USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 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 68 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 GLN : amide:sc= -1.09! K(o=-1.1!,f=0) USER MOD Set 3.1: A 17 GLN : amide:sc= -0.32 K(o=1,f=-0.21) USER MOD Set 3.2: A 91 LYS NZ :NH3+ 156:sc= 1.33 (180deg=0.545) USER MOD Single : A 13 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.34) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.05) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0397 K(o=-0.04,f=-0.72) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.18) USER MOD Single : A 38 MET CE :methyl -161:sc= -0.148 (180deg=-0.577) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 90:sc= 1.26 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -101:sc= -0.22 USER MOD Single : A 63 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.03! K(o=-3!,f=-0.4) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -4.13! K(o=-4.1!,f=-2) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 89 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.85) 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+ -151:sc= 0.901 (180deg=-0.526) USER MOD Single : A 111 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 11.422 -1.961 4.416 1.00 3.85 N ATOM 109 CA ARG A 9 10.065 -1.649 4.812 1.00 3.14 C ATOM 110 C ARG A 9 10.126 -0.455 5.742 1.00 2.98 C ATOM 111 O ARG A 9 10.305 -0.603 6.945 1.00 3.23 O ATOM 112 CB ARG A 9 9.423 -2.857 5.489 1.00 2.97 C ATOM 113 CG ARG A 9 10.393 -3.621 6.361 1.00 3.11 C ATOM 114 CD ARG A 9 9.826 -4.965 6.781 1.00 3.35 C ATOM 115 NE ARG A 9 10.767 -5.745 7.590 1.00 3.78 N ATOM 116 CZ ARG A 9 11.197 -5.395 8.803 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.496 -4.528 9.513 1.00 4.46 N ATOM 118 NH2 ARG A 9 12.049 -6.187 9.430 1.00 4.95 N ATOM 0 HA ARG A 9 9.449 -1.407 3.946 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.581 -2.524 6.095 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.022 -3.525 4.727 1.00 2.97 H new ATOM 0 HG2 ARG A 9 11.328 -3.772 5.821 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.629 -3.032 7.247 1.00 3.11 H new ATOM 0 HD2 ARG A 9 8.909 -4.807 7.348 1.00 3.35 H new ATOM 0 HD3 ARG A 9 9.557 -5.536 5.892 1.00 3.35 H new ATOM 0 HE ARG A 9 11.118 -6.618 7.197 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.636 -4.134 9.132 1.00 4.46 H new ATOM 0 HH12 ARG A 9 10.815 -4.253 10.442 1.00 4.46 H new ATOM 0 HH21 ARG A 9 12.366 -7.049 8.986 1.00 4.95 H new ATOM 0 HH22 ARG A 9 12.389 -5.937 10.358 1.00 4.95 H new ATOM 132 N ILE A 10 10.026 0.734 5.166 1.00 2.78 N ATOM 133 CA ILE A 10 10.132 1.966 5.931 1.00 2.70 C ATOM 134 C ILE A 10 8.787 2.407 6.503 1.00 2.20 C ATOM 135 O ILE A 10 8.738 3.024 7.565 1.00 2.49 O ATOM 136 CB ILE A 10 10.740 3.097 5.056 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.047 4.354 5.879 1.00 2.80 C ATOM 138 CG2 ILE A 10 9.810 3.425 3.901 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.110 4.144 6.938 1.00 3.25 C ATOM 0 H ILE A 10 9.871 0.871 4.167 1.00 2.78 H new ATOM 0 HA ILE A 10 10.795 1.766 6.773 1.00 2.70 H new ATOM 0 HB ILE A 10 11.687 2.734 4.656 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.369 5.148 5.206 1.00 2.80 H new ATOM 0 HG13 ILE A 10 10.130 4.696 6.360 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.248 4.219 3.296 1.00 2.55 H new ATOM 0 HG22 ILE A 10 9.667 2.537 3.286 1.00 2.55 H new ATOM 0 HG23 ILE A 10 8.847 3.755 4.291 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.273 5.076 7.479 1.00 3.25 H new ATOM 0 HD12 ILE A 10 11.782 3.372 7.635 1.00 3.25 H new ATOM 0 HD13 ILE A 10 13.040 3.832 6.463 1.00 3.25 H new ATOM 151 N ILE A 11 7.695 2.097 5.808 1.00 1.98 N ATOM 152 CA ILE A 11 6.377 2.485 6.281 1.00 1.56 C ATOM 153 C ILE A 11 5.701 1.323 7.008 1.00 1.31 C ATOM 154 O ILE A 11 6.057 1.011 8.140 1.00 1.71 O ATOM 155 CB ILE A 11 5.468 2.999 5.134 1.00 1.37 C ATOM 156 CG1 ILE A 11 6.219 4.030 4.282 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.198 3.615 5.702 1.00 1.05 C ATOM 158 CD1 ILE A 11 5.395 4.624 3.151 1.00 2.05 C ATOM 0 H ILE A 11 7.700 1.584 4.926 1.00 1.98 H new ATOM 0 HA ILE A 11 6.521 3.310 6.979 1.00 1.56 H new ATOM 0 HB ILE A 11 5.195 2.154 4.502 1.00 1.37 H new ATOM 0 HG12 ILE A 11 6.563 4.837 4.928 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.107 3.559 3.861 1.00 1.94 H new ATOM 0 HG21 ILE A 11 3.570 3.971 4.886 1.00 1.05 H new ATOM 0 HG22 ILE A 11 3.655 2.865 6.277 1.00 1.05 H new ATOM 0 HG23 ILE A 11 4.458 4.451 6.351 1.00 1.05 H new ATOM 0 HD11 ILE A 11 6.000 5.343 2.599 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.073 3.829 2.479 1.00 2.05 H new ATOM 0 HD13 ILE A 11 4.520 5.127 3.563 1.00 2.05 H new ATOM 170 N ARG A 12 4.722 0.689 6.373 1.00 0.96 N ATOM 171 CA ARG A 12 4.007 -0.412 7.007 1.00 1.02 C ATOM 172 C ARG A 12 3.444 -1.389 5.984 1.00 0.77 C ATOM 173 O ARG A 12 3.183 -1.024 4.837 1.00 0.91 O ATOM 174 CB ARG A 12 2.868 0.169 7.858 1.00 1.53 C ATOM 175 CG ARG A 12 1.919 -0.851 8.462 1.00 2.10 C ATOM 176 CD ARG A 12 2.554 -1.593 9.616 1.00 2.67 C ATOM 177 NE ARG A 12 1.617 -2.527 10.241 1.00 3.29 N ATOM 178 CZ ARG A 12 1.913 -3.282 11.299 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.178 -3.436 11.654 1.00 4.30 N ATOM 180 NH2 ARG A 12 0.989 -4.066 11.837 1.00 4.72 N ATOM 0 H ARG A 12 4.408 0.915 5.429 1.00 0.96 H new ATOM 0 HA ARG A 12 4.708 -0.967 7.631 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.304 0.757 8.666 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.290 0.856 7.240 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.015 -0.348 8.806 1.00 2.10 H new ATOM 0 HG3 ARG A 12 1.615 -1.563 7.695 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.429 -2.138 9.261 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.905 -0.877 10.360 1.00 2.67 H new ATOM 0 HE ARG A 12 0.681 -2.605 9.843 1.00 3.29 H new ATOM 0 HH11 ARG A 12 3.917 -2.979 11.120 1.00 4.30 H new ATOM 0 HH12 ARG A 12 3.414 -4.012 12.462 1.00 4.30 H new ATOM 0 HH21 ARG A 12 0.049 -4.092 11.441 1.00 4.72 H new ATOM 0 HH22 ARG A 12 1.218 -4.643 12.647 1.00 4.72 H new ATOM 194 N HIS A 13 3.234 -2.619 6.429 1.00 0.70 N ATOM 195 CA HIS A 13 2.662 -3.655 5.588 1.00 0.68 C ATOM 196 C HIS A 13 1.432 -4.249 6.280 1.00 0.74 C ATOM 197 O HIS A 13 1.514 -4.722 7.416 1.00 1.04 O ATOM 198 CB HIS A 13 3.693 -4.748 5.269 1.00 0.93 C ATOM 199 CG HIS A 13 4.141 -5.566 6.454 1.00 1.07 C ATOM 200 ND1 HIS A 13 4.903 -5.063 7.489 1.00 1.69 N ATOM 201 CD2 HIS A 13 3.895 -6.861 6.774 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.098 -6.009 8.391 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.499 -7.106 7.981 1.00 1.80 N ATOM 0 H HIS A 13 3.454 -2.924 7.377 1.00 0.70 H new ATOM 0 HA HIS A 13 2.360 -3.211 4.640 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.269 -5.419 4.522 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.568 -4.281 4.817 1.00 0.93 H new ATOM 0 HD2 HIS A 13 3.328 -7.569 6.187 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.655 -5.900 9.310 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.486 -7.995 8.480 1.00 1.80 H new ATOM 212 N ASP A 14 0.291 -4.197 5.611 1.00 0.60 N ATOM 213 CA ASP A 14 -0.954 -4.705 6.179 1.00 0.69 C ATOM 214 C ASP A 14 -1.825 -5.359 5.108 1.00 0.61 C ATOM 215 O ASP A 14 -1.945 -4.855 3.996 1.00 0.86 O ATOM 216 CB ASP A 14 -1.707 -3.560 6.854 1.00 0.83 C ATOM 217 CG ASP A 14 -1.649 -3.621 8.364 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.292 -4.515 8.951 1.00 2.03 O ATOM 219 OD2 ASP A 14 -0.956 -2.782 8.980 1.00 1.78 O ATOM 0 H ASP A 14 0.198 -3.808 4.673 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.714 -5.469 6.919 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.290 -2.611 6.518 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.749 -3.580 6.535 1.00 0.83 H new ATOM 224 N ALA A 15 -2.429 -6.485 5.455 1.00 0.75 N ATOM 225 CA ALA A 15 -3.287 -7.215 4.533 1.00 0.71 C ATOM 226 C ALA A 15 -4.695 -6.640 4.539 1.00 0.68 C ATOM 227 O ALA A 15 -5.372 -6.643 5.569 1.00 0.88 O ATOM 228 CB ALA A 15 -3.301 -8.688 4.906 1.00 0.84 C ATOM 0 H ALA A 15 -2.340 -6.916 6.375 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.891 -7.112 3.523 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.944 -9.232 4.214 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.288 -9.087 4.850 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.681 -8.803 5.921 1.00 0.84 H new ATOM 234 N PHE A 16 -5.132 -6.135 3.393 1.00 0.60 N ATOM 235 CA PHE A 16 -6.455 -5.547 3.294 1.00 0.67 C ATOM 236 C PHE A 16 -7.348 -6.278 2.303 1.00 0.68 C ATOM 237 O PHE A 16 -7.291 -6.039 1.089 1.00 1.00 O ATOM 238 CB PHE A 16 -6.384 -4.072 2.900 1.00 0.77 C ATOM 239 CG PHE A 16 -6.000 -3.149 4.021 1.00 1.09 C ATOM 240 CD1 PHE A 16 -4.743 -3.213 4.584 1.00 1.83 C ATOM 241 CD2 PHE A 16 -6.897 -2.206 4.497 1.00 1.74 C ATOM 242 CE1 PHE A 16 -4.392 -2.365 5.613 1.00 2.36 C ATOM 243 CE2 PHE A 16 -6.550 -1.357 5.528 1.00 2.26 C ATOM 244 CZ PHE A 16 -5.294 -1.434 6.084 1.00 2.35 C ATOM 0 H PHE A 16 -4.593 -6.122 2.527 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.893 -5.641 4.288 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.664 -3.959 2.090 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.354 -3.766 2.509 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -4.027 -3.933 4.216 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -7.880 -2.135 4.055 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -3.407 -2.430 6.052 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -7.262 -0.634 5.897 1.00 2.26 H new ATOM 0 HZ PHE A 16 -5.015 -0.768 6.887 1.00 2.35 H new ATOM 254 N GLN A 17 -8.162 -7.172 2.831 1.00 0.59 N ATOM 255 CA GLN A 17 -9.096 -7.942 2.026 1.00 0.60 C ATOM 256 C GLN A 17 -10.260 -7.031 1.666 1.00 0.64 C ATOM 257 O GLN A 17 -11.135 -6.770 2.491 1.00 0.95 O ATOM 258 CB GLN A 17 -9.575 -9.166 2.811 1.00 0.74 C ATOM 259 CG GLN A 17 -10.553 -10.057 2.055 1.00 1.07 C ATOM 260 CD GLN A 17 -11.093 -11.194 2.906 1.00 1.26 C ATOM 261 OE1 GLN A 17 -10.333 -11.948 3.518 1.00 1.81 O ATOM 262 NE2 GLN A 17 -12.412 -11.329 2.952 1.00 1.63 N ATOM 0 H GLN A 17 -8.196 -7.386 3.828 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.618 -8.303 1.115 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.708 -9.761 3.097 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.048 -8.828 3.733 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.385 -9.452 1.695 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.057 -10.470 1.177 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -13.009 -10.686 2.432 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -12.829 -12.076 3.507 1.00 1.63 H new ATOM 271 N VAL A 18 -10.227 -6.486 0.460 1.00 0.51 N ATOM 272 CA VAL A 18 -11.246 -5.539 0.037 1.00 0.59 C ATOM 273 C VAL A 18 -11.687 -5.760 -1.402 1.00 0.60 C ATOM 274 O VAL A 18 -11.824 -6.886 -1.860 1.00 1.04 O ATOM 275 CB VAL A 18 -10.720 -4.093 0.149 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.764 -3.182 0.771 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.440 -4.048 0.954 1.00 0.84 C ATOM 0 H VAL A 18 -9.510 -6.682 -0.239 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.098 -5.699 0.697 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.509 -3.736 -0.859 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.369 -2.169 0.839 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.661 -3.181 0.152 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -12.013 -3.542 1.769 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -9.088 -3.019 1.020 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.627 -4.432 1.957 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.682 -4.661 0.466 1.00 0.84 H new ATOM 287 N TRP A 19 -11.915 -4.648 -2.089 1.00 0.63 N ATOM 288 CA TRP A 19 -12.367 -4.626 -3.475 1.00 0.65 C ATOM 289 C TRP A 19 -11.458 -3.717 -4.289 1.00 0.68 C ATOM 290 O TRP A 19 -11.238 -2.572 -3.893 1.00 1.04 O ATOM 291 CB TRP A 19 -13.787 -4.067 -3.509 1.00 0.72 C ATOM 292 CG TRP A 19 -14.738 -4.804 -2.610 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.443 -5.925 -2.929 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.060 -4.502 -1.237 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.203 -6.327 -1.858 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.982 -5.478 -0.808 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.664 -3.507 -0.322 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.520 -5.483 0.479 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.197 -3.519 0.956 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.114 -4.503 1.347 1.00 0.96 