USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 81 ASN : amide:sc= -2.35 K(o=-0.72,f=-2.1) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -163:sc= 1.63 (180deg=1.16) USER MOD Set 2.1: A 78 MET CE :methyl 150:sc= -4.19! (180deg=-6.69!) USER MOD Set 2.2: A 110 THR OG1 : rot 64:sc= 0.863 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -4.23! C(o=-7.9!,f=-4.2!) USER MOD Single : A 19 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.147 F(o=-1.6!,f=-0.15) USER MOD Single : A 26 ASN : amide:sc= -0.261 K(o=-0.26,f=-0.99) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.02 K(o=1,f=-0.35) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 34:sc= 0.0429 USER MOD Single : A 72 GLN : amide:sc= -3.04! C(o=-3!,f=-5.3!) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.498) USER MOD Single : A 79 GLN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 85 MET CE :methyl -146:sc= -6.25! (180deg=-8.03!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 90 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-4.2!) USER MOD Single : A 92 GLN : amide:sc= 0.293 K(o=0.29,f=-5.5!) USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= -0.0648 (180deg=-0.489) USER MOD Single : A 98 THR OG1 : rot 75:sc= 0.506 USER MOD Single : A 101 SER OG : rot 106:sc= 1.1 USER MOD Single : A 112 GLN : amide:sc= -2.55! X(o=-2.6!,f=-2.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0.305 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -14.523 6.563 3.766 1.00 1.00 N ATOM 140 CA THR A 10 -14.665 5.420 4.644 1.00 1.07 C ATOM 141 C THR A 10 -14.094 4.172 4.002 1.00 0.92 C ATOM 142 O THR A 10 -14.768 3.369 3.359 1.00 0.99 O ATOM 143 CB THR A 10 -16.109 5.213 5.104 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.231 4.025 5.903 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.043 5.151 3.920 1.00 1.90 C ATOM 0 HA THR A 10 -14.086 5.629 5.544 1.00 1.07 H new ATOM 0 HB THR A 10 -16.389 6.067 5.721 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.163 3.915 6.186 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.065 5.003 4.270 1.00 1.90 H new ATOM 0 HG22 THR A 10 -16.983 6.084 3.360 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.757 4.321 3.274 1.00 1.90 H new ATOM 153 N ALA A 11 -12.810 4.079 4.161 1.00 0.83 N ATOM 154 CA ALA A 11 -12.046 2.945 3.719 1.00 0.74 C ATOM 155 C ALA A 11 -11.675 2.096 4.917 1.00 0.77 C ATOM 156 O ALA A 11 -11.637 2.584 6.047 1.00 0.96 O ATOM 157 CB ALA A 11 -10.801 3.408 2.983 1.00 0.70 C ATOM 0 H ALA A 11 -12.249 4.802 4.611 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.644 2.347 3.031 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.230 2.540 2.653 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.091 4.003 2.117 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.188 4.013 3.650 1.00 0.70 H new ATOM 163 N VAL A 12 -11.395 0.840 4.672 1.00 0.65 N ATOM 164 CA VAL A 12 -11.046 -0.073 5.743 1.00 0.72 C ATOM 165 C VAL A 12 -9.541 -0.240 5.795 1.00 0.54 C ATOM 166 O VAL A 12 -8.899 -0.549 4.789 1.00 0.54 O ATOM 167 CB VAL A 12 -11.737 -1.455 5.612 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.238 -1.318 5.816 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.445 -2.097 4.263 1.00 1.38 C ATOM 0 H VAL A 12 -11.401 0.422 3.742 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.408 0.365 6.673 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.331 -2.105 6.387 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.709 -2.296 5.721 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.435 -0.915 6.810 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.647 -0.644 5.064 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -11.944 -3.064 4.205 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -11.811 -1.451 3.465 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.370 -2.237 4.152 1.00 1.38 H new ATOM 179 N VAL A 13 -8.972 0.000 6.959 1.00 0.52 N ATOM 180 CA VAL A 13 -7.532 -0.046 7.104 1.00 0.44 C ATOM 181 C VAL A 13 -7.032 -1.481 7.168 1.00 0.41 C ATOM 182 O VAL A 13 -7.080 -2.143 8.205 1.00 0.50 O ATOM 183 CB VAL A 13 -7.058 0.726 8.340 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.540 0.705 8.446 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.577 2.157 8.300 1.00 1.02 C ATOM 0 H VAL A 13 -9.481 0.227 7.813 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.112 0.435 6.221 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.461 0.236 9.226 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.229 1.260 9.331 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.195 -0.326 8.524 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.107 1.166 7.558 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.233 2.694 9.184 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.204 2.655 7.405 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.667 2.148 8.282 1.00 1.02 H new ATOM 195 N GLN A 14 -6.588 -1.944 6.026 1.00 0.37 N ATOM 196 CA GLN A 14 -5.988 -3.246 5.868 1.00 0.40 C ATOM 197 C GLN A 14 -4.474 -3.120 5.941 1.00 0.32 C ATOM 198 O GLN A 14 -3.923 -2.183 5.418 1.00 0.41 O ATOM 199 CB GLN A 14 -6.432 -3.780 4.511 1.00 0.51 C ATOM 200 CG GLN A 14 -5.591 -4.905 3.969 1.00 0.53 C ATOM 201 CD GLN A 14 -4.645 -4.464 2.883 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.420 -4.151 3.265 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -5.003 -4.426 1.712 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.635 -1.412 5.157 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.298 -3.930 6.657 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -7.464 -4.122 4.591 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -6.423 -2.960 3.793 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -5.018 -5.348 4.784 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -6.245 -5.685 3.579 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.960 -4.677 1.463 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.344 -4.144 0.986 1.00 0.55 H new ATOM 212 N ARG A 15 -3.775 -4.025 6.583 1.00 0.32 N ATOM 213 CA ARG A 15 -2.336 -3.925 6.584 1.00 0.39 C ATOM 214 C ARG A 15 -1.695 -5.205 6.093 1.00 0.33 C ATOM 215 O ARG A 15 -2.017 -6.298 6.552 1.00 0.55 O ATOM 216 CB ARG A 15 -1.796 -3.497 7.945 1.00 0.70 C ATOM 217 CG ARG A 15 -2.322 -4.276 9.131 1.00 0.75 C ATOM 218 CD ARG A 15 -1.298 -5.282 9.615 1.00 1.44 C ATOM 219 NE ARG A 15 -1.641 -5.819 10.932 1.00 2.26 N ATOM 220 CZ ARG A 15 -0.885 -6.674 11.617 1.00 2.85 C ATOM 221 NH1 ARG A 15 0.243 -7.149 11.100 1.00 2.98 N ATOM 222 NH2 ARG A 15 -1.266 -7.055 12.826 1.00 3.63 N ATOM 0 H ARG A 15 -4.164 -4.816 7.097 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.063 -3.138 5.881 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -0.710 -3.584 7.929 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -2.029 -2.443 8.093 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.573 -3.589 9.939 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -3.241 -4.792 8.853 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -1.225 -6.099 8.898 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -0.317 -4.809 9.660 1.00 1.44 H new ATOM 0 HE ARG A 15 -2.519 -5.518 11.354 1.00 2.26 H new ATOM 0 HH11 ARG A 15 0.539 -6.859 10.168 1.00 2.98 H new ATOM 0 HH12 ARG A 15 0.813 -7.804 11.635 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -2.132 -6.694 13.225 1.00 3.63 H new ATOM 0 HH22 ARG A 15 -0.693 -7.710 13.358 1.00 3.63 H new ATOM 236 N VAL A 16 -0.800 -5.047 5.139 1.00 0.25 N ATOM 237 CA VAL A 16 -0.125 -6.154 4.523 1.00 0.30 C ATOM 238 C VAL A 16 1.187 -6.437 5.241 1.00 0.26 C ATOM 239 O VAL A 16 1.945 -5.522 5.559 1.00 0.40 O ATOM 240 CB VAL A 16 0.127 -5.858 3.023 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.171 -6.780 2.421 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.172 -5.965 2.245 1.00 0.64 C ATOM 0 H VAL A 16 -0.524 -4.136 4.772 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.757 -7.039 4.600 1.00 0.30 H new ATOM 0 HB VAL A 16 0.514 -4.841 2.954 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.312 -6.533 1.369 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.115 -6.657 2.952 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.837 -7.814 2.509 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -0.984 -5.755 1.192 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.576 -6.972 2.348 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -1.891 -5.245 2.636 1.00 0.64 H new ATOM 252 N GLU A 17 1.428 -7.698 5.517 1.00 0.22 N ATOM 253 CA GLU A 17 2.653 -8.126 6.162 1.00 0.25 C ATOM 254 C GLU A 17 3.185 -9.354 5.447 1.00 0.24 C ATOM 255 O GLU A 17 2.558 -10.413 5.474 1.00 0.28 O ATOM 256 CB GLU A 17 2.393 -8.430 7.640 1.00 0.33 C ATOM 257 CG GLU A 17 3.585 -9.016 8.378 1.00 0.44 C ATOM 258 CD GLU A 17 3.274 -9.274 9.835 1.00 0.75 C ATOM 259 OE1 GLU A 17 2.281 -9.970 10.126 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.033 -8.793 10.698 1.00 1.31 O ATOM 0 H GLU A 17 0.782 -8.458 5.302 1.00 0.22 H new ATOM 0 HA GLU A 17 3.396 -7.330 6.107 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.088 -7.511 8.140 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.557 -9.126 7.714 1.00 0.33 H new ATOM 0 HG2 GLU A 17 3.885 -9.948 7.900 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.431 -8.332 8.303 1.00 0.44 H new ATOM 267 N ILE A 18 4.321 -9.214 4.781 1.00 0.24 N ATOM 268 CA ILE A 18 4.871 -10.306 4.033 1.00 0.24 C ATOM 269 C ILE A 18 6.381 -10.230 4.147 1.00 0.27 C ATOM 270 O ILE A 18 6.953 -9.140 4.153 1.00 0.33 O ATOM 271 CB ILE A 18 4.383 -10.241 2.554 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.195 -11.640 1.954 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.319 -9.412 1.684 1.00 0.27 C ATOM 274 CD1 ILE A 18 5.462 -12.436 1.818 1.00 0.61 C ATOM 0 H ILE A 18 4.869 -8.354 4.750 1.00 0.24 H new ATOM 0 HA ILE A 18 4.535 -11.265 4.428 1.00 0.24 H new ATOM 0 HB ILE A 18 3.412 -9.747 2.570 1.00 0.24 H new ATOM 0 HG12 ILE A 18 3.496 -12.198 2.577 1.00 0.34 H new ATOM 0 HG13 ILE A 18 3.736 -11.541 0.970 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.943 -9.392 0.661 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.370 -8.395 2.072 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.315 -9.855 1.696 1.00 0.27 H new ATOM 0 HD11 ILE A 18 5.235 -13.410 1.386 1.00 0.61 H new ATOM 0 HD12 ILE A 18 6.158 -11.904 1.169 1.00 0.61 H new ATOM 0 HD13 ILE A 18 5.914 -12.571 2.801 1.00 0.61 H new ATOM 286 N HIS A 19 7.026 -11.364 4.309 1.00 0.30 N ATOM 287 CA HIS A 19 8.466 -11.374 4.430 1.00 0.33 C ATOM 288 C HIS A 19 9.078 -11.109 3.071 1.00 0.35 C ATOM 289 O HIS A 19 8.866 -11.880 2.134 1.00 0.40 O ATOM 290 CB HIS A 19 8.962 -12.694 5.028 1.00 0.39 C ATOM 291 CG HIS A 19 8.614 -12.847 6.479 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.536 -13.161 7.458 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.428 -12.709 7.120 1.00 0.46 C ATOM 294 CE1 HIS A 19 8.927 -13.212 8.632 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.652 -12.939 8.452 1.00 0.56 N ATOM 0 H HIS A 19 6.582 -12.281 4.360 1.00 0.30 H new ATOM 0 HA HIS A 19 8.777 -10.586 5.115 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.533 -13.524 4.468 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.044 -12.756 4.911 