USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= 0.96 K(o=2.1,f=-5.3) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 163:sc= 1.13 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= 0 X(o=-0.83,f=-0.51) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.51) USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.767 F(o=-3.5!,f=-0.77) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 3.5 (180deg=3.39) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.3!) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00848 (180deg=-0.0934) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0807 K(o=-0.081,f=-0.64) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 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 60:sc= 0.6 USER MOD Single : A 66 GLN : amide:sc= -1.78! C(o=-1.8!,f=-5!) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 1:sc= 1.06 USER MOD Single : A 79 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.97) USER MOD Single : A 85 SER OG : rot 42:sc= 0.00227 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 9:sc= 1.22 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 11.079 -2.457 6.600 1.00 3.85 N ATOM 109 CA ARG A 9 9.870 -1.647 6.471 1.00 3.14 C ATOM 110 C ARG A 9 10.148 -0.152 6.549 1.00 2.98 C ATOM 111 O ARG A 9 9.842 0.493 7.552 1.00 3.23 O ATOM 112 CB ARG A 9 8.863 -2.046 7.541 1.00 2.97 C ATOM 113 CG ARG A 9 8.410 -3.482 7.410 1.00 3.11 C ATOM 114 CD ARG A 9 7.583 -3.897 8.609 1.00 3.35 C ATOM 115 NE ARG A 9 8.399 -4.109 9.802 1.00 3.78 N ATOM 116 CZ ARG A 9 7.929 -4.638 10.923 1.00 4.27 C ATOM 117 NH1 ARG A 9 6.774 -5.289 10.902 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.736 -4.794 11.959 1.00 4.95 N ATOM 0 HA ARG A 9 9.460 -1.842 5.480 1.00 3.14 H new ATOM 0 HB2 ARG A 9 9.307 -1.898 8.525 1.00 2.97 H new ATOM 0 HB3 ARG A 9 7.995 -1.389 7.481 1.00 2.97 H new ATOM 0 HG2 ARG A 9 7.823 -3.601 6.499 1.00 3.11 H new ATOM 0 HG3 ARG A 9 9.278 -4.135 7.318 1.00 3.11 H new ATOM 0 HD2 ARG A 9 6.836 -3.130 8.815 1.00 3.35 H new ATOM 0 HD3 ARG A 9 7.042 -4.814 8.374 1.00 3.35 H new ATOM 0 HE ARG A 9 9.381 -3.836 9.771 1.00 3.78 H new ATOM 0 HH11 ARG A 9 6.255 -5.379 10.028 1.00 4.46 H new ATOM 0 HH12 ARG A 9 6.404 -5.699 11.759 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.713 -4.508 11.892 1.00 4.95 H new ATOM 0 HH22 ARG A 9 8.382 -5.200 12.825 1.00 4.95 H new ATOM 132 N ILE A 10 10.722 0.381 5.481 1.00 2.78 N ATOM 133 CA ILE A 10 11.036 1.798 5.403 1.00 2.70 C ATOM 134 C ILE A 10 9.775 2.631 5.673 1.00 2.20 C ATOM 135 O ILE A 10 9.827 3.648 6.366 1.00 2.49 O ATOM 136 CB ILE A 10 11.674 2.135 4.031 1.00 2.80 C ATOM 137 CG1 ILE A 10 12.143 3.601 3.977 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.709 1.808 2.899 1.00 2.55 C ATOM 139 CD1 ILE A 10 11.122 4.584 3.441 1.00 3.25 C ATOM 0 H ILE A 10 10.981 -0.152 4.651 1.00 2.78 H new ATOM 0 HA ILE A 10 11.768 2.050 6.170 1.00 2.70 H new ATOM 0 HB ILE A 10 12.560 1.513 3.903 1.00 2.80 H new ATOM 0 HG12 ILE A 10 12.430 3.911 4.982 1.00 2.80 H new ATOM 0 HG13 ILE A 10 13.038 3.657 3.358 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.174 2.051 1.943 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.465 0.746 2.924 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.797 2.393 3.018 1.00 2.55 H new ATOM 0 HD11 ILE A 10 11.547 5.588 3.443 1.00 3.25 H new ATOM 0 HD12 ILE A 10 10.850 4.307 2.422 1.00 3.25 H new ATOM 0 HD13 ILE A 10 10.233 4.565 4.072 1.00 3.25 H new ATOM 151 N ILE A 11 8.633 2.161 5.173 1.00 1.98 N ATOM 152 CA ILE A 11 7.363 2.830 5.401 1.00 1.56 C ATOM 153 C ILE A 11 6.434 1.903 6.194 1.00 1.31 C ATOM 154 O ILE A 11 6.379 1.975 7.424 1.00 1.71 O ATOM 155 CB ILE A 11 6.675 3.269 4.084 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.522 4.317 3.352 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.279 3.818 