C ATOM 0 H TRP A 19 -11.789 -3.717 -1.691 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.343 -5.633 -3.892 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.763 -3.017 -3.218 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.161 -4.106 -4.532 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.409 -6.425 -3.886 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.832 -7.130 -1.847 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.955 -2.746 -0.613 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.234 -6.235 0.782 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.901 -2.758 1.662 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.509 -4.489 2.352 1.00 0.96 H new ATOM 311 N GLU A 20 -10.906 -4.189 -5.411 1.00 0.69 N ATOM 312 CA GLU A 20 -10.017 -3.371 -6.237 1.00 0.77 C ATOM 313 C GLU A 20 -10.844 -2.617 -7.272 1.00 1.18 C ATOM 314 O GLU A 20 -10.535 -2.589 -8.460 1.00 1.81 O ATOM 315 CB GLU A 20 -9.027 -4.300 -6.935 1.00 1.04 C ATOM 316 CG GLU A 20 -7.815 -3.625 -7.544 1.00 1.26 C ATOM 317 CD GLU A 20 -6.704 -4.626 -7.758 1.00 1.90 C ATOM 318 OE1 GLU A 20 -6.111 -5.055 -6.748 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.458 -5.027 -8.918 1.00 2.62 O ATOM 0 H GLU A 20 -11.060 -5.133 -5.767 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.479 -2.649 -5.623 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.684 -5.043 -6.215 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.555 -4.839 -7.722 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.086 -3.165 -8.494 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.470 -2.824 -6.890 1.00 1.26 H new ATOM 326 N GLY A 21 -11.918 -2.045 -6.785 1.00 1.49 N ATOM 327 CA GLY A 21 -12.845 -1.321 -7.615 1.00 1.95 C ATOM 328 C GLY A 21 -14.182 -1.254 -6.926 1.00 2.05 C ATOM 329 O GLY A 21 -14.239 -1.148 -5.704 1.00 2.48 O ATOM 0 H GLY A 21 -12.173 -2.070 -5.798 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.471 -0.315 -7.806 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -12.946 -1.813 -8.582 1.00 1.95 H new ATOM 333 N ASP A 22 -15.254 -1.349 -7.680 1.00 2.34 N ATOM 334 CA ASP A 22 -16.579 -1.322 -7.082 1.00 2.75 C ATOM 335 C ASP A 22 -17.257 -2.675 -7.260 1.00 2.43 C ATOM 336 O ASP A 22 -18.480 -2.791 -7.154 1.00 2.85 O ATOM 337 CB ASP A 22 -17.442 -0.208 -7.686 1.00 3.62 C ATOM 338 CG ASP A 22 -17.863 -0.483 -9.119 1.00 4.19 C ATOM 339 OD1 ASP A 22 -16.985 -0.529 -10.012 1.00 4.65 O ATOM 340 OD2 ASP A 22 -19.074 -0.656 -9.357 1.00 4.60 O ATOM 0 H ASP A 22 -15.241 -1.445 -8.695 1.00 2.34 H new ATOM 0 HA ASP A 22 -16.468 -1.114 -6.018 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -18.333 -0.075 -7.072 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -16.888 0.730 -7.651 1.00 3.62 H new ATOM 345 N GLU A 23 -16.454 -3.703 -7.533 1.00 2.07 N ATOM 346 CA GLU A 23 -17.008 -5.042 -7.726 1.00 2.37 C ATOM 347 C GLU A 23 -16.015 -6.169 -7.399 1.00 1.70 C ATOM 348 O GLU A 23 -16.322 -7.018 -6.566 1.00 1.86 O ATOM 349 CB GLU A 23 -17.536 -5.200 -9.157 1.00 3.34 C ATOM 350 CG GLU A 23 -17.996 -6.616 -9.490 1.00 4.22 C ATOM 351 CD GLU A 23 -18.342 -6.797 -10.953 1.00 5.12 C ATOM 352 OE1 GLU A 23 -18.133 -5.855 -11.742 1.00 5.52 O ATOM 353 OE2 GLU A 23 -18.808 -7.892 -11.325 1.00 5.78 O ATOM 0 H GLU A 23 -15.440 -3.638 -7.624 1.00 2.07 H new ATOM 0 HA GLU A 23 -17.829 -5.138 -7.016 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -18.369 -4.513 -9.305 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -16.754 -4.908 -9.857 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -17.210 -7.321 -9.218 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -18.868 -6.861 -8.883 1.00 4.22 H new ATOM 360 N PRO A 24 -14.843 -6.239 -8.068 1.00 1.42 N ATOM 361 CA PRO A 24 -13.878 -7.328 -7.838 1.00 1.17 C ATOM 362 C PRO A 24 -13.166 -7.255 -6.486 1.00 0.97 C ATOM 363 O PRO A 24 -12.316 -6.387 -6.264 1.00 1.08 O ATOM 364 CB PRO A 24 -12.859 -7.168 -8.984 1.00 1.65 C ATOM 365 CG PRO A 24 -13.480 -6.207 -9.945 1.00 2.09 C ATOM 366 CD PRO A 24 -14.377 -5.329 -9.126 1.00 2.00 C ATOM 0 HA PRO A 24 -14.388 -8.291 -7.821 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -11.907 -6.789 -8.612 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -12.656 -8.125 -9.464 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -12.718 -5.619 -10.456 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -14.045 -6.734 -10.714 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.841 -4.473 -8.716 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.205 -4.935 -9.715 1.00 2.00 H new ATOM 374 N PRO A 25 -13.491 -8.175 -5.558 1.00 0.88 N ATOM 375 CA PRO A 25 -12.878 -8.231 -4.238 1.00 0.77 C ATOM 376 C PRO A 25 -11.552 -8.975 -4.291 1.00 0.74 C ATOM 377 O PRO A 25 -11.473 -10.080 -4.832 1.00 0.92 O ATOM 378 CB PRO A 25 -13.894 -9.009 -3.391 1.00 0.92 C ATOM 379 CG PRO A 25 -15.030 -9.334 -4.312 1.00 1.08 C ATOM 380 CD PRO A 25 -14.481 -9.244 -5.709 1.00 1.09 C ATOM 0 HA PRO A 25 -12.660 -7.242 -3.836 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.449 -9.917 -2.983 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.235 -8.413 -2.545 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.420 -10.332 -4.111 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.855 -8.635 -4.173 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -14.029 -10.181 -6.034 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.251 -8.992 -6.438 1.00 1.09 H new ATOM 388 N LYS A 26 -10.512 -8.379 -3.738 1.00 0.65 N ATOM 389 CA LYS A 26 -9.200 -9.002 -3.745 1.00 0.73 C ATOM 390 C LYS A 26 -8.479 -8.815 -2.419 1.00 0.66 C ATOM 391 O LYS A 26 -8.574 -7.757 -1.790 1.00 0.88 O ATOM 392 CB LYS A 26 -8.333 -8.394 -4.838 1.00 0.95 C ATOM 393 CG LYS A 26 -8.786 -8.665 -6.253 1.00 1.34 C ATOM 394 CD LYS A 26 -7.797 -8.057 -7.225 1.00 1.42 C ATOM 395 CE LYS A 26 -8.193 -8.281 -8.665 1.00 1.61 C ATOM 396 NZ LYS A 26 -7.196 -7.679 -9.590 1.00 2.20 N ATOM 0 H LYS A 26 -10.549 -7.468 -3.280 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.357 -10.066 -3.922 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.293 -7.315 -4.688 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.316 -8.770 -4.722 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -8.864 -9.739 -6.422 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -9.778 -8.244 -6.416 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.717 -6.987 -7.035 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -6.810 -8.486 -7.051 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.278 -9.350 -8.861 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -9.175 -7.845 -8.848 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -7.589 -7.649 -10.552 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -6.971 -6.713 -9.277 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -6.329 -8.254 -9.588 1.00 2.20 H new ATOM 410 N LEU A 27 -7.721 -9.828 -2.029 1.00 0.67 N ATOM 411 CA LEU A 27 -6.931 -9.776 -0.807 1.00 0.65 C ATOM 412 C LEU A 27 -5.580 -9.133 -1.119 1.00 0.67 C ATOM 413 O LEU A 27 -4.636 -9.807 -1.540 1.00 1.02 O ATOM 414 CB LEU A 27 -6.736 -11.189 -0.238 1.00 0.76 C ATOM 415 CG LEU A 27 -5.769 -11.299 0.944 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.267 -10.480 2.127 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.558 -12.761 1.337 1.00 1.23 C ATOM 0 H LEU A 27 -7.636 -10.703 -2.546 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.452 -9.180 -0.058 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.707 -11.573 0.074 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.379 -11.837 -1.038 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.806 -10.892 0.636 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.565 -10.573 2.955 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.348 -9.433 1.836 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.245 -10.847 2.438 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.868 -12.816 2.179 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.513 -13.203 1.622 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -5.143 -13.309 0.491 1.00 1.23 H new ATOM 429 N ARG A 28 -5.499 -7.821 -0.954 1.00 0.57 N ATOM 430 CA ARG A 28 -4.273 -7.112 -1.260 1.00 0.59 C ATOM 431 C ARG A 28 -3.414 -6.890 -0.036 1.00 0.55 C ATOM 432 O ARG A 28 -3.818 -6.234 0.924 1.00 0.64 O ATOM 433 CB ARG A 28 -4.565 -5.761 -1.916 1.00 0.71 C ATOM 434 CG ARG A 28 -4.740 -5.833 -3.423 1.00 1.41 C ATOM 435 CD ARG A 28 -6.115 -6.355 -3.792 1.00 1.72 C ATOM 436 NE ARG A 28 -7.203 -5.577 -3.186 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.462 -4.300 -3.471 1.00 2.42 C ATOM 438 NH1 ARG A 28 -6.832 -3.711 -4.481 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.509 -3.700 -2.910 1.00 3.18 N ATOM 0 H ARG A 28 -6.261 -7.234 -0.614 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.723 -7.746 -1.955 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.469 -5.342 -1.475 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.751 -5.074 -1.687 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.596 -4.843 -3.856 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -3.975 -6.482 -3.850 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.225 -6.340 -4.876 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.200 -7.395 -3.477 1.00 1.72 H new ATOM 0 HE ARG A 28 -7.799 -6.043 -2.503 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.154 -4.235 -5.034 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -7.026 -2.735 -4.703 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -9.108 -4.216 -2.266 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.712 -2.724 -3.124 1.00 3.18 H new ATOM 453 N TYR A 29 -2.209 -7.403 -0.100 1.00 0.55 N ATOM 454 CA TYR A 29 -1.260 -7.219 0.967 1.00 0.59 C ATOM 455 C TYR A 29 -0.595 -5.860 0.755 1.00 0.55 C ATOM 456 O TYR A 29 0.354 -5.738 -0.014 1.00 0.70 O ATOM 457 CB TYR A 29 -0.234 -8.350 0.960 1.00 0.71 C ATOM 458 CG TYR A 29 -0.773 -9.707 1.380 1.00 0.77 C ATOM 459 CD1 TYR A 29 -2.066 -9.867 1.879 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.037 -10.829 1.304 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.526 -11.111 2.279 1.00 1.63 C ATOM 462 CE2 TYR A 29 -0.415 -12.070 1.706 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.696 -12.207 2.196 1.00 1.26 C ATOM 464 OH TYR A 29 -2.144 -13.447 2.603 1.00 1.58 O ATOM 0 H TYR A 29 -1.863 -7.954 -0.885 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.752 -7.242 1.939 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.183 -8.436 -0.043 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.587 -8.080 1.624 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.717 -9.009 1.955 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.043 -10.730 0.922 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.532 -11.221 2.655 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.233 -12.931 1.637 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.433 -14.110 2.476 1.00 1.58 H new ATOM 474 N VAL A 30 -1.153 -4.838 1.390 1.00 0.48 N ATOM 475 CA VAL A 30 -0.667 -3.475 1.237 1.00 0.48 C ATOM 476 C VAL A 30 0.699 -3.278 1.872 1.00 0.49 C ATOM 477 O VAL A 30 0.837 -3.257 3.093 1.00 0.59 O ATOM 478 CB VAL A 30 -1.654 -2.445 1.835 1.00 0.54 C ATOM 479 CG1 VAL A 30 -1.182 -1.022 1.566 1.00 0.60 C ATOM 480 CG2 VAL A 30 -3.050 -2.649 1.260 1.00 0.65 C ATOM 0 H VAL A 30 -1.949 -4.930 2.021 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.581 -3.308 0.163 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.690 -2.599 2.913 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.892 -0.316 1.996 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.202 -0.872 2.019 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -1.114 -0.859 0.490 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.732 -1.916 1.691 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -3.020 -2.523 0.178 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.399 -3.654 1.499 1.00 0.65 H new ATOM 490 N PHE A 31 1.693 -3.108 1.021 1.00 0.49 N ATOM 491 CA PHE A 31 3.057 -2.868 1.455 1.00 0.54 C ATOM 492 C PHE A 31 3.419 -1.450 1.068 1.00 0.52 C ATOM 493 O PHE A 31 3.455 -1.135 -0.117 1.00 0.56 O ATOM 494 CB PHE A 31 4.043 -3.810 0.753 1.00 0.61 C ATOM 495 CG PHE A 31 3.705 -5.272 0.812 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.724 -5.947 2.016 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.382 -5.970 -0.346 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.435 -7.294 2.077 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.087 -7.321 -0.290 1.00 1.49 C ATOM 500 CZ PHE A 31 3.115 -7.984 0.924 