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.480 -12.463 6.664 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.397 -13.439 9.578 1.00 0.60 H new ATOM 0 HE2 HIS A 19 6.945 -12.904 9.186 1.00 0.56 H new ATOM 304 N LYS A 20 9.762 -9.961 2.982 1.00 0.34 N ATOM 305 CA LYS A 20 10.421 -9.486 1.755 1.00 0.36 C ATOM 306 C LYS A 20 10.924 -10.640 0.876 1.00 0.36 C ATOM 307 O LYS A 20 11.422 -11.658 1.377 1.00 0.42 O ATOM 308 CB LYS A 20 11.578 -8.532 2.114 1.00 0.40 C ATOM 309 CG LYS A 20 12.954 -9.179 2.272 1.00 1.42 C ATOM 310 CD LYS A 20 13.031 -10.113 3.468 1.00 2.33 C ATOM 311 CE LYS A 20 14.467 -10.502 3.786 1.00 3.13 C ATOM 312 NZ LYS A 20 15.138 -11.200 2.661 1.00 4.00 N ATOM 0 H LYS A 20 9.876 -9.325 3.772 1.00 0.34 H new ATOM 0 HA LYS A 20 9.676 -8.947 1.170 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.645 -7.766 1.341 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.328 -8.024 3.045 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.195 -9.735 1.366 1.00 1.42 H new ATOM 0 HG3 LYS A 20 13.708 -8.399 2.377 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.584 -9.630 4.337 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.447 -11.011 3.267 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.033 -9.606 4.041 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.478 -11.146 4.665 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 16.082 -11.516 2.962 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 14.571 -12.024 2.377 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.231 -10.549 1.855 1.00 4.00 H new ATOM 326 N LEU A 21 10.838 -10.473 -0.436 1.00 0.33 N ATOM 327 CA LEU A 21 11.121 -11.586 -1.327 1.00 0.37 C ATOM 328 C LEU A 21 12.568 -11.531 -1.785 1.00 0.41 C ATOM 329 O LEU A 21 12.921 -10.784 -2.688 1.00 0.45 O ATOM 330 CB LEU A 21 10.169 -11.578 -2.527 1.00 0.38 C ATOM 331 CG LEU A 21 10.219 -12.830 -3.411 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.816 -14.066 -2.615 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.315 -12.661 -4.620 1.00 0.48 C ATOM 0 H LEU A 21 10.581 -9.600 -0.897 1.00 0.33 H new ATOM 0 HA LEU A 21 10.963 -12.517 -0.783 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.150 -11.452 -2.161 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.396 -10.708 -3.144 1.00 0.38 H new ATOM 0 HG LEU A 21 11.243 -12.964 -3.759 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.858 -14.944 -3.260 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.501 -14.198 -1.777 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.801 -13.941 -2.238 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.362 -13.558 -5.237 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.289 -12.502 -4.288 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.645 -11.801 -5.204 1.00 0.48 H new ATOM 345 N ARG A 22 13.395 -12.308 -1.105 1.00 0.51 N ATOM 346 CA ARG A 22 14.824 -12.370 -1.378 1.00 0.61 C ATOM 347 C ARG A 22 15.102 -12.706 -2.840 1.00 0.60 C ATOM 348 O ARG A 22 14.526 -13.635 -3.411 1.00 0.66 O ATOM 349 CB ARG A 22 15.521 -13.385 -0.456 1.00 0.88 C ATOM 350 CG ARG A 22 15.145 -14.845 -0.692 1.00 1.19 C ATOM 351 CD ARG A 22 13.715 -15.137 -0.277 1.00 1.94 C ATOM 352 NE ARG A 22 13.368 -16.546 -0.431 1.00 2.47 N ATOM 353 CZ ARG A 22 12.146 -17.039 -0.226 1.00 3.28 C ATOM 354 NH1 ARG A 22 11.153 -16.237 0.141 1.00 3.78 N ATOM 355 NH2 ARG A 22 11.931 -18.335 -0.383 1.00 3.97 N ATOM 0 H ARG A 22 13.094 -12.917 -0.344 1.00 0.51 H new ATOM 0 HA ARG A 22 15.233 -11.380 -1.175 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.599 -13.280 -0.577 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.290 -13.130 0.578 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.273 -15.086 -1.747 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.824 -15.489 -0.133 1.00 1.19 H new ATOM 0 HD2 ARG A 22 13.574 -14.842 0.763 1.00 1.94 H new ATOM 0 HD3 ARG A 22 13.035 -14.531 -0.875 1.00 1.94 H new ATOM 0 HE ARG A 22 14.105 -17.193 -0.712 1.00 2.47 H new ATOM 0 HH11 ARG A 22 11.323 -15.239 0.267 1.00 3.78 H new ATOM 0 HH12 ARG A 22 10.220 -16.619 0.297 1.00 3.78 H new ATOM 0 HH21 ARG A 22 12.697 -18.949 -0.659 1.00 3.97 H new ATOM 0 HH22 ARG A 22 10.999 -18.720 -0.228 1.00 3.97 H new ATOM 369 N GLN A 23 15.975 -11.923 -3.427 1.00 0.68 N ATOM 370 CA GLN A 23 16.392 -12.104 -4.795 1.00 0.81 C ATOM 371 C GLN A 23 17.884 -11.850 -4.882 1.00 0.93 C ATOM 372 O GLN A 23 18.301 -10.696 -4.853 1.00 1.02 O ATOM 373 CB GLN A 23 15.667 -11.107 -5.691 1.00 0.90 C ATOM 374 CG GLN A 23 15.629 -11.526 -7.141 1.00 1.04 C ATOM 375 CD GLN A 23 14.730 -12.727 -7.377 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.688 -12.865 -6.567 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.971 -13.529 -8.276 1.00 0.69 N flip ATOM 0 H GLN A 23 16.421 -11.133 -2.961 1.00 0.68 H new ATOM 0 HA GLN A 23 16.157 -13.118 -5.120 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.647 -10.980 -5.330 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.156 -10.136 -5.613 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.280 -10.691 -7.748 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.640 -11.762 -7.474 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.782 -13.390 -8.879 1.00 0.69 H new ATOM 0 HE22 GLN A 23 14.360 -14.333 -8.419 1.00 0.69 H new ATOM 386 N GLY A 24 18.682 -12.906 -4.951 1.00 1.03 N ATOM 387 CA GLY A 24 20.117 -12.744 -4.937 1.00 1.19 C ATOM 388 C GLY A 24 20.582 -12.131 -3.639 1.00 1.23 C ATOM 389 O GLY A 24 20.803 -12.834 -2.653 1.00 1.33 O ATOM 0 H GLY A 24 18.359 -13.871 -5.016 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.597 -13.713 -5.078 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.423 -12.113 -5.771 1.00 1.19 H new ATOM 393 N GLU A 25 20.682 -10.814 -3.626 1.00 1.27 N ATOM 394 CA GLU A 25 21.122 -10.092 -2.448 1.00 1.43 C ATOM 395 C GLU A 25 20.117 -9.013 -2.075 1.00 1.40 C ATOM 396 O GLU A 25 20.287 -8.302 -1.090 1.00 1.61 O ATOM 397 CB GLU A 25 22.487 -9.465 -2.711 1.00 1.67 C ATOM 398 CG GLU A 25 23.533 -10.479 -3.134 1.00 1.84 C ATOM 399 CD GLU A 25 24.840 -9.829 -3.532 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.993 -9.478 -4.715 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.719 -9.656 -2.658 1.00 2.33 O ATOM 0 H GLU A 25 20.462 -10.220 -4.425 1.00 1.27 H new ATOM 0 HA GLU A 25 21.200 -10.792 -1.616 1.00 1.43 H new ATOM 0 HB2 GLU A 25 22.389 -8.707 -3.488 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.827 -8.955 -1.809 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.712 -11.176 -2.315 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.151 -11.063 -3.971 1.00 1.84 H new ATOM 408 N ASN A 26 19.059 -8.910 -2.862 1.00 1.21 N ATOM 409 CA ASN A 26 18.087 -7.834 -2.700 1.00 1.23 C ATOM 410 C ASN A 26 16.757 -8.388 -2.230 1.00 1.05 C ATOM 411 O ASN A 26 16.632 -9.584 -1.960 1.00 1.06 O ATOM 412 CB ASN A 26 17.875 -7.079 -4.017 1.00 1.31 C ATOM 413 CG ASN A 26 19.010 -7.268 -4.997 1.00 1.39 C ATOM 414 OD1 ASN A 26 19.986 -6.517 -4.999 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.881 -8.286 -5.828 1.00 1.33 N ATOM 0 H ASN A 26 18.848 -9.558 -3.621 1.00 1.21 H new ATOM 0 HA ASN A 26 18.482 -7.144 -1.954 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.946 -7.416 -4.477 1.00 1.31 H new ATOM 0 HB3 ASN A 26 17.759 -6.016 -3.805 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.611 -8.480 -6.513 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.052 -8.878 -5.784 1.00 1.33 H new ATOM 422 N LEU A 27 15.768 -7.513 -2.127 1.00 0.95 N ATOM 423 CA LEU A 27 14.424 -7.915 -1.777 1.00 0.82 C ATOM 424 C LEU A 27 13.481 -7.436 -2.867 1.00 0.71 C ATOM 425 O LEU A 27 13.685 -6.370 -3.449 1.00 0.81 O ATOM 426 CB LEU A 27 13.997 -7.335 -0.419 1.00 0.93 C ATOM 427 CG LEU A 27 13.395 -5.923 -0.453 1.00 1.28 C ATOM 428 CD1 LEU A 27 12.802 -5.560 0.899 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.438 -4.891 -0.860 1.00 1.62 C ATOM 0 H LEU A 27 15.878 -6.511 -2.284 1.00 0.95 H new ATOM 0 HA LEU A 27 14.389 -9.001 -1.692 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.267 -8.009 0.029 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.866 -7.323 0.239 1.00 0.93 H new ATOM 0 HG LEU A 27 12.600 -5.919 -1.199 1.00 1.28 H new ATOM 0 HD11 LEU A 27 12.381 -4.556 0.854 1.00 2.28 H new ATOM 0 HD12 LEU A 27 12.017 -6.272 1.155 1.00 2.28 H new ATOM 0 HD13 LEU A 27 13.583 -5.592 1.659 1.00 2.28 H new ATOM 0 HD21 LEU A 27 13.983 -3.901 -0.875 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.259 -4.902 -0.144 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.819 -5.131 -1.853 1.00 1.62 H new ATOM 441 N ILE A 28 12.487 -8.231 -3.175 1.00 0.57 N ATOM 442 CA ILE A 28 11.500 -7.842 -4.153 1.00 0.52 C ATOM 443 C ILE A 28 10.189 -7.495 -3.471 1.00 0.44 C ATOM 444 O ILE A 28 9.712 -8.227 -2.593 1.00 0.43 O ATOM 445 CB ILE A 28 11.302 -8.945 -5.230 1.00 0.53 C ATOM 446 CG1 ILE A 28 12.103 -8.603 -6.490 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.831 -9.142 -5.583 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.573 -8.352 -6.238 1.00 0.80 C ATOM 0 H ILE A 28 12.339 -9.152 -2.763 1.00 0.57 H new ATOM 0 HA ILE A 28 11.864 -6.953 -4.667 1.00 0.52 H new ATOM 0 HB ILE A 28 11.668 -9.882 -4.809 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.002 -9.420 -7.205 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.669 -7.718 -6.955 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.740 -9.922 -6.339 1.00 0.47 H new ATOM 0 HG22 ILE A 28 9.279 -9.436 -4.690 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.422 -8.210 -5.972 1.00 0.47 H new ATOM 0 HD11 ILE A 28 14.069 -8.117 -7.180 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.686 -7.515 -5.549 1.00 0.80 H new ATOM 0 HD13 ILE A 28 14.025 -9.243 -5.803 1.00 0.80 H new ATOM 460 N LEU A 29 9.650 -6.343 -3.844 1.00 0.51 N ATOM 461 CA LEU A 29 8.328 -5.942 -3.421 1.00 0.55 C ATOM 462 C LEU A 29 7.349 -6.315 -4.521 1.00 0.73 C ATOM 463 O LEU A 29 7.446 -5.832 -5.649 1.00 1.74 O ATOM 464 CB LEU A 29 8.252 -4.435 -3.092 1.00 0.71 C ATOM 465 CG LEU A 29 8.609 -3.451 -4.225 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.927 -2.110 -3.994 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.116 -3.237 -4.323 1.00 1.33 C ATOM 0 H LEU A 29 10.120 -5.667 -4.446 1.00 0.51 H new ATOM 0 HA LEU A 29 8.074 -6.462 -2.497 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.239 -4.212 -2.757 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.917 -4.238 -2.251 1.00 0.71 H new ATOM 0 HG LEU A 29 8.258 -3.887 -5.160 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.188 -1.425 -4.801 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.846 -2.250 -3.972 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.258 -1.693 -3.043 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.332 -2.538 -5.131 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.488 -2.830 -3.383 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.606 -4.189 -4.525 1.00 1.33 H new ATOM 479 N GLY A 30 6.423 -7.198 -4.197 1.00 0.40 N ATOM 480 CA GLY A 30 5.552 -7.760 -5.206 1.00 0.32 C ATOM 481 C GLY A 30 4.385 -6.865 -5.563 1.00 0.35 C ATOM 482 O GLY A 30 3.258 -7.331 -5.659 1.00 0.69 O ATOM 0 H GLY A 30 6.257 -7.538 -3.250 1.00 0.40 H new ATOM 0 HA2 GLY A 30 6.134 -7.961 -6.106 