 -7.040 1.754 4.021 1.00 0.00 C ATOM 1132 C ASN A 78 -8.423 1.299 3.552 1.00 0.00 C ATOM 1133 O ASN A 78 -9.379 2.072 3.583 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.933 3.262 3.786 1.00 0.00 C ATOM 1135 CG ASN A 78 -6.154 3.940 4.914 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -6.418 3.746 6.089 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.181 4.743 4.494 1.00 0.00 N ATOM 0 H ASN A 78 -5.372 0.498 3.854 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.896 1.543 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.438 3.451 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.931 3.695 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.603 5.241 5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.013 4.861 3.495 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.486 0.046 3.126 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.736 -0.522 2.650 1.00 0.00 C ATOM 1146 C GLY A 79 -9.815 -0.471 1.123 1.00 0.00 C ATOM 1147 O GLY A 79 -10.159 -1.463 0.483 1.00 0.00 O ATOM 0 H GLY A 79 -7.691 -0.592 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.822 -1.555 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.575 0.025 3.080 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.491 0.696 0.585 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.521 0.889 -0.855 1.00 0.00 C ATOM 1153 C ILE A 80 -8.585 -0.122 -1.521 1.00 0.00 C ATOM 1154 O ILE A 80 -7.405 -0.197 -1.180 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.206 2.345 -1.207 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.234 3.293 -0.587 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.094 2.530 -2.721 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.787 3.753 0.802 1.00 0.00 C ATOM 0 H ILE A 80 -9.207 1.517 1.120 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.522 0.701 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.236 2.599 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.372 4.159 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.199 2.792 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.870 3.573 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.295 1.896 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.037 2.253 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.535 4.426 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.673 2.886 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.833 4.275 0.723 1.00 0.00 H new ATOM 1170 N PRO A 81 -9.161 -0.892 -2.482 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.390 -1.895 -3.199 1.00 0.00 C ATOM 1172 C PRO A 81 -7.465 -1.243 -4.227 1.00 0.00 C ATOM 1173 O PRO A 81 -7.805 -0.215 -4.812 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.426 -2.810 -3.829 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.729 -2.027 -3.832 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.555 -0.830 -2.911 1.00 0.00 C ATOM 0 HA PRO A 81 -7.723 -2.459 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.136 -3.089 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.527 -3.734 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.975 -1.699 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.552 -2.655 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.768 0.104 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.234 -0.883 -2.060 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.311 -1.866 -4.417 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.333 -1.360 -5.364 1.00 0.00 C ATOM 1186 C LEU A 82 -5.156 -2.373 -6.498 1.00 0.00 C ATOM 1187 O LEU A 82 -4.111 -2.406 -7.148 1.00 0.00 O ATOM 1188 CB LEU A 82 -4.028 -1.003 -4.649 1.00 0.00 C ATOM 1189 CG LEU A 82 -4.157 -0.063 -3.449 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.801 0.150 -2.772 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.807 1.260 -3.857 1.00 0.00 C ATOM 0 H LEU A 82 -6.032 -2.718 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.685 -0.433 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.556 -1.927 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.353 -0.546 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.813 -0.532 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.920 0.822 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.413 -0.808 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.103 0.588 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.887 1.910 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.196 1.746 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.802 1.068 -4.259 1.00 0.00 H new ATOM 1203 N THR A 83 -6.192 -3.173 -6.701 1.00 0.00 N ATOM 1204 CA THR A 83 -6.164 -4.183 -7.744 1.00 0.00 C ATOM 1205 C THR A 83 -6.988 -3.728 -8.950 1.00 0.00 C ATOM 1206 O THR A 83 -8.070 -3.165 -8.790 1.00 0.00 O ATOM 1207 CB THR A 83 -6.650 -5.502 -7.139 1.00 0.00 C ATOM 1208 OG1 THR A 83 -6.033 -5.544 -5.856 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.084 -6.723 -7.865 1.00 0.00 C ATOM 0 H THR A 83 -7.056 -3.142 -6.160 1.00 0.00 H new ATOM 0 HA THR A 83 -5.152 -4.334 -8.120 1.00 0.00 H new ATOM 0 HB THR A 83 -7.739 -5.535 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.296 -6.367 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.460 -7.632 -7.396 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.392 -6.700 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.996 -6.709 -7.807 1.00 0.00 H new ATOM 1217 N SER A 84 -6.444 -3.987 -10.130 1.00 0.00 N ATOM 1218 CA SER A 84 -7.115 -3.610 -11.362 1.00 0.00 C ATOM 1219 C SER A 84 -7.173 -2.085 -11.482 1.00 0.00 C ATOM 1220 O SER A 84 -8.105 -1.540 -12.071 1.00 0.00 O ATOM 1221 CB SER A 84 -8.525 -4.201 -11.424 1.00 0.00 C ATOM 1222 OG SER A 84 -9.149 -3.963 -12.684 1.00 0.00 O ATOM 0 H SER A 84 -5.546 -4.453 -10.259 1.00 0.00 H new ATOM 0 HA SER A 84 -6.544 -4.012 -12.199 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.477 -5.274 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.134 -3.769 -10.630 1.00 0.00 H new ATOM 0 HG SER A 84 -9.103 -3.007 -12.897 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.165 -1.441 -10.914 1.00 0.00 N ATOM 1229 CA LYS A 85 -6.089 0.010 -10.949 1.00 0.00 C ATOM 1230 C LYS A 85 -4.876 0.433 -11.779 1.00 0.00 C ATOM 1231 O LYS A 85 -4.424 -0.311 -12.649 1.00 0.00 O ATOM 1232 CB LYS A 85 -6.093 0.582 -9.530 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.221 -0.028 -8.696 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.545 0.692 -8.955 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.324 0.896 -7.653 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.746 1.185 -7.940 1.00 0.00 N ATOM 0 H LYS A 85 -5.394 -1.897 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.971 0.425 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.134 0.384 -9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.211 1.665 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.325 -1.086 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.970 0.035 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.352 1.658 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.147 0.113 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.246 0.003 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.887 1.718 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.260 1.321 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.816 2.049 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.164 0.388 -8.462 1.00 0.00 H new ATOM 1250 N THR A 86 -4.382 1.625 -11.481 1.00 0.00 N ATOM 1251 CA THR A 86 -3.228 2.156 -12.190 1.00 0.00 C ATOM 1252 C THR A 86 -2.282 2.861 -11.215 1.00 0.00 C ATOM 1253 O THR A 86 -2.716 3.373 -10.184 1.00 0.00 O ATOM 1254 CB THR A 86 -3.738 3.066 -13.308 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.128 4.260 -12.633 1.00 0.00 O ATOM 1256 CG2 THR A 86 -5.036 2.553 -13.936 1.00 0.00 C ATOM 0 H THR A 86 -4.759 2.239 -10.759 1.00 0.00 H new ATOM 0 HA THR A 86 -2.640 1.358 -12.644 1.00 0.00 H new ATOM 0 HB THR A 86 -2.973 3.156 -14.079 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.470 4.907 -13.284 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.354 3.236 -14.724 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.869 1.563 -14.360 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.811 2.494 -13.172 1.00 0.00 H new ATOM 1264 N TYR A 87 -1.008 2.865 -11.578 1.00 0.00 N ATOM 1265 CA TYR A 87 0.004 3.499 -10.749 1.00 0.00 C ATOM 1266 C TYR A 87 -0.538 4.777 -10.105 1.00 0.00 C ATOM 1267 O TYR A 87 -0.582 4.889 -8.880 1.00 0.00 O ATOM 1268 CB TYR A 87 1.153 3.864 -11.690 1.00 0.00 C ATOM 1269 CG TYR A 87 2.347 4.515 -10.991 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.285 5.839 -10.606 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.488 3.779 -10.744 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.410 6.451 -9.947 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.613 4.391 -10.087 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.518 5.697 -9.721 1.00 0.00 C ATOM 1275 OH TYR A 87 5.580 6.276 -9.098 1.00 0.00 O ATOM 0 H TYR A 87 -0.653 2.440 -12.434 1.00 0.00 H new ATOM 0 HA TYR A 87 0.318 2.830 -9.947 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.491 2.962 -12.200 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.779 4.543 -12.457 