1.00 0.85 C ATOM 0 H PHE A 31 1.578 -3.132 0.008 1.00 0.49 H new ATOM 0 HA PHE A 31 3.118 -3.035 2.530 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.115 -3.515 -0.294 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.030 -3.666 1.193 1.00 0.61 H new ATOM 0 HD1 PHE A 31 3.968 -5.413 2.922 1.00 1.22 H new ATOM 0 HD2 PHE A 31 3.361 -5.455 -1.295 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.459 -7.809 3.026 1.00 1.30 H new ATOM 0 HE2 PHE A 31 2.835 -7.857 -1.193 1.00 1.49 H new ATOM 0 HZ PHE A 31 2.887 -9.039 0.970 1.00 0.85 H new ATOM 510 N LEU A 32 3.751 -0.596 2.009 1.00 0.57 N ATOM 511 CA LEU A 32 4.153 0.734 1.597 1.00 0.59 C ATOM 512 C LEU A 32 5.596 0.979 1.944 1.00 0.67 C ATOM 513 O LEU A 32 6.023 0.720 3.072 1.00 0.84 O ATOM 514 CB LEU A 32 3.337 1.871 2.192 1.00 0.74 C ATOM 515 CG LEU A 32 1.836 1.688 2.369 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.225 3.019 2.753 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.190 1.171 1.108 1.00 1.43 C ATOM 0 H LEU A 32 3.754 -0.779 3.012 1.00 0.57 H new ATOM 0 HA LEU A 32 3.980 0.743 0.521 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.758 2.101 3.171 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.490 2.749 1.565 1.00 0.74 H new ATOM 0 HG LEU A 32 1.663 0.951 3.153 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.149 2.902 2.883 1.00 1.10 H new ATOM 0 HD12 LEU A 32 1.667 3.367 3.687 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.418 3.748 1.966 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.119 1.052 1.270 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.358 1.879 0.297 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.626 0.207 0.844 1.00 1.43 H new ATOM 529 N PHE A 33 6.338 1.494 0.989 1.00 0.75 N ATOM 530 CA PHE A 33 7.735 1.795 1.203 1.00 0.96 C ATOM 531 C PHE A 33 8.029 3.186 0.664 1.00 1.08 C ATOM 532 O PHE A 33 7.118 3.922 0.283 1.00 1.56 O ATOM 533 CB PHE A 33 8.627 0.775 0.492 1.00 1.17 C ATOM 534 CG PHE A 33 8.289 -0.662 0.774 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.288 -1.141 2.070 1.00 1.79 C ATOM 536 CD2 PHE A 33 7.969 -1.531 -0.261 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.978 -2.461 2.333 1.00 2.06 C ATOM 538 CE2 PHE A 33 7.662 -2.853 -0.001 1.00 2.28 C ATOM 539 CZ PHE A 33 7.667 -3.320 1.298 1.00 2.01 C ATOM 0 H PHE A 33 5.995 1.714 0.054 1.00 0.75 H new ATOM 0 HA PHE A 33 7.945 1.751 2.272 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.563 0.944 -0.583 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.662 0.954 0.782 1.00 1.17 H new ATOM 0 HD1 PHE A 33 8.532 -0.477 2.886 1.00 1.79 H new ATOM 0 HD2 PHE A 33 7.960 -1.170 -1.279 1.00 2.01 H new ATOM 0 HE1 PHE A 33 7.979 -2.822 3.351 1.00 2.06 H new ATOM 0 HE2 PHE A 33 7.418 -3.521 -0.814 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.429 -4.353 1.504 1.00 2.01 H new ATOM 549 N ARG A 34 9.297 3.531 0.594 1.00 1.04 N ATOM 550 CA ARG A 34 9.697 4.811 0.055 1.00 1.17 C ATOM 551 C ARG A 34 9.752 4.696 -1.462 1.00 1.03 C ATOM 552 O ARG A 34 10.278 3.706 -1.977 1.00 1.87 O ATOM 553 CB ARG A 34 11.068 5.210 0.617 1.00 1.83 C ATOM 554 CG ARG A 34 11.608 6.527 0.074 1.00 2.51 C ATOM 555 CD ARG A 34 13.015 6.834 0.585 1.00 3.05 C ATOM 556 NE ARG A 34 13.078 6.901 2.044 1.00 3.66 N ATOM 557 CZ ARG A 34 13.442 5.884 2.819 1.00 4.29 C ATOM 558 NH1 ARG A 34 14.213 4.930 2.315 1.00 4.48 N ATOM 559 NH2 ARG A 34 13.383 6.032 4.129 1.00 5.12 N ATOM 0 H ARG A 34 10.069 2.941 0.904 1.00 1.04 H new ATOM 0 HA ARG A 34 8.980 5.581 0.338 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.997 5.280 1.702 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.783 4.418 0.395 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.620 6.490 -1.015 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.936 7.337 0.358 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.703 6.067 0.230 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.351 7.782 0.166 1.00 3.05 H new ATOM 0 HE ARG A 34 12.828 7.781 2.495 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.520 4.982 1.344 1.00 4.48 H new ATOM 0 HH12 ARG A 34 14.500 4.144 2.899 1.00 4.48 H new ATOM 0 HH21 ARG A 34 13.063 6.914 4.529 1.00 5.12 H new ATOM 0 HH22 ARG A 34 13.658 5.264 4.742 1.00 5.12 H new ATOM 573 N ASN A 35 9.206 5.695 -2.163 1.00 0.98 N ATOM 574 CA ASN A 35 9.196 5.735 -3.635 1.00 1.38 C ATOM 575 C ASN A 35 8.069 4.894 -4.247 1.00 1.09 C ATOM 576 O ASN A 35 7.666 5.138 -5.388 1.00 1.24 O ATOM 577 CB ASN A 35 10.572 5.304 -4.193 1.00 2.08 C ATOM 578 CG ASN A 35 10.669 5.355 -5.702 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.153 4.488 -6.406 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.364 6.358 -6.206 1.00 3.64 N ATOM 0 H ASN A 35 8.757 6.501 -1.728 1.00 0.98 H new ATOM 0 HA ASN A 35 9.000 6.767 -3.925 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.342 5.947 -3.768 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.785 4.288 -3.860 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.490 6.435 -7.215 1.00 3.64 H new ATOM 0 HD22 ASN A 35 11.775 7.056 -5.586 1.00 3.64 H new ATOM 587 N LYS A 36 7.505 3.947 -3.497 1.00 0.89 N ATOM 588 CA LYS A 36 6.403 3.155 -4.033 1.00 0.69 C ATOM 589 C LYS A 36 5.676 2.315 -2.993 1.00 0.66 C ATOM 590 O LYS A 36 6.142 2.100 -1.874 1.00 0.77 O ATOM 591 CB LYS A 36 6.878 2.224 -5.151 1.00 0.80 C ATOM 592 CG LYS A 36 7.842 1.143 -4.710 1.00 1.05 C ATOM 593 CD LYS A 36 7.656 -0.102 -5.560 1.00 1.32 C ATOM 594 CE LYS A 36 8.874 -1.002 -5.524 1.00 1.84 C ATOM 595 NZ LYS A 36 8.696 -2.176 -6.413 1.00 2.23 N ATOM 0 H LYS A 36 7.784 3.715 -2.544 1.00 0.89 H new ATOM 0 HA LYS A 36 5.699 3.894 -4.416 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.007 1.751 -5.606 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.356 2.824 -5.926 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.867 1.502 -4.797 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.676 0.904 -3.660 1.00 1.05 H new ATOM 0 HD2 LYS A 36 6.786 -0.655 -5.207 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.451 0.190 -6.590 1.00 1.32 H new ATOM 0 HE2 LYS A 36 9.755 -0.439 -5.832 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.051 -1.339 -4.503 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 9.624 -2.594 -6.625 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.098 -2.883 -5.939 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.241 -1.875 -7.298 1.00 2.23 H new ATOM 609 N ILE A 37 4.531 1.821 -3.434 1.00 0.61 N ATOM 610 CA ILE A 37 3.661 0.958 -2.665 1.00 0.60 C ATOM 611 C ILE A 37 3.617 -0.407 -3.370 1.00 0.54 C ATOM 612 O ILE A 37 3.262 -0.476 -4.549 1.00 0.75 O ATOM 613 CB ILE A 37 2.218 1.522 -2.641 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.146 2.834 -1.846 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.244 0.492 -2.091 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.790 3.504 -1.894 1.00 1.01 C ATOM 0 H ILE A 37 4.173 2.018 -4.369 1.00 0.61 H new ATOM 0 HA ILE A 37 4.036 0.882 -1.644 1.00 0.60 H new ATOM 0 HB ILE A 37 1.928 1.744 -3.668 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.405 2.633 -0.806 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.896 3.524 -2.233 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.238 0.910 -2.084 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.262 -0.398 -2.720 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.533 0.224 -1.075 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.818 4.424 -1.310 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.536 3.738 -2.928 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.038 2.833 -1.479 1.00 1.01 H new ATOM 628 N MET A 38 3.934 -1.485 -2.672 1.00 0.51 N ATOM 629 CA MET A 38 3.856 -2.806 -3.277 1.00 0.59 C ATOM 630 C MET A 38 2.447 -3.315 -3.097 1.00 0.60 C ATOM 631 O MET A 38 1.879 -3.218 -2.007 1.00 0.98 O ATOM 632 CB MET A 38 4.876 -3.775 -2.687 1.00 0.75 C ATOM 633 CG MET A 38 6.298 -3.507 -3.137 1.00 1.40 C ATOM 634 SD MET A 38 6.519 -3.708 -4.918 1.00 1.72 S ATOM 635 CE MET A 38 6.104 -5.442 -5.140 1.00 2.53 C ATOM 0 H MET A 38 4.243 -1.474 -1.700 1.00 0.51 H new ATOM 0 HA MET A 38 4.099 -2.732 -4.337 1.00 0.59 H new ATOM 0 HB2 MET A 38 4.831 -3.719 -1.599 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.601 -4.792 -2.965 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.579 -2.493 -2.853 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.973 -4.183 -2.613 1.00 1.40 H new ATOM 0 HE1 MET A 38 6.508 -5.794 -6.089 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.532 -6.026 -4.325 1.00 2.53 H new ATOM 0 HE3 MET A 38 5.020 -5.560 -5.141 1.00 2.53 H new ATOM 645 N PHE A 39 1.848 -3.764 -4.185 1.00 0.61 N ATOM 646 CA PHE A 39 0.462 -4.173 -4.150 1.00 0.71 C ATOM 647 C PHE A 39 0.173 -5.463 -4.893 1.00 0.72 C ATOM 648 O PHE A 39 -0.367 -5.442 -5.997 1.00 1.08 O ATOM 649 CB PHE A 39 -0.345 -3.060 -4.776 1.00 1.11 C ATOM 650 CG PHE A 39 -1.595 -2.759 -4.044 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.537 -2.405 -2.714 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.822 -2.826 -4.676 1.00 1.32 C ATOM 653 CE1 PHE A 39 -2.684 -2.122 -2.019 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.976 -2.543 -3.985 1.00 1.66 C ATOM 655 CZ PHE A 39 -3.908 -2.192 -2.652 1.00 1.57 C ATOM 0 H PHE A 39 2.298 -3.853 -5.096 1.00 0.61 H new ATOM 0 HA PHE A 39 0.200 -4.363 -3.109 1.00 0.71 H new ATOM 0 HB2 PHE A 39 0.267 -2.159 -4.822 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.590 -3.332 -5.803 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.581 -2.350 -2.215 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -2.875 -3.102 -5.719 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -2.630 -1.844 -0.977 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.933 -2.595 -4.483 1.00 1.66 H new ATOM 0 HZ PHE A 39 -4.813 -1.972 -2.104 1.00 1.57 H new ATOM 665 N THR A 40 0.461 -6.580 -4.271 1.00 0.63 N ATOM 666 CA THR A 40 0.150 -7.860 -4.876 1.00 0.74 C ATOM 667 C THR A 40 -1.353 -8.091 -4.731 1.00 0.84 C ATOM 668 O THR A 40 -1.900 -8.125 -3.624 1.00 1.16 O ATOM 669 CB THR A 40 0.991 -8.990 -4.267 1.00 0.98 C ATOM 670 OG1 THR A 40 0.635 -10.250 -4.800 1.00 1.45 O ATOM 671 CG2 THR A 40 0.900 -9.097 -2.764 1.00 1.35 C ATOM 0 H THR A 40 0.906 -6.634 -3.355 1.00 0.63 H new ATOM 0 HA THR A 40 0.408 -7.855 -5.935 1.00 0.74 H new ATOM 0 HB THR A 40 2.014 -8.721 -4.531 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.191 -10.947 -4.392 1.00 1.45 H new ATOM 0 HG21 THR A 40 1.525 -9.921 -2.419 1.00 1.35 H new ATOM 0 HG22 THR A 40 1.244 -8.167 -2.312 1.00 1.35 H new ATOM 0 HG23 THR A 40 -0.135 -9.281 -2.474 1.00 1.35 H new ATOM 679 N GLU A 41 -2.019 -8.160 -5.861 1.00 1.04 N ATOM 680 CA GLU A 41 -3.465 -8.300 -5.903 1.00 1.27 C ATOM 681 C GLU A 41 -3.902 -9.769 -5.903 1.00 1.20 C ATOM 682 O GLU A 41 -4.371 -10.310 -6.908 1.00 1.66 O ATOM 683 CB GLU A 41 -4.038 -7.499 -7.096 1.00 1.89 C ATOM 684 CG GLU A 41 -3.735 -8.037 -8.503 1.00 2.55 C ATOM 685 CD GLU A 41 -2.260 -8.250 -8.796 1.00 3.05 C ATOM 686 OE1 GLU A 41 -1.431 -7.386 -8.430 1.00 3.56 O ATOM 687 OE2 GLU A 41 -1.928 -9.261 -9.446 1.00 3.46 O ATOM 0 H GLU A 41 -1.578 -8.121 -6.780 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.883 -7.876 -4.990 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -5.120 -7.444 -6.979 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.659 -6.479 -7.034 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.258 -8.984 -8.636 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.141 -7.342 -9.238 1.00 2.55 H new ATOM 694 N GLN A 42 -3.754 -10.403 -4.745 1.00 1.08 N ATOM 695 CA GLN A 42 -4.137 -11.798 -4.578 1.00 1.24 C ATOM 696 C GLN A 42 -5.635 -11.890 -4.318 1.00 1.37 C ATOM 697 O GLN A 42 -6.347 -10.889 -4.358 1.00 1.84 O ATOM 698 CB GLN A 42 -3.361 -12.441 -3.416 1.00 1.58 C ATOM 699 CG GLN A 42 -1.850 -12.362 -3.566 1.00 2.34 C ATOM 700 CD GLN A 42 -1.091 -12.897 -2.359 1.00 2.87 C ATOM 701 OE1 GLN A 42 0.132 -12.785 -2.286 1.00 3.26 O ATOM 702 NE2 GLN A 42 -1.802 -13.499 -1.414 1.00 3.46 N ATOM 0 H GLN A 42 -3.370 -9.970 -3.905 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.894 -12.339 -5.493 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.650 -11.953 -2.485 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.654 -13.488 -3.332 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.551 -12.923 -4.451 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.563 -11.324 -3.735 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -2.815 -13.574 -1.508 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -1.336 -13.887 -0.594 1.00 3.46 H new ATOM 711 