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.170 -8.718 -4.852 1.00 0.32 H new ATOM 486 N PHE A 31 4.648 -5.584 -5.721 1.00 0.29 N ATOM 487 CA PHE A 31 3.636 -4.622 -6.099 1.00 0.28 C ATOM 488 C PHE A 31 4.281 -3.391 -6.713 1.00 0.31 C ATOM 489 O PHE A 31 5.470 -3.151 -6.518 1.00 0.42 O ATOM 490 CB PHE A 31 2.792 -4.230 -4.884 1.00 0.28 C ATOM 491 CG PHE A 31 3.600 -3.831 -3.673 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.995 -2.517 -3.479 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.951 -4.775 -2.720 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.725 -2.155 -2.365 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.684 -4.417 -1.604 1.00 0.42 C ATOM 496 CZ PHE A 31 5.068 -3.107 -1.426 1.00 0.51 C ATOM 0 H PHE A 31 5.575 -5.180 -5.590 1.00 0.29 H new ATOM 0 HA PHE A 31 2.983 -5.080 -6.842 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.140 -3.402 -5.161 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.148 -5.068 -4.617 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.728 -1.767 -4.209 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.648 -5.803 -2.851 1.00 0.33 H new ATOM 0 HE1 PHE A 31 5.028 -1.127 -2.228 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.955 -5.164 -0.873 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.637 -2.824 -0.553 1.00 0.51 H new ATOM 506 N SER A 32 3.505 -2.618 -7.456 1.00 0.25 N ATOM 507 CA SER A 32 3.968 -1.321 -7.909 1.00 0.23 C ATOM 508 C SER A 32 3.287 -0.279 -7.051 1.00 0.23 C ATOM 509 O SER A 32 2.255 -0.559 -6.459 1.00 0.29 O ATOM 510 CB SER A 32 3.664 -1.095 -9.388 1.00 0.25 C ATOM 511 OG SER A 32 4.294 0.077 -9.880 1.00 0.53 O ATOM 0 H SER A 32 2.561 -2.865 -7.755 1.00 0.25 H new ATOM 0 HA SER A 32 5.052 -1.257 -7.810 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.999 -1.957 -9.964 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.586 -1.016 -9.530 1.00 0.25 H new ATOM 0 HG SER A 32 4.079 0.190 -10.830 1.00 0.53 H new ATOM 517 N ILE A 33 3.832 0.912 -6.994 1.00 0.23 N ATOM 518 CA ILE A 33 3.437 1.859 -5.968 1.00 0.25 C ATOM 519 C ILE A 33 3.800 3.282 -6.346 1.00 0.25 C ATOM 520 O ILE A 33 4.862 3.526 -6.911 1.00 0.32 O ATOM 521 CB ILE A 33 4.158 1.501 -4.643 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.153 2.684 -3.659 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.578 1.063 -4.950 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.186 2.581 -2.548 1.00 0.37 C ATOM 0 H ILE A 33 4.546 1.251 -7.639 1.00 0.23 H new ATOM 0 HA ILE A 33 2.355 1.798 -5.855 1.00 0.25 H new ATOM 0 HB ILE A 33 3.620 0.683 -4.163 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.327 3.605 -4.216 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.162 2.764 -3.211 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.090 0.810 -4.021 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.556 0.190 -5.602 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.109 1.874 -5.448 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.113 3.455 -1.901 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.002 1.680 -1.963 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.184 2.534 -2.983 1.00 0.37 H new ATOM 536 N GLY A 34 2.908 4.207 -6.043 1.00 0.26 N ATOM 537 CA GLY A 34 3.304 5.581 -5.908 1.00 0.43 C ATOM 538 C GLY A 34 2.492 6.253 -4.841 1.00 0.30 C ATOM 539 O GLY A 34 1.271 6.262 -4.877 1.00 0.72 O ATOM 0 H GLY A 34 1.916 4.027 -5.889 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.364 5.639 -5.659 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.171 6.100 -6.857 1.00 0.43 H new ATOM 543 N GLY A 35 3.174 6.721 -3.839 1.00 0.77 N ATOM 544 CA GLY A 35 2.560 7.577 -2.862 1.00 0.93 C ATOM 545 C GLY A 35 3.474 8.691 -2.492 1.00 0.73 C ATOM 546 O GLY A 35 4.546 8.427 -1.985 1.00 1.42 O ATOM 0 H GLY A 35 4.161 6.525 -3.674 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.628 7.981 -3.259 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.304 6.999 -1.974 1.00 0.93 H new ATOM 550 N GLY A 36 3.118 9.914 -2.757 1.00 0.40 N ATOM 551 CA GLY A 36 4.020 10.965 -2.375 1.00 0.39 C ATOM 552 C GLY A 36 3.417 12.346 -2.415 1.00 0.35 C ATOM 553 O GLY A 36 2.707 12.692 -3.359 1.00 0.48 O ATOM 0 H GLY A 36 2.253 10.203 -3.214 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.382 10.768 -1.366 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.887 10.941 -3.035 1.00 0.39 H new ATOM 557 N ILE A 37 3.707 13.138 -1.399 1.00 0.37 N ATOM 558 CA ILE A 37 3.777 14.581 -1.582 1.00 0.41 C ATOM 559 C ILE A 37 4.963 14.877 -2.483 1.00 0.38 C ATOM 560 O ILE A 37 5.170 15.993 -2.941 1.00 0.46 O ATOM 561 CB ILE A 37 3.974 15.325 -0.258 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.168 14.732 0.483 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.717 15.253 0.581 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.502 15.448 1.769 1.00 0.49 C ATOM 0 H ILE A 37 3.896 12.815 -0.450 1.00 0.37 H new ATOM 0 HA ILE A 37 2.836 14.920 -2.015 1.00 0.41 H new ATOM 0 HB ILE A 37 4.176 16.377 -0.459 1.00 0.43 H new ATOM 0 HG12 ILE A 37 4.963 13.684 0.704 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.039 14.756 -0.172 1.00 0.47 H new ATOM 0 HG21 ILE A 37 2.874 15.787 1.518 1.00 0.52 H new ATOM 0 HG22 ILE A 37 1.890 15.710 0.037 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.480 14.210 0.792 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.361 14.970 2.239 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.739 16.490 1.554 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.647 15.402 2.444 1.00 0.49 H new ATOM 576 N ASP A 38 5.764 13.840 -2.681 1.00 0.35 N ATOM 577 CA ASP A 38 6.822 13.861 -3.660 1.00 0.40 C ATOM 578 C ASP A 38 6.204 13.789 -5.053 1.00 0.56 C ATOM 579 O ASP A 38 6.642 14.463 -5.982 1.00 0.69 O ATOM 580 CB ASP A 38 7.762 12.678 -3.443 1.00 0.39 C ATOM 581 CG ASP A 38 8.358 12.118 -4.717 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.369 12.681 -5.175 1.00 0.68 O ATOM 583 OD2 ASP A 38 7.805 11.157 -5.279 1.00 0.72 O ATOM 0 H ASP A 38 5.692 12.964 -2.163 1.00 0.35 H new ATOM 0 HA ASP A 38 7.397 14.781 -3.559 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.571 12.988 -2.782 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.218 11.885 -2.930 1.00 0.39 H new ATOM 588 N GLN A 39 5.170 12.941 -5.171 1.00 0.63 N ATOM 589 CA GLN A 39 4.437 12.776 -6.421 1.00 0.85 C ATOM 590 C GLN A 39 3.764 14.091 -6.784 1.00 0.93 C ATOM 591 O GLN A 39 3.969 14.637 -7.872 1.00 1.19 O ATOM 592 CB GLN A 39 3.380 11.671 -6.289 1.00 0.98 C ATOM 593 CG GLN A 39 3.934 10.314 -5.874 1.00 1.00 C ATOM 594 CD GLN A 39 4.821 9.679 -6.923 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.353 8.925 -7.771 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.109 9.966 -6.871 1.00 0.82 N ATOM 0 H GLN A 39 4.827 12.359 -4.407 1.00 0.63 H new ATOM 0 HA GLN A 39 5.137 12.489 -7.206 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.635 11.984 -5.558 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.865 11.563 -7.243 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.502 10.429 -4.951 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.104 9.642 -5.656 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.462 10.597 -6.152 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.751 9.557 -7.550 1.00 0.82 H new ATOM 815 N GLY A 54 -1.333 10.502 -0.026 1.00 0.78 N ATOM 816 CA GLY A 54 -0.444 9.839 0.902 1.00 0.65 C ATOM 817 C GLY A 54 0.513 8.955 0.149 1.00 0.53 C ATOM 818 O GLY A 54 1.106 9.396 -0.849 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.109 10.578 1.481 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.021 9.245 1.611 1.00 0.65 H new ATOM 822 N ILE A 55 0.663 7.711 0.589 1.00 0.48 N ATOM 823 CA ILE A 55 1.361 6.740 -0.212 1.00 0.40 C ATOM 824 C ILE A 55 0.350 5.678 -0.590 1.00 0.33 C ATOM 825 O ILE A 55 -0.524 5.401 0.201 1.00 0.43 O ATOM 826 CB ILE A 55 2.591 6.148 0.525 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.771 7.126 0.462 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.011 4.820 -0.090 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.608 8.418 1.240 1.00 0.54 C ATOM 0 H ILE A 55 0.313 7.365 1.482 1.00 0.48 H new ATOM 0 HA ILE A 55 1.773 7.207 -1.107 1.00 0.40 H new ATOM 0 HB ILE A 55 2.306 5.982 1.564 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.661 6.614 0.829 1.00 0.51 H new ATOM 0 HG13 ILE A 55 3.955 7.375 -0.583 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.875 4.428 0.446 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.187 4.110 -0.019 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.272 4.970 -1.138 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.503 9.029 1.122 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.743 8.964 0.862 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.461 8.191 2.296 1.00 0.54 H new ATOM 841 N TYR A 56 0.385 5.147 -1.809 1.00 0.25 N ATOM 842 CA TYR A 56 -0.596 4.155 -2.185 1.00 0.23 C ATOM 843 C TYR A 56 -0.060 3.252 -3.262 1.00 0.18 C ATOM 844 O TYR A 56 0.753 3.654 -4.099 1.00 0.28 O ATOM 845 CB TYR A 56 -1.938 4.783 -2.596 1.00 0.36 C ATOM 846 CG TYR A 56 -1.841 5.921 -3.576 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.093 7.041 -3.277 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.506 5.874 -4.787 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.999 8.097 -4.153 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.429 6.929 -5.680 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.669 8.038 -5.361 1.00 1.01 C ATOM 852 OH TYR A 56 -1.590 9.093 -6.244 1.00 1.42 O ATOM 0 H TYR A 56 1.066 5.384 -2.531 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.795 3.550 -1.300 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.567 4.005 -3.029 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.444 5.140 -1.699 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.569 7.090 -2.334 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.093 5.003 -5.040 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.407 8.964 -3.900 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.959 6.886 -6.620 1.00 1.14 H new ATOM 0 HH TYR A 56 -2.118 8.890 -7.044 1.00 1.42 H new ATOM 862 N VAL A 57 -0.492 2.018 -3.207 1.00 0.18 N ATOM 863 CA VAL A 57 -0.001 1.009 -4.099 1.00 0.17 C ATOM 864 C VAL A 57 -0.728 1.102 -5.426 1.00 0.16 C ATOM 865 O VAL A 57 -1.929 1.386 -5.468 1.00 0.22 O ATOM 866 CB VAL A 57 -0.138 -0.391 -3.464 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.509 -1.006 -3.671 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.943 -1.321 -3.958 1.00 0.58 C ATOM 0 H VAL A 57 -1.193 1.689 -2.543 1.00 0.18 H new ATOM 0 HA VAL A 57 1.060 1.174 -4.284 1.00 0.17 H new ATOM 0 HB VAL A 57 -0.017 -0.250 -2.390 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.541 -1.989 -3.201 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.267 -0.364 -3.222 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.705 -1.107 -4.738 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.821 -2.300 -3.494 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.870 -1.421 -5.041 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.920 -0.915 -3.697 1.00 0.58 H new ATOM 878 N THR A 58 0.022 0.903 -6.496 1.00 0.17 N ATOM 879 CA THR A 58 -0.480 1.083 -7.842 1.00 0.24 C ATOM 880 C THR A 58 -0.609 -0.260 -8.558 