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.393 6.416 -10.799 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.537 2.743 -11.044 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.374 7.486 -9.639 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.512 3.826 -9.889 1.00 0.00 H new ATOM 0 HH TYR A 87 6.301 5.619 -9.002 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.937 5.708 -10.958 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.473 6.975 -10.487 1.00 0.00 C ATOM 1287 C GLU A 88 -2.526 6.735 -9.403 1.00 0.00 C ATOM 1288 O GLU A 88 -2.312 7.071 -8.240 1.00 0.00 O ATOM 1289 CB GLU A 88 -2.054 7.788 -11.646 1.00 0.00 C ATOM 1290 CG GLU A 88 -1.047 8.826 -12.146 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.689 10.211 -12.240 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.265 10.641 -11.218 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.589 10.810 -13.333 1.00 0.00 O ATOM 0 H GLU A 88 -0.900 5.611 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.658 7.554 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.329 7.120 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.967 8.288 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.192 8.863 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.669 8.529 -13.124 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.641 6.155 -9.824 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.727 5.866 -8.904 1.00 0.00 C ATOM 1302 C GLU A 89 -4.172 5.396 -7.557 1.00 0.00 C ATOM 1303 O GLU A 89 -4.232 6.127 -6.570 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.685 4.828 -9.494 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.609 5.463 -10.535 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.896 4.651 -10.694 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.805 3.555 -11.289 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.940 5.145 -10.217 1.00 0.00 O ATOM 0 H GLU A 89 -3.815 5.878 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.293 6.784 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.114 4.021 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.281 4.383 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.853 6.483 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.094 5.526 -11.493 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.645 4.181 -7.562 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.079 3.606 -6.354 1.00 0.00 C ATOM 1317 C VAL A 90 -2.319 4.689 -5.586 1.00 0.00 C ATOM 1318 O VAL A 90 -2.475 4.820 -4.373 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.207 2.399 -6.706 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.620 1.760 -5.447 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.993 1.376 -7.527 1.00 0.00 C ATOM 0 H VAL A 90 -3.598 3.579 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.870 3.238 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.377 2.752 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.005 0.905 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.007 2.491 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.429 1.428 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.350 0.528 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.852 1.030 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.338 1.839 -8.451 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.513 5.438 -6.325 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.728 6.506 -5.728 1.00 0.00 C ATOM 1333 C GLN A 91 -1.650 7.572 -5.133 1.00 0.00 C ATOM 1334 O GLN A 91 -1.492 7.958 -3.975 1.00 0.00 O ATOM 1335 CB GLN A 91 0.231 7.118 -6.751 1.00 0.00 C ATOM 1336 CG GLN A 91 1.613 7.349 -6.136 1.00 0.00 C ATOM 1337 CD GLN A 91 1.910 8.844 -6.002 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.102 9.624 -5.525 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.112 9.199 -6.448 1.00 0.00 N ATOM 0 H GLN A 91 -1.387 5.327 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.127 6.084 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.319 6.457 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.173 8.063 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.663 6.875 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.375 6.877 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.740 8.495 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.405 10.175 -6.402 1.00 0.00 H new ATOM 1348 N SER A 92 -2.591 8.020 -5.951 1.00 0.00 N ATOM 1349 CA SER A 92 -3.537 9.034 -5.520 1.00 0.00 C ATOM 1350 C SER A 92 -4.295 8.551 -4.282 1.00 0.00 C ATOM 1351 O SER A 92 -4.708 9.356 -3.449 1.00 0.00 O ATOM 1352 CB SER A 92 -4.519 9.384 -6.641 1.00 0.00 C ATOM 1353 OG SER