N ASP A 43 -6.108 -13.089 -4.033 1.00 1.32 N ATOM 712 CA ASP A 43 -7.516 -13.305 -3.749 1.00 1.60 C ATOM 713 C ASP A 43 -7.628 -13.987 -2.395 1.00 1.62 C ATOM 714 O ASP A 43 -6.763 -14.787 -2.046 1.00 1.97 O ATOM 715 CB ASP A 43 -8.130 -14.167 -4.849 1.00 2.08 C ATOM 716 CG ASP A 43 -9.616 -13.939 -5.006 1.00 2.50 C ATOM 717 OD1 ASP A 43 -10.374 -14.191 -4.047 1.00 2.96 O ATOM 718 OD2 ASP A 43 -10.035 -13.499 -6.093 1.00 2.87 O ATOM 0 H ASP A 43 -5.535 -13.932 -3.992 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.056 -12.359 -3.721 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.632 -13.952 -5.794 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.949 -15.218 -4.625 1.00 2.08 H new ATOM 723 N ALA A 44 -8.658 -13.653 -1.624 1.00 1.87 N ATOM 724 CA ALA A 44 -8.836 -14.228 -0.297 1.00 2.28 C ATOM 725 C ALA A 44 -8.946 -15.743 -0.352 1.00 2.75 C ATOM 726 O ALA A 44 -10.018 -16.291 -0.602 1.00 3.39 O ATOM 727 CB ALA A 44 -10.065 -13.657 0.378 1.00 2.82 C ATOM 0 H ALA A 44 -9.381 -12.987 -1.896 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.952 -13.967 0.284 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -10.177 -14.102 1.367 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -9.958 -12.577 0.476 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -10.947 -13.881 -0.222 1.00 2.82 H new ATOM 861 N TYR A 54 2.082 -8.486 -9.684 1.00 2.10 N ATOM 862 CA TYR A 54 2.404 -7.728 -8.482 1.00 2.00 C ATOM 863 C TYR A 54 2.261 -6.249 -8.800 1.00 1.62 C ATOM 864 O TYR A 54 3.225 -5.602 -9.217 1.00 1.96 O ATOM 865 CB TYR A 54 3.827 -8.030 -7.970 1.00 2.78 C ATOM 866 CG TYR A 54 4.074 -9.488 -7.620 1.00 3.45 C ATOM 867 CD1 TYR A 54 4.363 -10.436 -8.599 1.00 3.89 C ATOM 868 CD2 TYR A 54 4.013 -9.912 -6.300 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.581 -11.762 -8.266 1.00 4.87 C ATOM 870 CE2 TYR A 54 4.230 -11.232 -5.960 1.00 5.15 C ATOM 871 CZ TYR A 54 4.517 -12.155 -6.944 1.00 5.40 C ATOM 872 OH TYR A 54 4.742 -13.472 -6.603 1.00 6.50 O ATOM 0 HA TYR A 54 1.717 -8.019 -7.688 1.00 2.00 H new ATOM 0 HB2 TYR A 54 4.546 -7.725 -8.731 1.00 2.78 H new ATOM 0 HB3 TYR A 54 4.019 -7.420 -7.087 1.00 2.78 H new ATOM 0 HD1 TYR A 54 4.418 -10.132 -9.634 1.00 3.89 H new ATOM 0 HD2 TYR A 54 3.791 -9.195 -5.523 1.00 4.24 H new ATOM 0 HE1 TYR A 54 4.800 -12.486 -9.037 1.00 4.87 H new ATOM 0 HE2 TYR A 54 4.175 -11.541 -4.927 1.00 5.15 H new ATOM 0 HH TYR A 54 4.660 -13.577 -5.632 1.00 6.50 H new ATOM 882 N SER A 55 1.042 -5.737 -8.646 1.00 1.34 N ATOM 883 CA SER A 55 0.746 -4.337 -8.946 1.00 1.50 C ATOM 884 C SER A 55 1.727 -3.397 -8.251 1.00 1.20 C ATOM 885 O SER A 55 1.809 -3.351 -7.022 1.00 1.33 O ATOM 886 CB SER A 55 -0.698 -3.994 -8.546 1.00 2.13 C ATOM 887 OG SER A 55 -1.628 -4.866 -9.174 1.00 2.61 O ATOM 0 H SER A 55 0.240 -6.273 -8.314 1.00 1.34 H new ATOM 0 HA SER A 55 0.856 -4.199 -10.022 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.804 -4.064 -7.463 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.919 -2.963 -8.822 1.00 2.13 H new ATOM 0 HG SER A 55 -1.779 -5.649 -8.604 1.00 2.61 H new ATOM 893 N SER A 56 2.466 -2.643 -9.047 1.00 1.07 N ATOM 894 CA SER A 56 3.424 -1.690 -8.518 1.00 0.91 C ATOM 895 C SER A 56 2.865 -0.282 -8.652 1.00 0.80 C ATOM 896 O SER A 56 2.731 0.255 -9.756 1.00 0.93 O ATOM 897 CB SER A 56 4.779 -1.810 -9.221 1.00 1.09 C ATOM 898 OG SER A 56 5.282 -3.127 -9.109 1.00 1.73 O ATOM 0 H SER A 56 2.420 -2.673 -10.065 1.00 1.07 H new ATOM 0 HA SER A 56 3.589 -1.911 -7.463 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.674 -1.543 -10.273 1.00 1.09 H new ATOM 0 HB3 SER A 56 5.486 -1.106 -8.782 1.00 1.09 H new ATOM 0 HG SER A 56 6.147 -3.187 -9.565 1.00 1.73 H new ATOM 904 N ILE A 57 2.529 0.296 -7.516 1.00 0.68 N ATOM 905 CA ILE A 57 1.972 1.635 -7.465 1.00 0.67 C ATOM 906 C ILE A 57 3.005 2.590 -6.885 1.00 0.63 C ATOM 907 O ILE A 57 3.414 2.446 -5.737 1.00 0.81 O ATOM 908 CB ILE A 57 0.659 1.661 -6.625 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.514 1.123 -7.454 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.338 3.052 -6.086 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.878 1.529 -6.923 1.00 0.81 C ATOM 0 H ILE A 57 2.634 -0.147 -6.603 1.00 0.68 H new ATOM 0 HA ILE A 57 1.720 1.953 -8.477 1.00 0.67 H new ATOM 0 HB ILE A 57 0.817 1.014 -5.762 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.414 1.477 -8.480 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.456 0.035 -7.485 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.586 3.014 -5.509 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.152 3.391 -5.446 1.00 0.82 H new ATOM 0 HG23 ILE A 57 0.218 3.746 -6.918 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.656 1.111 -7.562 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.000 1.152 -5.908 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.958 2.616 -6.918 1.00 0.81 H new ATOM 923 N ARG A 58 3.448 3.549 -7.686 1.00 0.66 N ATOM 924 CA ARG A 58 4.451 4.501 -7.221 1.00 0.73 C ATOM 925 C ARG A 58 3.800 5.555 -6.337 1.00 0.75 C ATOM 926 O ARG A 58 2.733 6.080 -6.663 1.00 0.91 O ATOM 927 CB ARG A 58 5.194 5.195 -8.381 1.00 0.96 C ATOM 928 CG ARG A 58 4.383 6.262 -9.107 1.00 1.24 C ATOM 929 CD ARG A 58 3.336 5.664 -10.032 1.00 1.86 C ATOM 930 NE ARG A 58 3.935 5.091 -11.236 1.00 2.47 N ATOM 931 CZ ARG A 58 3.241 4.543 -12.234 1.00 2.95 C ATOM 932 NH1 ARG A 58 1.914 4.515 -12.200 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.885 4.027 -13.273 1.00 3.70 N ATOM 0 H ARG A 58 3.136 3.689 -8.647 1.00 0.66 H new ATOM 0 HA ARG A 58 5.187 3.932 -6.652 1.00 0.73 H new ATOM 0 HB2 ARG A 58 6.103 5.652 -7.991 1.00 0.96 H new ATOM 0 HB3 ARG A 58 5.502 4.438 -9.102 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.893 6.903 -8.374 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.056 6.895 -9.685 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.781 4.892 -9.500 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.619 6.435 -10.315 1.00 1.86 H new ATOM 0 HE ARG A 58 4.951 5.112 -11.318 1.00 2.47 H new ATOM 0 HH11 ARG A 58 1.416 4.915 -11.405 1.00 3.22 H new ATOM 0 HH12 ARG A 58 1.393 4.093 -12.969 1.00 3.22 H new ATOM 0 HH21 ARG A 58 4.904 4.051 -13.305 1.00 3.70 H new ATOM 0 HH22 ARG A 58 3.361 3.606 -14.040 1.00 3.70 H new ATOM 947 N LEU A 59 4.440 5.856 -5.223 1.00 0.85 N ATOM 948 CA LEU A 59 3.950 6.845 -4.289 1.00 1.02 C ATOM 949 C LEU A 59 4.003 8.214 -4.948 1.00 1.15 C ATOM 950 O LEU A 59 3.018 8.952 -4.961 1.00 1.59 O ATOM 951 CB LEU A 59 4.845 6.809 -3.052 1.00 1.28 C ATOM 952 CG LEU A 59 4.211 7.265 -1.740 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.032 6.374 -1.383 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.248 7.242 -0.625 1.00 1.79 C ATOM 0 H LEU A 59 5.317 5.418 -4.942 1.00 0.85 H new ATOM 0 HA LEU A 59 2.920 6.638 -4.000 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.205 5.789 -2.921 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.718 7.433 -3.244 1.00 1.28 H new ATOM 0 HG LEU A 59 3.847 8.285 -1.862 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.591 6.712 -0.445 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.285 6.425 -2.175 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.374 5.345 -1.273 1.00 1.35 H new ATOM 0 HD21 LEU A 59 4.787 7.569 0.307 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.631 6.228 -0.505 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.069 7.912 -0.878 1.00 1.79 H new ATOM 966 N ASP A 60 5.201 8.522 -5.451 1.00 1.13 N ATOM 967 CA ASP A 60 5.528 9.790 -6.116 1.00 1.33 C ATOM 968 C ASP A 60 4.308 10.514 -6.686 1.00 1.33 C ATOM 969 O ASP A 60 4.000 11.631 -6.275 1.00 1.56 O ATOM 970 CB ASP A 60 6.526 9.557 -7.253 1.00 1.46 C ATOM 971 CG ASP A 60 7.896 9.096 -6.793 1.00 1.90 C ATOM 972 OD1 ASP A 60 8.119 8.964 -5.572 1.00 2.27 O ATOM 973 OD2 ASP A 60 8.760 8.869 -7.666 1.00 2.52 O ATOM 0 H ASP A 60 5.993 7.881 -5.407 1.00 1.13 H new ATOM 0 HA ASP A 60 5.959 10.424 -5.341 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.115 8.813 -7.935 1.00 1.46 H new ATOM 0 HB3 ASP A 60 6.637 10.482 -7.819 1.00 1.46 H new ATOM 978 N LYS A 61 3.623 9.890 -7.640 1.00 1.22 N ATOM 979 CA LYS A 61 2.457 10.514 -8.257 1.00 1.28 C ATOM 980 C LYS A 61 1.252 9.573 -8.352 1.00 1.06 C ATOM 981 O LYS A 61 1.124 8.815 -9.306 1.00 1.27 O ATOM 982 CB LYS A 61 2.797 11.036 -9.665 1.00 1.60 C ATOM 983 CG LYS A 61 3.168 12.518 -9.724 1.00 1.93 C ATOM 984 CD LYS A 61 4.507 12.795 -9.063 1.00 2.55 C ATOM 985 CE LYS A 61 4.750 14.278 -8.855 1.00 3.16 C ATOM 986 NZ LYS A 61 6.063 14.525 -8.196 1.00 3.92 N ATOM 0 H LYS A 61 3.852 8.963 -7.999 1.00 1.22 H new ATOM 0 HA LYS A 61 2.182 11.343 -7.604 1.00 1.28 H new ATOM 0 HB2 LYS A 61 3.626 10.452 -10.064 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.942 10.863 -10.318 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.203 12.842 -10.764 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.393 13.106 -9.233 1.00 1.93 H new ATOM 0 HD2 LYS A 61 4.548 12.284 -8.101 1.00 2.55 H new ATOM 0 HD3 LYS A 61 5.306 12.381 -9.678 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.721 14.792 -9.816 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.950 14.698 -8.245 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 6.200 15.548 -8.068 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 6.080 14.054 -7.269 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 6.827 14.145 -8.791 1.00 3.92 H new ATOM 1000 N TYR A 62 0.348 9.669 -7.388 1.00 0.83 N ATOM 1001 CA TYR A 62 -0.888 8.896 -7.391 1.00 0.69 C ATOM 1002 C TYR A 62 -1.944 9.713 -6.645 1.00 0.67 C ATOM 1003 O TYR A 62 -1.599 10.514 -5.778 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.703 7.492 -6.786 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.728 7.427 -5.276 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -1.918 7.241 -4.579 1.00 1.49 C ATOM 1007 CD2 TYR A 62 0.443 7.531 -4.549 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -1.932 7.165 -3.198 1.00 1.84 C ATOM 1009 CE2 TYR A 62 0.439 7.462 -3.174 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.748 7.276 -2.504 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.747 7.185 -1.130 1.00 2.21 O ATOM 0 H TYR A 62 0.450 10.285 -6.581 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.211 8.718 -8.417 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.487 6.842 -7.174 1.00 0.70 H new ATOM 0 HB3 TYR A 62 0.247 7.087 -7.134 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -2.846 7.155 -5.125 1.00 1.49 H new ATOM 0 HD2 TYR A 62 1.379 7.669 -5.070 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.862 7.020 -2.669 1.00 1.84 H new ATOM 0 HE2 TYR A 62 1.364 7.554 -2.624 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.691 8.083 -0.743 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.217 9.533 -6.966 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.279 10.274 -6.294 1.00 0.73 C ATOM 1023 C ASN A 63 -4.886 9.389 -5.226 1.00 0.64 C ATOM 1024 O ASN A 63 -5.053 8.194 -5.431 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.359 10.740 -7.282 1.00 0.89 C ATOM 1026 CG ASN A 63 -4.887 11.797 -8.281 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -5.637 12.176 -9.181 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -3.662 12.297 -8.134 1.00 2.13 N ATOM 0 H ASN A 63 -3.540 8.884 -7.684 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.852 11.169 -5.842 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.727 9.875 -7.834 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.201 11.141 -6.718 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -3.323 13.013 -8.776 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -3.062 11.964 -7.379 1.00 2.13 H new ATOM 1035 N ILE A 64 -5.162 9.955 -4.073 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.696 9.170 -2.978 1.00 0.70 C ATOM 1037 C ILE A 64 -6.643 9.985 -2.082 1.00 0.79 C ATOM 1038 O ILE A 64 -6.432 11.174 -1.849 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.517 8.570 -2.170 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.965 7.420 -1.269 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.791 9.639 -1.364 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -5.568 7.849 0.045 1.00 1.18 C ATOM 0 H ILE A 64 -5.028 10.945 -3.868 1.00 0.74 H new ATOM 0 HA ILE A 64 -6.301 8.362 -3.389 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.815 8.161 -2.897 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.695 6.816 -1.809 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.107 6.778 -1.068 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.971 9.183 -0.810 