4.366 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.991 4.690 1.989 1.00 2.05 C ATOM 0 H ILE A 11 8.567 1.316 4.606 1.00 1.98 H new ATOM 0 HA ILE A 11 7.567 3.737 5.970 1.00 1.56 H new ATOM 0 HB ILE A 11 6.581 2.393 3.442 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.581 5.215 3.966 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.538 3.937 3.244 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.811 4.121 3.429 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.673 3.046 4.841 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.354 4.679 5.030 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.644 5.435 1.536 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.958 3.803 1.356 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.987 5.101 2.090 1.00 2.05 H new ATOM 170 N ARG A 12 5.703 1.033 5.491 1.00 0.96 N ATOM 171 CA ARG A 12 4.768 0.108 6.132 1.00 1.02 C ATOM 172 C ARG A 12 4.562 -1.155 5.313 1.00 0.77 C ATOM 173 O ARG A 12 5.142 -1.329 4.240 1.00 0.91 O ATOM 174 CB ARG A 12 3.393 0.762 6.278 1.00 1.53 C ATOM 175 CG ARG A 12 3.199 1.644 7.491 1.00 2.10 C ATOM 176 CD ARG A 12 3.314 0.884 8.802 1.00 2.67 C ATOM 177 NE ARG A 12 4.573 1.170 9.490 1.00 3.29 N ATOM 178 CZ ARG A 12 4.817 0.855 10.760 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.926 0.162 11.459 1.00 4.30 N ATOM 180 NH2 ARG A 12 5.973 1.183 11.310 1.00 4.72 N ATOM 0 H ARG A 12 5.742 0.951 4.475 1.00 0.96 H new ATOM 0 HA ARG A 12 5.202 -0.143 7.100 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.201 1.359 5.386 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.640 -0.026 6.303 1.00 1.53 H new ATOM 0 HG2 ARG A 12 3.940 2.443 7.475 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.219 2.117 7.436 1.00 2.10 H new ATOM 0 HD2 ARG A 12 2.478 1.149 9.450 1.00 2.67 H new ATOM 0 HD3 ARG A 12 3.241 -0.186 8.609 1.00 2.67 H new ATOM 0 HE ARG A 12 5.310 1.640 8.964 1.00 3.29 H new ATOM 0 HH11 ARG A 12 3.052 -0.131 11.023 1.00 4.30 H new ATOM 0 HH12 ARG A 12 4.116 -0.078 12.432 1.00 4.30 H new ATOM 0 HH21 ARG A 12 6.677 1.677 10.761 1.00 4.72 H new ATOM 0 HH22 ARG A 12 6.161 0.942 12.283 1.00 4.72 H new ATOM 194 N HIS A 13 3.658 -1.985 5.821 1.00 0.70 N ATOM 195 CA HIS A 13 3.233 -3.223 5.173 1.00 0.68 C ATOM 196 C HIS A 13 2.101 -3.850 5.994 1.00 0.74 C ATOM 197 O HIS A 13 2.133 -3.819 7.227 1.00 1.04 O ATOM 198 CB HIS A 13 4.414 -4.196 4.880 1.00 0.93 C ATOM 199 CG HIS A 13 4.892 -5.139 5.961 1.00 1.07 C ATOM 200 ND1 HIS A 13 4.430 -5.440 7.200 1.00 1.69 N flip ATOM 201 CD2 HIS A 13 5.967 -5.981 5.753 1.00 1.46 C flip ATOM 202 CE1 HIS A 13 5.223 -6.445 7.702 1.00 1.98 C flip ATOM 203 NE2 HIS A 13 6.138 -6.751 6.807 1.00 1.80 N flip ATOM 0 H HIS A 13 3.191 -1.814 6.711 1.00 0.70 H new ATOM 0 HA HIS A 13 2.844 -2.990 4.182 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.131 -4.803 4.020 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.267 -3.590 4.575 1.00 0.93 H new ATOM 0 HD1 HIS A 13 3.640 -5.002 7.673 1.00 1.69 H new ATOM 0 HD2 HIS A 13 6.575 -6.004 4.861 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.113 -6.907 8.672 1.00 1.98 H new ATOM 212 N ASP A 14 1.081 -4.367 5.316 1.00 0.60 N ATOM 213 CA ASP A 14 -0.082 -4.960 5.983 1.00 0.69 C ATOM 214 C ASP A 14 -0.961 -5.641 4.937 1.00 0.61 C ATOM 215 O ASP A 14 -0.536 -5.804 3.792 1.00 0.86 O ATOM 216 CB ASP A 14 -0.869 -3.889 6.778 1.00 0.83 C ATOM 217 CG ASP A 14 -1.567 -4.469 8.000 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.438 -5.347 7.838 1.00 2.03 O ATOM 219 OD2 ASP A 14 -1.228 -4.066 9.137 1.00 1.78 O ATOM 0 H ASP A 14 1.033 -4.389 4.297 1.00 0.60 H new ATOM 0 HA ASP A 14 0.252 -5.707 6.703 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.186 -3.100 7.093 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.610 -3.427 6.125 1.00 0.83 H new ATOM 224 N