1.00 0.38 C ATOM 881 O THR A 58 -1.233 -0.364 -9.606 1.00 1.11 O ATOM 882 CB THR A 58 0.455 2.014 -8.634 1.00 0.39 C ATOM 883 OG1 THR A 58 0.716 3.192 -7.863 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.158 2.410 -9.966 1.00 0.69 C ATOM 0 H THR A 58 0.998 0.611 -6.453 1.00 0.17 H new ATOM 0 HA THR A 58 -1.469 1.536 -7.781 1.00 0.24 H new ATOM 0 HB THR A 58 1.383 1.478 -8.831 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.313 3.786 -8.365 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.527 3.068 -10.501 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.342 1.516 -10.562 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.100 2.931 -9.793 1.00 0.69 H new ATOM 892 N ARG A 59 0.007 -1.288 -7.998 1.00 0.31 N ATOM 893 CA ARG A 59 -0.138 -2.641 -8.528 1.00 0.26 C ATOM 894 C ARG A 59 -0.024 -3.701 -7.447 1.00 0.26 C ATOM 895 O ARG A 59 -0.178 -3.429 -6.251 1.00 0.27 O ATOM 896 CB ARG A 59 0.912 -2.944 -9.600 1.00 0.26 C ATOM 897 CG ARG A 59 0.654 -2.263 -10.920 1.00 0.34 C ATOM 898 CD ARG A 59 1.673 -2.678 -11.965 1.00 0.45 C ATOM 899 NE ARG A 59 1.558 -1.892 -13.187 1.00 1.06 N ATOM 900 CZ ARG A 59 2.598 -1.398 -13.857 1.00 1.50 C ATOM 901 NH1 ARG A 59 3.836 -1.618 -13.430 1.00 1.52 N ATOM 902 NH2 ARG A 59 2.400 -0.686 -14.952 1.00 2.27 N ATOM 0 H ARG A 59 0.611 -1.216 -7.179 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.137 -2.676 -8.963 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.891 -2.640 -9.231 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.952 -4.021 -9.760 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.349 -2.510 -11.269 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.687 -1.182 -10.786 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.677 -2.566 -11.556 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.541 -3.734 -12.200 1.00 0.45 H new ATOM 0 HE ARG A 59 0.623 -1.709 -13.552 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.994 -2.168 -12.585 1.00 1.52 H new ATOM 0 HH12 ARG A 59 4.629 -1.238 -13.947 1.00 1.52 H new ATOM 0 HH21 ARG A 59 1.451 -0.515 -15.284 1.00 2.27 H new ATOM 0 HH22 ARG A 59 3.196 -0.308 -15.465 1.00 2.27 H new ATOM 916 N VAL A 60 0.130 -4.922 -7.946 1.00 0.26 N ATOM 917 CA VAL A 60 0.613 -6.090 -7.214 1.00 0.27 C ATOM 918 C VAL A 60 1.092 -7.084 -8.257 1.00 0.36 C ATOM 919 O VAL A 60 0.467 -7.207 -9.311 1.00 0.51 O ATOM 920 CB VAL A 60 -0.435 -6.813 -6.329 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.203 -8.039 -5.693 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.982 -5.915 -5.242 1.00 0.75 C ATOM 0 H VAL A 60 -0.089 -5.136 -8.919 1.00 0.26 H new ATOM 0 HA VAL A 60 1.381 -5.733 -6.528 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.267 -7.101 -6.971 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.531 -8.550 -5.070 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.549 -8.716 -6.474 1.00 0.83 H new ATOM 0 HG13 VAL A 60 1.049 -7.731 -5.078 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.712 -6.465 -4.648 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.167 -5.584 -4.599 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.462 -5.047 -5.694 1.00 0.75 H new ATOM 932 N SER A 61 2.196 -7.760 -8.007 1.00 0.45 N ATOM 933 CA SER A 61 2.646 -8.784 -8.919 1.00 0.56 C ATOM 934 C SER A 61 1.927 -10.072 -8.651 1.00 0.56 C ATOM 935 O SER A 61 1.975 -10.620 -7.545 1.00 0.64 O ATOM 936 CB SER A 61 4.137 -9.018 -8.827 1.00 0.72 C ATOM 937 OG SER A 61 4.524 -9.315 -7.498 1.00 1.65 O ATOM 0 H SER A 61 2.789 -7.619 -7.189 1.00 0.45 H new ATOM 0 HA SER A 61 2.421 -8.432 -9.926 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.421 -9.840 -9.484 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.670 -8.133 -9.175 1.00 0.72 H new ATOM 0 HG SER A 61 3.808 -9.814 -7.052 1.00 1.65 H new ATOM 943 N GLU A 62 1.263 -10.526 -9.668 1.00 0.68 N ATOM 944 CA GLU A 62 0.599 -11.793 -9.657 1.00 0.73 C ATOM 945 C GLU A 62 1.582 -12.921 -9.425 1.00 0.74 C ATOM 946 O GLU A 62 2.320 -13.324 -10.325 1.00 0.84 O ATOM 947 CB GLU A 62 -0.086 -11.932 -10.986 1.00 0.86 C ATOM 948 CG GLU A 62 -1.378 -11.137 -11.047 1.00 1.45 C ATOM 949 CD GLU A 62 -1.914 -10.967 -12.452 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.390 -10.110 -13.195 1.00 1.85 O ATOM 951 OE2 GLU A 62 -2.869 -11.682 -12.817 1.00 1.75 O ATOM 0 H GLU A 62 1.165 -10.017 -10.546 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.124 -11.846 -8.843 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.585 -11.595 -11.776 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.299 -12.984 -11.176 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.131 -11.635 -10.437 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.212 -10.153 -10.608 1.00 1.45 H new ATOM 958 N GLY A 63 1.614 -13.396 -8.200 1.00 0.76 N ATOM 959 CA GLY A 63 2.494 -14.483 -7.861 1.00 0.86 C ATOM 960 C GLY A 63 3.578 -14.064 -6.889 1.00 0.80 C ATOM 961 O GLY A 63 4.351 -14.896 -6.416 1.00 0.92 O ATOM 0 H GLY A 63 1.044 -13.047 -7.429 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.913 -15.296 -7.425 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.954 -14.872 -8.769 1.00 0.86 H new ATOM 965 N GLY A 64 3.646 -12.767 -6.605 1.00 0.67 N ATOM 966 CA GLY A 64 4.601 -12.267 -5.644 1.00 0.66 C ATOM 967 C GLY A 64 4.019 -12.208 -4.263 1.00 0.63 C ATOM 968 O GLY A 64 2.859 -12.546 -4.058 1.00 0.99 O ATOM 0 H GLY A 64 3.052 -12.054 -7.028 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.483 -12.908 -5.640 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.931 -11.272 -5.943 1.00 0.66 H new ATOM 972 N PRO A 65 4.793 -11.704 -3.311 1.00 0.37 N ATOM 973 CA PRO A 65 4.475 -11.809 -1.893 1.00 0.27 C ATOM 974 C PRO A 65 3.322 -10.928 -1.478 1.00 0.23 C ATOM 975 O PRO A 65 2.592 -11.220 -0.531 1.00 0.29 O ATOM 976 CB PRO A 65 5.781 -11.390 -1.233 1.00 0.32 C ATOM 977 CG PRO A 65 6.441 -10.475 -2.198 1.00 0.43 C ATOM 978 CD PRO A 65 6.040 -10.960 -3.557 1.00 0.44 C ATOM 0 HA PRO A 65 4.140 -12.807 -1.609 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.597 -10.890 -0.282 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.409 -12.256 -1.022 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.123 -9.444 -2.041 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.524 -10.496 -2.079 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.882 -10.131 -4.247 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.807 -11.598 -3.996 1.00 0.44 H new ATOM 986 N ALA A 66 3.136 -9.879 -2.222 1.00 0.22 N ATOM 987 CA ALA A 66 2.068 -8.949 -1.959 1.00 0.24 C ATOM 988 C ALA A 66 0.707 -9.593 -2.225 1.00 0.29 C ATOM 989 O ALA A 66 -0.296 -9.212 -1.633 1.00 0.36 O ATOM 990 CB ALA A 66 2.272 -7.737 -2.822 1.00 0.27 C ATOM 0 H ALA A 66 3.716 -9.640 -3.027 1.00 0.22 H new ATOM 0 HA ALA A 66 2.082 -8.656 -0.909 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.472 -7.020 -2.637 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.232 -7.279 -2.585 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.260 -8.031 -3.871 1.00 0.27 H new ATOM 996 N GLU A 67 0.695 -10.590 -3.102 1.00 0.30 N ATOM 997 CA GLU A 67 -0.525 -11.324 -3.428 1.00 0.42 C ATOM 998 C GLU A 67 -0.866 -12.259 -2.272 1.00 0.39 C ATOM 999 O GLU A 67 -2.027 -12.517 -1.966 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.300 -12.121 -4.721 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.455 -13.028 -5.125 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.625 -12.282 -5.734 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -2.644 -12.092 -6.966 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.523 -11.859 -4.974 1.00 1.79 O ATOM 0 H GLU A 67 1.523 -10.912 -3.604 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.355 -10.635 -3.580 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.106 -11.420 -5.533 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.597 -12.729 -4.604 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.093 -13.767 -5.840 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.800 -13.576 -4.248 1.00 0.77 H new ATOM 1011 N ILE A 68 0.186 -12.737 -1.624 1.00 0.31 N ATOM 1012 CA ILE A 68 0.070 -13.664 -0.502 1.00 0.31 C ATOM 1013 C ILE A 68 -0.474 -12.948 0.730 1.00 0.28 C ATOM 1014 O ILE A 68 -1.363 -13.454 1.419 1.00 0.34 O ATOM 1015 CB ILE A 68 1.444 -14.319 -0.178 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.801 -15.397 -1.217 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.444 -14.919 1.223 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.739 -14.924 -2.651 1.00 0.51 C ATOM 0 H ILE A 68 1.148 -12.494 -1.860 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.628 -14.451 -0.787 1.00 0.31 H new ATOM 0 HB ILE A 68 2.201 -13.536 -0.220 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.806 -15.764 -1.011 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.122 -16.241 -1.095 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.415 -15.371 1.425 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.249 -14.135 1.955 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.668 -15.681 1.292 1.00 0.32 H new ATOM 0 HD11 ILE A 68 2.005 -15.745 -3.317 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.729 -14.585 -2.879 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.439 -14.101 -2.793 1.00 0.51 H new ATOM 1030 N ALA A 69 0.055 -11.761 0.996 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.408 -10.962 2.121 1.00 0.24 C ATOM 1032 C ALA A 69 -1.754 -10.327 1.807 1.00 0.31 C ATOM 1033 O ALA A 69 -2.519 -9.996 2.713 1.00 0.41 O ATOM 1034 CB ALA A 69 0.613 -9.895 2.479 1.00 0.24 C ATOM 0 H ALA A 69 0.802 -11.332 0.450 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.529 -11.621 2.980 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.247 -9.309 3.322 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.556 -10.370 2.749 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.769 -9.239 1.623 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.049 -10.178 0.522 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.331 -9.625 0.132 1.00 0.41 C ATOM 1042 C GLY A 70 -3.288 -8.131 -0.121 1.00 0.36 C ATOM 1043 O GLY A 70 -3.823 -7.350 0.661 1.00 0.45 O ATOM 0 H GLY A 70 -1.431 -10.427 -0.250 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.677 -10.129 -0.770 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -4.062 -9.833 0.914 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.637 -7.740 -1.202 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.613 -6.346 -1.628 1.00 0.30 C ATOM 1049 C LEU A 71 -3.393 -6.205 -2.940 1.00 0.24 C ATOM 1050 O LEU A 71 -3.517 -7.181 -3.685 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.165 -5.890 -1.784 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.956 -4.380 -1.862 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.568 -3.688 -0.654 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.525 -4.073 -1.955 1.00 0.87 C ATOM 0 H LEU A 71 -2.113 -8.372 -1.807 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.088 -5.711 -0.880 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.588 -6.276 -0.943 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.755 -6.343 -2.687 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.455 -4.002 -2.755 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.407 -2.613 -0.731 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.638 -3.893 -0.620 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.098 -4.061 0.256 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.670 -2.994 -2.011 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.033 -4.463 -1.073 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.938 -4.541 -2.848 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.920 -5.011 -3.237 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.922 -4.887 -4.296 1.00 0.33 C ATOM 1068 C GLN A 72 -4.678 -3.755 -5.293 1.00 0.25 C ATOM 1069 O GLN A 72 -5.638 -3.171 -5.790 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.287 -4.702 -3.662 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.664 -5.875 -2.787 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.278 -5.472 -1.459 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -8.121 -6.185 -0.911 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -6.850 -4.342 -0.917 1.00 0.64 N ATOM 0 H GLN A 72 -3.675 -4.138 -2.770 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.856 -5.808 -4.875 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.290 -3.789 -3.067 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.036 -4.576 -4.443 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.369 -6.508 -3.326 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.775 -6.477 -2.599 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -6.151 -3.777 -1.400 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -7.219 -4.036 -0.017 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.422 -3.464 -5.632 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.138 -2.620 -6.788 1.00 0.26 C ATOM 1085 C ILE A 73 -3.558 -1.136 -6.599 1.00 0.23 C ATOM 1086 O ILE A 73 -3.195 -0.282 -7.402 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.829 -3.231 -8.051 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.214 -4.584 -8.438 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.763 -2.304 -9.235 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.799 -5.770 -7.702 1.00 0.77 C ATOM 0 H ILE A 73 -2.598 -3.795 -5.130 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.056 -2.603 -6.915 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.874 -3.379 -7.779 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -3.345 -4.736 -9.509 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -2.141 -4.549 -8.250 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.255 -2.769 -10.089 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.265 -1.368 -8.992 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.721 -2.103 -9.482 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.308 -6.684 -8.036 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -3.644 -5.646 -6.630 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.867 -5.836 -7.909 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.244 -0.808 -5.511 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.834 0.523 -5.396 1.00 0.25 C ATOM 1104 C GLY A 74 -5.151 0.882 -3.965 1.00 0.29 C ATOM 1105 O GLY A 74 -6.261 1.307 -3.644 1.00 0.37 O ATOM 0 H GLY A 74 -4.404 -1.425 -4.715 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.147 1.261 -5.811 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.746 0.567 -5.991 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.156 0.750 -3.119 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.367 0.809 -1.676 1.00 0.34 C ATOM 1111 C ASP A 75 -3.582 1.942 -1.049 1.00 0.30 C ATOM 1112 O ASP A 75 -2.390 2.083 -1.294 1.00 0.35 O ATOM 1113 CB ASP A 75 -3.981 -0.517 -1.024 1.00 0.44 C ATOM 1114 CG ASP A 75 -4.857 -1.661 -1.483 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.053 -1.675 -1.128 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.345 -2.549 -2.197 1.00 0.89 O ATOM 0 H ASP A 75 -3.186 0.600 -3.398 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.427 0.995 -1.505 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -2.940 -0.744 -1.256 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.052 -0.420 0.059 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.248 2.721 -0.212 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.652 3.909 0.379 1.00 0.28 C ATOM 1123 C LYS A 76 -2.806 3.535 1.587 1.00 0.28 C ATOM 1124 O LYS A 76 -3.313 3.332 2.679 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.755 4.878 0.805 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.876 5.022 -0.218 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.422 5.773 -1.459 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.191 7.245 -1.155 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.432 7.919 -0.688 1.00 2.20 N ATOM 0 H LYS A 76 -5.211 2.550 0.076 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.012 4.386 -0.363 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.179 4.538 1.750 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.314 5.858 0.988 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.235 4.033 -0.504 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.716 5.547 0.236 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.503 5.329 -1.841 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -6.173 5.674 -2.243 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -4.418 7.341 -0.393 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -4.821 7.746 -2.049 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.337 8.947 -0.814 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -7.243 7.575 -1.241 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -6.585 7.707 0.319 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.522 3.484 1.379 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.571 3.078 2.390 1.00 0.27 C ATOM 1145 C ILE A 77 -0.383 4.152 3.446 1.00 0.25 C ATOM 1146 O ILE A 77 -0.044 5.324 3.128 1.00 0.29 O ATOM 1147 CB ILE A 77 0.769 2.780 1.736 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.612 1.631 0.745 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.858 2.490 2.773 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.315 1.888 -0.561 1.00 0.49 C ATOM 0 H ILE A 77 -1.092 3.727 0.487 1.00 0.28 H new ATOM 0 HA ILE A 77 -0.962 2.186 2.878 1.00 0.27 H new ATOM 0 HB ILE A 77 1.094 3.667 1.192 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.005 0.717 1.190 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.448 1.463 0.555 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.799 2.282 2.264 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.981 3.356 3.424 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.570 1.625 3.371 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.169 1.037 -1.226 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.905 2.786 -1.024 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.381 2.028 -0.379 1.00 0.49 H new ATOM 1162 N MET A 78 -0.634 3.724 4.690 1.00 0.22 N ATOM 1163 CA MET A 78 -0.482 4.549 5.872 1.00 0.24 C ATOM 1164 C MET A 78 0.873 4.380 6.548 1.00 0.24 C ATOM 1165 O MET A 78 1.216 5.145 7.448 1.00 0.30 O ATOM 1166 CB MET A 78 -1.563 4.210 6.899 1.00 0.33 C ATOM 1167 CG MET A 78 -2.990 4.286 6.392 1.00 0.32 C ATOM 1168 SD MET A 78 -3.521 5.974 6.055 1.00 0.75 S ATOM 1169 CE MET A 78 -2.689 6.267 4.503 1.00 1.06 C ATOM 0 H MET A 78 -0.953 2.777 4.895 1.00 0.22 H new ATOM 0 HA MET A 78 -0.571 5.580 5.529 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.382 3.202 7.273 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.460 4.888 7.747 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.080 3.693 5.482 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.657 3.840 7.130 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.271 6.968 3.905 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.701 6.685 4.693 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.587 5.326 3.962 1.00 1.06 H new ATOM 1179 N GLN A 79 1.625 3.367 6.149 1.00 0.23 N ATOM 1180 CA GLN A 79 2.894 3.061 6.808 1.00 0.23 C ATOM 1181 C GLN A 79 3.655 1.967 6.073 1.00 0.24 C ATOM 1182 O GLN A 79 3.062 1.162 5.362 1.00 0.24 O ATOM 1183 CB GLN A 79 2.647 2.656 8.268 1.00 0.26 C ATOM 1184 CG GLN A 79 3.609 1.622 8.816 1.00 0.54 C ATOM 1185 CD GLN A 79 3.316 1.298 10.253 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.598 0.351 10.561 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.846 2.116 11.138 1.00 0.43 N ATOM 0 H GLN A 79 1.385 2.744 5.378 1.00 0.23 H new ATOM 0 HA GLN A 79 3.509 3.961 6.788 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.702 3.548 8.891 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.632 2.269 8.355 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.546 0.713 8.218 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.630 1.992 8.727 1.00 0.54 H new ATOM 0 HE21 GLN A 79 4.436 2.888 10.829 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.666 1.977 12.132 1.00 0.43 H new ATOM 1196 N VAL A 80 4.967 1.947 6.256 1.00 0.28 N ATOM 1197 CA VAL A 80 5.794 0.894 5.707 1.00 0.35 C ATOM 1198 C VAL A 80 6.952 0.580 6.653 1.00 0.31 C ATOM 1199 O VAL A 80 7.717 1.460 7.044 1.00 0.31 O ATOM 1200 CB VAL A 80 6.335 1.234 4.301 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.237 2.458 4.330 1.00 0.85 C ATOM 1202 CG2 VAL A 80 7.071 0.040 3.720 1.00 1.31 C ATOM 0 H VAL A 80 5.479 2.654 6.784 1.00 0.28 H new ATOM 0 HA VAL A 80 5.158 0.015 5.603 1.00 0.35 H new ATOM 0 HB VAL A 80 5.484 1.470 3.662 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.599 2.667 3.323 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.675 3.316 4.699 1.00 0.85 H new ATOM 0 HG13 VAL A 80 8.085 2.270 4.989 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.448 0.292 2.729 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.906 -0.224 4.369 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.389 -0.807 3.644 1.00 1.31 H new ATOM 1212 N ASN A 81 7.027 -0.680 7.055 1.00 0.34 N ATOM 1213 CA ASN A 81 8.093 -1.177 7.930 1.00 0.38 C ATOM 1214 C ASN A 81 8.119 -0.456 9.271 1.00 0.34 C ATOM 1215 O ASN A 81 9.135 -0.466 9.960 1.00 0.40 O ATOM 1216 CB ASN A 81 9.465 -1.048 7.265 1.00 0.46 C ATOM 1217 CG ASN A 81 9.723 -2.096 6.196 1.00 0.70 C ATOM 1218 OD1 ASN A 81 10.837 -2.596 6.071 1.00 1.50 O ATOM 1219 ND2 ASN A 81 8.712 -2.420 5.406 1.00 1.18 N ATOM 0 H ASN A 81 6.350 -1.394 6.786 1.00 0.34 H new ATOM 0 HA ASN A 81 7.874 -2.230 8.107 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.552 -0.057 6.819 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.239 -1.122 8.029 1.00 0.46 H new ATOM 0 HD21 ASN A 81 8.845 -3.106 4.663 1.00 1.18 H new ATOM 0 HD22 ASN A 81 7.800 -1.983 5.540 1.00 1.18 H new ATOM 1226 N GLY A 82 7.004 0.153 9.651 1.00 0.32 N ATOM 1227 CA GLY A 82 6.964 0.874 10.906 1.00 0.34 C ATOM 1228 C GLY A 82 7.051 2.373 10.714 1.00 0.31 C ATOM 1229 O GLY A 82 6.831 3.134 11.653 1.00 0.38 O ATOM 0 H GLY A 82 6.134 0.161 9.118 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.041 0.631 11.432 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.788 0.543 11.538 1.00 0.34 H new ATOM 1233 N TRP A 83 7.359 2.812 9.501 1.00 0.28 N ATOM 1234 CA TRP A 83 7.379 4.237 9.220 1.00 0.28 C ATOM 1235 C TRP A 83 6.005 4.678 8.832 1.00 0.29 C ATOM 1236 O TRP A 83 5.362 4.073 7.981 1.00 0.48 O ATOM 1237 CB TRP A 83 8.339 4.616 8.109 1.00 0.30 C ATOM 1238 