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.395 10.398 -2.039 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.487 10.103 -0.665 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -5.856 6.968 0.618 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -4.836 8.426 0.610 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -6.448 8.464 -0.142 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.683 9.307 -1.583 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.689 9.892 -0.691 1.00 0.80 C ATOM 1056 C ARG A 65 -9.139 8.836 0.321 1.00 0.68 C ATOM 1057 O ARG A 65 -9.361 7.683 -0.030 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.914 10.374 -1.472 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.630 11.436 -2.525 1.00 1.24 C ATOM 1060 CD ARG A 65 -9.180 12.755 -1.906 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.813 13.747 -2.921 1.00 2.20 N ATOM 1062 CZ ARG A 65 -9.649 14.244 -3.832 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -10.954 14.037 -3.741 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -9.193 15.090 -4.738 1.00 3.57 N ATOM 0 H ARG A 65 -7.851 8.323 -1.791 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.238 10.747 -0.186 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.376 9.515 -1.959 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.643 10.770 -0.766 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.859 11.074 -3.205 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -10.527 11.604 -3.121 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -9.981 13.154 -1.283 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.327 12.575 -1.252 1.00 1.78 H new ATOM 0 HE ARG A 65 -7.849 14.081 -2.931 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -11.331 13.491 -2.966 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -11.582 14.424 -4.446 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -8.209 15.358 -4.736 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -9.825 15.476 -5.439 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.296 9.227 1.568 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.741 8.305 2.609 1.00 0.83 C ATOM 1080 C GLN A 66 -11.181 8.631 2.982 1.00 0.99 C ATOM 1081 O GLN A 66 -11.551 9.800 3.074 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.802 8.354 3.830 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.628 9.742 4.420 1.00 1.30 C ATOM 1084 CD GLN A 66 -9.498 9.993 5.640 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -9.610 11.127 6.106 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -10.097 8.942 6.186 1.00 2.45 N ATOM 0 H GLN A 66 -9.123 10.178 1.893 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.704 7.283 2.231 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.191 7.689 4.601 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.825 7.969 3.539 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -7.582 9.884 4.693 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.862 10.485 3.657 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -9.981 8.017 5.772 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -10.673 9.059 7.020 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.001 7.602 3.133 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.419 7.797 3.431 1.00 1.14 C ATOM 1097 C HIS A 67 -13.884 7.005 4.635 1.00 1.30 C ATOM 1098 O HIS A 67 -13.129 6.224 5.217 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.276 7.371 2.245 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.102 8.220 1.028 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.427 9.557 0.999 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.620 7.929 -0.198 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.155 10.048 -0.192 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.663 9.079 -0.940 1.00 1.61 N ATOM 0 H HIS A 67 -11.714 6.626 3.055 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.533 8.860 3.643 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.038 6.338 1.991 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.324 7.392 2.542 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.265 6.965 -0.533 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.309 11.071 -0.504 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.364 9.171 -1.911 1.00 1.61 H new ATOM 1113 N THR A 68 -15.176 7.196 4.928 1.00 1.74 N ATOM 1114 CA THR A 68 -15.897 6.514 6.002 1.00 2.04 C ATOM 1115 C THR A 68 -15.437 6.883 7.408 1.00 1.92 C ATOM 1116 O THR A 68 -14.270 6.725 7.767 1.00 2.16 O ATOM 1117 CB THR A 68 -15.821 5.002 5.803 1.00 2.74 C ATOM 1118 OG1 THR A 68 -16.236 4.668 4.496 1.00 3.12 O ATOM 1119 CG2 THR A 68 -16.692 4.221 6.760 1.00 3.23 C ATOM 0 H THR A 68 -15.763 7.848 4.408 1.00 1.74 H new ATOM 0 HA THR A 68 -16.929 6.858 5.932 1.00 2.04 H new ATOM 0 HB THR A 68 -14.781 4.734 5.987 1.00 2.74 H new ATOM 0 HG1 THR A 68 -16.183 3.697 4.374 1.00 3.12 H new ATOM 0 HG21 THR A 68 -16.587 3.155 6.560 1.00 3.23 H new ATOM 0 HG22 THR A 68 -16.385 4.430 7.785 1.00 3.23 H new ATOM 0 HG23 THR A 68 -17.733 4.514 6.626 1.00 3.23 H new ATOM 1127 N THR A 69 -16.395 7.299 8.232 1.00 2.34 N ATOM 1128 CA THR A 69 -16.136 7.607 9.620 1.00 2.58 C ATOM 1129 C THR A 69 -16.657 6.438 10.440 1.00 2.35 C ATOM 1130 O THR A 69 -17.826 6.404 10.832 1.00 2.76 O ATOM 1131 CB THR A 69 -16.813 8.923 10.013 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.337 9.978 9.200 1.00 3.61 O ATOM 1133 CG2 THR A 69 -16.601 9.318 11.463 1.00 3.69 C ATOM 0 H THR A 69 -17.367 7.429 7.950 1.00 2.34 H new ATOM 0 HA THR A 69 -15.070 7.743 9.802 1.00 2.58 H new ATOM 0 HB THR A 69 -17.880 8.753 9.869 1.00 3.11 H new ATOM 0 HG1 THR A 69 -16.777 10.814 9.458 1.00 3.61 H new ATOM 0 HG21 THR A 69 -17.111 10.260 11.662 1.00 3.69 H new ATOM 0 HG22 THR A 69 -17.004 8.542 12.114 1.00 3.69 H new ATOM 0 HG23 THR A 69 -15.535 9.435 11.656 1.00 3.69 H new ATOM 1141 N ASP A 70 -15.755 5.496 10.673 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.001 4.260 11.417 1.00 2.43 C ATOM 1143 C ASP A 70 -14.967 3.252 10.952 1.00 2.17 C ATOM 1144 O ASP A 70 -14.033 2.911 11.674 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.406 3.701 11.156 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.874 2.766 12.252 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.298 1.672 12.403 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -18.820 3.135 12.980 1.00 3.96 O ATOM 0 H ASP A 70 -14.794 5.570 10.338 1.00 2.34 H new ATOM 0 HA ASP A 70 -15.929 4.460 12.486 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.110 4.528 11.063 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.411 3.170 10.204 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.121 2.834 9.701 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.192 1.917 9.067 1.00 2.00 C ATOM 1155 C GLU A 71 -13.395 2.691 8.042 1.00 1.55 C ATOM 1156 O GLU A 71 -13.795 2.797 6.882 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.900 0.810 8.332 1.00 2.69 C ATOM 1158 CG GLU A 71 -16.100 0.228 9.042 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.821 -0.778 8.172 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.409 -0.969 7.005 1.00 4.50 O ATOM 1161 OE2 GLU A 71 -17.802 -1.383 8.641 1.00 4.40 O ATOM 0 H GLU A 71 -15.894 3.123 9.101 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.568 1.480 9.847 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.221 1.188 7.361 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -14.187 0.008 8.142 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.780 -0.252 9.967 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -16.785 1.029 9.319 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.299 3.225 8.480 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.421 4.025 7.634 1.00 1.10 C ATOM 1170 C ASP A 72 -11.018 3.261 6.382 1.00 0.90 C ATOM 1171 O ASP A 72 -10.342 2.232 6.467 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.167 4.436 8.411 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.479 5.254 9.648 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.277 4.788 10.489 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -9.912 6.356 9.806 1.00 2.64 O ATOM 0 H ASP A 72 -11.971 3.127 9.441 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.970 4.917 7.333 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.617 3.541 8.703 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.513 5.012 7.756 1.00 1.58 H new ATOM 1180 N THR A 73 -11.418 3.761 5.219 1.00 0.74 N ATOM 1181 CA THR A 73 -11.076 3.126 3.966 1.00 0.65 C ATOM 1182 C THR A 73 -10.155 4.051 3.192 1.00 0.60 C ATOM 1183 O THR A 73 -10.225 5.272 3.361 1.00 0.79 O ATOM 1184 CB THR A 73 -12.352 2.871 3.177 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.291 2.192 3.987 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.154 2.067 1.913 1.00 0.94 C ATOM 0 H THR A 73 -11.981 4.607 5.125 1.00 0.74 H new ATOM 0 HA THR A 73 -10.571 2.176 4.141 1.00 0.65 H new ATOM 0 HB THR A 73 -12.708 3.857 2.879 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.111 2.032 3.474 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.113 1.932 1.413 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.470 2.596 1.249 1.00 0.94 H new ATOM 0 HG23 THR A 73 -11.735 1.092 2.164 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.317 3.505 2.326 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.421 4.315 1.525 1.00 0.52 C ATOM 1196 C ILE A 74 -8.743 4.093 0.051 1.00 0.50 C ATOM 1197 O ILE A 74 -8.590 2.987 -0.473 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.943 3.944 1.811 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.500 4.499 3.172 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.009 4.418 0.703 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.399 6.014 3.232 1.00 0.99 C ATOM 0 H ILE A 74 -9.240 2.501 2.161 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.559 5.366 1.780 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.881 2.856 1.840 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.204 4.164 3.933 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.530 4.072 3.426 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.984 4.136 0.946 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.299 3.955 -0.240 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.075 5.502 0.610 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.080 6.318 4.229 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.672 6.360 2.497 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.373 6.453 3.013 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.207 5.133 -0.605 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.561 5.051 -2.006 1.00 0.45 C ATOM 1215 C VAL A 75 -8.566 5.827 -2.847 1.00 0.46 C ATOM 1216 O VAL A 75 -8.405 7.031 -2.674 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.986 5.586 -2.260 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.200 5.929 -3.728 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -12.022 4.594 -1.778 1.00 0.61 C ATOM 0 H VAL A 75 -9.349 6.053 -0.187 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.535 3.999 -2.292 1.00 0.45 H new ATOM 0 HB VAL A 75 -11.102 6.507 -1.690 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.214 6.303 -3.870 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.485 6.694 -4.031 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -11.054 5.036 -4.335 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -13.020 4.990 -1.966 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.899 3.651 -2.311 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.894 4.425 -0.709 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.906 5.147 -3.757 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.944 5.801 -4.623 1.00 0.58 C ATOM 1231 C LEU A 76 -7.590 6.130 -5.962 1.00 0.59 C ATOM 1232 O LEU A 76 -8.339 5.328 -6.510 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.696 4.937 -4.863 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.764 4.723 -3.668 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.432 3.876 -2.603 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.469 4.072 -4.134 1.00 1.04 C ATOM 0 H LEU A 76 -8.015 4.146 -3.918 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.628 6.715 -4.120 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.023 3.960 -5.218 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.118 5.392 -5.668 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.536 5.694 -3.227 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.748 3.739 -1.765 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.337 4.375 -2.255 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.692 