ALA A 15 -2.164 -6.051 5.314 1.00 0.75 N ATOM 225 CA ALA A 15 -3.063 -6.732 4.393 1.00 0.71 C ATOM 226 C ALA A 15 -4.501 -6.219 4.515 1.00 0.68 C ATOM 227 O ALA A 15 -4.958 -5.880 5.607 1.00 0.88 O ATOM 228 CB ALA A 15 -3.003 -8.233 4.648 1.00 0.84 C ATOM 0 H ALA A 15 -2.541 -5.924 6.253 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.736 -6.521 3.375 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.675 -8.746 3.960 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.984 -8.588 4.493 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.307 -8.440 5.674 1.00 0.84 H new ATOM 234 N PHE A 16 -5.206 -6.159 3.387 1.00 0.60 N ATOM 235 CA PHE A 16 -6.591 -5.695 3.355 1.00 0.67 C ATOM 236 C PHE A 16 -7.408 -6.547 2.405 1.00 0.68 C ATOM 237 O PHE A 16 -6.874 -7.132 1.461 1.00 1.00 O ATOM 238 CB PHE A 16 -6.678 -4.227 2.931 1.00 0.77 C ATOM 239 CG PHE A 16 -6.065 -3.289 3.935 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.679 -3.055 5.162 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.859 -2.667 3.669 1.00 1.74 C ATOM 242 CE1 PHE A 16 -6.097 -2.215 6.094 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.273 -1.824 4.597 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.892 -1.597 5.813 1.00 2.35 C ATOM 0 H PHE A 16 -4.836 -6.429 2.475 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.994 -5.786 4.364 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -6.177 -4.101 1.971 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.724 -3.959 2.782 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.620 -3.534 5.389 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.367 -2.842 2.723 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.584 -2.041 7.042 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.332 -1.343 4.372 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.437 -0.940 6.539 1.00 2.35 H new ATOM 254 N GLN A 17 -8.703 -6.599 2.643 1.00 0.59 N ATOM 255 CA GLN A 17 -9.603 -7.358 1.799 1.00 0.60 C ATOM 256 C GLN A 17 -10.721 -6.435 1.381 1.00 0.64 C ATOM 257 O GLN A 17 -11.698 -6.243 2.101 1.00 0.95 O ATOM 258 CB GLN A 17 -10.132 -8.604 2.516 1.00 0.74 C ATOM 259 CG GLN A 17 -11.004 -9.484 1.631 1.00 1.07 C ATOM 260 CD GLN A 17 -11.385 -10.794 2.291 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.892 -10.813 3.409 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.164 -11.892 1.595 1.00 1.63 N ATOM 0 H GLN A 17 -9.158 -6.121 3.420 1.00 0.59 H new ATOM 0 HA GLN A 17 -9.074 -7.724 0.919 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.289 -9.190 2.881 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.707 -8.296 3.389 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.910 -8.939 1.367 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.475 -9.692 0.701 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.740 -11.832 0.669 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.417 -12.801 1.983 1.00 1.63 H new ATOM 271 N VAL A 18 -10.518 -5.815 0.241 1.00 0.51 N ATOM 272 CA VAL A 18 -11.458 -4.845 -0.284 1.00 0.59 C ATOM 273 C VAL A 18 -11.689 -5.018 -1.769 1.00 0.60 C ATOM 274 O VAL A 18 -11.257 -6.005 -2.375 1.00 1.04 O ATOM 275 CB VAL A 18 -10.979 -3.420 -0.004 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.786 -2.825 1.131 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.484 -3.404 0.282 1.00 0.84 C ATOM 0 H VAL A 18 -9.700 -5.967 -0.349 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.405 -5.018 0.227 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.138 -2.801 -0.887 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -11.442 -1.810 1.328 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -12.841 -2.804 0.856 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.657 -3.432 2.027 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -9.162 -2.381 0.479 