A 92 -5.084 10.680 -6.470 1.00 0.00 O ATOM 0 H SER A 92 -2.718 7.699 -6.911 1.00 0.00 H new ATOM 0 HA SER A 92 -2.979 9.936 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.005 9.336 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.317 8.642 -6.669 1.00 0.00 H new ATOM 0 HG SER A 92 -5.704 10.866 -7.206 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.454 7.239 -4.200 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.154 6.638 -3.077 1.00 0.00 C ATOM 1361 C ILE A 93 -4.235 6.629 -1.854 1.00 0.00 C ATOM 1362 O ILE A 93 -4.560 7.218 -0.824 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.689 5.255 -3.456 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.614 5.339 -4.671 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -6.370 4.585 -2.261 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -6.969 3.943 -5.187 1.00 0.00 C ATOM 0 H ILE A 93 -4.110 6.574 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.030 7.231 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.844 4.627 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.525 5.874 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.130 5.911 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.741 3.604 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.651 4.471 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.203 5.202 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.628 4.031 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.058 3.420 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.475 3.382 -4.401 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.106 5.953 -2.008 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.137 5.859 -0.929 1.00 0.00 C ATOM 1380 C ILE A 94 -1.688 7.266 -0.528 1.00 0.00 C ATOM 1381 O ILE A 94 -1.375 7.513 0.635 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.984 4.934 -1.323 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -0.309 5.417 -2.608 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -1.458 3.483 -1.434 1.00 0.00 C ATOM 1385 CD1 ILE A 94 0.255 4.240 -3.408 1.00 0.00 C ATOM 0 H ILE A 94 -2.840 5.465 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.591 5.406 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.234 4.967 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.029 5.964 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.494 6.112 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.619 2.847 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.856 3.156 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.238 3.412 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.729 4.611 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.992 3.710 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.554 3.559 -3.673 1.00 0.00 H new ATOM 1397 N SER A 95 -1.671 8.150 -1.515 1.00 0.00 N ATOM 1398 CA SER A 95 -1.265 9.525 -1.280 1.00 0.00 C ATOM 1399 C SER A 95 -2.284 10.225 -0.379 1.00 0.00 C ATOM 1400 O SER A 95 -3.463 9.871 -0.376 1.00 0.00 O ATOM 1401 CB SER A 95 -1.110 10.286 -2.598 1.00 0.00 C ATOM 1402 OG SER A 95 -0.608 11.605 -2.397 1.00 0.00 O ATOM 0 H SER A 95 -1.932 7.941 -2.479 1.00 0.00 H new ATOM 0 HA SER A 95 -0.296 9.515 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.436 9.738 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.075 10.338 -3.102 1.00 0.00 H new ATOM 0 HG SER A 95 -0.522 12.057 -3.262 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.794 11.206 0.364 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.648 11.959 1.268 1.00 0.00 C ATOM 1410 C GLN A 96 -3.157 11.055 2.392 1.00 0.00 C ATOM 1411 O GLN A 96 -2.579 10.002 2.658 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.812 12.603 0.512 1.00 0.00 C ATOM 1413 CG GLN A 96 -3.874 14.108 0.779 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.216 14.690 0.330 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.253 14.052 0.399 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -5.137 15.935 -0.133 1.00 0.00 N ATOM 0 H GLN A 96 -0.816 11.497 0.359 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.058 12.761 1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.699 12.424 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.750 12.137 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.728 14.299 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.062 14.608 0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.236 16.412 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.978 16.413 -0.458 1.00 0.00 H new ATOM 1425 N GLN A 97 -4.233 11.501 3.025 1.00 0.00 N ATOM 1426 CA GLN A 97 -4.826 10.746 4.116 1.00 0.00 C ATOM 1427 C GLN A 97 -3.979 