2.904 -3.022 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.809 3.922 -3.279 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.691 3.109 -4.595 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.978 4.718 -4.862 1.00 1.04 H new ATOM 1248 N GLN A 77 -7.286 7.297 -6.485 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.816 7.719 -7.766 1.00 0.74 C ATOM 1250 C GLN A 77 -6.705 7.704 -8.806 1.00 0.78 C ATOM 1251 O GLN A 77 -5.532 7.888 -8.477 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.447 9.101 -7.663 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.641 9.133 -6.728 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.510 10.350 -6.937 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.078 11.487 -6.743 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.741 10.111 -7.350 1.00 2.03 N ATOM 0 H GLN A 77 -6.669 7.977 -6.040 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.597 7.024 -8.074 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.698 9.812 -7.314 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.759 9.428 -8.655 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.239 8.234 -6.878 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.290 9.114 -5.696 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -12.052 9.151 -7.496 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.381 10.887 -7.523 1.00 2.03 H new ATOM 1265 N PRO A 78 -7.050 7.437 -10.072 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.072 7.341 -11.154 1.00 0.99 C ATOM 1267 C PRO A 78 -5.513 8.686 -11.643 1.00 1.02 C ATOM 1268 O PRO A 78 -6.234 9.496 -12.225 1.00 1.34 O ATOM 1269 CB PRO A 78 -6.853 6.659 -12.299 1.00 1.43 C ATOM 1270 CG PRO A 78 -8.180 6.264 -11.730 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.411 7.156 -10.547 1.00 1.20 C ATOM 0 HA PRO A 78 -5.192 6.799 -10.808 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -6.979 7.339 -13.142 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -6.315 5.787 -12.670 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -8.972 6.385 -12.469 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -8.179 5.215 -11.432 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.937 8.069 -10.827 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -9.012 6.664 -9.782 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.203 8.890 -11.467 1.00 1.17 N ATOM 1280 CA GLN A 79 -3.550 10.108 -11.963 1.00 1.56 C ATOM 1281 C GLN A 79 -3.085 9.842 -13.391 1.00 1.66 C ATOM 1282 O GLN A 79 -2.394 10.648 -14.023 1.00 2.02 O ATOM 1283 CB GLN A 79 -2.361 10.497 -11.079 1.00 2.04 C ATOM 1284 CG GLN A 79 -1.231 9.481 -11.097 1.00 2.20 C ATOM 1285 CD GLN A 79 -0.009 9.941 -11.886 1.00 2.84 C ATOM 1286 OE1 GLN A 79 0.851 9.133 -12.237 1.00 3.22 O ATOM 1287 NE2 GLN A 79 0.095 11.236 -12.151 1.00 3.46 N ATOM 0 H GLN A 79 -3.580 8.237 -10.991 1.00 1.17 H new ATOM 0 HA GLN A 79 -4.255 10.939 -11.939 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -1.976 11.462 -11.407 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -2.708 10.624 -10.053 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -0.931 9.265 -10.072 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.599 8.548 -11.524 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.635 11.879 -11.846 1.00 3.46 H new ATOM 0 HE22 GLN A 79 0.905 11.589 -12.660 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.514 8.695 -13.871 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.226 8.212 -15.204 1.00 1.81 C ATOM 1298 C GLU A 80 -4.474 7.525 -15.741 1.00 1.62 C ATOM 1299 O GLU A 80 -5.272 7.017 -14.954 1.00 1.78 O ATOM 1300 CB GLU A 80 -2.073 7.198 -15.159 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.755 7.754 -14.660 1.00 3.06 C ATOM 1302 CD GLU A 80 0.308 6.677 -14.540 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.061 5.652 -13.871 1.00 4.42 O ATOM 1304 OE2 GLU A 80 1.396 6.839 -15.121 1.00 4.35 O ATOM 0 H GLU A 80 -4.091 8.053 -13.327 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.939 9.045 -15.845 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -2.365 6.365 -14.519 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.925 6.794 -16.160 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.408 8.531 -15.341 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.905 8.225 -13.689 1.00 3.06 H new ATOM 1311 N PRO A 81 -4.664 7.468 -17.071 1.00 1.93 N ATOM 1312 CA PRO A 81 -5.825 6.791 -17.667 1.00 2.28 C ATOM 1313 C PRO A 81 -5.875 5.319 -17.241 1.00 2.24 C ATOM 1314 O PRO A 81 -6.933 4.687 -17.219 1.00 2.80 O ATOM 1315 CB PRO A 81 -5.580 6.912 -19.176 1.00 2.89 C ATOM 1316 CG PRO A 81 -4.124 7.210 -19.306 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.775 8.025 -18.100 1.00 2.53 C ATOM 0 HA PRO A 81 -6.774 7.227 -17.356 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -5.842 5.989 -19.694 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -6.186 7.706 -19.612 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -3.537 6.292 -19.343 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -3.916 7.759 -20.225 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.725 7.919 -17.829 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -3.957 9.087 -18.262 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.707 4.791 -16.886 1.00 1.99 N ATOM 1326 CA GLY A 82 -4.605 3.424 -16.447 1.00 2.10 C ATOM 1327 C GLY A 82 -3.843 3.284 -15.141 1.00 1.96 C ATOM 1328 O GLY A 82 -2.833 2.577 -15.077 1.00 2.51 O ATOM 0 H GLY A 82 -3.823 5.299 -16.898 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -5.606 3.010 -16.325 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -4.108 2.835 -17.218 1.00 2.10 H new ATOM 1332 N LEU A 83 -4.356 3.902 -14.085 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.781 3.812 -12.750 1.00 1.40 C ATOM 1334 C LEU A 83 -4.871 3.132 -11.936 1.00 1.22 C ATOM 1335 O LEU A 83 -6.004 3.615 -11.917 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.455 5.237 -12.235 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.789 5.411 -10.842 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -3.601 4.771 -9.737 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -1.375 4.869 -10.805 1.00 1.26 C ATOM 0 H LEU A 83 -5.191 4.486 -14.132 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.844 3.257 -12.699 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.804 5.709 -12.970 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.387 5.802 -12.225 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.751 6.487 -10.671 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -3.096 4.918 -8.782 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -4.589 5.229 -9.699 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -3.703 3.704 -9.932 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -0.955 5.015 -9.810 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.387 3.805 -11.041 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -0.764 5.396 -11.538 1.00 1.26 H new ATOM 1351 N PRO A 84 -4.591 1.984 -11.313 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.611 1.246 -10.572 1.00 1.29 C ATOM 1353 C PRO A 84 -6.198 2.012 -9.393 1.00 1.09 C ATOM 1354 O PRO A 84 -5.489 2.460 -8.491 1.00 1.15 O ATOM 1355 CB PRO A 84 -4.899 -0.003 -10.075 1.00 1.58 C ATOM 1356 CG PRO A 84 -3.440 0.294 -10.195 1.00 1.75 C ATOM 1357 CD PRO A 84 -3.298 1.284 -11.321 1.00 1.64 C ATOM 0 HA PRO A 84 -6.464 1.042 -11.220 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -5.171 -0.225 -9.043 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -5.172 -0.874 -10.671 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.050 0.706 -9.264 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -2.875 -0.614 -10.403 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -2.467 1.969 -11.153 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.114 0.788 -12.274 1.00 1.64 H new ATOM 1365 N SER A 85 -7.512 2.092 -9.404 1.00 0.99 N ATOM 1366 CA SER A 85 -8.285 2.728 -8.351 1.00 0.88 C ATOM 1367 C SER A 85 -8.884 1.618 -7.516 1.00 0.63 C ATOM 1368 O SER A 85 -9.281 0.590 -8.072 1.00 0.82 O ATOM 1369 CB SER A 85 -9.387 3.605 -8.945 1.00 1.23 C ATOM 1370 OG SER A 85 -9.895 3.044 -10.152 1.00 1.43 O ATOM 0 H SER A 85 -8.085 1.711 -10.157 1.00 0.99 H new ATOM 0 HA SER A 85 -7.652 3.375 -7.744 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.196 3.716 -8.223 1.00 1.23 H new ATOM 0 HB3 SER A 85 -8.996 4.603 -9.141 1.00 1.23 H new ATOM 0 HG SER A 85 -10.600 3.623 -10.511 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.967 1.783 -6.211 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.533 0.739 -5.385 1.00 0.64 C ATOM 1378 C PHE A 86 -9.950 1.288 -4.021 1.00 0.57 C ATOM 1379 O PHE A 86 -9.994 2.500 -3.807 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.517 -0.413 -5.239 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.272 -0.054 -4.472 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -7.290 -0.051 -3.089 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.096 0.291 -5.125 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -6.173 0.291 -2.365 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.967 0.631 -4.400 1.00 1.36 C ATOM 1386 CZ PHE A 86 -5.009 0.629 -3.017 1.00 0.75 C ATOM 0 H PHE A 86 -8.656 2.614 -5.708 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.431 0.352 -5.866 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.006 -1.251 -4.742 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.230 -0.756 -6.233 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -8.197 -0.322 -2.569 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -6.062 0.294 -6.204 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -6.209 0.295 -1.286 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -4.055 0.897 -4.913 1.00 1.36 H new ATOM 0 HZ PHE A 86 -4.129 0.893 -2.449 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.173 0.364 -3.104 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.505 0.677 -1.723 1.00 0.57 C ATOM 1398 C ARG A 87 -9.878 -0.397 -0.833 1.00 0.57 C ATOM 1399 O ARG A 87 -9.614 -1.508 -1.307 1.00 0.79 O ATOM 1400 CB ARG A 87 -12.028 0.776 -1.529 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.777 -0.525 -1.750 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.859 -0.358 -2.803 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.934 0.530 -2.383 1.00 1.36 N ATOM 1404 CZ ARG A 87 -15.758 1.123 -3.238 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -15.557 0.987 -4.540 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -16.769 1.850 -2.798 1.00 2.41 N ATOM 0 H ARG A 87 -10.129 -0.636 -3.298 1.00 0.60 H new ATOM 0 HA ARG A 87 -10.103 1.652 -1.447 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.230 1.130 -0.518 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -12.421 1.527 -2.214 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.079 -1.302 -2.061 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -13.225 -0.855 -0.813 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.411 0.031 -3.717 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -14.277 -1.335 -3.044 1.00 1.24 H new ATOM 0 HE ARG A 87 -15.060 0.704 -1.386 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.773 0.430 -4.880 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -16.186 1.440 -5.203 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -16.921 1.959 -1.795 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -17.398 2.303 -3.461 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.641 -0.087 0.440 1.00 0.52 N ATOM 1421 CA ILE A 88 -9.046 -1.041 1.374 1.00 0.54 C ATOM 1422 C ILE A 88 -9.649 -0.866 2.760 1.00 0.59 C ATOM 1423 O ILE A 88 -9.779 0.258 3.242 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.510 -0.909 1.458 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -7.087 0.554 1.450 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.839 -1.660 0.317 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.628 0.755 1.783 1.00 0.74 C ATOM 0 H ILE A 88 -9.853 0.822 0.850 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.270 -2.037 0.993 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.189 -1.353 2.400 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.290 0.978 0.467 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.696 1.105 2.167 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.757 -1.553 0.397 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.104 -2.716 0.371 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -7.175 -1.250 -0.636 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -5.393 1.819 