CG TRP A 83 9.750 4.349 8.435 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.382 3.178 8.254 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.702 5.258 8.996 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.689 3.287 8.639 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.909 4.554 9.115 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.651 6.593 9.411 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 13.066 5.141 9.619 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.798 7.174 9.914 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.990 6.444 10.017 1.00 0.76 C ATOM 0 H TRP A 83 7.594 2.213 8.710 1.00 0.28 H new ATOM 0 HA TRP A 83 7.720 4.733 10.129 1.00 0.28 H new ATOM 0 HB2 TRP A 83 8.073 4.066 7.206 1.00 0.30 H new ATOM 0 HB3 TRP A 83 8.221 5.676 7.883 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.925 2.282 7.862 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.388 2.546 8.582 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.733 7.158 9.339 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.990 4.586 9.692 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.776 8.206 10.233 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.869 6.924 10.421 1.00 0.76 H new ATOM 1257 N ASP A 84 5.581 5.732 9.448 1.00 0.39 N ATOM 1258 CA ASP A 84 4.236 6.218 9.281 1.00 0.41 C ATOM 1259 C ASP A 84 4.141 7.114 8.054 1.00 0.40 C ATOM 1260 O ASP A 84 4.780 8.159 7.965 1.00 0.59 O ATOM 1261 CB ASP A 84 3.791 6.920 10.566 1.00 0.62 C ATOM 1262 CG ASP A 84 4.567 8.188 10.869 1.00 1.16 C ATOM 1263 OD1 ASP A 84 5.747 8.096 11.262 1.00 1.89 O ATOM 1264 OD2 ASP A 84 4.000 9.291 10.683 1.00 1.28 O ATOM 0 H ASP A 84 6.153 6.287 10.085 1.00 0.39 H new ATOM 0 HA ASP A 84 3.555 5.386 9.106 1.00 0.41 H new ATOM 0 HB2 ASP A 84 2.731 7.163 10.488 1.00 0.62 H new ATOM 0 HB3 ASP A 84 3.899 6.230 11.403 1.00 0.62 H new ATOM 1269 N MET A 85 3.363 6.657 7.083 1.00 0.36 N ATOM 1270 CA MET A 85 3.251 7.341 5.815 1.00 0.46 C ATOM 1271 C MET A 85 1.918 8.045 5.691 1.00 0.36 C ATOM 1272 O MET A 85 0.888 7.435 5.412 1.00 0.56 O ATOM 1273 CB MET A 85 3.423 6.354 4.658 1.00 0.76 C ATOM 1274 CG MET A 85 4.769 5.659 4.664 1.00 0.49 C ATOM 1275 SD MET A 85 6.131 6.835 4.631 1.00 1.01 S ATOM 1276 CE MET A 85 7.495 5.777 5.073 1.00 0.44 C ATOM 0 H MET A 85 2.799 5.810 7.156 1.00 0.36 H new ATOM 0 HA MET A 85 4.043 8.089 5.770 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.634 5.604 4.708 1.00 0.76 H new ATOM 0 HB3 MET A 85 3.299 6.885 3.714 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.851 5.034 5.553 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.840 4.997 3.801 1.00 0.49 H new ATOM 0 HE1 MET A 85 8.217 6.342 5.663 1.00 0.44 H new ATOM 0 HE2 MET A 85 7.127 4.935 5.659 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.976 5.406 4.168 1.00 0.44 H new ATOM 1286 N THR A 86 1.959 9.336 5.915 1.00 0.31 N ATOM 1287 CA THR A 86 0.854 10.216 5.636 1.00 0.35 C ATOM 1288 C THR A 86 1.375 11.455 4.949 1.00 0.46 C ATOM 1289 O THR A 86 2.085 12.253 5.557 1.00 1.05 O ATOM 1290 CB THR A 86 0.092 10.617 6.910 1.00 0.36 C ATOM 1291 OG1 THR A 86 1.003 10.758 8.009 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.977 9.599 7.248 1.00 0.37 C ATOM 0 H THR A 86 2.775 9.811 6.302 1.00 0.31 H new ATOM 0 HA THR A 86 0.154 9.682 4.993 1.00 0.35 H new ATOM 0 HB THR A 86 -0.395 11.574 6.726 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.507 11.015 8.814 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.500 9.908 8.153 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.687 9.530 6.424 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.514 8.626 7.410 1.00 0.37 H new ATOM 1300 N MET A 87 1.021 11.594 3.675 1.00 0.56 N ATOM 1301 CA MET A 87 1.504 12.690 2.836 1.00 0.65 C ATOM 1302 C MET A 87 3.005 12.906 3.012 1.00 0.76 C ATOM 1303 O MET A 87 3.443 13.924 3.551 1.00 1.49 O ATOM 1304 CB MET A 87 0.748 14.010 3.093 1.00 0.84 C ATOM 1305 CG MET A 87 -0.238 13.964 4.252 1.00 0.97 C ATOM 1306 SD MET A 87 -0.906 15.583 4.681 1.00 1.36 S ATOM 1307 CE MET A 87 -1.906 15.163 6.111 1.00 1.62 C ATOM 0 H MET A 87 0.392 10.951 3.194 1.00 0.56 H new ATOM 0 HA MET A 87 1.308 12.392 1.806 1.00 0.65 H new ATOM 0 HB2 MET A 87 1.476 14.798 3.284 1.00 0.84 H new ATOM 0 HB3 MET A 87 0.209 14.287 2.187 1.00 0.84 H new ATOM 0 HG2 MET A 87 -1.060 13.296 3.995 1.00 0.97 H new ATOM 0 HG3 MET A 87 0.257 13.539 5.125 1.00 0.97 H new ATOM 0 HE1 MET A 87 -2.388 16.062 6.495 1.00 1.62 H new ATOM 0 HE2 MET A 87 -2.667 14.438 5.822 1.00 1.62 H new ATOM 0 HE3 MET A 87 -1.271 14.733 6.885 1.00 1.62 H new ATOM 1317 N VAL A 88 3.783 11.920 2.599 1.00 0.40 N ATOM 1318 CA VAL A 88 5.213 12.049 2.547 1.00 0.45 C ATOM 1319 C VAL A 88 5.680 11.606 1.164 1.00 0.36 C ATOM 1320 O VAL A 88 4.886 11.060 0.405 1.00 0.39 O ATOM 1321 CB VAL A 88 5.886 11.243 3.670 1.00 0.60 C ATOM 1322 CG1 VAL A 88 5.958 9.765 3.342 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.250 11.809 3.964 1.00 1.09 C ATOM 0 H VAL A 88 3.433 11.012 2.293 1.00 0.40 H new ATOM 0 HA VAL A 88 5.502 13.088 2.708 1.00 0.45 H new ATOM 0 HB VAL A 88 5.271 11.332 4.566 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.441 9.233 4.162 1.00 0.72 H new ATOM 0 HG12 VAL A 88 4.950 9.374 3.199 1.00 0.72 H new ATOM 0 HG13 VAL A 88 6.535 9.623 2.428 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.719 11.232 4.761 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.867 11.757 3.067 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.153 12.848 4.278 1.00 1.09 H new ATOM 1333 N THR A 89 6.920 11.900 0.810 1.00 0.31 N ATOM 1334 CA THR A 89 7.433 11.609 -0.512 1.00 0.28 C ATOM 1335 C THR A 89 7.354 10.114 -0.872 1.00 0.26 C ATOM 1336 O THR A 89 7.413 9.245 -0.002 1.00 0.26 O ATOM 1337 CB THR A 89 8.881 12.140 -0.640 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.751 11.462 0.266 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.912 13.637 -0.341 1.00 0.35 C ATOM 0 H THR A 89 7.595 12.346 1.431 1.00 0.31 H new ATOM 0 HA THR A 89 6.795 12.123 -1.231 1.00 0.28 H new ATOM 0 HB THR A 89 9.222 11.959 -1.659 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.662 11.811 0.168 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.934 14.005 -0.433 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.272 14.163 -1.049 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.552 13.813 0.673 1.00 0.35 H new ATOM 1347 N HIS A 90 7.192 9.833 -2.165 1.00 0.26 N ATOM 1348 CA HIS A 90 7.140 8.455 -2.667 1.00 0.25 C ATOM 1349 C HIS A 90 8.434 7.765 -2.368 1.00 0.27 C ATOM 1350 O HIS A 90 8.471 6.579 -2.057 1.00 0.30 O ATOM 1351 CB HIS A 90 6.890 8.450 -4.172 1.00 0.25 C ATOM 1352 CG HIS A 90 6.843 7.094 -4.823 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.123 6.915 -6.155 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.507 5.862 -4.352 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.962 5.652 -6.477 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.590 4.988 -5.402 1.00 0.32 N ATOM 0 H HIS A 90 7.094 10.544 -2.889 1.00 0.26 H new ATOM 0 HA HIS A 90 6.323 7.928 -2.174 1.00 0.25 H new ATOM 0 HB2 HIS A 90 5.946 8.958 -4.366 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.673 9.036 -4.653 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.227 5.619 -3.338 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.110 5.228 -7.459 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.396 3.988 -5.359 1.00 0.32 H new ATOM 1365 N ASP A 91 9.485 8.543 -2.454 1.00 0.31 N ATOM 1366 CA ASP A 91 10.825 8.061 -2.158 1.00 0.34 C ATOM 1367 C ASP A 91 10.932 7.743 -0.693 1.00 0.32 C ATOM 1368 O ASP A 91 11.662 6.838 -0.306 1.00 0.33 O ATOM 1369 CB ASP A 91 11.905 9.075 -2.532 1.00 0.41 C ATOM 1370 CG ASP A 91 12.342 8.963 -3.977 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.481 9.050 -4.877 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.548 8.737 -4.217 1.00 1.67 O ATOM 0 H ASP A 91 9.444 9.524 -2.729 1.00 0.31 H new ATOM 0 HA ASP A 91 10.989 7.167 -2.759 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.530 10.082 -2.348 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.770 8.933 -1.884 1.00 0.41 H new ATOM 1377 N GLN A 92 10.191 8.482 0.127 1.00 0.31 N ATOM 1378 CA GLN A 92 10.220 8.261 1.545 1.00 0.32 C ATOM 1379 C GLN A 92 9.714 6.862 1.836 1.00 0.29 C ATOM 1380 O GLN A 92 10.387 6.066 2.482 1.00 0.31 O ATOM 1381 CB GLN A 92 9.338 9.281 2.237 1.00 0.36 C ATOM 1382 CG GLN A 92 9.164 9.029 3.705 1.00 0.42 C ATOM 1383 CD GLN A 92 10.379 9.402 4.516 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.291 8.599 4.710 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.383 10.625 5.009 1.00 0.62 N ATOM 0 H GLN A 92 9.570 9.232 -0.176 1.00 0.31 H new ATOM 0 HA GLN A 92 11.240 8.366 1.915 1.00 0.32 H new ATOM 0 HB2 GLN A 92 9.766 10.274 2.096 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.358 9.285 1.759 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.306 9.596 4.066 1.00 0.42 H new ATOM 0 HG3 GLN A 92 8.939 7.974 3.863 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.603 11.254 4.820 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.167 10.942 5.580 1.00 0.62 H new ATOM 1394 N ALA A 93 8.548 6.552 1.289 1.00 0.27 N ATOM 1395 CA ALA A 93 7.916 5.269 1.534 1.00 0.28 C ATOM 1396 C ALA A 93 8.655 4.174 0.798 1.00 0.28 C ATOM 1397 O ALA A 93 8.812 3.070 1.303 1.00 0.33 O ATOM 1398 CB ALA A 93 6.458 5.303 1.109 1.00 0.33 C ATOM 0 H ALA A 93 8.022 7.172 0.673 1.00 0.27 H new ATOM 0 HA ALA A 93 7.957 5.060 2.603 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.001 4.332 1.300 1.00 0.33 H new ATOM 0 HB2 ALA A 93 5.931 6.070 1.676 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.394 5.531 0.045 1.00 0.33 H new ATOM 1404 N ARG A 94 9.132 4.503 -0.389 1.00 0.27 N ATOM 1405 CA ARG A 94 9.816 3.533 -1.230 1.00 0.30 C ATOM 1406 C ARG A 94 11.140 3.112 -0.600 1.00 0.33 C ATOM 1407 O ARG A 94 11.514 1.942 -0.654 1.00 0.37 O ATOM 1408 CB ARG A 94 10.078 4.108 -2.616 1.00 0.34 C ATOM 1409 CG ARG A 94 10.335 3.046 -3.670 1.00 0.43 C ATOM 1410 CD ARG A 94 10.958 3.634 -4.928 1.00 0.57 C ATOM 1411 NE ARG A 94 12.286 4.187 -4.668 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.578 5.481 -4.730 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.678 6.337 -5.191 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.783 5.912 -4.383 1.00 2.10 N ATOM 0 H ARG A 94 9.059 5.436 -0.794 1.00 0.27 H new ATOM 0 HA ARG A 94 9.169 2.661 -1.322 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.222 4.711 -2.919 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.937 4.777 -2.567 1.00 0.34 H new ATOM 0 HG2 ARG A 94 10.995 2.281 -3.261 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.397 2.554 -3.926 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.029 2.861 -5.694 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.310 4.416 -5.324 1.00 0.57 H new ATOM 0 HE ARG A 94 13.035 3.539 -4.424 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.765 6.001 -5.497 1.00 1.57 H new ATOM 0 HH12 ARG A 94 11.898 7.332 -5.240 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.490 5.249 -4.067 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.003 6.907 -4.432 1.00 2.10 H new ATOM 1428 N LYS A 95 11.842 4.066 0.007 1.00 0.33 N ATOM 1429 