10.889 5.382 1.00 0.00 C ATOM 1428 O GLN A 97 -3.739 9.909 6.086 1.00 0.00 O ATOM 1429 CB GLN A 97 -4.998 9.275 3.734 1.00 0.00 C ATOM 1430 CG GLN A 97 -6.012 8.586 4.649 1.00 0.00 C ATOM 1431 CD GLN A 97 -7.436 8.749 4.112 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -7.736 8.432 2.973 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -8.292 9.258 4.993 1.00 0.00 N ATOM 0 H GLN A 97 -4.709 12.375 2.803 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.817 11.153 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.329 9.201 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.038 8.764 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.770 7.526 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.947 9.008 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.974 9.502 5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.267 9.405 4.731 1.00 0.00 H new ATOM 1442 N SER A 98 -3.549 12.117 5.633 1.00 0.00 N ATOM 1443 CA SER A 98 -2.734 12.400 6.802 1.00 0.00 C ATOM 1444 C SER A 98 -1.474 11.532 6.784 1.00 0.00 C ATOM 1445 O SER A 98 -1.200 10.849 5.798 1.00 0.00 O ATOM 1446 CB SER A 98 -3.522 12.165 8.093 1.00 0.00 C ATOM 1447 OG SER A 98 -4.015 13.382 8.646 1.00 0.00 O ATOM 0 H SER A 98 -3.750 12.927 5.047 1.00 0.00 H new ATOM 0 HA SER A 98 -2.445 13.450 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.357 11.494 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.883 11.668 8.823 1.00 0.00 H new ATOM 0 HG SER A 98 -4.513 13.190 9.468 1.00 0.00 H new ATOM 1453 N GLY A 99 -0.741 11.587 7.886 1.00 0.00 N ATOM 1454 CA GLY A 99 0.483 10.814 8.009 1.00 0.00 C ATOM 1455 C GLY A 99 0.185 9.314 8.041 1.00 0.00 C ATOM 1456 O GLY A 99 0.272 8.638 7.018 1.00 0.00 O ATOM 0 H GLY A 99 -0.971 12.155 8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.145 11.039 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.010 11.103 8.919 1.00 0.00 H new ATOM 1460 N GLU A 100 -0.161 8.838 9.228 1.00 0.00 N ATOM 1461 CA GLU A 100 -0.474 7.429 9.407 1.00 0.00 C ATOM 1462 C GLU A 100 -1.382 6.939 8.278 1.00 0.00 C ATOM 1463 O GLU A 100 -1.977 7.744 7.561 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.115 7.180 10.773 1.00 0.00 C ATOM 1465 CG GLU A 100 -2.471 7.879 10.879 1.00 0.00 C ATOM 1466 CD GLU A 100 -2.298 9.360 11.225 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.050 10.138 10.279 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -2.419 9.680 12.427 1.00 0.00 O ATOM 0 H GLU A 100 -0.232 9.402 10.075 1.00 0.00 H new ATOM 0 HA GLU A 100 0.456 6.863 9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.241 6.109 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.453 7.541 11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.009 7.782 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.077 7.392 11.643 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.462 5.623 8.154 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.288 5.016 7.124 1.00 0.00 C ATOM 1477 C ALA A 101 -2.312 3.499 7.323 1.00 0.00 C ATOM 1478 O ALA A 101 -1.463 2.948 8.021 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.760 5.415 5.745 1.00 0.00 C ATOM 0 H ALA A 101 -0.968 4.959 8.750 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.315 5.374 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.380 4.960 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.792 6.500 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.732 5.070 5.635 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.295 2.869 6.698 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.441 1.426 6.798 1.00 0.00 C ATOM 1487 C GLU A 102 -3.175 0.771 5.441 1.00 0.00 C ATOM 1488 O GLU A 102 -3.642 1.256 4.411 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.826 1.051 7.327 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.722 0.297 8.654 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.071 -0.305 9.051 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.487 -1.265 8.367 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.656 0.208 10.030 1.00 0.00 O ATOM 0 H GLU A 102 -3.998 3.330 6.121 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.704 1.053 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.423 1.953 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.344 0.433 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.978 -0.495 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.378 0.975 9.435 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.426 -0.321 5.484 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.092 -1.048 4.270 1.00 0.00 C ATOM 1502 C ILE A 103 -2.462 -2.523 4.447 1.00 0.00 C ATOM 1503 O ILE A 