1.760 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.424 0.360 2.778 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -5.012 0.231 1.052 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.044 -1.966 3.397 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.662 -1.902 4.711 1.00 0.74 C ATOM 1441 C LYS A 89 -9.949 -2.842 5.684 1.00 0.85 C ATOM 1442 O LYS A 89 -9.441 -3.888 5.274 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.158 -2.259 4.598 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.445 -3.597 3.921 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.625 -4.329 4.561 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.831 -3.427 4.740 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.093 -3.142 6.174 1.00 2.46 N ATOM 0 H LYS A 89 -9.946 -2.909 3.022 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.572 -0.888 5.100 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.591 -2.273 5.598 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.665 -1.470 4.042 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.654 -3.430 2.864 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -11.557 -4.227 3.975 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.901 -5.182 3.941 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.322 -4.724 5.531 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.668 -2.491 4.206 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.708 -3.899 4.296 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.561 -2.218 6.264 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -15.709 -3.882 6.568 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -14.193 -3.127 6.695 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.885 -2.479 6.982 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.206 -3.280 8.023 1.00 1.30 C ATOM 1463 C PRO A 90 -9.954 -4.561 8.400 1.00 1.47 C ATOM 1464 O PRO A 90 -10.076 -4.893 9.579 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.159 -2.330 9.222 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.331 -1.434 9.029 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.453 -1.235 7.543 1.00 1.29 C ATOM 0 HA PRO A 90 -8.232 -3.626 7.677 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.226 -2.875 10.164 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.227 -1.766 9.246 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.237 -1.881 9.440 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -10.185 -0.483 9.540 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.491 -1.095 7.240 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.902 -0.356 7.209 1.00 1.29 H new ATOM 1475 N LYS A 91 -10.451 -5.256 7.393 1.00 1.40 N ATOM 1476 CA LYS A 91 -11.198 -6.493 7.574 1.00 1.72 C ATOM 1477 C LYS A 91 -10.482 -7.462 8.529 1.00 2.02 C ATOM 1478 O LYS A 91 -11.060 -7.891 9.527 1.00 2.48 O ATOM 1479 CB LYS A 91 -11.424 -7.137 6.196 1.00 1.95 C ATOM 1480 CG LYS A 91 -12.278 -8.392 6.215 1.00 2.50 C ATOM 1481 CD LYS A 91 -11.415 -9.627 6.388 1.00 2.94 C ATOM 1482 CE LYS A 91 -12.229 -10.903 6.344 1.00 3.58 C ATOM 1483 NZ LYS A 91 -11.364 -12.100 6.496 1.00 4.13 N ATOM 0 H LYS A 91 -10.348 -4.978 6.417 1.00 1.40 H new ATOM 0 HA LYS A 91 -12.158 -6.262 8.035 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -11.894 -6.404 5.540 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -10.455 -7.380 5.760 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -13.002 -8.332 7.027 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -12.845 -8.466 5.287 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -10.659 -9.653 5.603 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -10.886 -9.568 7.339 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -12.976 -10.888 7.138 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -12.769 -10.960 5.399 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -11.929 -12.892 6.863 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -10.964 -12.359 5.571 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -10.592 -11.888 7.160 1.00 4.13 H new ATOM 1497 N ASP A 92 -9.237 -7.812 8.219 1.00 2.34 N ATOM 1498 CA ASP A 92 -8.480 -8.747 9.053 1.00 2.92 C ATOM 1499 C ASP A 92 -7.613 -8.050 10.093 1.00 2.79 C ATOM 1500 O ASP A 92 -6.402 -8.288 10.150 1.00 3.27 O ATOM 1501 CB ASP A 92 -7.577 -9.630 8.193 1.00 3.81 C ATOM 1502 CG ASP A 92 -8.340 -10.645 7.372 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -9.037 -11.487 7.968 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -8.242 -10.605 6.130 1.00 5.11 O ATOM 0 H ASP A 92 -8.732 -7.467 7.403 1.00 2.34 H new ATOM 0 HA ASP A 92 -9.225 -9.348 9.574 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -6.992 -8.998 7.525 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -6.870 -10.152 8.838 1.00 3.81 H new ATOM 1509 N PHE A 93 -8.204 -7.217 10.937 1.00 2.71 N ATOM 1510 CA PHE A 93 -7.428 -6.542 11.970 1.00 2.95 C ATOM 1511 C PHE A 93 -8.327 -6.046 13.102 1.00 3.05 C ATOM 1512 O PHE A 93 -9.410 -5.514 12.868 1.00 3.30 O ATOM 1513 CB PHE A 93 -6.619 -5.382 11.372 1.00 3.27 C ATOM 1514 CG PHE A 93 -5.319 -5.099 12.085 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -5.302 -4.590 13.375 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -4.109 -5.345 11.455 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -4.110 -4.331 14.019 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -2.913 -5.090 12.097 1.00 5.30 C ATOM 1519 CZ PHE A 93 -2.915 -4.582 13.380 1.00 5.69 C ATOM 0 H PHE A 93 -9.199 -6.994 10.930 1.00 2.71 H new ATOM 0 HA PHE A 93 -6.731 -7.267 12.390 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -6.406 -5.604 10.326 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -7.232 -4.481 11.388 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -6.235 -4.394 13.882 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -4.101 -5.741 10.450 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -4.113 -3.932 15.023 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -1.977 -5.288 11.595 1.00 5.30 H new ATOM 0 HZ PHE A 93 -1.981 -4.381 13.883 1.00 5.69 H new ATOM 1529 N GLU A 94 -7.850 -6.228 14.325 1.00 3.44 N ATOM 1530 CA GLU A 94 -8.585 -5.803 15.515 1.00 3.96 C ATOM 1531 C GLU A 94 -8.636 -4.276 15.591 1.00 3.75 C ATOM 1532 O GLU A 94 -7.765 -3.591 15.046 1.00 4.15 O ATOM 1533 CB GLU A 94 -7.961 -6.384 16.793 1.00 4.82 C ATOM 1534 CG GLU A 94 -6.442 -6.471 16.751 1.00 5.73 C ATOM 1535 CD GLU A 94 -5.950 -7.786 16.178 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -6.073 -8.822 16.866 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -5.452 -7.793 15.032 1.00 7.20 O ATOM 0 H GLU A 94 -6.952 -6.670 14.523 1.00 3.44 H new ATOM 0 HA GLU A 94 -9.603 -6.186 15.437 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -8.257 -5.769 17.643 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -8.368 -7.381 16.964 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -6.051 -5.649 16.152 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -6.046 -6.347 17.759 1.00 5.73 H new ATOM 1544 N THR A 95 -9.664 -3.747 16.246 1.00 3.56 N ATOM 1545 CA THR A 95 -9.827 -2.304 16.368 1.00 3.57 C ATOM 1546 C THR A 95 -8.846 -1.709 17.369 1.00 3.11 C ATOM 1547 O THR A 95 -9.099 -1.690 18.575 1.00 3.46 O ATOM 1548 CB THR A 95 -11.251 -1.950 16.776 1.00 4.37 C ATOM 1549 OG1 THR A 95 -12.182 -2.494 15.855 1.00 4.92 O ATOM 1550 CG2 THR A 95 -11.475 -0.452 16.845 1.00 4.79 C ATOM 0 H THR A 95 -10.395 -4.295 16.699 1.00 3.56 H new ATOM 0 HA THR A 95 -9.619 -1.876 15.387 1.00 3.57 H new ATOM 0 HB THR A 95 -11.400 -2.374 17.769 1.00 4.37 H new ATOM 0 HG1 THR A 95 -13.092 -2.259 16.132 1.00 4.92 H new ATOM 0 HG21 THR A 95 -12.505 -0.251 17.140 1.00 4.79 H new ATOM 0 HG22 THR A 95 -10.796 -0.016 17.578 1.00 4.79 H new ATOM 0 HG23 THR A 95 -11.285 -0.010 15.867 1.00 4.79 H new ATOM 1558 N SER A 96 -7.732 -1.222 16.863 1.00 2.83 N ATOM 1559 CA SER A 96 -6.711 -0.620 17.652 1.00 2.92 C ATOM 1560 C SER A 96 -6.310 0.615 16.895 1.00 2.63 C ATOM 1561 O SER A 96 -5.146 0.791 16.560 1.00 2.95 O ATOM 1562 CB SER A 96 -5.528 -1.577 17.830 1.00 3.49 C ATOM 1563 OG SER A 96 -5.965 -2.834 18.320 1.00 4.05 O ATOM 0 H SER A 96 -7.519 -1.241 15.866 1.00 2.83 H new ATOM 0 HA SER A 96 -7.055 -0.379 18.658 1.00 2.92 H new ATOM 0 HB2 SER A 96 -5.017 -1.711 16.877 1.00 3.49 H new ATOM 0 HB3 SER A 96 -4.805 -1.144 18.521 1.00 3.49 H new ATOM 0 HG SER A 96 -5.194 -3.430 18.425 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.346 1.435 16.642 1.00 2.52 N ATOM 1570 CA GLU A 97 -7.305 2.726 15.939 1.00 2.71 C ATOM 1571 C GLU A 97 -5.910 3.147 15.484 1.00 2.41 C ATOM 1572 O GLU A 97 -5.649 3.361 14.302 1.00 2.64 O ATOM 1573 CB GLU A 97 -7.858 3.788 16.887 1.00 3.26 C ATOM 1574 CG GLU A 97 -9.236 3.476 17.467 1.00 3.93 C ATOM 1575 CD GLU A 97 -9.187 2.634 18.736 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -8.071 2.313 19.212 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -10.261 2.292 19.271 1.00 4.75 O ATOM 0 H GLU A 97 -8.291 1.197 16.942 1.00 2.52 H new ATOM 0 HA GLU A 97 -7.899 2.620 15.031 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -7.155 3.922 17.709 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -7.910 4.738 16.355 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -9.751 4.412 17.682 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -9.827 2.952 16.716 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.069 3.307 16.483 1.00 2.15 N ATOM 1585 CA TYR A 98 -3.674 3.745 16.368 1.00 1.95 C ATOM 1586 C TYR A 98 -2.913 3.065 15.232 1.00 1.56 C ATOM 1587 O TYR A 98 -2.049 3.666 14.609 1.00 1.45 O ATOM 1588 CB TYR A 98 -2.980 3.503 17.703 1.00 2.16 C ATOM 1589 CG TYR A 98 -3.584 4.292 18.844 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -4.873 4.035 19.320 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -2.856 5.310 19.440 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -5.401 4.776 20.362 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -3.381 6.048 20.479 1.00 4.46 C ATOM 1594 CZ TYR A 98 -4.649 5.780 20.935 1.00 4.66 C ATOM 1595 OH TYR A 98 -5.171 6.514 21.974 1.00 5.65 O ATOM 0 H TYR A 98 -5.343 3.129 17.449 1.00 2.15 H new ATOM 0 HA TYR A 98 -3.677 4.807 16.120 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.026 2.440 17.941 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -1.926 3.763 17.609 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.463 3.250 18.870 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -1.860 5.529 19.084 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -6.397 4.569 20.725 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -2.797 6.835 20.933 1.00 4.46 H new ATOM 0 HH TYR A 98 -4.515 7.181 22.266 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.274 1.835 14.941 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.647 1.128 13.838 1.00 1.34 C ATOM 1607 C VAL A 99 -3.219 1.643 12.531 1.00 1.17 C ATOM 1608 O VAL A 99 -2.489 1.997 11.615 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.831 -0.404 13.897 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -2.423 -1.044 12.560 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -2.046 -0.989 15.062 1.00 1.91 C ATOM 0 H VAL A 99 -3.988 1.306 15.442 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.576 1.319 13.912 1.00 1.34 H new ATOM 0 HB VAL A 99 -3.885 -0.628 14.063 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -2.558 -2.124 12.617 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -3.045 -0.642 11.760 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -1.376 -0.820 12.354 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -2.187 -2.070 15.089 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -0.987 -0.764 14.937 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -2.402 -0.553 15.996 1.00 1.91 H new ATOM 1621 N ARG A 100 -4.539 1.676 12.464 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.234 2.133 11.278 1.00 1.42 C ATOM 1623 C ARG A 100 -4.940 3.581 10.919 1.00 1.31 C ATOM 1624 O ARG A 100 -4.442 3.834 9.844 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.743 1.966 11.424 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.263 0.595 11.030 1.00 2.37 C ATOM 1627 CD ARG A 100 -6.879 0.223 9.602 1.00 3.01 C ATOM 1628 NE ARG A 100 -5.520 -0.311 9.503 1.00 3.48 N ATOM 1629 CZ ARG A 100 -5.151 -1.503 9.975 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -6.044 -2.323 10.522 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -3.902 -1.907 9.817 1.00 4.93 N ATOM 0 H ARG A 100 -5.153 1.388 13.226 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.857 1.505 10.470 