USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 789 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 17 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.1!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 146:sc= 0.0203 (180deg=0) USER MOD Set 2.1: A 66 GLN : amide:sc= -2.41! K(o=-1.4!,f=-0.098) USER MOD Set 2.2: A 68 THR OG1 : rot -40:sc= 1.01 USER MOD Set 3.1: A 63 ASN : amide:sc= -0.887 X(o=-2.4,f=-2.7!) USER MOD Set 3.2: A 79 GLN : amide:sc= -1.47! K(o=-2.4!,f=-1.6) USER MOD Set 4.1: A 40 THR OG1 : rot -90:sc= 1.51 USER MOD Set 4.2: A 42 GLN : amide:sc= 0.974 K(o=2.5,f=1.6) USER MOD Single : A 13 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.25) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0174) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00437 K(o=-0.0044,f=-0.52) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 175:sc= 0 (180deg=-0.0423) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -107:sc= 0.143 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.966 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 1.19 (180deg=0.945) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -143:sc= 0.902 (180deg=0.473) USER MOD Single : A 111 GLN : amide:sc= -0.947! K(o=-0.95!,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 11.573 -1.130 7.112 1.00 3.85 N ATOM 109 CA ARG A 9 10.163 -1.137 6.776 1.00 3.14 C ATOM 110 C ARG A 9 9.527 0.228 7.004 1.00 2.98 C ATOM 111 O ARG A 9 8.806 0.450 7.979 1.00 3.23 O ATOM 112 CB ARG A 9 9.452 -2.250 7.547 1.00 2.97 C ATOM 113 CG ARG A 9 10.029 -3.617 7.200 1.00 3.11 C ATOM 114 CD ARG A 9 9.234 -4.765 7.789 1.00 3.35 C ATOM 115 NE ARG A 9 9.333 -5.960 6.956 1.00 3.78 N ATOM 116 CZ ARG A 9 8.872 -7.151 7.319 1.00 4.27 C ATOM 117 NH1 ARG A 9 8.758 -7.422 8.608 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.975 -8.162 6.476 1.00 4.95 N ATOM 0 HA ARG A 9 10.055 -1.345 5.712 1.00 3.14 H new ATOM 0 HB2 ARG A 9 9.549 -2.073 8.618 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.387 -2.233 7.316 1.00 2.97 H new ATOM 0 HG2 ARG A 9 10.064 -3.725 6.116 1.00 3.11 H new ATOM 0 HG3 ARG A 9 11.057 -3.673 7.559 1.00 3.11 H new ATOM 0 HD2 ARG A 9 9.599 -4.987 8.792 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.188 -4.473 7.888 1.00 3.35 H new ATOM 0 HE ARG A 9 9.782 -5.875 6.044 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.022 -6.722 9.302 1.00 4.46 H new ATOM 0 HH12 ARG A 9 8.406 -8.331 8.909 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.404 -8.022 5.561 1.00 4.95 H new ATOM 0 HH22 ARG A 9 8.626 -9.083 6.740 1.00 4.95 H new ATOM 132 N ILE A 10 9.799 1.123 6.058 1.00 2.78 N ATOM 133 CA ILE A 10 9.263 2.476 6.076 1.00 2.70 C ATOM 134 C ILE A 10 7.745 2.418 5.919 1.00 2.20 C ATOM 135 O ILE A 10 7.220 1.466 5.340 1.00 2.49 O ATOM 136 CB ILE A 10 9.916 3.346 4.971 1.00 2.80 C ATOM 137 CG1 ILE A 10 9.418 4.795 5.033 1.00 2.80 C ATOM 138 CG2 ILE A 10 9.692 2.763 3.578 1.00 2.55 C ATOM 139 CD1 ILE A 10 9.764 5.496 6.329 1.00 3.25 C ATOM 0 H ILE A 10 10.399 0.927 5.257 1.00 2.78 H new ATOM 0 HA ILE A 10 9.499 2.945 7.031 1.00 2.70 H new ATOM 0 HB ILE A 10 10.989 3.344 5.163 1.00 2.80 H new ATOM 0 HG12 ILE A 10 9.846 5.354 4.201 1.00 2.80 H new ATOM 0 HG13 ILE A 10 8.336 4.805 4.901 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.166 3.404 2.835 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.127 1.765 3.527 1.00 2.55 H new ATOM 0 HG23 ILE A 10 8.622 2.703 3.376 1.00 2.55 H new ATOM 0 HD11 ILE A 10 9.382 6.516 6.304 1.00 3.25 H new ATOM 0 HD12 ILE A 10 9.313 4.960 7.164 1.00 3.25 H new ATOM 0 HD13 ILE A 10 10.847 5.517 6.453 1.00 3.25 H new ATOM 151 N ILE A 11 7.047 3.399 6.482 1.00 1.98 N ATOM 152 CA ILE A 11 5.592 3.436 6.460 1.00 1.56 C ATOM 153 C ILE A 11 5.061 2.226 7.250 1.00 1.31 C ATOM 154 O ILE A 11 5.332 2.102 8.451 1.00 1.71 O ATOM 155 CB ILE A 11 4.992 3.480 5.016 1.00 1.37 C ATOM 156 CG1 ILE A 11 5.601 4.623 4.199 1.00 1.94 C ATOM 157 CG2 ILE A 11 3.480 3.658 5.061 1.00 1.05 C ATOM 158 CD1 ILE A 11 5.026 4.726 2.808 1.00 2.05 C ATOM 0 H ILE A 11 7.475 4.189 6.965 1.00 1.98 H new ATOM 0 HA ILE A 11 5.270 4.366 6.929 1.00 1.56 H new ATOM 0 HB ILE A 11 5.233 2.530 4.539 1.00 1.37 H new ATOM 0 HG12 ILE A 11 5.438 5.564 4.724 1.00 1.94 H new ATOM 0 HG13 ILE A 11 6.679 4.479 4.131 1.00 1.94 H new ATOM 0 HG21 ILE A 11 3.086 3.686 4.045 1.00 1.05 H new ATOM 0 HG22 ILE A 11 3.031 2.824 5.601 1.00 1.05 H new ATOM 0 HG23 ILE A 11 3.239 4.592 5.569 1.00 1.05 H new ATOM 0 HD11 ILE A 11 5.498 5.554 2.280 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.212 3.798 2.268 1.00 2.05 H new ATOM 0 HD13 ILE A 11 3.952 4.900 2.870 1.00 2.05 H new ATOM 170 N ARG A 12 4.329 1.337 6.590 1.00 0.96 N ATOM 171 CA ARG A 12 3.788 0.147 7.242 1.00 1.02 C ATOM 172 C ARG A 12 3.315 -0.880 6.217 1.00 0.77 C ATOM 173 O ARG A 12 3.286 -0.617 5.014 1.00 0.91 O ATOM 174 CB ARG A 12 2.628 0.521 8.169 1.00 1.53 C ATOM 175 CG ARG A 12 2.529 -0.318 9.434 1.00 2.10 C ATOM 176 CD ARG A 12 3.725 -0.091 10.350 1.00 2.67 C ATOM 177 NE ARG A 12 3.671 -0.914 11.561 1.00 3.29 N ATOM 178 CZ ARG A 12 4.560 -0.840 12.548 1.00 3.98 C ATOM 179 NH1 ARG A 12 5.460 0.127 12.551 1.00 4.30 N ATOM 180 NH2 ARG A 12 4.435 -1.619 13.610 1.00 4.72 N ATOM 0 H ARG A 12 4.095 1.417 5.600 1.00 0.96 H new ATOM 0 HA ARG A 12 4.590 -0.297 7.832 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.730 1.569 8.451 1.00 1.53 H new ATOM 0 HB3 ARG A 12 1.694 0.430 7.615 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.610 -0.070 9.965 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.468 -1.373 9.168 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.643 -0.313 9.805 1.00 2.67 H new ATOM 0 HD3 ARG A 12 3.768 0.961 10.632 1.00 2.67 H new ATOM 0 HE ARG A 12 2.907 -1.583 11.653 1.00 3.29 H new ATOM 0 HH11 ARG A 12 5.472 0.815 11.798 1.00 4.30 H new ATOM 0 HH12 ARG A 12 6.143 0.186 13.307 1.00 4.30 H new ATOM 0 HH21 ARG A 12 3.657 -2.276 13.672 1.00 4.72 H new ATOM 0 HH22 ARG A 12 5.116 -1.563 14.367 1.00 4.72 H new ATOM 194 N HIS A 13 2.911 -2.030 6.722 1.00 0.70 N ATOM 195 CA HIS A 13 2.392 -3.107 5.909 1.00 0.68 C ATOM 196 C HIS A 13 1.025 -3.487 6.466 1.00 0.74 C ATOM 197 O HIS A 13 0.896 -3.751 7.663 1.00 1.04 O ATOM 198 CB HIS A 13 3.354 -4.314 5.912 1.00 0.93 C ATOM 199 CG HIS A 13 3.639 -4.906 7.266 1.00 1.07 C ATOM 200 ND1 HIS A 13 4.461 -4.314 8.206 1.00 1.69 N ATOM 201 CD2 HIS A 13 3.194 -6.053 7.833 1.00 1.46 C ATOM 202 CE1 HIS A 13 4.504 -5.075 9.286 1.00 1.98 C ATOM 203 NE2 HIS A 13 3.745 -6.131 9.082 1.00 1.80 N ATOM 0 H HIS A 13 2.935 -2.242 7.719 1.00 0.70 H new ATOM 0 HA HIS A 13 2.297 -2.787 4.871 1.00 0.68 H new ATOM 0 HB2 HIS A 13 2.936 -5.093 5.274 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.298 -4.006 5.462 1.00 0.93 H new ATOM 0 HD2 HIS A 13 2.527 -6.773 7.382 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.067 -4.866 10.184 1.00 1.98 H new ATOM 0 HE2 HIS A 13 3.592 -6.887 9.749 1.00 1.80 H new ATOM 212 N ASP A 14 0.003 -3.465 5.630 1.00 0.60 N ATOM 213 CA ASP A 14 -1.345 -3.771 6.089 1.00 0.69 C ATOM 214 C ASP A 14 -1.942 -4.935 5.287 1.00 0.61 C ATOM 215 O ASP A 14 -1.230 -5.609 4.537 1.00 0.86 O ATOM 216 CB ASP A 14 -2.224 -2.518 5.994 1.00 0.83 C ATOM 217 CG ASP A 14 -3.351 -2.525 7.020 1.00 1.31 C ATOM 218 OD1 ASP A 14 -4.309 -3.313 6.872 1.00 2.03 O ATOM 219 OD2 ASP A 14 -3.266 -1.770 8.004 1.00 1.78 O ATOM 0 H ASP A 14 0.076 -3.241 4.638 1.00 0.60 H new ATOM 0 HA ASP A 14 -1.302 -4.083 7.133 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.607 -1.632 6.141 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.648 -2.449 4.992 1.00 0.83 H new ATOM 224 N ALA A 15 -3.236 -5.170 5.450 1.00 0.75 N ATOM 225 CA ALA A 15 -3.932 -6.241 4.755 1.00 0.71 C ATOM 226 C ALA A 15 -5.401 -5.881 4.550 1.00 0.68 C ATOM 227 O ALA A 15 -6.091 -5.486 5.493 1.00 0.88 O ATOM 228 CB ALA A 15 -3.814 -7.541 5.535 1.00 0.84 C ATOM 0 H ALA A 15 -3.833 -4.622 6.069 1.00 0.75 H new ATOM 0 HA ALA A 15 -3.468 -6.375 3.778 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -4.340 -8.334 5.003 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.763 -7.809 5.639 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -4.255 -7.413 6.524 1.00 0.84 H new ATOM 234 N PHE A 16 -5.870 -6.014 3.318 1.00 0.60 N ATOM 235 CA PHE A 16 -7.254 -5.704 2.971 1.00 0.67 C ATOM 236 C PHE A 16 -7.789 -6.726 1.980 1.00 0.68 C ATOM 237 O PHE A 16 -7.025 -7.354 1.258 1.00 1.00 O ATOM 238 CB PHE A 16 -7.349 -4.306 2.350 1.00 0.77 C ATOM 239 CG PHE A 16 -6.937 -3.203 3.279 1.00 1.09 C ATOM 240 CD1 PHE A 16 -7.685 -2.918 4.403 1.00 1.83 C ATOM 241 CD2 PHE A 16 -5.804 -2.453 3.025 1.00 1.74 C ATOM 242 CE1 PHE A 16 -7.314 -1.903 5.263 1.00 2.36 C ATOM 243 CE2 PHE A 16 -5.426 -1.435 3.880 1.00 2.26 C ATOM 244 CZ PHE A 16 -6.183 -1.157 4.999 1.00 2.35 C ATOM 0 H PHE A 16 -5.307 -6.338 2.532 1.00 0.60 H new ATOM 0 HA PHE A 16 -7.849 -5.735 3.884 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -6.723 -4.271 1.459 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -8.375 -4.131 2.026 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -8.573 -3.496 4.613 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -5.208 -2.665 2.150 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -7.908 -1.693 6.140 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -4.538 -0.857 3.672 1.00 2.26 H new ATOM 0 HZ PHE A 16 -5.892 -0.359 5.666 1.00 2.35 H new ATOM 254 N GLN A 17 -9.102 -6.857 1.939 1.00 0.59 N ATOM 255 CA GLN A 17 -9.772 -7.762 1.018 1.00 0.60 C ATOM 256 C GLN A 17 -10.975 -7.026 0.471 1.00 0.64 C ATOM 257 O GLN A 17 -12.116 -7.251 0.883 1.00 0.95 O ATOM 258 CB GLN A 17 -10.194 -9.063 1.699 1.00 0.74 C ATOM 259 CG GLN A 17 -10.754 -10.082 0.724 1.00 1.07 C ATOM 260 CD GLN A 17 -11.015 -11.428 1.359 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.806 -11.552 2.292 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.339 -12.447 0.858 1.00 1.63 N ATOM 0 H GLN A 17 -9.738 -6.338 2.545 1.00 0.59 H new ATOM 0 HA GLN A 17 -9.090 -8.049 0.218 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.335 -9.493 2.214 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.944 -8.843 2.459 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.683 -9.700 0.302 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.055 -10.207 -0.103 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -9.693 -12.299 0.083 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.464 -13.382 1.246 1.00 1.63 H new ATOM 271 N VAL A 18 -10.690 -6.084 -0.405 1.00 0.51 N ATOM 272 CA VAL A 18 -11.709 -5.226 -0.970 1.00 0.59 C ATOM 273 C VAL A 18 -11.507 -4.973 -2.453 1.00 0.60 C ATOM 274 O VAL A 18 -10.474 -5.278 -3.026 1.00 1.04 O ATOM 275 CB VAL A 18 -11.736 -3.880 -0.225 1.00 0.83 C ATOM 276 CG1 VAL A 18 -12.571 -3.982 1.039 1.00 1.24 C ATOM 277 CG2 VAL A 18 -10.322 -3.446 0.108 1.00 0.84 C ATOM 0 H VAL A 18 -9.747 -5.893 -0.744 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.660 -5.746 -0.851 1.00 0.59 H new ATOM 0 HB VAL A 18 -12.193 -3.132 -0.873 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -12.576 -3.019 1.550 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -13.592 -4.261 0.779 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -12.145 -4.739 1.697 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -10.349 -2.492 0.635 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.850 -4.198 0.741 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -9.749 -3.336 -0.813 1.00 0.84 H new ATOM 287 N TRP A 19 -12.556 -4.459 -3.045 1.00 0.63 N ATOM 288 CA TRP A 19 -12.641 -4.159 -4.463 1.00 0.65 C ATOM 289 C TRP A 19 -11.453 -3.345 -4.991 1.00 0.68 C ATOM 290 O TRP A 19 -11.343 -2.133 -4.770 1.00 1.04 O ATOM 291 CB TRP A 19 -13.954 -3.421 -4.688 1.00 0.72 C ATOM 292 CG TRP A 19 -15.068 -4.003 -3.864 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.915 -5.007 -4.226 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.403 -3.671 -2.506 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.796 -5.273 -3.211 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.501 -4.472 -2.145 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.903 -2.755 -1.570 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -17.094 -4.400 -0.890 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.494 -2.690 -0.325 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.585 -3.502 0.001 1.00 0.96 C ATOM 0 H TRP A 19 -13.410 -4.227 -2.538 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.607 -5.093 -5.023 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.827 -2.368 -4.436 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.221 -3.466 -5.744 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.895 -5.519 -5.176 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.550 -5.959 -3.246 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -14.071 -2.113 -1.819 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.929 -5.033 -0.630 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -15.107 -2.000 0.411 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -17.034 -3.416 0.979 1.00 0.96 H new ATOM 311 N GLU A 20 -10.594 -4.039 -5.720 1.00 0.69 N ATOM 312 CA GLU A 20 -9.426 -3.441 -6.336 1.00 0.77 C ATOM 313 C GLU A 20 -9.648 -3.309 -7.830 1.00 1.18 C ATOM 314 O GLU A 20 -10.009 -4.279 -8.500 1.00 1.81 O ATOM 315 CB GLU A 20 -8.176 -4.265 -6.051 1.00 1.04 C ATOM 316 CG GLU A 20 -7.727 -4.185 -4.602 1.00 1.26 C ATOM 317 CD GLU A 20 -7.715 -5.536 -3.916 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.038 -6.546 -4.581 1.00 2.62 O ATOM 319 OE2 GLU A 20 -7.369 -5.593 -2.720 1.00 2.42 O ATOM 0 H GLU A 20 -10.690 -5.038 -5.901 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.275 -2.450 -5.909 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.368 -5.307 -6.309 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.367 -3.921 -6.695 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -6.728 -3.752 -4.559 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -8.389 -3.512 -4.058 1.00 1.26 H new ATOM 326 N GLY A 21 -9.445 -2.100 -8.347 1.00 1.49 N ATOM 327 CA GLY A 21 -9.638 -1.847 -9.756 1.00 1.95 C ATOM 328 C GLY A 21 -11.002 -2.283 -10.229 1.00 2.05 C ATOM 329 O GLY A 21 -12.019 -2.004 -9.584 1.00 2.48 O ATOM 0 H GLY A 21 -9.148 -1.288 -7.806 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -9.509 -0.783 -9.954 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -8.872 -2.372 -10.326 1.00 1.95 H new ATOM 333 N ASP A 22 -11.018 -2.995 -11.334 1.00 2.34 N ATOM 334 CA ASP A 22 -12.251 -3.516 -11.886 1.00 2.75 C ATOM 335 C ASP A 22 -12.206 -5.030 -11.766 1.00 2.43 C ATOM 336 O ASP A 22 -12.747 -5.770 -12.590 1.00 2.85 O ATOM 337 CB ASP A 22 -12.434 -3.073 -13.342 1.00 3.62 C ATOM 338 CG ASP A 22 -13.850 -3.282 -13.847 1.00 4.19 C ATOM 339 OD1 ASP A 22 -14.713 -3.752 -13.071 1.00 4.60 O ATOM 340 OD2 ASP A 22 -14.110 -2.966 -15.026 1.00 4.65 O ATOM 0 H ASP A 22 -10.184 -3.228 -11.873 1.00 2.34 H new ATOM 0 HA ASP A 22 -13.107 -3.125 -11.336 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -12.173 -2.018 -13.432 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -11.742 -3.628 -13.975 1.00 3.62 H new ATOM 345 N GLU A 23 -11.532 -5.475 -10.715 1.00 2.07 N ATOM 346 CA GLU A 23 -11.374 -6.892 -10.434 1.00 2.37 C ATOM 347 C GLU A 23 -12.192 -7.267 -9.193 1.00 1.70 C ATOM 348 O GLU A 23 -12.509 -6.401 -8.371 1.00 1.86 O ATOM 349 CB GLU A 23 -9.894 -7.224 -10.205 1.00 3.34 C ATOM 350 CG GLU A 23 -8.973 -6.772 -11.331 1.00 4.22 C ATOM 351 CD GLU A 23 -8.979 -7.695 -12.536 1.00 5.12 C ATOM 352 OE1 GLU A 23 -9.769 -8.664 -12.563 1.00 5.52 O ATOM 353 OE2 GLU A 23 -8.186 -7.449 -13.466 1.00 5.78 O ATOM 0 H GLU A 23 -11.080 -4.864 -10.035 1.00 2.07 H new ATOM 0 HA GLU A 23 -11.734 -7.466 -11.288 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -9.568 -6.759 -9.275 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -9.790 -8.301 -10.076 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -9.268 -5.772 -11.650 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -7.955 -6.697 -10.947 1.00 4.22 H new ATOM 360 N PRO A 24 -12.537 -8.562 -9.025 1.00 1.42 N ATOM 361 CA PRO A 24 -13.305 -9.024 -7.867 1.00 1.17 C ATOM 362 C PRO A 24 -12.530 -8.793 -6.583 1.00 0.97 C ATOM 363 O PRO A 24 -11.306 -8.917 -6.577 1.00 1.08 O ATOM 364 CB PRO A 24 -13.491 -10.528 -8.105 1.00 1.65 C ATOM 365 CG PRO A 24 -13.149 -10.755 -9.539 1.00 2.09 C ATOM 366 CD PRO A 24 -12.185 -9.669 -9.924 1.00 2.00 C ATOM 0 HA PRO A 24 -14.251 -8.493 -7.764 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -12.843 -11.111 -7.451 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -14.516 -10.834 -7.894 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -12.702 -11.739 -9.680 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -14.043 -10.719 -10.162 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -11.150 -9.984 -9.787 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -12.296 -9.387 -10.971 1.00 2.00 H new ATOM 374 N PRO A 25 -13.220 -8.443 -5.490 1.00 0.88 N ATOM 375 CA PRO A 25 -12.577 -8.185 -4.206 1.00 0.77 C ATOM 376 C PRO A 25 -11.616 -9.307 -3.809 1.00 0.74 C ATOM 377 O PRO A 25 -12.014 -10.455 -3.595 1.00 0.92 O ATOM 378 CB PRO A 25 -13.745 -8.054 -3.223 1.00 0.92 C ATOM 379 CG PRO A 25 -14.973 -8.461 -3.972 1.00 1.08 C ATOM 380 CD PRO A 25 -14.674 -8.259 -5.424 1.00 1.09 C ATOM 0 HA PRO A 25 -11.954 -7.291 -4.229 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.593 -8.691 -2.351 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.833 -7.030 -2.859 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.223 -9.502 -3.769 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.830 -7.861 -3.666 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.201 -8.980 -6.049 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -14.971 -7.267 -5.763 1.00 1.09 H new ATOM 388 N LYS A 26 -10.344 -8.952 -3.758 1.00 0.65 N ATOM 389 CA LYS A 26 -9.291 -9.891 -3.438 1.00 0.73 C ATOM 390 C LYS A 26 -8.540 -9.512 -2.178 1.00 0.66 C ATOM 391 O LYS A 26 -8.454 -8.344 -1.814 1.00 0.88 O ATOM 392 CB LYS A 26 -8.328 -9.988 -4.598 1.00 0.95 C ATOM 393 CG LYS A 26 -8.923 -10.676 -5.802 1.00 1.34 C ATOM 394 CD LYS A 26 -7.958 -10.675 -6.969 1.00 1.42 C ATOM 395 CE LYS A 26 -8.610 -11.228 -8.229 1.00 1.61 C ATOM 396 NZ LYS A 26 -8.944 -12.679 -8.096 1.00 2.20 N ATOM 0 H LYS A 26 -10.015 -8.003 -3.938 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.760 -10.858 -3.256 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.007 -8.986 -4.881 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.438 -10.530 -4.280 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -9.185 -11.702 -5.545 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -9.847 -10.174 -6.091 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.609 -9.659 -7.154 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.081 -11.272 -6.719 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.518 -10.665 -8.444 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -7.939 -11.087 -9.076 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -9.323 -13.032 -8.998 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -8.086 -13.212 -7.849 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.656 -12.804 -7.348 1.00 2.20 H new ATOM 410 N LEU A 27 -8.000 -10.511 -1.508 1.00 0.67 N ATOM 411 CA LEU A 27 -7.252 -10.273 -0.292 1.00 0.65 C ATOM 412 C LEU A 27 -5.849 -9.767 -0.624 1.00 0.67 C ATOM 413 O LEU A 27 -4.892 -10.539 -0.645 1.00 1.02 O ATOM 414 CB LEU A 27 -7.158 -11.558 0.526 1.00 0.76 C ATOM 415 CG LEU A 27 -7.308 -11.379 2.039 1.00 0.93 C ATOM 416 CD1 LEU A 27 -7.258 -12.732 2.738 1.00 1.23 C ATOM 417 CD2 LEU A 27 -6.235 -10.442 2.586 1.00 1.31 C ATOM 0 H LEU A 27 -8.065 -11.491 -1.784 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.772 -9.515 0.294 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.928 -12.248 0.180 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.195 -12.028 0.325 1.00 0.76 H new ATOM 0 HG LEU A 27 -8.278 -10.924 2.238 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -7.366 -12.590 3.813 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -8.069 -13.361 2.372 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -6.303 -13.214 2.530 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -6.363 -10.331 3.663 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -5.249 -10.858 2.379 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -6.325 -9.467 2.108 1.00 1.31 H new ATOM 429 N ARG A 28 -5.714 -8.481 -0.886 1.00 0.57 N ATOM 430 CA ARG A 28 -4.413 -7.929 -1.207 1.00 0.59 C ATOM 431 C ARG A 28 -3.695 -7.428 0.035 1.00 0.55 C ATOM 432 O ARG A 28 -4.129 -6.470 0.678 1.00 0.64 O ATOM 433 CB ARG A 28 -4.521 -6.781 -2.206 1.00 0.71 C ATOM 434 CG ARG A 28 -4.583 -7.221 -3.667 1.00 1.41 C ATOM 435 CD ARG A 28 -4.536 -6.027 -4.616 1.00 1.72 C ATOM 436 NE ARG A 28 -4.359 -6.413 -6.023 1.00 1.97 N ATOM 437 CZ ARG A 28 -5.287 -7.007 -6.777 1.00 2.42 C ATOM 438 NH1 ARG A 28 -6.347 -7.571 -6.216 1.00 2.77 N ATOM 439 NH2 ARG A 28 -4.997 -7.298 -8.033 1.00 3.18 N ATOM 0 H ARG A 28 -6.479 -7.807 -0.883 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.838 -8.741 -1.652 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.413 -6.198 -1.976 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.665 -6.119 -2.074 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -3.750 -7.890 -3.882 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.499 -7.787 -3.839 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.458 -5.455 -4.516 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -3.719 -5.368 -4.321 1.00 1.72 H new ATOM 0 HE ARG A 28 -3.458 -6.212 -6.457 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.458 -7.553 -5.202 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -7.052 -8.023 -6.798 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -4.078 -7.069 -8.410 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -5.693 -7.752 -8.625 1.00 3.18 H new ATOM 453 N TYR A 29 -2.564 -8.041 0.344 1.00 0.55 N ATOM 454 CA TYR A 29 -1.760 -7.603 1.469 1.00 0.59 C ATOM 455 C TYR A 29 -0.990 -6.372 1.015 1.00 0.55 C ATOM 456 O TYR A 29 0.040 -6.486 0.342 1.00 0.70 O ATOM 457 CB TYR A 29 -0.801 -8.704 1.940 1.00 0.71 C ATOM 458 CG TYR A 29 -1.452 -9.787 2.773 1.00 0.77 C ATOM 459 CD1 TYR A 29 -2.434 -10.615 2.239 1.00 1.38 C ATOM 460 CD2 TYR A 29 -1.079 -9.983 4.096 1.00 1.46 C ATOM 461 CE1 TYR A 29 -3.028 -11.604 3.004 1.00 1.55 C ATOM 462 CE2 TYR A 29 -1.668 -10.967 4.867 1.00 1.63 C ATOM 463 CZ TYR A 29 -2.644 -11.774 4.318 1.00 1.26 C ATOM 464 OH TYR A 29 -3.239 -12.750 5.089 1.00 1.58 O ATOM 0 H TYR A 29 -2.185 -8.839 -0.166 1.00 0.55 H new ATOM 0 HA TYR A 29 -2.400 -7.370 2.320 1.00 0.59 H new ATOM 0 HB2 TYR A 29 -0.338 -9.163 1.067 1.00 0.71 H new ATOM 0 HB3 TYR A 29 -0.001 -8.247 2.522 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.738 -10.484 1.211 1.00 1.38 H new ATOM 0 HD2 TYR A 29 -0.315 -9.355 4.530 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -3.788 -12.239 2.574 1.00 1.55 H new ATOM 0 HE2 TYR A 29 -1.366 -11.104 5.895 1.00 1.63 H new ATOM 0 HH TYR A 29 -2.853 -12.736 5.989 1.00 1.58 H new ATOM 474 N VAL A 30 -1.528 -5.198 1.314 1.00 0.48 N ATOM 475 CA VAL A 30 -0.919 -3.964 0.866 1.00 0.48 C ATOM 476 C VAL A 30 0.176 -3.440 1.796 1.00 0.49 C ATOM 477 O VAL A 30 -0.082 -2.950 2.896 1.00 0.59 O ATOM 478 CB VAL A 30 -1.970 -2.861 0.579 1.00 0.54 C ATOM 479 CG1 VAL A 30 -2.907 -2.649 1.742 1.00 0.65 C ATOM 480 CG2 VAL A 30 -1.269 -1.566 0.201 1.00 0.60 C ATOM 0 H VAL A 30 -2.380 -5.079 1.862 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.429 -4.222 -0.073 1.00 0.48 H new ATOM 0 HB VAL A 30 -2.583 -3.194 -0.259 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -3.625 -1.867 1.493 1.00 0.65 H new ATOM 0 HG12 VAL A 30 -3.439 -3.576 1.954 1.00 0.65 H new ATOM 0 HG13 VAL A 30 -2.335 -2.350 2.620 1.00 0.65 H new ATOM 0 HG21 VAL A 30 -2.013 -0.795 0.000 1.00 0.60 H new ATOM 0 HG22 VAL A 30 -0.627 -1.247 1.022 1.00 0.60 H new ATOM 0 HG23 VAL A 30 -0.664 -1.727 -0.691 1.00 0.60 H new ATOM 490 N PHE A 31 1.406 -3.512 1.295 1.00 0.49 N ATOM 491 CA PHE A 31 2.582 -3.011 1.996 1.00 0.54 C ATOM 492 C PHE A 31 3.047 -1.761 1.258 1.00 0.52 C ATOM 493 O PHE A 31 3.207 -1.798 0.036 1.00 0.56 O ATOM 494 CB PHE A 31 3.731 -4.036 1.981 1.00 0.61 C ATOM 495 CG PHE A 31 3.316 -5.468 2.083 1.00 0.61 C ATOM 496 CD1 PHE A 31 2.582 -5.928 3.160 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.694 -6.361 1.099 1.00 1.44 C ATOM 498 CE1 PHE A 31 2.237 -7.261 3.256 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.349 -7.691 1.185 1.00 1.49 C ATOM 500 CZ PHE A 31 2.618 -8.142 2.263 1.00 0.85 C ATOM 0 H PHE A 31 1.615 -3.923 0.385 1.00 0.49 H new ATOM 0 HA PHE A 31 2.321 -2.809 3.035 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.300 -3.905 1.060 1.00 0.61 H new ATOM 0 HB3 PHE A 31 4.406 -3.812 2.807 1.00 0.61 H new ATOM 0 HD1 PHE A 31 2.276 -5.239 3.933 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.267 -6.012 0.253 1.00 1.44 H new ATOM 0 HE1 PHE A 31 1.671 -7.614 4.105 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.650 -8.380 0.409 1.00 1.49 H new ATOM 0 HZ PHE A 31 2.343 -9.184 2.331 1.00 0.85 H new ATOM 510 N LEU A 32 3.276 -0.662 1.956 1.00 0.57 N ATOM 511 CA LEU A 32 3.732 0.544 1.279 1.00 0.59 C ATOM 512 C LEU A 32 5.111 0.953 1.757 1.00 0.67 C ATOM 513 O LEU A 32 5.424 0.859 2.939 1.00 0.84 O ATOM 514 CB LEU A 32 2.788 1.729 1.473 1.00 0.74 C ATOM 515 CG LEU A 32 1.342 1.510 1.083 1.00 0.98 C ATOM 516 CD1 LEU A 32 0.640 2.849 0.967 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.267 0.760 -0.222 1.00 1.43 C ATOM 0 H LEU A 32 3.158 -0.577 2.966 1.00 0.57 H new ATOM 0 HA LEU A 32 3.757 0.290 0.219 1.00 0.59 H new ATOM 0 HB2 LEU A 32 2.818 2.021 2.523 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.173 2.570 0.897 1.00 0.74 H new ATOM 0 HG LEU A 32 0.846 0.916 1.850 1.00 0.98 H new ATOM 0 HD11 LEU A 32 -0.401 2.691 0.686 1.00 1.10 H new ATOM 0 HD12 LEU A 32 0.683 3.366 1.925 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.133 3.454 0.206 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.223 0.607 -0.494 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.765 1.336 -1.002 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.759 -0.207 -0.115 1.00 1.43 H new ATOM 529 N PHE A 33 5.910 1.445 0.830 1.00 0.75 N ATOM 530 CA PHE A 33 7.245 1.922 1.121 1.00 0.96 C ATOM 531 C PHE A 33 7.379 3.287 0.477 1.00 1.08 C ATOM 532 O PHE A 33 6.731 3.553 -0.534 1.00 1.56 O ATOM 533 CB PHE A 33 8.319 0.954 0.586 1.00 1.17 C ATOM 534 CG PHE A 33 8.421 -0.350 1.344 1.00 1.36 C ATOM 535 CD1 PHE A 33 7.418 -1.305 1.253 1.00 1.79 C ATOM 536 CD2 PHE A 33 9.515 -0.618 2.160 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.502 -2.491 1.954 1.00 2.06 C ATOM 538 CE2 PHE A 33 9.599 -1.808 2.858 1.00 2.28 C ATOM 539 CZ PHE A 33 8.593 -2.740 2.755 1.00 2.01 C ATOM 0 H PHE A 33 5.648 1.525 -0.152 1.00 0.75 H new ATOM 0 HA PHE A 33 7.397 1.985 2.199 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.105 0.736 -0.460 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.287 1.454 0.615 1.00 1.17 H new ATOM 0 HD1 PHE A 33 6.560 -1.117 0.625 1.00 1.79 H new ATOM 0 HD2 PHE A 33 10.307 0.111 2.249 1.00 2.01 H new ATOM 0 HE1 PHE A 33 6.712 -3.223 1.874 1.00 2.06 H new ATOM 0 HE2 PHE A 33 10.456 -2.006 3.485 1.00 2.28 H new ATOM 0 HZ PHE A 33 8.659 -3.668 3.303 1.00 2.01 H new ATOM 549 N ARG A 34 8.182 4.150 1.067 1.00 1.04 N ATOM 550 CA ARG A 34 8.372 5.496 0.551 1.00 1.17 C ATOM 551 C ARG A 34 9.076 5.457 -0.799 1.00 1.03 C ATOM 552 O ARG A 34 10.296 5.598 -0.886 1.00 1.87 O ATOM 553 CB ARG A 34 9.167 6.322 1.551 1.00 1.83 C ATOM 554 CG ARG A 34 9.204 7.805 1.221 1.00 2.51 C ATOM 555 CD ARG A 34 8.746 8.642 2.397 1.00 3.05 C ATOM 556 NE ARG A 34 7.358 8.360 2.744 1.00 3.66 N ATOM 557 CZ ARG A 34 6.839 8.615 3.934 1.00 4.29 C ATOM 558 NH1 ARG A 34 7.575 9.217 4.854 1.00 4.48 N ATOM 559 NH2 ARG A 34 5.557 8.380 4.163 1.00 5.12 N ATOM 0 H ARG A 34 8.718 3.943 1.910 1.00 1.04 H new ATOM 0 HA ARG A 34 7.397 5.962 0.407 1.00 1.17 H new ATOM 0 HB2 ARG A 34 8.736 6.190 2.543 1.00 1.83 H new ATOM 0 HB3 ARG A 34 10.188 5.942 1.594 1.00 1.83 H new ATOM 0 HG2 ARG A 34 10.217 8.092 0.940 1.00 2.51 H new ATOM 0 HG3 ARG A 34 8.566 8.004 0.360 1.00 2.51 H new ATOM 0 HD2 ARG A 34 9.385 8.443 3.257 1.00 3.05 H new ATOM 0 HD3 ARG A 34 8.855 9.700 2.157 1.00 3.05 H new ATOM 0 HE ARG A 34 6.756 7.945 2.033 1.00 3.66 H new ATOM 0 HH11 ARG A 34 8.537 9.482 4.644 1.00 4.48 H new ATOM 0 HH12 ARG A 34 7.180 9.416 5.773 1.00 4.48 H new ATOM 0 HH21 ARG A 34 4.967 8.002 3.422 1.00 5.12 H new ATOM 0 HH22 ARG A 34 5.158 8.577 5.081 1.00 5.12 H new ATOM 573 N ASN A 35 8.278 5.254 -1.834 1.00 0.98 N ATOM 574 CA ASN A 35 8.747 5.174 -3.206 1.00 1.38 C ATOM 575 C ASN A 35 7.571 4.849 -4.106 1.00 1.09 C ATOM 576 O ASN A 35 7.490 5.338 -5.235 1.00 1.24 O ATOM 577 CB ASN A 35 9.826 4.098 -3.360 1.00 2.08 C ATOM 578 CG ASN A 35 10.510 4.137 -4.715 1.00 2.84 C ATOM 579 OD1 ASN A 35 9.939 3.744 -5.731 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.746 4.608 -4.737 1.00 3.64 N ATOM 0 H ASN A 35 7.269 5.138 -1.742 1.00 0.98 H new ATOM 0 HA ASN A 35 9.185 6.132 -3.485 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.574 4.226 -2.577 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.376 3.116 -3.214 1.00 2.08 H new ATOM 0 HD21 ASN A 35 12.259 4.654 -5.618 1.00 3.64 H new ATOM 0 HD22 ASN A 35 12.186 4.925 -3.873 1.00 3.64 H new ATOM 587 N LYS A 36 6.653 4.024 -3.591 1.00 0.89 N ATOM 588 CA LYS A 36 5.464 3.618 -4.331 1.00 0.69 C ATOM 589 C LYS A 36 4.659 2.607 -3.505 1.00 0.66 C ATOM 590 O LYS A 36 4.939 2.388 -2.327 1.00 0.77 O ATOM 591 CB LYS A 36 5.860 2.991 -5.679 1.00 0.80 C ATOM 592 CG LYS A 36 6.524 1.621 -5.561 1.00 1.05 C ATOM 593 CD LYS A 36 6.828 1.036 -6.925 1.00 1.32 C ATOM 594 CE LYS A 36 7.705 1.964 -7.740 1.00 1.84 C ATOM 595 NZ LYS A 36 7.871 1.467 -9.132 1.00 2.23 N ATOM 0 H LYS A 36 6.717 3.624 -2.655 1.00 0.89 H new ATOM 0 HA LYS A 36 4.851 4.499 -4.521 1.00 0.69 H new ATOM 0 HB2 LYS A 36 4.969 2.898 -6.300 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.539 3.668 -6.196 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.447 1.710 -4.988 1.00 1.05 H new ATOM 0 HG3 LYS A 36 5.871 0.944 -5.010 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.325 0.073 -6.807 1.00 1.32 H new ATOM 0 HD3 LYS A 36 5.896 0.851 -7.459 1.00 1.32 H new ATOM 0 HE2 LYS A 36 7.265 2.961 -7.758 1.00 1.84 H new ATOM 0 HE3 LYS A 36 8.682 2.055 -7.265 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 8.476 2.123 -9.665 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.313 0.526 -9.114 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 6.940 1.404 -9.591 1.00 2.23 H new ATOM 609 N ILE A 37 3.695 1.962 -4.138 1.00 0.61 N ATOM 610 CA ILE A 37 2.890 0.942 -3.480 1.00 0.60 C ATOM 611 C ILE A 37 3.357 -0.432 -3.957 1.00 0.54 C ATOM 612 O ILE A 37 3.389 -0.697 -5.160 1.00 0.75 O ATOM 613 CB ILE A 37 1.389 1.118 -3.790 1.00 0.73 C ATOM 614 CG1 ILE A 37 0.872 2.424 -3.167 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.581 -0.084 -3.303 1.00 0.79 C ATOM 616 CD1 ILE A 37 -0.634 2.606 -3.234 1.00 1.01 C ATOM 0 H ILE A 37 3.448 2.127 -5.114 1.00 0.61 H new ATOM 0 HA ILE A 37 3.018 1.037 -2.402 1.00 0.60 H new ATOM 0 HB ILE A 37 1.263 1.177 -4.871 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.183 2.460 -2.123 1.00 0.85 H new ATOM 0 HG13 ILE A 37 1.349 3.265 -3.671 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.473 0.068 -3.535 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.936 -0.987 -3.801 1.00 0.79 H new ATOM 0 HG23 ILE A 37 0.703 -0.192 -2.225 1.00 0.79 H new ATOM 0 HD11 ILE A 37 -0.907 3.554 -2.771 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.955 2.606 -4.276 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -1.123 1.789 -2.704 1.00 1.01 H new ATOM 628 N MET A 38 3.748 -1.287 -3.023 1.00 0.51 N ATOM 629 CA MET A 38 4.248 -2.615 -3.368 1.00 0.59 C ATOM 630 C MET A 38 3.501 -3.701 -2.607 1.00 0.60 C ATOM 631 O MET A 38 4.049 -4.329 -1.703 1.00 0.98 O ATOM 632 CB MET A 38 5.743 -2.691 -3.061 1.00 0.75 C ATOM 633 CG MET A 38 6.574 -1.705 -3.874 1.00 1.40 C ATOM 634 SD MET A 38 8.226 -1.451 -3.192 1.00 1.72 S ATOM 635 CE MET A 38 8.930 -3.081 -3.409 1.00 2.53 C ATOM 0 H MET A 38 3.730 -1.088 -2.023 1.00 0.51 H new ATOM 0 HA MET A 38 4.083 -2.781 -4.433 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.900 -2.499 -1.999 1.00 0.75 H new ATOM 0 HB3 MET A 38 6.097 -3.703 -3.258 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.661 -2.068 -4.898 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.053 -0.748 -3.918 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.980 -3.066 -3.117 1.00 2.53 H new ATOM 0 HE2 MET A 38 8.391 -3.796 -2.787 1.00 2.53 H new ATOM 0 HE3 MET A 38 8.849 -3.376 -4.455 1.00 2.53 H new ATOM 645 N PHE A 39 2.247 -3.908 -2.962 1.00 0.61 N ATOM 646 CA PHE A 39 1.428 -4.906 -2.287 1.00 0.71 C ATOM 647 C PHE A 39 1.367 -6.249 -3.033 1.00 0.72 C ATOM 648 O PHE A 39 1.699 -6.339 -4.214 1.00 1.08 O ATOM 649 CB PHE A 39 0.015 -4.350 -2.035 1.00 1.11 C ATOM 650 CG PHE A 39 -0.787 -3.924 -3.250 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.297 -4.068 -4.546 1.00 1.32 C ATOM 652 CD2 PHE A 39 -2.057 -3.378 -3.078 1.00 1.31 C ATOM 653 CE1 PHE A 39 -1.051 -3.684 -5.638 1.00 1.66 C ATOM 654 CE2 PHE A 39 -2.816 -2.994 -4.173 1.00 1.69 C ATOM 655 CZ PHE A 39 -2.312 -3.148 -5.453 1.00 1.57 C ATOM 0 H PHE A 39 1.772 -3.403 -3.710 1.00 0.61 H new ATOM 0 HA PHE A 39 1.909 -5.116 -1.332 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.557 -5.109 -1.501 1.00 1.11 H new ATOM 0 HB3 PHE A 39 0.103 -3.491 -1.370 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.687 -4.486 -4.699 1.00 1.32 H new ATOM 0 HD2 PHE A 39 -2.454 -3.253 -2.082 1.00 1.31 H new ATOM 0 HE1 PHE A 39 -0.656 -3.802 -6.636 1.00 1.66 H new ATOM 0 HE2 PHE A 39 -3.801 -2.575 -4.027 1.00 1.69 H new ATOM 0 HZ PHE A 39 -2.903 -2.850 -6.306 1.00 1.57 H new ATOM 665 N THR A 40 0.954 -7.292 -2.323 1.00 0.63 N ATOM 666 CA THR A 40 0.847 -8.626 -2.902 1.00 0.74 C ATOM 667 C THR A 40 -0.597 -9.107 -2.861 1.00 0.84 C ATOM 668 O THR A 40 -1.221 -9.133 -1.800 1.00 1.16 O ATOM 669 CB THR A 40 1.747 -9.607 -2.152 1.00 0.98 C ATOM 670 OG1 THR A 40 1.586 -9.470 -0.752 1.00 1.45 O ATOM 671 CG2 THR A 40 3.212 -9.435 -2.458 1.00 1.35 C ATOM 0 H THR A 40 0.686 -7.239 -1.340 1.00 0.63 H new ATOM 0 HA THR A 40 1.172 -8.577 -3.941 1.00 0.74 H new ATOM 0 HB THR A 40 1.435 -10.594 -2.493 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.227 -8.811 -0.412 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.790 -10.164 -1.891 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.381 -9.588 -3.524 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.526 -8.429 -2.181 1.00 1.35 H new ATOM 679 N GLU A 41 -1.127 -9.484 -4.016 1.00 1.04 N ATOM 680 CA GLU A 41 -2.501 -9.954 -4.104 1.00 1.27 C ATOM 681 C GLU A 41 -2.612 -11.435 -3.724 1.00 1.20 C ATOM 682 O GLU A 41 -3.023 -12.273 -4.526 1.00 1.66 O ATOM 683 CB GLU A 41 -3.069 -9.695 -5.508 1.00 1.89 C ATOM 684 CG GLU A 41 -2.204 -10.204 -6.647 1.00 2.55 C ATOM 685 CD GLU A 41 -2.837 -9.960 -8.005 1.00 3.05 C ATOM 686 OE1 GLU A 41 -2.924 -8.789 -8.418 1.00 3.56 O ATOM 687 OE2 GLU A 41 -3.258 -10.932 -8.660 1.00 3.46 O ATOM 0 H GLU A 41 -0.626 -9.473 -4.904 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.097 -9.391 -3.386 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.051 -10.162 -5.579 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.216 -8.622 -5.633 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -1.231 -9.714 -6.609 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.028 -11.272 -6.517 1.00 2.55 H new ATOM 694 N GLN A 42 -2.260 -11.737 -2.481 1.00 1.08 N ATOM 695 CA GLN A 42 -2.333 -13.098 -1.955 1.00 1.24 C ATOM 696 C GLN A 42 -3.781 -13.436 -1.634 1.00 1.37 C ATOM 697 O GLN A 42 -4.227 -13.278 -0.498 1.00 1.84 O ATOM 698 CB GLN A 42 -1.483 -13.215 -0.690 1.00 1.58 C ATOM 699 CG GLN A 42 -0.022 -12.845 -0.892 1.00 2.34 C ATOM 700 CD GLN A 42 0.781 -12.957 0.388 1.00 2.87 C ATOM 701 OE1 GLN A 42 0.842 -14.019 1.006 1.00 3.26 O ATOM 702 NE2 GLN A 42 1.405 -11.865 0.796 1.00 3.46 N ATOM 0 H GLN A 42 -1.917 -11.050 -1.810 1.00 1.08 H new ATOM 0 HA GLN A 42 -1.952 -13.795 -2.702 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.907 -12.572 0.081 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -1.540 -14.238 -0.319 1.00 1.58 H new ATOM 0 HG2 GLN A 42 0.414 -13.496 -1.650 1.00 2.34 H new ATOM 0 HG3 GLN A 42 0.043 -11.825 -1.271 1.00 2.34 H new ATOM 0 HE21 GLN A 42 1.330 -11.003 0.256 1.00 3.46 H new ATOM 0 HE22 GLN A 42 1.961 -11.885 1.651 1.00 3.46 H new ATOM 711 N ASP A 43 -4.525 -13.868 -2.638 1.00 1.32 N ATOM 712 CA ASP A 43 -5.931 -14.168 -2.437 1.00 1.60 C ATOM 713 C ASP A 43 -6.176 -15.633 -2.131 1.00 1.62 C ATOM 714 O ASP A 43 -5.349 -16.503 -2.405 1.00 1.97 O ATOM 715 CB ASP A 43 -6.759 -13.768 -3.668 1.00 2.08 C ATOM 716 CG ASP A 43 -8.256 -13.811 -3.404 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.662 -13.706 -2.227 1.00 2.87 O ATOM 718 OD2 ASP A 43 -9.032 -13.951 -4.372 1.00 2.96 O ATOM 0 H ASP A 43 -4.185 -14.017 -3.588 1.00 1.32 H new ATOM 0 HA ASP A 43 -6.245 -13.583 -1.572 