103 -2.326 -3.074 5.538 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.627 -0.821 3.896 1.00 0.00 C ATOM 1505 CG1 ILE A 103 -0.357 -1.255 2.454 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.306 -1.518 4.889 1.00 0.00 C ATOM 1507 CD1 ILE A 103 0.698 -0.359 1.801 1.00 0.00 C ATOM 0 H ILE A 103 -2.041 -0.720 6.340 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.673 -0.672 3.428 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.420 0.247 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.019 -2.291 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.282 -1.213 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.342 -1.341 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.135 -1.121 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.106 -2.590 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.872 -0.689 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.346 0.673 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.629 -0.422 2.365 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.922 -3.119 3.357 1.00 0.00 N ATOM 1520 CA CYS A 104 -3.311 -4.519 3.377 1.00 0.00 C ATOM 1521 C CYS A 104 -2.520 -5.254 2.293 1.00 0.00 C ATOM 1522 O CYS A 104 -2.897 -5.232 1.122 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.821 -4.688 3.196 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.267 -6.462 3.282 1.00 0.00 S ATOM 0 H CYS A 104 -3.034 -2.658 2.454 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.077 -4.950 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.353 -4.133 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -5.129 -4.273 2.236 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.551 -6.594 3.129 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.438 -5.886 2.721 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.591 -6.625 1.802 1.00 0.00 C ATOM 1532 C VAL A 105 -0.709 -8.123 2.096 1.00 0.00 C ATOM 1533 O VAL A 105 -1.194 -8.513 3.158 1.00 0.00 O ATOM 1534 CB VAL A 105 0.848 -6.112 1.887 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.130 -5.497 3.260 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.847 -7.227 1.571 1.00 0.00 C ATOM 0 H VAL A 105 -1.128 -5.901 3.693 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.918 -6.468 0.774 1.00 0.00 H new ATOM 0 HB VAL A 105 0.970 -5.330 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.159 -5.140 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.451 -4.662 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.981 -6.250 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.862 -6.836 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.723 -8.040 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.668 -7.601 0.563 1.00 0.00 H new ATOM 1546 N ARG A 106 -0.261 -8.920 1.138 1.00 0.00 N ATOM 1547 CA ARG A 106 -0.311 -10.365 1.282 1.00 0.00 C ATOM 1548 C ARG A 106 1.002 -10.886 1.870 1.00 0.00 C ATOM 1549 O ARG A 106 2.058 -10.290 1.666 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.563 -11.044 -0.066 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.778 -12.548 0.110 1.00 0.00 C ATOM 1552 CD ARG A 106 -1.021 -13.229 -1.239 1.00 0.00 C ATOM 1553 NE ARG A 106 -0.881 -14.695 -1.099 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.379 -15.584 -1.969 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.053 -15.161 -3.047 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -1.204 -16.896 -1.761 1.00 0.00 N ATOM 0 H ARG A 106 0.139 -8.593 0.258 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.134 -10.603 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.438 -10.601 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.284 -10.869 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.094 -12.990 0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.629 -12.723 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.018 -12.984 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.310 -12.856 -1.977 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.373 -15.051 -0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.187 -14.162 -3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.432 -15.838 -3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.692 -17.218 -0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.583 -17.572 -2.424 1.00 0.00 H new ATOM 1570 N LEU A 107 0.892 -11.993 2.590 1.00 0.00 N ATOM 1571 CA LEU A 107 2.057 -12.601 3.210 1.00 0.00 C ATOM 1572 C LEU A 107 2.883 -13.317 2.140 1.00 0.00 C ATOM 1573 O LEU A 107 3.913 -12.808 1.700 1.00 0.00 O ATOM 1574 CB LEU A 107 1.636 -13.505 4.371 1.00 0.00 C ATOM 1575 CG LEU A 107 1.520 -12.829 5.738 