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -7.020 2.162 12.460 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.241 2.719 10.813 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -6.868 -0.153 11.717 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -8.348 0.577 11.129 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -7.584 -0.516 9.222 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -6.966 1.104 8.966 1.00 3.01 H new ATOM 0 HE ARG A 100 -4.812 0.263 9.045 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -7.023 -2.043 10.584 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -5.750 -3.232 10.879 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -3.229 -1.309 9.337 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -3.611 -2.817 10.175 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.292 4.522 11.789 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.107 5.945 11.478 1.00 1.43 C ATOM 1647 C LYS A 101 -3.650 6.353 11.306 1.00 1.27 C ATOM 1648 O LYS A 101 -3.306 6.990 10.310 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.776 6.854 12.522 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.292 6.810 12.493 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.844 5.547 13.132 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.267 5.263 12.688 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.090 6.505 12.552 1.00 3.24 N ATOM 0 H LYS A 101 -5.702 4.335 12.704 1.00 1.34 H new ATOM 0 HA LYS A 101 -5.597 6.081 10.514 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.433 6.564 13.515 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.449 7.881 12.359 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.689 7.681 13.014 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.635 6.872 11.460 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.207 4.701 12.873 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.815 5.647 14.217 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.247 4.739 11.732 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -9.741 4.595 13.407 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.089 6.281 12.736 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.763 7.215 13.238 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.991 6.883 11.588 1.00 3.24 H new ATOM 1667 N ALA A 102 -2.800 6.005 12.260 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.387 6.372 12.184 1.00 1.11 C ATOM 1669 C ALA A 102 -0.710 5.809 10.942 1.00 0.99 C ATOM 1670 O ALA A 102 0.299 6.341 10.479 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.646 5.899 13.417 1.00 1.22 C ATOM 0 H ALA A 102 -3.057 5.473 13.091 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.349 7.460 12.125 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.404 6.182 13.341 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.083 6.360 14.303 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.725 4.815 13.495 1.00 1.22 H new ATOM 1677 N TRP A 103 -1.265 4.740 10.405 1.00 0.97 N ATOM 1678 CA TRP A 103 -0.695 4.136 9.220 1.00 1.01 C ATOM 1679 C TRP A 103 -1.522 4.478 7.998 1.00 0.93 C ATOM 1680 O TRP A 103 -1.030 4.427 6.881 1.00 1.00 O ATOM 1681 CB TRP A 103 -0.469 2.634 9.443 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.165 1.659 8.539 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.274 0.928 8.840 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.779 1.264 7.213 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -2.582 0.081 7.805 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -1.689 0.280 6.791 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.242 1.643 6.338 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -1.596 -0.332 5.550 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.322 1.032 5.101 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.588 0.058 4.718 1.00 0.98 C ATOM 0 H TRP A 103 -2.100 4.278 10.766 1.00 0.97 H new ATOM 0 HA TRP A 103 0.293 4.554 9.024 1.00 1.01 H new ATOM 0 HB2 TRP A 103 0.602 2.446 9.370 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -0.763 2.404 10.467 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.832 1.004 9.762 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -3.352 -0.588 7.795 1.00 1.16 H new ATOM 0 HE3 TRP A 103 0.957 2.401 6.623 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 -2.300 -1.094 5.251 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 1.109 1.319 4.419 1.00 0.73 H new ATOM 0 HH2 TRP A 103 -0.497 -0.400 3.744 1.00 0.98 H new ATOM 1701 N LEU A 104 -2.747 4.914 8.223 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.602 5.349 7.148 1.00 1.12 C ATOM 1703 C LEU A 104 -3.071 6.678 6.655 1.00 1.10 C ATOM 1704 O LEU A 104 -2.829 6.853 5.469 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.060 5.430 7.614 1.00 1.35 C ATOM 1706 CG LEU A 104 -5.994 6.281 6.765 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.380 5.674 6.739 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -6.044 7.695 7.312 1.00 1.69 C ATOM 0 H LEU A 104 -3.170 4.974 9.149 1.00 0.95 H new ATOM 0 HA LEU A 104 -3.594 4.634 6.325 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.462 4.418 7.655 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.073 5.820 8.632 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.614 6.313 5.744 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.037 6.293 6.128 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -7.330 4.671 6.316 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -7.773 5.620 7.754 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -6.714 8.298 6.700 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -6.410 7.675 8.339 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -5.044 8.129 7.291 1.00 1.69 H new ATOM 1720 N ARG A 105 -2.950 7.645 7.563 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.497 8.982 7.214 1.00 1.18 C ATOM 1722 C ARG A 105 -1.127 8.967 6.536 1.00 1.08 C ATOM 1723 O ARG A 105 -0.770 9.918 5.844 1.00 1.21 O ATOM 1724 CB ARG A 105 -2.463 9.841 8.481 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.360 11.336 8.216 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.326 12.142 9.506 1.00 2.29 C ATOM 1727 NE ARG A 105 -2.244 13.569 9.231 1.00 2.86 N ATOM 1728 CZ ARG A 105 -3.256 14.317 8.788 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -4.510 13.901 8.915 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -3.028 15.579 8.472 1.00 4.52 N ATOM 0 H ARG A 105 -3.162 7.521 8.553 1.00 1.01 H new ATOM 0 HA ARG A 105 -3.197 9.407 6.494 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -3.364 9.647 9.063 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.616 9.532 9.094 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -1.459 11.540 7.637 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.208 11.656 7.611 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -3.220 11.933 10.093 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -1.471 11.835 10.108 1.00 2.29 H new ATOM 0 HE ARG A 105 -1.348 14.030 9.388 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.707 13.002 9.355 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -5.277 14.480 8.573 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -2.090 15.967 8.568 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -3.790 16.165 8.132 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.386 7.869 6.687 1.00 0.95 N ATOM 1745 CA ASP A 106 0.916 7.737 6.021 1.00 0.99 C ATOM 1746 C ASP A 106 0.694 7.675 4.520 1.00 0.96 C ATOM 1747 O ASP A 106 1.521 8.141 3.738 1.00 1.17 O ATOM 1748 CB ASP A 106 1.696 6.510 6.495 1.00 1.09 C ATOM 1749 CG ASP A 106 2.937 6.882 7.287 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.782 7.645 6.770 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.074 6.415 8.435 1.00 1.76 O ATOM 0 H ASP A 106 -0.657 7.067 7.256 1.00 0.95 H new ATOM 0 HA ASP A 106 1.520 8.607 6.281 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.048 5.887 7.112 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.986 5.911 5.631 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.466 7.144 4.143 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.871 7.064 2.747 1.00 1.04 C ATOM 1758 C ILE A 107 -1.094 8.486 2.217 1.00 1.23 C ATOM 1759 O ILE A 107 -0.670 8.836 1.115 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.199 6.266 2.572 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.009 4.748 2.664 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.849 6.598 1.250 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.654 4.228 4.038 1.00 1.45 C ATOM 0 H ILE A 107 -1.148 6.759 4.796 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.083 6.549 2.198 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.840 6.570 3.399 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.927 4.262 2.335 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.225 4.453 1.967 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.774 6.031 1.147 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.071 7.665 1.211 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.172 6.338 0.436 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.541 3.145 3.999 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.718 4.679 4.367 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -2.447 4.485 4.740 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.768 9.303 3.030 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.052 10.686 2.664 1.00 1.52 C ATOM 1777 C ALA A 108 -0.766 11.500 2.630 1.00 1.59 C ATOM 1778 O ALA A 108 -0.365 11.993 1.576 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.061 11.311 3.622 1.00 1.62 C ATOM 0 H ALA A 108 -2.126 9.028 3.945 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.492 10.690 1.667 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.254 12.342 3.325 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.992 10.744 3.591 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.659 11.294 4.635 1.00 1.62 H new ATOM 1785 N GLU A 109 -0.108 11.597 3.782 1.00 1.39 N ATOM 1786 CA GLU A 109 1.165 12.297 3.891 1.00 1.50 C ATOM 1787 C GLU A 109 2.265 11.372 3.378 1.00 1.43 C ATOM 1788 O GLU A 109 3.140 10.947 4.139 1.00 1.70 O ATOM 1789 CB GLU A 109 1.455 12.701 5.344 1.00 1.69 C ATOM 1790 CG GLU A 109 0.385 13.576 5.989 1.00 1.73 C ATOM 1791 CD GLU A 109 0.885 14.279 7.239 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.873 15.038 7.143 1.00 2.40 O ATOM 1793 OE2 GLU A 109 0.286 14.093 8.320 1.00 2.56 O ATOM 0 H GLU A 109 -0.440 11.196 4.659 1.00 1.39 H new ATOM 0 HA GLU A 109 1.125 13.210 3.298 1.00 1.50 H new ATOM 0 HB2 GLU A 109 1.574 11.797 5.941 1.00 1.69 H new ATOM 0 HB3 GLU A 109 2.407 13.232 5.376 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.046 14.320 5.268 1.00 1.73 H new ATOM 0 HG3 GLU A 109 -0.479 12.961 6.243 1.00 1.73 H new ATOM 1800 N GLU A 110 2.182 11.019 2.106 1.00 1.49 N ATOM 1801 CA GLU A 110 3.114 10.119 1.492 1.00 1.63 C ATOM 1802 C GLU A 110 4.497 10.727 1.300 1.00 1.78 C ATOM 1803 O GLU A 110 4.659 11.694 0.564 1.00 2.20 O ATOM 1804 CB GLU A 110 2.544 9.613 0.166 1.00 2.09 C ATOM 1805 CG GLU A 110 1.558 10.540 -0.561 1.00 2.83 C ATOM 1806 CD GLU A 110 2.198 11.768 -1.184 1.00 3.38 C ATOM 1807 OE1 GLU A 110 3.070 11.608 -2.068 1.00 3.86 O ATOM 1808 OE2 GLU A 110 1.805 12.900 -0.824 1.00 3.86 O ATOM 0 H GLU A 110 1.456 11.358 1.475 1.00 1.49 H new ATOM 0 HA GLU A 110 3.252 9.279 2.173 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.377 9.408 -0.506 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.043 8.663 0.352 1.00 2.09 H new ATOM 0 HG2 GLU A 110 1.052 9.972 -1.342 1.00 2.83 H new ATOM 0 HG3 GLU A 110 0.793 10.862 0.145 1.00 2.83 H new ATOM 1815 N GLN A 111 5.475 10.110 1.971 1.00 1.93 N ATOM 1816 CA GLN A 111 6.897 10.487 1.930 1.00 2.44 C ATOM 1817 C GLN A 111 7.189 11.916 1.471 1.00 2.84 C ATOM 1818 O GLN A 111 7.923 12.130 0.508 1.00 3.22 O ATOM 1819 CB GLN A 111 7.661 9.505 1.054 1.00 2.97 C ATOM 1820 CG GLN A 111 8.073 8.236 1.782 1.00 3.66 C ATOM 1821 CD GLN A 111 9.259 8.448 2.694 1.00 4.54 C ATOM 1822 OE1 GLN A 111 10.352 8.785 2.242 1.00 5.12 O ATOM 1823 NE2 GLN A 111 9.052 8.266 3.983 1.00 5.02 N ATOM 0 H GLN A 111 5.296 9.309 2.577 1.00 1.93 H new ATOM 0 HA GLN A 111 7.231 10.447 2.967 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.043 9.238 0.197 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.552 9.996 0.664 1.00 2.97 H new ATOM 0 HG2 GLN A 111 7.231 7.868 2.367 1.00 3.66 H new ATOM 0 HG3 GLN A 111 8.315 7.464 1.051 1.00 3.66 H new ATOM 0 HE21 GLN A 111 8.130 7.986 4.317 1.00 5.02 H new ATOM 0 HE22 GLN A 111 9.814 8.405 4.647 1.00 5.02 H new