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.477 -12.762 -3.980 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.520 -14.437 -4.495 1.00 2.08 H new ATOM 723 N ALA A 44 -7.344 -15.878 -1.576 1.00 1.87 N ATOM 724 CA ALA A 44 -7.788 -17.206 -1.230 1.00 2.28 C ATOM 725 C ALA A 44 -9.309 -17.273 -1.316 1.00 2.75 C ATOM 726 O ALA A 44 -9.915 -18.313 -1.060 1.00 3.39 O ATOM 727 CB ALA A 44 -7.302 -17.589 0.159 1.00 2.82 C ATOM 0 H ALA A 44 -8.019 -15.148 -1.350 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.365 -17.921 -1.936 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -7.647 -18.594 0.401 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -6.213 -17.564 0.183 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -7.697 -16.884 0.890 1.00 2.82 H new ATOM 861 N TYR A 54 4.157 -9.160 -7.680 1.00 2.10 N ATOM 862 CA TYR A 54 4.250 -8.525 -9.001 1.00 2.00 C ATOM 863 C TYR A 54 3.204 -7.425 -9.138 1.00 1.62 C ATOM 864 O TYR A 54 2.935 -6.928 -10.234 1.00 1.96 O ATOM 865 CB TYR A 54 4.097 -9.557 -10.141 1.00 2.78 C ATOM 866 CG TYR A 54 5.374 -10.296 -10.503 1.00 3.45 C ATOM 867 CD1 TYR A 54 6.031 -11.085 -9.575 1.00 3.89 C ATOM 868 CD2 TYR A 54 5.929 -10.190 -11.775 1.00 4.24 C ATOM 869 CE1 TYR A 54 7.197 -11.745 -9.891 1.00 4.87 C ATOM 870 CE2 TYR A 54 7.099 -10.857 -12.103 1.00 5.15 C ATOM 871 CZ TYR A 54 7.727 -11.632 -11.151 1.00 5.40 C ATOM 872 OH TYR A 54 8.901 -12.291 -11.447 1.00 6.50 O ATOM 0 HA TYR A 54 5.243 -8.082 -9.085 1.00 2.00 H new ATOM 0 HB2 TYR A 54 3.340 -10.287 -9.853 1.00 2.78 H new ATOM 0 HB3 TYR A 54 3.725 -9.045 -11.029 1.00 2.78 H new ATOM 0 HD1 TYR A 54 5.620 -11.185 -8.581 1.00 3.89 H new ATOM 0 HD2 TYR A 54 5.440 -9.578 -12.519 1.00 4.24 H new ATOM 0 HE1 TYR A 54 7.694 -12.351 -9.148 1.00 4.87 H new ATOM 0 HE2 TYR A 54 7.515 -10.770 -13.096 1.00 5.15 H new ATOM 0 HH TYR A 54 9.149 -12.115 -12.379 1.00 6.50 H new ATOM 882 N SER A 55 2.623 -7.041 -8.015 1.00 1.34 N ATOM 883 CA SER A 55 1.617 -6.001 -7.994 1.00 1.50 C ATOM 884 C SER A 55 2.238 -4.691 -7.491 1.00 1.20 C ATOM 885 O SER A 55 2.924 -4.679 -6.467 1.00 1.33 O ATOM 886 CB SER A 55 0.446 -6.451 -7.114 1.00 2.13 C ATOM 887 OG SER A 55 -0.791 -6.282 -7.782 1.00 2.61 O ATOM 0 H SER A 55 2.835 -7.439 -7.100 1.00 1.34 H new ATOM 0 HA SER A 55 1.237 -5.821 -9.000 1.00 1.50 H new ATOM 0 HB2 SER A 55 0.575 -7.498 -6.841 1.00 2.13 H new ATOM 0 HB3 SER A 55 0.443 -5.878 -6.187 1.00 2.13 H new ATOM 0 HG SER A 55 -1.271 -5.520 -7.394 1.00 2.61 H new ATOM 893 N SER A 56 2.037 -3.597 -8.226 1.00 1.07 N ATOM 894 CA SER A 56 2.613 -2.308 -7.845 1.00 0.91 C ATOM 895 C SER A 56 1.745 -1.136 -8.308 1.00 0.80 C ATOM 896 O SER A 56 1.035 -1.220 -9.316 1.00 0.93 O ATOM 897 CB SER A 56 4.031 -2.171 -8.425 1.00 1.09 C ATOM 898 OG SER A 56 4.847 -3.281 -8.069 1.00 1.73 O ATOM 0 H SER A 56 1.484 -3.577 -9.083 1.00 1.07 H new ATOM 0 HA SER A 56 2.658 -2.277 -6.756 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.976 -2.092 -9.511 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.487 -1.250 -8.061 1.00 1.09 H new ATOM 0 HG SER A 56 5.741 -3.166 -8.453 1.00 1.73 H new ATOM 904 N ILE A 57 1.826 -0.045 -7.554 1.00 0.68 N ATOM 905 CA ILE A 57 1.087 1.175 -7.841 1.00 0.67 C ATOM 906 C ILE A 57 1.980 2.393 -7.619 1.00 0.63 C ATOM 907 O ILE A 57 2.556 2.565 -6.544 1.00 0.81 O ATOM 908 CB ILE A 57 -0.177 1.290 -6.953 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.309 0.434 -7.528 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.615 2.744 -6.802 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.113 1.127 -8.610 1.00 0.81 C ATOM 0 H ILE A 57 2.411 0.016 -6.721 1.00 0.68 H new ATOM 0 HA ILE A 57 0.772 1.137 -8.884 1.00 0.67 H new ATOM 0 HB ILE A 57 0.069 0.916 -5.959 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.886 -0.485 -7.935 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.980 0.145 -6.719 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.504 2.793 -6.174 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.187 3.320 -6.340 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.841 3.160 -7.784 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.895 0.457 -8.967 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.567 2.031 -8.204 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.456 1.392 -9.438 1.00 0.81 H new ATOM 923 N ARG A 58 2.101 3.227 -8.633 1.00 0.66 N ATOM 924 CA ARG A 58 2.921 4.419 -8.525 1.00 0.73 C ATOM 925 C ARG A 58 2.156 5.505 -7.764 1.00 0.75 C ATOM 926 O ARG A 58 0.981 5.753 -8.029 1.00 0.91 O ATOM 927 CB ARG A 58 3.332 4.923 -9.910 1.00 0.96 C ATOM 928 CG ARG A 58 2.170 5.440 -10.742 1.00 1.24 C ATOM 929 CD ARG A 58 2.644 6.238 -11.946 1.00 1.86 C ATOM 930 NE ARG A 58 3.120 5.400 -13.049 1.00 2.47 N ATOM 931 CZ ARG A 58 4.351 4.891 -13.122 1.00 2.95 C ATOM 932 NH1 ARG A 58 5.343 5.526 -12.507 1.00 3.22 N ATOM 933 NH2 ARG A 58 4.649 4.100 -14.137 1.00 3.70 N ATOM 0 H ARG A 58 1.645 3.103 -9.537 1.00 0.66 H new ATOM 0 HA ARG A 58 3.829 4.171 -7.975 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.067 5.720 -9.794 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.823 4.114 -10.451 1.00 0.96 H new ATOM 0 HG2 ARG A 58 1.563 4.600 -11.080 1.00 1.24 H new ATOM 0 HG3 ARG A 58 1.529 6.066 -10.121 1.00 1.24 H new ATOM 0 HD2 ARG A 58 1.826 6.864 -12.302 1.00 1.86 H new ATOM 0 HD3 ARG A 58 3.446 6.907 -11.636 1.00 1.86 H new ATOM 0 HE ARG A 58 2.471 5.193 -13.808 1.00 2.47 H new ATOM 0 HH11 ARG A 58 5.156 6.386 -11.991 1.00 3.22 H new ATOM 0 HH12 ARG A 58 6.292 5.153 -12.551 1.00 3.22 H new ATOM 0 HH21 ARG A 58 3.944 3.890 -14.844 1.00 3.70 H new ATOM 0 HH22 ARG A 58 5.584 3.699 -14.214 1.00 3.70 H new ATOM 947 N LEU A 59 2.821 6.145 -6.816 1.00 0.85 N ATOM 948 CA LEU A 59 2.203 7.200 -6.021 1.00 1.02 C ATOM 949 C LEU A 59 2.637 8.568 -6.516 1.00 1.15 C ATOM 950 O LEU A 59 2.095 9.590 -6.099 1.00 1.59 O ATOM 951 CB LEU A 59 2.574 7.050 -4.551 1.00 1.28 C ATOM 952 CG LEU A 59 1.918 5.869 -3.827 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.500 5.711 -2.433 1.00 1.79 C ATOM 954 CD2 LEU A 59 0.408 6.042 -3.764 1.00 1.35 C ATOM 0 H LEU A 59 3.793 5.953 -6.576 1.00 0.85 H new ATOM 0 HA LEU A 59 1.122 7.110 -6.127 1.00 1.02 H new ATOM 0 HB2 LEU A 59 3.656 6.945 -4.475 1.00 1.28 H new ATOM 0 HB3 LEU A 59 2.305 7.969 -4.030 1.00 1.28 H new ATOM 0 HG LEU A 59 2.129 4.962 -4.393 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.023 4.868 -1.933 1.00 1.79 H new ATOM 0 HD12 LEU A 59 3.573 5.531 -2.505 1.00 1.79 H new ATOM 0 HD13 LEU A 59 2.323 6.621 -1.859 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -0.034 5.191 -3.246 1.00 1.35 H new ATOM 0 HD22 LEU A 59 0.169 6.959 -3.226 1.00 1.35 H new ATOM 0 HD23 LEU A 59 0.006 6.100 -4.775 1.00 1.35 H new ATOM 966 N ASP A 60 3.628 8.576 -7.397 1.00 1.13 N ATOM 967 CA ASP A 60 4.159 9.818 -7.959 1.00 1.33 C ATOM 968 C ASP A 60 3.050 10.682 -8.558 1.00 1.33 C ATOM 969 O ASP A 60 3.010 11.900 -8.373 1.00 1.56 O ATOM 970 CB ASP A 60 5.205 9.511 -9.033 1.00 1.46 C ATOM 971 CG ASP A 60 5.571 10.743 -9.844 1.00 1.90 C ATOM 972 OD1 ASP A 60 5.995 11.752 -9.248 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.432 10.708 -11.084 1.00 2.27 O ATOM 0 H ASP A 60 4.085 7.732 -7.742 1.00 1.13 H new ATOM 0 HA ASP A 60 4.624 10.374 -7.145 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.101 9.109 -8.561 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.823 8.739 -9.700 1.00 1.46 H new ATOM 978 N LYS A 61 2.140 10.040 -9.258 1.00 1.22 N ATOM 979 CA LYS A 61 1.022 10.726 -9.878 1.00 1.28 C ATOM 980 C LYS A 61 -0.278 10.195 -9.292 1.00 1.06 C ATOM 981 O LYS A 61 -1.283 10.031 -9.985 1.00 1.27 O ATOM 982 CB LYS A 61 1.078 10.520 -11.395 1.00 1.60 C ATOM 983 CG LYS A 61 2.306 11.137 -12.043 1.00 1.93 C ATOM 984 CD LYS A 61 2.368 10.828 -13.525 1.00 2.55 C ATOM 985 CE LYS A 61 3.566 11.484 -14.176 1.00 3.16 C ATOM 986 NZ LYS A 61 3.700 11.088 -15.599 1.00 3.92 N ATOM 0 H LYS A 61 2.152 9.032 -9.414 1.00 1.22 H new ATOM 0 HA LYS A 61 1.075 11.796 -9.679 1.00 1.28 H new ATOM 0 HB2 LYS A 61 1.061 9.452 -11.610 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.184 10.950 -11.846 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.292 12.217 -11.896 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.204 10.760 -11.554 1.00 1.93 H new ATOM 0 HD2 LYS A 61 2.418 9.749 -13.671 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.454 11.174 -14.009 1.00 2.55 H new ATOM 0 HE2 LYS A 61 3.470 12.568 -14.107 1.00 3.16 H new ATOM 0 HE3 LYS A 61 4.471 11.209 -13.634 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 4.531 11.556 -16.013 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.816 10.056 -15.663 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 2.847 11.373 -16.121 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.232 9.903 -8.004 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.369 9.369 -7.298 1.00 0.69 C ATOM 1002 C TYR A 62 -1.871 10.336 -6.238 1.00 0.67 C ATOM 1003 O TYR A 62 -1.104 11.093 -5.639 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.968 8.059 -6.636 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.815 6.883 -7.031 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.029 6.571 -8.362 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -2.384 6.079 -6.068 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -2.802 5.480 -8.715 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -3.146 4.997 -6.407 1.00 1.79 C ATOM 1010 CZ TYR A 62 -3.354 4.695 -7.731 1.00 1.66 C ATOM 1011 OH TYR A 62 -4.131 3.617 -8.079 1.00 2.21 O ATOM 0 H TYR A 62 0.597 10.032 -7.424 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.174 9.206 -8.014 1.00 0.69 H new ATOM 0 HB2 TYR A 62 0.071 7.843 -6.884 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -1.019 8.182 -5.554 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -1.588 7.186 -9.133 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -2.225 6.308 -5.025 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.971 5.247 -9.756 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -3.584 4.380 -5.636 1.00 1.79 H new ATOM 0 HH TYR A 62 -4.445 3.165 -7.268 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.158 10.269 -5.995 1.00 0.64 N ATOM 1022 CA ASN A 63 -3.812 11.079 -4.993 1.00 0.73 C ATOM 1023 C ASN A 63 -4.583 10.133 -4.110 1.00 0.64 C ATOM 1024 O ASN A 63 -5.781 9.922 -4.283 1.00 0.73 O ATOM 1025 CB ASN A 63 -4.762 12.101 -5.615 1.00 0.89 C ATOM 1026 CG ASN A 63 -4.054 13.218 -6.365 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -3.310 12.973 -7.317 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -4.289 14.457 -5.953 1.00 2.13 N ATOM 0 H ASN A 63 -3.790 9.642 -6.494 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.069 11.646 -4.432 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.437 11.587 -6.300 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.378 12.537 -4.828 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -3.848 15.245 -6.428 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -4.911 14.622 -5.161 1.00 2.13 H new ATOM 1035 N ILE A 64 -3.872 9.526 -3.196 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.464 8.557 -2.303 1.00 0.70 C ATOM 1037 C ILE A 64 -4.942 9.234 -1.019 1.00 0.79 C ATOM 1038 O ILE A 64 -4.162 9.840 -0.282 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.480 7.405 -2.024 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.081 6.400 -1.053 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.150 7.932 -1.507 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.288 5.117 -0.992 1.00 1.18 C ATOM 0 H ILE A 64 -2.875 9.685 -3.048 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.340 8.121 -2.783 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.291 6.892 -2.967 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.128 6.843 -0.058 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.105 6.177 -1.352 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.476 7.096 -1.319 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -1.708 8.595 -2.251 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -2.312 8.483 -0.581 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -3.757 4.432 -0.285 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.263 4.658 -1.980 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.270 5.333 -0.666 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.250 9.156 -0.795 1.00 0.69 N ATOM 1055 CA ARG A 65 -6.889 9.774 0.363 1.00 0.80 