CA LYS A 95 13.119 3.793 0.615 1.00 0.40 C ATOM 1430 C LYS A 95 12.911 2.957 1.866 1.00 0.42 C ATOM 1431 O LYS A 95 13.596 1.960 2.085 1.00 0.46 O ATOM 1432 CB LYS A 95 13.804 5.127 0.937 1.00 0.46 C ATOM 1433 CG LYS A 95 15.242 5.024 1.414 1.00 0.64 C ATOM 1434 CD LYS A 95 15.331 4.624 2.883 1.00 0.56 C ATOM 1435 CE LYS A 95 16.076 3.303 3.063 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.442 3.327 2.469 1.00 0.96 N ATOM 0 H LYS A 95 11.537 5.036 0.085 1.00 0.33 H new ATOM 0 HA LYS A 95 13.759 3.229 -0.063 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.779 5.753 0.045 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.221 5.639 1.702 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.774 4.292 0.806 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.741 5.982 1.268 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.839 5.408 3.444 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.327 4.535 3.298 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.151 3.075 4.126 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.499 2.500 2.604 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.052 2.654 2.975 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.389 3.060 1.465 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.840 4.284 2.552 1.00 0.96 H new ATOM 1450 N ARG A 96 11.943 3.362 2.675 1.00 0.45 N ATOM 1451 CA ARG A 96 11.661 2.666 3.920 1.00 0.51 C ATOM 1452 C ARG A 96 11.101 1.277 3.631 1.00 0.57 C ATOM 1453 O ARG A 96 11.153 0.390 4.477 1.00 0.72 O ATOM 1454 CB ARG A 96 10.685 3.454 4.796 1.00 0.55 C ATOM 1455 CG ARG A 96 11.061 4.915 5.005 1.00 0.59 C ATOM 1456 CD ARG A 96 12.464 5.097 5.567 1.00 0.72 C ATOM 1457 NE ARG A 96 12.795 6.516 5.715 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.867 6.979 6.356 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.750 6.146 6.890 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.061 8.287 6.461 1.00 3.57 N ATOM 0 H ARG A 96 11.342 4.166 2.492 1.00 0.45 H new ATOM 0 HA ARG A 96 12.599 2.570 4.467 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.694 3.408 4.345 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.616 2.967 5.769 1.00 0.55 H new ATOM 0 HG2 ARG A 96 10.986 5.443 4.054 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.342 5.375 5.683 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.538 4.601 6.535 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.188 4.619 4.907 1.00 0.72 H new ATOM 0 HE ARG A 96 12.160 7.197 5.298 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.612 5.138 6.812 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.567 6.513 7.378 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.390 8.937 6.051 1.00 3.57 H new ATOM 0 HH22 ARG A 96 14.881 8.643 6.952 1.00 3.57 H new ATOM 1474 N LEU A 97 10.525 1.125 2.447 1.00 0.52 N ATOM 1475 CA LEU A 97 10.017 -0.151 1.982 1.00 0.57 C ATOM 1476 C LEU A 97 11.153 -1.053 1.514 1.00 0.64 C ATOM 1477 O LEU A 97 11.299 -2.183 1.975 1.00 0.96 O ATOM 1478 CB LEU A 97 9.058 0.097 0.819 1.00 0.70 C ATOM 1479 CG LEU A 97 8.012 -0.980 0.582 1.00 0.88 C ATOM 1480 CD1 LEU A 97 6.919 -0.439 -0.319 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.627 -2.229 -0.030 1.00 1.65 C ATOM 0 H LEU A 97 10.398 1.888 1.782 1.00 0.52 H new ATOM 0 HA LEU A 97 9.502 -0.647 2.805 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.545 1.043 0.991 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.645 0.214 -0.092 1.00 0.70 H new ATOM 0 HG LEU A 97 7.586 -1.260 1.546 1.00 0.88 H new ATOM 0 HD11 LEU A 97 6.170 -1.213 -0.488 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.450 0.423 0.155 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.350 -0.137 -1.274 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.851 -2.978 -0.186 1.00 1.65 H new ATOM 0 HD22 LEU A 97 9.086 -1.978 -0.986 1.00 1.65 H new ATOM 0 HD23 LEU A 97 9.386 -2.628 0.643 1.00 1.65 H new ATOM 1493 N THR A 98 11.963 -0.526 0.612 1.00 0.54 N ATOM 1494 CA THR A 98 12.942 -1.324 -0.099 1.00 0.65 C ATOM 1495 C THR A 98 14.268 -1.340 0.628 1.00 0.74 C ATOM 1496 O THR A 98 15.127 -0.483 0.432 1.00 1.53 O ATOM 1497 CB THR A 98 13.145 -0.828 -1.544 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.871 -0.558 -2.144 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.890 -1.867 -2.373 1.00 1.12 C ATOM 0 H THR A 98 11.960 0.461 0.354 1.00 0.54 H new ATOM 0 HA THR A 98 12.549 -2.340 -0.139 1.00 0.65 H new ATOM 0 HB THR A 98 13.740 0.085 -1.516 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.513 0.282 -1.788 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.022 -1.495 -3.389 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.866 -2.057 -1.927 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.316 -2.793 -2.397 1.00 1.12 H new ATOM 1507 N LYS A 99 14.391 -2.317 1.491 1.00 0.79 N ATOM 1508 CA LYS A 99 15.597 -2.554 2.241 1.00 1.12 C ATOM 1509 C LYS A 99 15.930 -4.024 2.195 1.00 1.36 C ATOM 1510 O LYS A 99 15.231 -4.843 2.789 1.00 2.28 O ATOM 1511 CB LYS A 99 15.387 -2.132 3.673 1.00 1.29 C ATOM 1512 CG LYS A 99 15.569 -0.657 3.922 1.00 1.18 C ATOM 1513 CD LYS A 99 14.965 -0.290 5.255 1.00 1.56 C ATOM 1514 CE LYS A 99 13.575 -0.878 5.377 1.00 1.98 C ATOM 1515 NZ LYS A 99 12.999 -0.672 6.723 1.00 2.72 N ATOM 0 H LYS A 99 13.643 -2.980 1.695 1.00 0.79 H new ATOM 0 HA LYS A 99 16.416 -1.979 1.809 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.381 -2.418 3.979 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.082 -2.683 4.307 1.00 1.29 H new ATOM 0 HG2 LYS A 99 16.629 -0.404 3.910 1.00 1.18 H new ATOM 0 HG3 LYS A 99 15.095 -0.082 3.126 1.00 1.18 H new ATOM 0 HD2 LYS A 99 15.597 -0.659 6.063 1.00 1.56 H new ATOM 0 HD3 LYS A 99 14.920 0.794 5.356 1.00 1.56 H new ATOM 0 HE2 LYS A 99 12.923 -0.424 4.631 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.613 -1.945 5.159 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.196 -1.319 6.860 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 13.724 -0.863 7.444 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 12.671 0.311 6.814 1.00 2.72 H new ATOM 1529 N ARG A 100 16.990 -4.358 1.489 1.00 1.04 N ATOM 1530 CA ARG A 100 17.396 -5.747 1.340 1.00 1.17 C ATOM 1531 C ARG A 100 18.087 -6.255 2.617 1.00 1.12 C ATOM 1532 O ARG A 100 19.009 -7.070 2.564 1.00 1.39 O ATOM 1533 CB ARG A 100 18.302 -5.897 0.114 1.00 1.55 C ATOM 1534 CG ARG A 100 19.603 -5.108 0.174 1.00 2.10 C ATOM 1535 CD ARG A 100 20.383 -5.252 -1.127 1.00 2.50 C ATOM 1536 NE ARG A 100 21.825 -5.075 -0.950 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.733 -5.482 -1.844 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.342 -5.987 -3.012 1.00 3.60 N ATOM 1539 NH2 ARG A 100 24.030 -5.373 -1.577 1.00 4.38 N ATOM 0 H ARG A 100 17.589 -3.688 1.007 1.00 1.04 H new ATOM 0 HA ARG A 100 16.508 -6.361 1.186 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.541 -6.953 -0.016 1.00 1.55 H new ATOM 0 HB3 ARG A 100 17.746 -5.585 -0.770 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.387 -4.056 0.359 1.00 2.10 H new ATOM 0 HG3 ARG A 100 20.210 -5.461 1.008 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.193 -6.238 -1.551 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.018 -4.519 -1.847 1.00 2.50 H new ATOM 0 HE ARG A 100 22.155 -4.617 -0.100 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.348 -6.064 -3.227 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.036 -6.297 -3.692 1.00 3.60 H new ATOM 0 HH21 ARG A 100 24.336 -4.978 -0.688 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.719 -5.684 -2.261 1.00 4.38 H new ATOM 1553 N SER A 101 17.595 -5.796 3.761 1.00 1.05 N ATOM 1554 CA SER A 101 18.172 -6.124 5.051 1.00 1.37 C ATOM 1555 C SER A 101 17.128 -6.742 5.985 1.00 1.22 C ATOM 1556 O SER A 101 17.298 -7.875 6.444 1.00 1.64 O ATOM 1557 CB SER A 101 18.787 -4.868 5.679 1.00 1.90 C ATOM 1558 OG SER A 101 17.951 -3.735 5.486 1.00 2.51 O ATOM 0 H SER A 101 16.781 -5.184 3.816 1.00 1.05 H new ATOM 0 HA SER A 101 18.956 -6.866 4.900 1.00 1.37 H new ATOM 0 HB2 SER A 101 18.943 -5.031 6.745 1.00 1.90 H new ATOM 0 HB3 SER A 101 19.766 -4.680 5.238 1.00 1.90 H new ATOM 0 HG SER A 101 17.505 -3.510 6.329 1.00 2.51 H new ATOM 1564 N GLU A 102 16.049 -6.006 6.258 1.00 1.06 N ATOM 1565 CA GLU A 102 14.995 -6.489 7.152 1.00 1.19 C ATOM 1566 C GLU A 102 14.345 -7.765 6.616 1.00 0.93 C ATOM 1567 O GLU A 102 14.225 -7.957 5.407 1.00 1.34 O ATOM 1568 CB GLU A 102 13.930 -5.414 7.393 1.00 1.63 C ATOM 1569 CG GLU A 102 14.307 -4.408 8.473 1.00 2.12 C ATOM 1570 CD GLU A 102 15.135 -3.245 7.965 1.00 2.70 C ATOM 1571 OE1 GLU A 102 16.218 -3.473 7.395 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.702 -2.088 8.160 1.00 2.95 O ATOM 0 H GLU A 102 15.882 -5.076 5.874 1.00 1.06 H new ATOM 0 HA GLU A 102 15.470 -6.723 8.105 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.748 -4.881 6.460 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.994 -5.899 7.671 1.00 1.63 H new ATOM 0 HG2 GLU A 102 13.396 -4.021 8.930 1.00 2.12 H new ATOM 0 HG3 GLU A 102 14.863 -4.922 9.257 1.00 2.12 H new ATOM 1579 N GLU A 103 13.911 -8.628 7.536 1.00 0.74 N ATOM 1580 CA GLU A 103 13.411 -9.963 7.187 1.00 0.68 C ATOM 1581 C GLU A 103 11.935 -9.952 6.778 1.00 0.54 C ATOM 1582 O GLU A 103 11.454 -10.890 6.144 1.00 0.61 O ATOM 1583 CB GLU A 103 13.566 -10.912 8.377 1.00 0.95 C ATOM 1584 CG GLU A 103 12.664 -10.540 9.544 1.00 1.37 C ATOM 1585 CD GLU A 103 12.569 -11.622 10.596 1.00 2.16 C ATOM 1586 OE1 GLU A 103 11.903 -12.644 10.341 1.00 2.68 O ATOM 1587 OE2 GLU A 103 13.184 -11.468 11.673 1.00 2.58 O ATOM 0 H GLU A 103 13.895 -8.426 8.536 1.00 0.74 H new ATOM 0 HA GLU A 103 14.004 -10.300 6.337 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.339 -11.929 8.058 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.604 -10.906 8.709 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.038 -9.626 10.006 1.00 1.37 H new ATOM 0 HG3 GLU A 103 11.665 -10.321 9.167 1.00 1.37 H new ATOM 1594 N VAL A 104 11.223 -8.902 7.142 1.00 0.40 N ATOM 1595 CA VAL A 104 9.780 -8.872 6.968 1.00 0.33 C ATOM 1596 C VAL A 104 9.325 -7.474 6.599 1.00 0.29 C ATOM 1597 O VAL A 104 9.898 -6.484 7.055 1.00 0.34 O ATOM 1598 CB VAL A 104 9.040 -9.360 8.243 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.447 -8.554 9.465 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.529 -9.316 8.056 1.00 0.37 C ATOM 0 H VAL A 104 11.618 -8.059 7.559 1.00 0.40 H new ATOM 0 HA VAL A 104 9.529 -9.555 6.157 1.00 0.33 H new ATOM 0 HB VAL A 104 9.334 -10.397 8.409 1.00 0.38 H new ATOM 0 HG11 VAL A 104 8.910 -8.922 10.339 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.520 -8.657 9.628 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.204 -7.504 9.306 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.040 -9.664 8.966 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.218 -8.293 7.845 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.247 -9.960 7.223 1.00 0.37 H new ATOM 1610 N VAL A 105 8.304 -7.392 5.769 1.00 0.28 N ATOM 1611 CA VAL A 105 7.849 -6.121 5.269 1.00 0.28 C ATOM 1612 C VAL A 105 6.463 -5.793 5.749 1.00 0.26 C ATOM 1613 O VAL A 105 5.490 -6.509 5.503 1.00 0.26 O ATOM 1614 CB VAL A 105 7.912 -6.045 3.747 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.172 -4.825 3.241 