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.026 -13.818 6.797 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.842 -12.173 6.140 1.00 0.00 C ATOM 0 H LEU A 107 0.014 -12.485 2.758 1.00 0.00 H new ATOM 0 HA LEU A 107 2.698 -11.836 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.673 -13.953 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.355 -14.320 4.450 1.00 0.00 H new ATOM 0 HG LEU A 107 0.777 -12.035 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.952 -13.313 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.046 -14.198 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.728 -14.648 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.731 -11.700 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.624 -12.931 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.114 -11.420 5.400 1.00 0.00 H new ATOM 1589 N ASP A 108 2.401 -14.489 1.752 1.00 0.00 N ATOM 1590 CA ASP A 108 3.081 -15.282 0.742 1.00 0.00 C ATOM 1591 C ASP A 108 2.891 -14.626 -0.627 1.00 0.00 C ATOM 1592 O ASP A 108 1.903 -14.887 -1.313 1.00 0.00 O ATOM 1593 CB ASP A 108 2.506 -16.697 0.672 1.00 0.00 C ATOM 1594 CG ASP A 108 3.514 -17.819 0.935 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.553 -17.512 1.558 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.222 -18.956 0.506 1.00 0.00 O ATOM 0 H ASP A 108 1.547 -14.909 2.119 1.00 0.00 H new ATOM 0 HA ASP A 108 4.136 -15.335 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.696 -16.780 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.068 -16.847 -0.315 1.00 0.00 H new ATOM 1601 N LEU A 109 3.852 -13.788 -0.986 1.00 0.00 N ATOM 1602 CA LEU A 109 3.803 -13.093 -2.261 1.00 0.00 C ATOM 1603 C LEU A 109 5.044 -12.208 -2.403 1.00 0.00 C ATOM 1604 O LEU A 109 5.313 -11.369 -1.544 1.00 0.00 O ATOM 1605 CB LEU A 109 2.484 -12.333 -2.406 1.00 0.00 C ATOM 1606 CG LEU A 109 1.799 -12.431 -3.770 1.00 0.00 C ATOM 1607 CD1 LEU A 109 2.717 -11.922 -4.883 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.311 -13.857 -4.037 1.00 0.00 C ATOM 0 H LEU A 109 4.670 -13.574 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 109 3.825 -13.806 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.792 -12.698 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.668 -11.281 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 109 0.920 -11.786 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.205 -12.003 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.973 -10.879 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.628 -12.521 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.828 -13.899 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.160 -14.541 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.597 -14.148 -3.266 1.00 0.00 H new ATOM 1620 N ASN A 110 5.764 -12.425 -3.493 1.00 0.00 N ATOM 1621 CA ASN A 110 6.968 -11.656 -3.759 1.00 0.00 C ATOM 1622 C ASN A 110 6.789 -10.865 -5.056 1.00 0.00 C ATOM 1623 O ASN A 110 5.995 -11.247 -5.915 1.00 0.00 O ATOM 1624 CB ASN A 110 8.181 -12.574 -3.929 1.00 0.00 C ATOM 1625 CG ASN A 110 7.894 -13.679 -4.947 1.00 0.00 C ATOM 1626 OD1 ASN A 110 6.800 -14.212 -5.033 1.00 0.00 O ATOM 1627 ND2 ASN A 110 8.934 -13.990 -5.715 1.00 0.00 N ATOM 0 H ASN A 110 5.537 -13.122 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 110 7.135 -10.989 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.041 -11.989 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.443 -13.018 -2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.843 -14.714 -6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.823 -13.505 -5.591 1.00 0.00 H new ATOM 1634 N MET A 111 7.539 -9.778 -5.158 1.00 0.00 N ATOM 1635 CA MET A 111 7.472 -8.931 -6.336 1.00 0.00 C ATOM 1636 C MET A 111 8.810 -8.230 -6.584 1.00 0.00 C ATOM 1637 O MET A 111 9.207 -7.354 -5.817 1.00 0.00 O ATOM 1638 CB MET A 111 6.373 -7.882 -6.149 1.00 0.00 C ATOM 1639 CG MET A 111 5.014 -8.427 -6.595 1.00 0.00 C ATOM 1640 SD MET A 111 4.338 -7.397 -7.887 1.00 0.00 S ATOM 1641 CE MET A 111 2.597 -7.557 -7.532 1.00 0.00 C ATOM 0 H MET A 111 8.196 -9.464 -4.444 1.00 0.00 H new ATOM 0 HA MET A 111 7.246 -9.558 -7.199 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.324 -7.584 -5.102 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.617 -6.988 -6.723 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.123 -9.450 -6.954 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.329 -8.458 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.019 -7.091 -8.330 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.335 -8.613 -7.463 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.372 -7.065 -6.586 1.00 0.00 H new