C ATOM 1056 C ARG A 65 -7.514 8.720 1.271 1.00 0.68 C ATOM 1057 O ARG A 65 -7.276 7.526 1.106 1.00 0.71 O ATOM 1058 CB ARG A 65 -7.955 10.767 -0.093 1.00 0.97 C ATOM 1059 CG ARG A 65 -7.420 11.929 -0.901 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.537 12.888 -1.250 1.00 1.78 C ATOM 1061 NE ARG A 65 -9.191 13.428 -0.063 1.00 2.20 N ATOM 1062 CZ ARG A 65 -10.252 14.225 -0.113 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -10.962 14.294 -1.238 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -10.775 14.680 1.014 1.00 3.57 N ATOM 0 H ARG A 65 -6.897 8.663 -1.410 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.124 10.304 0.930 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -8.697 10.237 -0.689 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -8.471 11.157 0.785 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -6.649 12.450 -0.334 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -6.950 11.560 -1.813 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -8.137 13.708 -1.847 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -9.274 12.375 -1.867 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.814 13.181 0.852 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -10.689 13.738 -2.048 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -11.779 14.902 -1.289 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -10.363 14.418 1.910 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -11.590 15.293 0.987 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.318 9.158 2.230 1.00 0.82 N ATOM 1079 CA GLN A 66 -8.962 8.236 3.154 1.00 0.83 C ATOM 1080 C GLN A 66 -10.245 8.833 3.714 1.00 0.99 C ATOM 1081 O GLN A 66 -10.328 10.040 3.942 1.00 1.30 O ATOM 1082 CB GLN A 66 -7.995 7.885 4.292 1.00 0.97 C ATOM 1083 CG GLN A 66 -7.498 9.091 5.086 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.382 9.442 6.271 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -8.298 10.545 6.821 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -9.205 8.498 6.700 1.00 2.45 N ATOM 0 H GLN A 66 -8.539 10.141 2.388 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.224 7.327 2.612 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.490 7.194 4.974 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.136 7.360 3.875 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -6.488 8.890 5.443 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -7.435 9.953 4.422 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -9.246 7.600 6.219 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -9.798 8.669 7.512 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.242 7.989 3.940 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.514 8.427 4.493 1.00 1.14 C ATOM 1097 C HIS A 67 -12.956 7.429 5.557 1.00 1.30 C ATOM 1098 O HIS A 67 -13.226 6.266 5.250 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.572 8.545 3.395 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.331 9.681 2.441 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -13.326 11.006 2.826 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.082 9.678 1.112 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -13.091 11.766 1.771 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -12.938 10.984 0.719 1.00 1.61 N ATOM 0 H HIS A 67 -11.192 6.989 3.747 1.00 0.94 H new ATOM 0 HA HIS A 67 -12.394 9.413 4.942 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.605 7.612 2.833 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.550 8.673 3.858 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.010 8.807 0.477 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -13.034 12.844 1.770 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -12.744 11.299 -0.231 1.00 1.61 H new ATOM 1113 N THR A 68 -12.986 7.867 6.805 1.00 1.74 N ATOM 1114 CA THR A 68 -13.351 6.991 7.909 1.00 2.04 C ATOM 1115 C THR A 68 -14.778 7.249 8.381 1.00 1.92 C ATOM 1116 O THR A 68 -14.993 7.824 9.449 1.00 2.16 O ATOM 1117 CB THR A 68 -12.371 7.189 9.073 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.042 7.289 8.590 1.00 3.12 O ATOM 1119 CG2 THR A 68 -12.398 6.066 10.092 1.00 3.23 C ATOM 0 H THR A 68 -12.762 8.823 7.080 1.00 1.74 H new ATOM 0 HA THR A 68 -13.298 5.962 7.555 1.00 2.04 H new ATOM 0 HB THR A 68 -12.694 8.107 9.564 1.00 2.74 H new ATOM 0 HG1 THR A 68 -10.909 6.646 7.862 1.00 3.12 H new ATOM 0 HG21 THR A 68 -11.679 6.276 10.884 1.00 3.23 H new ATOM 0 HG22 THR A 68 -13.397 5.987 10.520 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.137 5.126 9.605 1.00 3.23 H new ATOM 1127 N THR A 69 -15.755 6.804 7.603 1.00 2.34 N ATOM 1128 CA THR A 69 -17.147 6.971 7.975 1.00 2.58 C ATOM 1129 C THR A 69 -17.485 5.993 9.106 1.00 2.35 C ATOM 1130 O THR A 69 -18.266 6.291 10.011 1.00 2.76 O ATOM 1131 CB THR A 69 -18.046 6.723 6.763 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.602 5.580 6.049 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.116 7.880 5.785 1.00 3.69 C ATOM 0 H THR A 69 -15.607 6.327 6.714 1.00 2.34 H new ATOM 0 HA THR A 69 -17.316 7.991 8.322 1.00 2.58 H new ATOM 0 HB THR A 69 -19.044 6.583 7.178 1.00 3.11 H new ATOM 0 HG1 THR A 69 -18.186 5.430 5.276 1.00 3.61 H new ATOM 0 HG21 THR A 69 -18.775 7.617 4.957 1.00 3.69 H new ATOM 0 HG22 THR A 69 -18.505 8.763 6.293 1.00 3.69 H new ATOM 0 HG23 THR A 69 -17.118 8.093 5.401 1.00 3.69 H new ATOM 1141 N ASP A 70 -16.829 4.845 9.047 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.953 3.779 10.043 1.00 2.43 C ATOM 1143 C ASP A 70 -15.675 2.983 9.963 1.00 2.17 C ATOM 1144 O ASP A 70 -14.910 2.882 10.922 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.165 2.878 9.772 1.00 3.01 C ATOM 1146 CG ASP A 70 -18.424 1.874 10.887 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.867 2.031 11.993 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -19.218 0.934 10.671 1.00 4.26 O ATOM 0 H ASP A 70 -16.181 4.618 8.292 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.108 4.201 11.036 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -19.050 3.500 9.639 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.009 2.341 8.836 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.412 2.507 8.766 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.185 1.811 8.475 1.00 2.00 C ATOM 1155 C GLU A 71 -13.295 2.800 7.747 1.00 1.55 C ATOM 1156 O GLU A 71 -13.806 3.716 7.096 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.427 0.606 7.583 1.00 2.69 C ATOM 1158 CG GLU A 71 -15.326 -0.459 8.183 1.00 3.30 C ATOM 1159 CD GLU A 71 -15.886 -1.366 7.113 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.684 -0.880 6.280 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -15.510 -2.554 7.075 1.00 4.50 O ATOM 0 H GLU A 71 -16.044 2.593 7.970 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.733 1.447 9.397 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -14.867 0.948 6.646 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.466 0.154 7.338 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -14.763 -1.049 8.906 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -16.143 0.015 8.726 1.00 3.30 H new ATOM 1168 N ASP A 72 -11.989 2.644 7.843 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.096 3.569 7.167 1.00 1.10 C ATOM 1170 C ASP A 72 -10.921 3.175 5.712 1.00 0.90 C ATOM 1171 O ASP A 72 -10.193 2.237 5.388 1.00 1.26 O ATOM 1172 CB ASP A 72 -9.742 3.659 7.862 1.00 1.58 C ATOM 1173 CG ASP A 72 -9.053 4.964 7.522 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -9.642 5.766 6.762 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -7.949 5.213 8.043 1.00 2.67 O ATOM 0 H ASP A 72 -11.528 1.902 8.370 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.555 4.557 7.211 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.875 3.583 8.941 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.115 2.821 7.558 1.00 1.58 H new ATOM 1180 N THR A 73 -11.603 3.898 4.839 1.00 0.74 N ATOM 1181 CA THR A 73 -11.532 3.629 3.423 1.00 0.65 C ATOM 1182 C THR A 73 -10.406 4.436 2.797 1.00 0.60 C ATOM 1183 O THR A 73 -10.547 5.640 2.564 1.00 0.79 O ATOM 1184 CB THR A 73 -12.864 3.977 2.744 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.955 3.387 3.428 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.944 3.539 1.301 1.00 0.94 C ATOM 0 H THR A 73 -12.212 4.676 5.093 1.00 0.74 H new ATOM 0 HA THR A 73 -11.334 2.567 3.280 1.00 0.65 H new ATOM 0 HB THR A 73 -12.916 5.065 2.779 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.792 3.625 2.977 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.913 3.819 0.889 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.153 4.024 0.729 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.824 2.457 1.242 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.304 3.776 2.498 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.191 4.453 1.866 1.00 0.52 C ATOM 1196 C ILE A 74 -8.441 4.400 0.370 1.00 0.50 C ATOM 1197 O ILE A 74 -8.353 3.337 -0.247 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.829 3.790 2.186 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.863 3.097 3.553 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.699 4.814 2.135 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.000 4.037 4.736 1.00 0.99 C ATOM 0 H ILE A 74 -9.157 2.783 2.680 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.132 5.474 2.242 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.640 3.033 1.424 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.695 2.393 3.568 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.950 2.514 3.673 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.753 4.323 2.363 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.649 5.252 1.138 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.886 5.599 2.867 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -7.015 3.459 5.660 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.156 4.726 4.753 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.928 4.602 4.646 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.825 5.522 -0.203 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.145 5.560 -1.611 1.00 0.45 C ATOM 1215 C VAL A 75 -7.961 6.003 -2.455 1.00 0.46 C ATOM 1216 O VAL A 75 -7.359 7.055 -2.227 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.372 6.461 -1.901 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.617 5.899 -1.225 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.136 7.901 -1.468 1.00 1.19 C ATOM 0 H VAL A 75 -8.922 6.414 0.283 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.397 4.537 -1.892 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.525 6.466 -2.980 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.469 6.544 -1.439 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.816 4.897 -1.604 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.457 5.854 -0.148 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.021 8.497 -1.690 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -9.937 7.931 -0.397 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.280 8.307 -2.007 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.644 5.192 -3.442 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.562 5.491 -4.349 1.00 0.58 C ATOM 1231 C LEU A 76 -7.133 6.169 -5.580 1.00 0.59 C ATOM 1232 O LEU A 76 -7.847 5.543 -6.360 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.810 4.226 -4.755 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.921 3.614 -3.670 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.757 2.992 -2.561 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.960 2.601 -4.271 1.00 1.04 C ATOM 0 H LEU A 76 -8.126 4.314 -3.635 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.853 6.150 -3.847 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.537 3.477 -5.071 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.191 4.455 -5.622 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.330 4.415 -3.225 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -5.098 2.565 -1.805 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.385 3.758 -2.105 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -6.388 2.207 -2.978 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -3.337 2.178 -3.483 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -4.526 1.804 -4.753 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -3.327 3.094 -5.009 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.835 7.443 -5.746 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.343 