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.358 -6.003 3.333 1.00 0.46 C ATOM 0 H VAL A 105 7.776 -8.196 5.429 1.00 0.28 H new ATOM 0 HA VAL A 105 8.534 -5.375 5.671 1.00 0.28 H new ATOM 0 HB VAL A 105 7.430 -6.921 3.313 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.229 -4.790 2.153 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.127 -4.880 3.548 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.626 -3.926 3.657 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.424 -5.948 2.246 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.836 -5.126 3.770 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.863 -6.904 3.682 1.00 0.46 H new ATOM 1626 N ARG A 106 6.416 -4.710 6.471 1.00 0.29 N ATOM 1627 CA ARG A 106 5.210 -4.222 7.065 1.00 0.28 C ATOM 1628 C ARG A 106 4.626 -3.122 6.207 1.00 0.26 C ATOM 1629 O ARG A 106 5.331 -2.200 5.810 1.00 0.32 O ATOM 1630 CB ARG A 106 5.520 -3.717 8.459 1.00 0.35 C ATOM 1631 CG ARG A 106 6.198 -4.762 9.331 1.00 0.43 C ATOM 1632 CD ARG A 106 7.692 -4.922 9.014 1.00 0.54 C ATOM 1633 NE ARG A 106 8.506 -4.944 10.235 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.694 -4.348 10.364 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.306 -3.828 9.305 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.294 -4.334 11.550 1.00 1.46 N ATOM 0 H ARG A 106 7.233 -4.132 6.666 1.00 0.29 H new ATOM 0 HA ARG A 106 4.474 -5.023 7.134 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.162 -2.839 8.387 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.595 -3.397 8.938 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.081 -4.486 10.379 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.698 -5.721 9.196 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.849 -5.845 8.455 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.018 -4.102 8.374 1.00 0.54 H new ATOM 0 HE ARG A 106 8.139 -5.450 11.041 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.868 -3.882 8.385 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.213 -3.374 9.412 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.847 -4.776 12.353 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.202 -3.881 11.657 1.00 1.46 H new ATOM 1650 N LEU A 107 3.365 -3.237 5.904 1.00 0.24 N ATOM 1651 CA LEU A 107 2.686 -2.256 5.075 1.00 0.24 C ATOM 1652 C LEU A 107 1.349 -1.884 5.695 1.00 0.21 C ATOM 1653 O LEU A 107 0.543 -2.767 5.970 1.00 0.28 O ATOM 1654 CB LEU A 107 2.477 -2.838 3.675 1.00 0.37 C ATOM 1655 CG LEU A 107 1.995 -1.851 2.616 1.00 0.57 C ATOM 1656 CD1 LEU A 107 3.076 -0.832 2.304 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.589 -2.588 1.354 1.00 1.12 C ATOM 0 H LEU A 107 2.772 -4.006 6.218 1.00 0.24 H new ATOM 0 HA LEU A 107 3.296 -1.355 5.004 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.417 -3.274 3.338 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.755 -3.652 3.743 1.00 0.37 H new ATOM 0 HG LEU A 107 1.126 -1.323 3.009 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.713 -0.137 1.547 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.330 -0.282 3.210 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.963 -1.345 1.931 1.00 0.98 H new ATOM 0 HD21 LEU A 107 1.247 -1.871 0.608 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.445 -3.139 0.963 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.783 -3.285 1.583 1.00 1.12 H new ATOM 1669 N LEU A 108 1.090 -0.601 5.922 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.193 -0.202 6.431 1.00 0.15 C ATOM 1671 C LEU A 108 -0.995 0.335 5.271 1.00 0.15 C ATOM 1672 O LEU A 108 -0.498 1.137 4.498 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.017 0.838 7.530 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.280 1.229 8.295 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.062 -0.019 8.719 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -0.900 2.060 9.519 1.00 0.26 C ATOM 0 H LEU A 108 1.748 0.162 5.761 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.722 -1.045 6.876 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.714 0.461 8.245 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.407 1.738 7.085 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.919 1.824 7.643 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -2.958 0.280 9.263 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.347 -0.588 7.834 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.437 -0.639 9.362 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.802 2.338 10.064 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.250 1.474 10.169 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.377 2.961 9.199 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.203 -0.137 5.120 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.985 0.161 3.946 1.00 0.21 C ATOM 1690 C VAL A 109 -4.375 0.605 4.321 1.00 0.22 C ATOM 1691 O VAL A 109 -4.970 0.132 5.279 1.00 0.27 O ATOM 1692 CB VAL A 109 -3.053 -1.082 3.025 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.345 -1.137 2.227 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -1.848 -1.129 2.102 1.00 0.77 C ATOM 0 H VAL A 109 -2.672 -0.735 5.800 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.500 0.978 3.411 1.00 0.21 H new ATOM 0 HB VAL A 109 -3.038 -1.962 3.669 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.346 -2.026 1.596 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -5.193 -1.176 2.910 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.424 -0.248 1.601 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.914 -2.009 1.463 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -1.828 -0.232 1.483 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -0.936 -1.180 2.697 1.00 0.77 H new ATOM 1704 N THR A 110 -4.850 1.575 3.614 1.00 0.22 N ATOM 1705 CA THR A 110 -6.256 1.853 3.624 1.00 0.25 C ATOM 1706 C THR A 110 -6.881 1.376 2.331 1.00 0.26 C ATOM 1707 O THR A 110 -6.549 1.858 1.243 1.00 0.30 O ATOM 1708 CB THR A 110 -6.526 3.335 3.822 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.339 4.007 4.261 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.615 3.529 4.839 1.00 0.33 C ATOM 0 H THR A 110 -4.291 2.190 3.022 1.00 0.22 H new ATOM 0 HA THR A 110 -6.703 1.319 4.462 1.00 0.25 H new ATOM 0 HB THR A 110 -6.841 3.757 2.868 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.656 3.957 3.560 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.801 4.594 4.974 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.527 3.042 4.493 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.308 3.091 5.789 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.775 0.415 2.461 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.313 -0.282 1.320 1.00 0.37 C ATOM 1720 C ARG A 111 -9.805 0.013 1.173 1.00 0.42 C ATOM 1721 O ARG A 111 -10.538 0.109 2.156 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.005 -1.778 1.477 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.201 -2.669 1.768 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.774 -4.113 1.984 1.00 0.58 C ATOM 1725 NE ARG A 111 -9.819 -4.919 2.621 1.00 1.06 N ATOM 1726 CZ ARG A 111 -9.895 -6.250 2.536 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -9.084 -6.926 1.732 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -10.816 -6.901 3.235 1.00 2.01 N ATOM 0 H ARG A 111 -8.144 0.100 3.358 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.847 0.062 0.397 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.527 -2.130 0.563 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.281 -1.899 2.282 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.722 -2.305 2.654 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.907 -2.616 0.939 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.511 -4.558 1.024 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -7.876 -4.134 2.602 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.533 -4.433 3.163 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.393 -6.429 1.170 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -9.152 -7.942 1.676 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -11.461 -6.385 3.833 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -10.879 -7.917 3.174 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.235 0.180 -0.066 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.583 0.658 -0.369 1.00 0.71 C ATOM 1744 C GLN A 112 -12.351 -0.361 -1.159 1.00 0.89 C ATOM 1745 O GLN A 112 -13.536 -0.598 -0.939 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.528 1.944 -1.194 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.213 2.164 -1.914 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.129 2.706 -0.994 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.407 3.457 -0.060 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -7.889 2.321 -1.234 1.00 0.66 N ATOM 0 H GLN A 112 -9.666 -0.010 -0.891 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.078 0.841 0.584 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.333 1.926 -1.929 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.716 2.793 -0.536 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -9.879 1.222 -2.349 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.366 2.860 -2.739 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -7.691 1.697 -2.017 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.129 2.647 -0.637 1.00 0.66 H new ATOM 1759 N SER A 113 -11.655 -0.944 -2.089 1.00 0.79 N ATOM 1760 CA SER A 113 -12.251 -1.782 -3.079 1.00 0.96 C ATOM 1761 C SER A 113 -11.156 -2.659 -3.654 1.00 0.89 C ATOM 1762 O SER A 113 -10.416 -3.289 -2.899 1.00 1.18 O ATOM 1763 CB SER A 113 -12.895 -0.870 -4.137 1.00 1.25 C ATOM 1764 OG SER A 113 -13.569 -1.596 -5.151 1.00 1.62 O ATOM 0 H SER A 113 -10.644 -0.848 -2.180 1.00 0.79 H new ATOM 0 HA SER A 113 -13.029 -2.431 -2.676 1.00 0.96 H new ATOM 0 HB2 SER A 113 -13.600 -0.197 -3.649 1.00 1.25 H new ATOM 0 HB3 SER A 113 -12.124 -0.249 -4.593 1.00 1.25 H new ATOM 0 HG SER A 113 -13.961 -0.971 -5.796 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.058 -2.679 -4.973 1.00 0.90 N ATOM 1771 CA LEU A 114 -9.956 -3.323 -5.692 1.00 0.94 C ATOM 1772 C LEU A 114 -9.944 -4.845 -5.475 1.00 1.13 C ATOM 1773 O LEU A 114 -9.097 -5.554 -6.022 1.00 1.65 O ATOM 1774 CB LEU A 114 -8.594 -2.735 -5.267 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.450 -1.196 -5.205 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.441 -0.475 -6.112 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -8.583 -0.706 -3.770 1.00 1.23 C ATOM 0 H LEU A 114 -11.747 -2.245 -5.588 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.117 -3.125 -6.752 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.353 -3.132 -4.281 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -7.839 -3.113 -5.956 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.453 -0.956 -5.574 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.294 0.602 -6.028 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.280 -0.784 -7.145 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.458 -0.727 -5.812 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -8.479 0.379 -3.745 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.561 -0.986 -3.379 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -7.804 -1.159 -3.157 1.00 1.23 H new