8.193 -6.885 1.00 0.74 C ATOM 1250 C GLN A 77 -6.198 8.566 -7.827 1.00 0.78 C ATOM 1251 O GLN A 77 -5.184 9.111 -7.397 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.088 9.445 -6.391 1.00 0.93 C ATOM 1253 CG GLN A 77 -8.724 10.286 -7.493 1.00 1.36 C ATOM 1254 CD GLN A 77 -9.504 11.467 -6.937 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -8.957 12.299 -6.213 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.782 11.564 -7.277 1.00 2.03 N ATOM 0 H GLN A 77 -6.246 7.981 -5.111 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.045 7.573 -7.443 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.867 9.136 -5.694 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -7.390 10.070 -5.833 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -7.946 10.650 -8.164 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.390 9.660 -8.087 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.205 10.857 -7.879 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.342 12.345 -6.937 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.342 8.265 -9.125 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.332 8.566 -10.129 1.00 0.99 C ATOM 1267 C PRO A 78 -5.511 9.974 -10.681 1.00 1.02 C ATOM 1268 O PRO A 78 -6.628 10.378 -11.000 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.590 7.525 -11.228 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.897 6.865 -10.894 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.500 7.610 -9.731 1.00 1.20 C ATOM 0 HA PRO A 78 -4.319 8.525 -9.727 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.635 7.999 -12.208 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.784 6.792 -11.265 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.568 6.888 -11.753 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.742 5.817 -10.638 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.247 8.333 -10.058 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.994 6.935 -9.032 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.428 10.730 -10.799 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.528 12.085 -11.322 1.00 1.56 C ATOM 1281 C GLN A 79 -4.296 12.073 -12.832 1.00 1.66 C ATOM 1282 O GLN A 79 -4.186 13.120 -13.472 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.531 13.013 -10.626 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.089 12.752 -11.022 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.109 13.702 -10.363 1.00 2.84 C ATOM 1286 OE1 GLN A 79 0.067 13.754 -10.729 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.570 14.433 -9.364 1.00 3.46 N ATOM 0 H GLN A 79 -3.485 10.435 -10.545 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.529 12.466 -11.122 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.783 14.047 -10.861 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -3.631 12.898 -9.547 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.826 11.728 -10.758 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.995 12.836 -12.105 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -2.550 14.362 -9.090 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.946 15.068 -8.866 1.00 3.46 H new ATOM 1296 N GLU A 80 -4.256 10.875 -13.396 1.00 1.50 N ATOM 1297 CA GLU A 80 -4.077 10.705 -14.831 1.00 1.81 C ATOM 1298 C GLU A 80 -5.355 10.127 -15.430 1.00 1.62 C ATOM 1299 O GLU A 80 -6.153 9.524 -14.714 1.00 1.78 O ATOM 1300 CB GLU A 80 -2.904 9.766 -15.149 1.00 2.37 C ATOM 1301 CG GLU A 80 -1.580 10.141 -14.505 1.00 3.06 C ATOM 1302 CD GLU A 80 -0.426 9.383 -15.130 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -0.139 9.623 -16.318 1.00 4.42 O ATOM 1304 OE2 GLU A 80 0.169 8.513 -14.458 1.00 4.35 O ATOM 0 H GLU A 80 -4.346 10.001 -12.878 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.857 11.682 -15.262 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -3.171 8.758 -14.832 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -2.768 9.735 -16.230 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.413 11.213 -14.611 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.620 9.929 -13.437 1.00 3.06 H new ATOM 1311 N PRO A 81 -5.586 10.291 -16.739 1.00 1.93 N ATOM 1312 CA PRO A 81 -6.783 9.765 -17.389 1.00 2.28 C ATOM 1313 C PRO A 81 -6.674 8.266 -17.672 1.00 2.24 C ATOM 1314 O PRO A 81 -6.935 7.799 -18.783 1.00 2.80 O ATOM 1315 CB PRO A 81 -6.864 10.569 -18.684 1.00 2.89 C ATOM 1316 CG PRO A 81 -5.460 10.958 -18.994 1.00 3.10 C ATOM 1317 CD PRO A 81 -4.711 11.009 -17.685 1.00 2.53 C ATOM 0 HA PRO A 81 -7.671 9.864 -16.765 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -7.294 9.974 -19.490 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -7.498 11.447 -18.563 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -5.002 10.237 -19.671 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -5.430 11.927 -19.492 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -3.735 10.531 -17.766 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -4.537 12.036 -17.365 1.00 2.53 H new ATOM 1325 N GLY A 82 -6.287 7.520 -16.652 1.00 1.99 N ATOM 1326 CA GLY A 82 -6.144 6.093 -16.779 1.00 2.10 C ATOM 1327 C GLY A 82 -6.013 5.434 -15.423 1.00 1.96 C ATOM 1328 O GLY A 82 -6.898 5.602 -14.588 1.00 2.51 O ATOM 0 H GLY A 82 -6.067 7.887 -15.726 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -7.007 5.683 -17.304 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -5.266 5.865 -17.384 1.00 2.10 H new ATOM 1332 N LEU A 83 -4.888 4.731 -15.227 1.00 1.57 N ATOM 1333 CA LEU A 83 -4.525 4.022 -13.976 1.00 1.40 C ATOM 1334 C LEU A 83 -5.710 3.520 -13.145 1.00 1.22 C ATOM 1335 O LEU A 83 -6.394 4.300 -12.482 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.631 4.901 -13.087 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.201 4.366 -12.843 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.497 5.210 -11.793 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -2.196 2.896 -12.402 1.00 1.86 C ATOM 0 H LEU A 83 -4.179 4.633 -15.953 1.00 1.57 H new ATOM 0 HA LEU A 83 -3.989 3.136 -14.316 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.558 5.889 -13.541 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.122 5.029 -12.122 1.00 1.31 H new ATOM 0 HG LEU A 83 -1.670 4.431 -13.793 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.491 4.823 -11.630 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -1.438 6.243 -12.136 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -2.057 5.170 -10.859 1.00 1.26 H new ATOM 0 HD21 LEU A 83 -1.169 2.567 -12.243 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -2.758 2.793 -11.473 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -2.658 2.283 -13.176 1.00 1.86 H new ATOM 1351 N PRO A 84 -5.934 2.196 -13.122 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.999 1.600 -12.320 1.00 1.29 C ATOM 1353 C PRO A 84 -6.907 2.078 -10.879 1.00 1.09 C ATOM 1354 O PRO A 84 -5.815 2.189 -10.314 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.749 0.093 -12.401 1.00 1.58 C ATOM 1356 CG PRO A 84 -5.383 -0.055 -12.989 1.00 1.75 C ATOM 1357 CD PRO A 84 -5.150 1.176 -13.822 1.00 1.64 C ATOM 0 HA PRO A 84 -7.991 1.873 -12.679 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.803 -0.367 -11.414 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -7.499 -0.396 -13.023 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.630 -0.144 -12.206 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -5.317 -0.956 -13.599 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -4.093 1.439 -13.868 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -5.489 1.039 -14.849 1.00 1.64 H new ATOM 1365 N SER A 85 -8.039 2.370 -10.294 1.00 0.99 N ATOM 1366 CA SER A 85 -8.075 2.854 -8.938 1.00 0.88 C ATOM 1367 C SER A 85 -8.885 1.911 -8.071 1.00 0.63 C ATOM 1368 O SER A 85 -9.843 1.292 -8.546 1.00 0.82 O ATOM 1369 CB SER A 85 -8.672 4.259 -8.921 1.00 1.23 C ATOM 1370 OG SER A 85 -9.884 4.313 -9.665 1.00 1.43 O ATOM 0 H SER A 85 -8.953 2.281 -10.738 1.00 0.99 H new ATOM 0 HA SER A 85 -7.063 2.897 -8.535 1.00 0.88 H new ATOM 0 HB2 SER A 85 -8.860 4.564 -7.892 1.00 1.23 H new ATOM 0 HB3 SER A 85 -7.955 4.967 -9.337 1.00 1.23 H new ATOM 0 HG SER A 85 -10.245 5.223 -9.636 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.503 1.778 -6.811 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.219 0.889 -5.924 1.00 0.64 C ATOM 1378 C PHE A 86 -9.444 1.515 -4.553 1.00 0.57 C ATOM 1379 O PHE A 86 -8.842 2.530 -4.201 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.498 -0.458 -5.811 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.192 -0.453 -5.063 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -7.166 -0.547 -3.680 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.991 -0.383 -5.748 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.962 -0.581 -2.996 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.790 -0.409 -5.070 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.777 -0.506 -3.690 1.00 0.75 C ATOM 0 H PHE A 86 -7.714 2.267 -6.389 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.204 0.713 -6.357 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.169 -1.166 -5.324 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.315 -0.834 -6.818 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -8.094 -0.594 -3.130 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -5.994 -0.307 -6.825 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.954 -0.666 -1.919 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.860 -0.354 -5.616 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.837 -0.523 -3.158 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.320 0.885 -3.794 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.671 1.327 -2.456 1.00 0.57 C ATOM 1398 C ARG A 87 -10.312 0.233 -1.471 1.00 0.57 C ATOM 1399 O ARG A 87 -10.742 -0.905 -1.638 1.00 0.79 O ATOM 1400 CB ARG A 87 -12.175 1.643 -2.366 1.00 0.68 C ATOM 1401 CG ARG A 87 -13.063 0.624 -3.082 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.249 0.976 -4.558 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.398 -0.205 -5.412 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.682 -0.146 -6.716 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.195 0.972 -7.219 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -13.765 -1.271 -7.423 1.00 2.41 N ATOM 0 H ARG A 87 -10.814 0.043 -4.091 1.00 0.60 H new ATOM 0 HA ARG A 87 -10.119 2.237 -2.220 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.465 1.690 -1.316 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -12.356 2.630 -2.791 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.620 -0.368 -2.997 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -14.036 0.581 -2.592 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -14.129 1.610 -4.667 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.393 1.558 -4.898 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.278 -1.124 -4.987 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.368 1.773 -6.611 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.416 1.030 -8.213 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -13.612 -2.171 -6.969 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -13.982 -1.233 -8.419 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.553 0.557 -0.441 1.00 0.52 N ATOM 1421 CA ILE A 88 -9.199 -0.450 0.535 1.00 0.54 C ATOM 1422 C ILE A 88 -9.862 -0.192 1.872 1.00 0.59 C ATOM 1423 O ILE A 88 -9.668 0.853 2.492 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.674 -0.615 0.741 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.943 0.716 0.599 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -7.110 -1.656 -0.212 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.453 0.604 0.821 1.00 0.74 C ATOM 0 H ILE A 88 -9.178 1.489 -0.262 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.571 -1.385 0.116 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.513 -0.967 1.760 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.126 1.119 -0.397 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.357 1.429 1.312 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -6.037 -1.755 -0.049 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.595 -2.615 -0.031 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -7.294 -1.345 -1.240 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.993 1.585 0.706 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.262 0.230 1.827 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -5.027 -0.084 0.091 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.630 -1.176 2.307 1.00 0.62 N ATOM 1440 CA LYS A 89 -11.318 -1.128 3.581 1.00 0.74 C ATOM 1441 C LYS A 89 -10.904 -2.354 4.377 1.00 0.85 C ATOM 1442 O LYS A 89 -10.644 -3.405 3.789 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.840 -1.130 3.407 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.370 -0.121 2.406 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.790 0.274 2.743 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.703 -0.939 2.846 1.00 1.89 C ATOM 1447 NZ LYS A 89 -16.964 -0.609 3.566 1.00 2.46 N ATOM 0 H LYS A 89 -10.793 -2.035 1.781 1.00 0.62 H new ATOM 0 HA LYS A 89 -11.048 -0.206 4.095 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -13.154 -2.127 3.097 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -13.302 -0.937 4.375 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.733 0.763 2.402 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -13.334 -0.544 1.402 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.802 0.819 3.687 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -15.170 0.952 1.979 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.938 -1.306 1.847 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.184 -1.744 3.367 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -17.627 -1.406 3.488 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.754 -0.430 4.569 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -17.392 0.240 3.145 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.822 -2.241 5.712 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.415 -3.355 6.587 1.00 1.30 C ATOM 1463 C PRO A 90 -11.188 -4.653 6.324 1.00 1.47 C ATOM 1464 O PRO A 90 -10.665 -5.745 6.530 1.00 1.94 O ATOM 1465 CB PRO A 90 -10.734 -2.821 7.986 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.602 -1.343 7.865 1.00 1.77 C ATOM 1467 CD PRO A 90 -11.102 -1.009 6.485 1.00 1.29 C ATOM 0 HA PRO A 90 -9.371 -3.628 6.430 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -11.739 -3.105 8.299 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -10.044 -3.221 8.729 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.188 -0.832 8.629 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.566 -1.029 7.994 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.166 -0.770 6.490 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.583 -0.146 6.068 1.00 1.29 H new ATOM 1475 N LYS A 91 -12.431 -4.495 5.872 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.354 -5.591 5.562 1.00 1.72 C ATOM 1477 C LYS A 91 -13.645 -6.405 6.819 1.00 2.02 C ATOM 1478 O LYS A 91 -14.719 -6.292 7.414 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.807 -6.480 4.433 1.00 1.95 C ATOM 1480 CG LYS A 91 -13.893 -7.028 3.505 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.492 -8.323 4.024 1.00 2.94 C ATOM 1482 CE LYS A 91 -13.460 -9.439 4.024 1.00 3.58 C ATOM 1483 NZ LYS A 91 -14.063 -10.759 4.338 1.00 4.13 N ATOM 0 H LYS A 91 -12.838 -3.575 5.706 1.00 1.40 H new ATOM 0 HA LYS A 91 -14.291 -5.162 5.207 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.093 -5.906 3.843 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.260 -7.315 4.872 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.682 -6.284 3.393 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -13.471 -7.197 2.514 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.871 -8.173 5.035 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.342 -8.609 3.404 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -12.977 -9.485 3.048 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -12.683 -9.213 4.754 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -13.566 -11.503 3.808 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -13.979 -10.945 5.358 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -15.068 -10.755 4.069 1.00 4.13 H new ATOM 1497 N ASP A 92 -12.681 -7.201 7.222 1.00 2.34 N ATOM 1498 CA ASP A 92 -12.789 -8.028 8.412 1.00 2.92 C ATOM 1499 C ASP A 92 -11.510 -7.894 9.242 1.00 2.79 C ATOM 1500 O ASP A 92 -10.409 -8.117 8.731 1.00 3.27 O ATOM 1501 CB ASP A 92 -13.020 -9.491 8.013 1.00 3.81 C ATOM 1502 CG ASP A 92 -13.253 -10.398 9.207 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -12.288 -10.674 9.949 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -14.405 -10.839 9.410 1.00 5.11 O ATOM 0 H ASP A 92 -11.791 -7.297 6.732 1.00 2.34 H new ATOM 0 HA ASP A 92 -13.637 -7.696 9.011 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -13.880 -9.549 7.346 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -12.157 -9.850 7.453 1.00 3.81 H new ATOM 1509 N PHE A 93 -11.649 -7.518 10.514 1.00 2.71 N ATOM 1510 CA PHE A 93 -10.493 -7.344 11.400 1.00 2.95 C ATOM 1511 C PHE A 93 -10.923 -7.457 12.868 1.00 3.05 C ATOM 1512 O PHE A 93 -12.093 -7.714 13.152 1.00 3.30 O ATOM 1513 CB PHE A 93 -9.827 -5.984 11.143 1.00 3.27 C ATOM 1514 CG PHE A 93 -10.648 -4.816 11.624 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -11.716 -4.345 10.879 1.00 4.40 C ATOM 1516 CD2 PHE A 93 -10.368 -4.217 12.840 1.00 4.41 C ATOM 1517 CE1 PHE A 93 -12.487 -3.292 11.338 1.00 5.30 C ATOM 1518 CE2 PHE A 93 -11.138 -3.172 13.307 1.00 5.31 C ATOM 1519 CZ PHE A 93 -12.198 -2.706 12.553 1.00 5.69 C ATOM 0 H PHE A 93 -12.549 -7.328 10.955 1.00 2.71 H new ATOM 0 HA PHE A 93 -9.771 -8.133 11.189 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.856 -5.964 11.637 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -9.643 -5.874 10.074 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -11.949 -4.804 9.930 1.00 4.40 H new ATOM 0 HD2 PHE A 93 -9.536 -4.572 13.431 1.00 4.41 H new ATOM 0 HE1 PHE A 93 -13.314 -2.929 10.746 1.00 5.30 H new ATOM 0 HE2 PHE A 93 -10.913 -2.719 14.261 1.00 5.31 H new ATOM 0 HZ PHE A 93 -12.799 -1.885 12.914 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.975 -7.262 13.794 1.00 3.44 N ATOM 1530 CA GLU A 94 -10.254 -7.341 15.234 1.00 3.96 C ATOM 1531 C GLU A 94 -10.036 -5.973 15.899 1.00 3.75 C ATOM 1532 O GLU A 94 -10.968 -5.185 16.053 1.00 4.15 O ATOM 1533 CB GLU A 94 -9.350 -8.402 15.869 1.00 4.82 C ATOM 1534 CG GLU A 94 -9.594 -9.797 15.316 1.00 5.73 C ATOM 1535 CD GLU A 94 -8.506 -10.781 15.685 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -7.346 -10.571 15.269 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -8.802 -11.779 16.371 1.00 7.20 O ATOM 0 H GLU A 94 -9.003 -7.047 13.570 1.00 3.44 H new ATOM 0 HA GLU A 94 -11.296 -7.625 15.384 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -8.308 -8.129 15.705 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -9.511 -8.411 16.947 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -10.550 -10.166 15.687 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -9.673 -9.742 14.230 1.00 5.73 H new ATOM 1544 N THR A 95 -8.793 -5.684 16.257 1.00 3.56 N ATOM 1545 CA THR A 95 -8.437 -4.399 16.858 1.00 3.57 C ATOM 1546 C THR A 95 -7.290 -3.810 16.037 1.00 3.11 C ATOM 1547 O THR A 95 -6.317 -3.261 16.552 1.00 3.46 O ATOM 1548 CB THR A 95 -8.044 -4.579 18.330 1.00 4.37 C ATOM 1549 OG1 THR A 95 -8.966 -5.433 18.987 1.00 4.92 O ATOM 1550 CG2 THR A 95 -8.005 -3.280 19.108 1.00 4.79 C ATOM 0 H THR A 95 -8.007 -6.324 16.142 1.00 3.56 H new ATOM 0 HA THR A 95 -9.288 -3.718 16.845 1.00 3.57 H new ATOM 0 HB THR A 95 -7.040 -5.004 18.310 1.00 4.37 H new ATOM 0 HG1 THR A 95 -8.702 -5.540 19.925 1.00 4.92 H new ATOM 0 HG21 THR A 95 -7.720 -3.483 20.140 1.00 4.79 H new ATOM 0 HG22 THR A 95 -7.276 -2.607 18.656 1.00 4.79 H new ATOM 0 HG23 THR A 95 -8.990 -2.814 19.088 1.00 4.79 H new ATOM 1558 N SER A 96 -7.412 -4.014 14.735 1.00 2.83 N ATOM 1559 CA SER A 96 -6.407 -3.609 13.765 1.00 2.92 C ATOM 1560 C SER A 96 -6.577 -2.170 13.272 1.00 2.63 C ATOM 1561 O SER A 96 -5.828 -1.725 12.408 1.00 2.95 O ATOM 1562 CB SER A 96 -6.505 -4.552 12.572 1.00 3.49 C ATOM 1563 OG SER A 96 -6.672 -5.891 13.006 1.00 4.05 O ATOM 0 H SER A 96 -8.222 -4.471 14.317 1.00 2.83 H new ATOM 0 HA SER A 96 -5.435 -3.657 14.256 1.00 2.92 H new ATOM 0 HB2 SER A 96 -7.344 -4.262 11.940 1.00 3.49 H new ATOM 0 HB3 SER A 96 -5.605 -4.471 11.963 1.00 3.49 H new ATOM 0 HG SER A 96 -6.735 -6.482 12.227 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.537 -1.436 13.814 1.00 2.52 N ATOM 1570 CA GLU A 97 -7.753 -0.051 13.380 1.00 2.71 C ATOM 1571 C GLU A 97 -6.638 0.874 13.814 1.00 2.41 C ATOM 1572 O GLU A 97 -6.424 1.913 13.189 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.095 0.478 13.856 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.245 -0.070 13.032 1.00 3.93 C ATOM 1575 CD GLU A 97 -9.953 -0.014 11.542 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.000 1.095 10.968 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -9.641 -1.071 10.952 1.00 4.86 O ATOM 0 H GLU A 97 -8.172 -1.762 14.542 1.00 2.52 H new ATOM 0 HA GLU A 97 -7.754 -0.070 12.290 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -9.239 0.211 14.903 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.096 1.567 13.801 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -10.442 -1.101 13.325 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -11.149 0.500 13.246 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.922 0.495 14.864 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.813 1.307 15.347 1.00 1.95 C ATOM 1586 C TYR A 98 -3.826 1.518 14.218 1.00 1.56 C ATOM 1587 O TYR A 98 -3.454 2.649 13.905 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.121 0.646 16.542 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.896 0.758 17.832 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -6.148 0.172 17.972 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -4.383 1.471 18.902 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -6.864 0.291 19.149 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -5.086 1.590 20.084 1.00 4.46 C ATOM 1594 CZ TYR A 98 -6.328 0.999 20.204 1.00 4.66 C ATOM 1595 OH TYR A 98 -7.038 1.124 21.377 1.00 5.65 O ATOM 0 H TYR A 98 -6.087 -0.361 15.393 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.201 2.269 15.683 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.957 -0.408 16.318 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.139 1.100 16.678 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -6.569 -0.385 17.148 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -3.416 1.942 18.810 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -7.837 -0.168 19.241 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -4.666 2.143 20.911 1.00 4.46 H new ATOM 0 HH TYR A 98 -6.519 1.652 22.019 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.401 0.417 13.611 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.447 0.476 12.518 1.00 1.34 C ATOM 1607 C VAL A 99 -3.029 1.242 11.346 1.00 1.17 C ATOM 1608 O VAL A 99 -2.338 2.046 10.734 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.023 -0.935 12.051 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -1.151 -0.858 10.799 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -1.293 -1.659 13.169 1.00 1.91 C ATOM 0 H VAL A 99 -3.703 -0.525 13.859 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.563 0.993 12.890 1.00 1.34 H new ATOM 0 HB VAL A 99 -2.922 -1.498 11.798 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -0.866 -1.864 10.491 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -1.709 -0.377 9.996 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -0.254 -0.277 11.015 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -0.999 -2.652 12.828 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -0.404 -1.094 13.449 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -1.951 -1.752 14.033 1.00 1.91 H new ATOM 1621 N ARG A 100 -4.303 1.001 11.053 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.973 1.685 9.954 1.00 1.42 C ATOM 1623 C ARG A 100 -4.897 3.192 10.128 1.00 1.31 C ATOM 1624 O ARG A 100 -4.574 3.907 9.198 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.442 1.252 9.830 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.656 0.005 8.985 1.00 2.37 C ATOM 1627 CD ARG A 100 -5.858 -1.173 9.510 1.00 3.01 C ATOM 1628 NE ARG A 100 -6.071 -2.374 8.718 1.00 3.48 N ATOM 1629 CZ ARG A 100 -7.171 -3.114 8.760 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -7.943 -3.079 9.845 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -7.277 -4.133 7.921 1.00 4.93 N ATOM 0 H ARG A 100 -4.890 0.339 11.560 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.454 1.405 9.038 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.842 1.074 10.828 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.016 2.072 9.399 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.716 -0.250 8.974 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -6.367 0.210 7.954 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -4.797 -0.922 9.508 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -6.138 -1.368 10.545 1.00 3.01 H new ATOM 0 HE ARG A 100 -5.324 -2.667 8.088 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -7.686 -2.486 10.635 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -8.791 -3.645 9.886 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -6.523 -4.333 7.263 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -8.112 -4.718 7.932 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.187 3.668 11.327 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.147 5.095 11.598 1.00 1.43 C ATOM 1647 C LYS A 101 -3.717 5.631 11.511 1.00 1.27 C ATOM 1648 O LYS A 101 -3.483 6.728 11.015 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.733 5.384 12.978 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.205 5.029 13.118 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.053 5.607 12.003 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.548 4.521 11.053 1.00 2.79 C ATOM 1653 NZ LYS A 101 -9.450 3.552 11.735 1.00 3.24 N ATOM 0 H LYS A 101 -5.452 3.090 12.125 1.00 1.34 H new ATOM 0 HA LYS A 101 -5.747 5.602 10.842 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.165 4.830 13.725 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.604 6.443 13.201 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.314 3.945 13.127 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.573 5.395 14.076 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.906 6.134 12.430 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.471 6.341 11.446 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.076 4.982 10.219 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -7.694 3.989 10.634 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -9.277 2.596 11.363 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.263 3.565 12.758 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.440 3.818 11.561 1.00 3.24 H new ATOM 1667 N ALA A 102 -2.768 4.846 11.997 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.364 5.238 11.984 1.00 1.11 C ATOM 1669 C ALA A 102 -0.788 5.205 10.576 1.00 0.99 C ATOM 1670 O ALA A 102 -0.427 6.233 10.007 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.572 4.312 12.889 1.00 1.22 C ATOM 0 H ALA A 102 -2.944 3.929 12.408 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.293 6.263 12.348 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.478 4.605 12.880 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -0.958 4.379 13.906 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.666 3.286 12.532 1.00 1.22 H new ATOM 1677 N TRP A 103 -0.630 4.006 10.059 1.00 0.97 N ATOM 1678 CA TRP A 103 -0.032 3.795 8.754 1.00 1.01 C ATOM 1679 C TRP A 103 -0.713 4.602 7.645 1.00 0.93 C ATOM 1680 O TRP A 103 -0.052 4.990 6.691 1.00 1.00 O ATOM 1681 CB TRP A 103 0.034 2.295 8.437 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.023 1.760 7.524 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.334 1.544 7.817 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.843 1.352 6.164 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -2.981 1.029 6.723 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -2.089 0.911 5.694 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.251 1.322 5.294 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -2.272 0.447 4.394 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.066 0.864 4.003 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -1.183 0.433 3.563 1.00 0.98 C ATOM 0 H TRP A 103 -0.912 3.147 10.531 1.00 0.97 H new ATOM 0 HA TRP A 103 0.988 4.177 8.793 1.00 1.01 H new ATOM 0 HB2 TRP A 103 1.007 2.082 7.994 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -0.016 1.745 9.377 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.797 1.748 8.771 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -3.968 0.775 6.684 1.00 1.16 H new ATOM 0 HE3 TRP A 103 1.225 1.651 5.625 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 -3.239 0.110 4.052 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.905 0.840 3.323 1.00 0.73 H new ATOM 0 HH2 TRP A 103 -1.295 0.081 2.548 1.00 0.98 H new ATOM 1701 N LEU A 104 -2.003 4.907 7.783 1.00 0.95 N ATOM 1702 CA LEU A 104 -2.685 5.717 6.784 1.00 1.12 C ATOM 1703 C LEU A 104 -2.138 7.144 6.886 1.00 1.10 C ATOM 1704 O LEU A 104 -1.929 7.822 5.889 1.00 1.40 O ATOM 1705 CB LEU A 104 -4.203 5.577 6.983 1.00 1.35 C ATOM 1706 CG LEU A 104 -5.137 6.638 6.411 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -5.254 7.794 7.392 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -4.706 7.095 5.023 1.00 2.27 C ATOM 0 H LEU A 104 -2.586 4.609 8.565 1.00 0.95 H new ATOM 0 HA LEU A 104 -2.498 5.388 5.762 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -4.501 4.618 6.560 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -4.388 5.523 8.056 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.125 6.198 6.279 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -5.922 8.552 6.983 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -5.655 7.429 8.338 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -4.269 8.230 7.560 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -5.401 7.851 4.657 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -3.703 7.519 5.075 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -4.705 6.243 4.343 1.00 2.27 H new ATOM 1720 N ARG A 105 -1.903 7.573 8.116 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.351 8.904 8.368 1.00 1.18 C ATOM 1722 C ARG A 105 -0.030 9.052 7.599 1.00 1.08 C ATOM 1723 O ARG A 105 0.298 10.138 7.126 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.103 9.143 9.861 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.347 9.474 10.660 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.005 9.691 12.126 1.00 2.29 C ATOM 1727 NE ARG A 105 -3.169 10.064 12.928 1.00 2.86 N ATOM 1728 CZ ARG A 105 -3.100 10.364 14.227 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -1.916 10.603 14.784 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -4.207 10.682 14.894 1.00 4.52 N ATOM 0 H ARG A 105 -2.084 7.024 8.956 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.076 9.644 8.029 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -0.640 8.253 10.286 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.388 9.958 9.972 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -2.817 10.370 10.255 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.071 8.664 10.567 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.567 8.779 12.531 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -1.248 10.471 12.207 1.00 2.29 H new ATOM 0 HE ARG A 105 -4.081 10.097 12.472 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.068 10.557 14.219 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -1.856 10.833 15.776 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -5.106 10.696 14.413 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -4.156 10.911 15.887 1.00 4.52 H new ATOM 1744 N ASP A 106 0.694 7.932 7.447 1.00 0.95 N ATOM 1745 CA ASP A 106 1.962 7.887 6.700 1.00 0.99 C ATOM 1746 C ASP A 106 1.693 7.954 5.192 1.00 0.96 C ATOM 1747 O ASP A 106 2.571 8.292 4.396 1.00 1.17 O ATOM 1748 CB ASP A 106 2.729 6.614 7.058 1.00 1.09 C ATOM 1749 CG ASP A 106 4.209 6.849 7.308 1.00 1.46 C ATOM 1750 OD1 ASP A 106 4.870 7.500 6.480 1.00 2.18 O ATOM 1751 OD2 ASP A 106 4.721 6.368 8.342 1.00 1.76 O ATOM 0 H ASP A 106 0.417 7.032 7.838 1.00 0.95 H new ATOM 0 HA ASP A 106 2.570 8.749 6.975 1.00 0.99 H new ATOM 0 HB2 ASP A 106 2.284 6.169 7.948 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.615 5.891 6.250 1.00 1.09 H new ATOM 1756 N ILE A 107 0.440 7.689 4.832 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.022 7.775 3.445 1.00 1.04 C ATOM 1758 C ILE A 107 -0.283 9.246 3.138 1.00 1.23 C ATOM 1759 O ILE A 107 -0.004 9.739 2.047 1.00 1.43 O ATOM 1760 CB ILE A 107 -1.314 6.934 3.185 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -0.962 5.525 2.693 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.239 7.615 2.180 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -0.345 4.619 3.740 1.00 1.45 C ATOM 0 H ILE A 107 -0.286 7.408 5.492 1.00 0.92 H new ATOM 0 HA ILE A 107 0.746 7.361 2.792 1.00 1.04 H new ATOM 0 HB ILE A 107 -1.840 6.858 4.136 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -1.867 5.052 2.312 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -0.271 5.611 1.855 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.125 7.000 2.026 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -2.537 8.591 2.563 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -1.716 7.742 1.232 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.131 3.646 3.298 1.00 1.45 H new ATOM 0 HD12 ILE A 107 0.581 5.063 4.105 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.041 4.496 4.570 1.00 1.45 H new ATOM 1775 N ALA A 108 -0.817 9.938 4.142 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.118 11.359 4.042 1.00 1.52 C ATOM 1777 C ALA A 108 0.171 12.175 3.964 1.00 1.59 C ATOM 1778 O ALA A 108 0.417 12.867 2.978 1.00 1.92 O ATOM 1779 CB ALA A 108 -1.967 11.802 5.224 1.00 1.62 C ATOM 0 H ALA A 108 -1.052 9.527 5.046 1.00 1.25 H new ATOM 0 HA ALA A 108 -1.685 11.532 3.127 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.185 12.866 5.137 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -2.901 11.240 5.232 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.424 11.617 6.151 1.00 1.62 H new ATOM 1785 N GLU A 109 1.002 12.062 5.001 1.00 1.39 N ATOM 1786 CA GLU A 109 2.289 12.766 5.054 1.00 1.50 C ATOM 1787 C GLU A 109 3.337 12.058 4.187 1.00 1.43 C ATOM 1788 O GLU A 109 4.474 11.821 4.613 1.00 1.70 O ATOM 1789 CB GLU A 109 2.787 12.890 6.500 1.00 1.69 C ATOM 1790 CG GLU A 109 2.897 11.558 7.236 1.00 1.73 C ATOM 1791 CD GLU A 109 3.787 11.635 8.454 1.00 2.07 C ATOM 1792 OE1 GLU A 109 5.023 11.728 8.290 1.00 2.40 O ATOM 1793 OE2 GLU A 109 3.261 11.620 9.582 1.00 2.56 O ATOM 0 H GLU A 109 0.807 11.487 5.821 1.00 1.39 H new ATOM 0 HA GLU A 109 2.136 13.769 4.657 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.764 13.373 6.497 1.00 1.69 H new ATOM 0 HB3 GLU A 109 2.111 13.543 7.051 1.00 1.69 H new ATOM 0 HG2 GLU A 109 1.902 11.232 7.539 1.00 1.73 H new ATOM 0 HG3 GLU A 109 3.286 10.802 6.554 1.00 1.73 H new ATOM 1800 N GLU A 110 2.942 11.722 2.970 1.00 1.49 N ATOM 1801 CA GLU A 110 3.810 11.039 2.031 1.00 1.63 C ATOM 1802 C GLU A 110 5.012 11.903 1.662 1.00 1.78 C ATOM 1803 O GLU A 110 4.901 12.851 0.884 1.00 2.20 O ATOM 1804 CB GLU A 110 3.011 10.623 0.792 1.00 2.09 C ATOM 1805 CG GLU A 110 2.332 11.783 0.064 1.00 2.83 C ATOM 1806 CD GLU A 110 1.849 11.415 -1.322 1.00 3.38 C ATOM 1807 OE1 GLU A 110 0.952 10.565 -1.436 1.00 3.86 O ATOM 1808 OE2 GLU A 110 2.368 11.987 -2.305 1.00 3.86 O ATOM 0 H GLU A 110 2.009 11.916 2.607 1.00 1.49 H new ATOM 0 HA GLU A 110 4.201 10.139 2.505 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.679 10.114 0.097 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.251 9.901 1.090 1.00 2.09 H new ATOM 0 HG2 GLU A 110 1.486 12.130 0.657 1.00 2.83 H new ATOM 0 HG3 GLU A 110 3.031 12.616 -0.011 1.00 2.83 H new ATOM 1815 N GLN A 111 6.158 11.554 2.246 1.00 1.93 N ATOM 1816 CA GLN A 111 7.419 12.261 2.036 1.00 2.44 C ATOM 1817 C GLN A 111 7.226 13.784 2.012 1.00 2.84 C ATOM 1818 O GLN A 111 7.717 14.467 1.115 1.00 3.22 O ATOM 1819 CB GLN A 111 8.076 11.789 0.735 1.00 2.97 C ATOM 1820 CG GLN A 111 9.576 12.013 0.723 1.00 3.66 C ATOM 1821 CD GLN A 111 10.250 11.587 -0.571 1.00 4.54 C ATOM 1822 OE1 GLN A 111 11.462 11.746 -0.725 1.00 5.12 O ATOM 1823 NE2 GLN A 111 9.486 11.034 -1.506 1.00 5.02 N ATOM 0 H GLN A 111 6.237 10.763 2.885 1.00 1.93 H new ATOM 0 HA GLN A 111 8.072 12.028 2.877 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.870 10.728 0.593 1.00 2.97 H new ATOM 0 HB3 GLN A 111 7.627 12.317 -0.106 1.00 2.97 H new ATOM 0 HG2 GLN A 111 9.777 13.070 0.896 1.00 3.66 H new ATOM 0 HG3 GLN A 111 10.023 11.464 1.552 1.00 3.66 H new ATOM 0 HE21 GLN A 111 8.486 10.918 -1.344 1.00 5.02 H new ATOM 0 HE22 GLN A 111 9.900 10.725 -2.386 1.00 5.02 H new