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.274 -4.025 1.153 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.944 -3.795 -0.581 1.00 0.84 H new ATOM 287 N TRP A 19 -12.398 -4.060 -2.329 1.00 0.63 N ATOM 288 CA TRP A 19 -12.766 -4.073 -3.726 1.00 0.65 C ATOM 289 C TRP A 19 -11.763 -3.340 -4.619 1.00 0.68 C ATOM 290 O TRP A 19 -11.471 -2.158 -4.425 1.00 1.04 O ATOM 291 CB TRP A 19 -14.134 -3.418 -3.857 1.00 0.72 C ATOM 292 CG TRP A 19 -15.132 -3.890 -2.838 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.972 -4.962 -2.942 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.382 -3.310 -1.550 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.761 -5.055 -1.819 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.414 -4.060 -0.950 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.839 -2.229 -0.852 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.921 -3.750 0.308 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.337 -1.926 0.400 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.369 -2.686 0.967 1.00 0.96 C ATOM 0 H TRP A 19 -12.737 -3.243 -1.821 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.779 -5.110 -4.062 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -14.020 -2.338 -3.767 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.527 -3.615 -4.855 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -16.011 -5.638 -3.783 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.487 -5.754 -1.661 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -14.043 -1.640 -1.284 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.720 -4.328 0.748 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.926 -1.092 0.950 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.737 -2.425 1.948 1.00 0.96 H new ATOM 311 N GLU A 20 -11.282 -4.064 -5.616 1.00 0.69 N ATOM 312 CA GLU A 20 -10.346 -3.553 -6.612 1.00 0.77 C ATOM 313 C GLU A 20 -11.144 -3.350 -7.905 1.00 1.18 C ATOM 314 O GLU A 20 -11.844 -4.276 -8.316 1.00 1.81 O ATOM 315 CB GLU A 20 -9.246 -4.597 -6.833 1.00 1.04 C ATOM 316 CG GLU A 20 -7.869 -4.037 -7.114 1.00 1.26 C ATOM 317 CD GLU A 20 -6.818 -5.110 -6.949 1.00 1.90 C ATOM 318 OE1 GLU A 20 -6.919 -6.156 -7.624 1.00 2.42 O ATOM 319 OE2 GLU A 20 -5.911 -4.931 -6.108 1.00 2.62 O ATOM 0 H GLU A 20 -11.534 -5.042 -5.761 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.884 -2.618 -6.295 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.188 -5.232 -5.949 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.537 -5.236 -7.666 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.833 -3.637 -8.127 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.661 -3.209 -6.436 1.00 1.26 H new ATOM 326 N GLY A 21 -11.127 -2.163 -8.519 1.00 1.49 N ATOM 327 CA GLY A 21 -11.932 -1.946 -9.716 1.00 1.95 C ATOM 328 C GLY A 21 -11.666 -2.924 -10.832 1.00 2.05 C ATOM 329 O GLY A 21 -10.516 -3.145 -11.221 1.00 2.48 O ATOM 0 H GLY A 21 -10.579 -1.359 -8.214 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.986 -2.001 -9.445 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.750 -0.936 -10.083 1.00 1.95 H new ATOM 333 N ASP A 22 -12.759 -3.498 -11.335 1.00 2.34 N ATOM 334 CA ASP A 22 -12.732 -4.474 -12.422 1.00 2.75 C ATOM 335 C ASP A 22 -12.138 -5.790 -11.961 1.00 2.43 C ATOM 336 O ASP A 22 -11.724 -6.619 -12.778 1.00 2.85 O ATOM 337 CB ASP A 22 -11.975 -3.952 -13.639 1.00 3.62 C ATOM 338 CG ASP A 22 -12.696 -2.807 -14.301 1.00 4.19 C ATOM 339 OD1 ASP A 22 -12.750 -1.696 -13.725 1.00 4.65 O ATOM 340 OD2 ASP A 22 -13.250 -3.021 -15.393 1.00 4.60 O ATOM 0 H ASP A 22 -13.699 -3.295 -10.994 1.00 2.34 H new ATOM 0 HA ASP A 22 -13.767 -4.643 -12.720 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -10.980 -3.627 -13.336 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -11.841 -4.761 -14.358 1.00 3.62 H new ATOM 345 N GLU A 23 -12.104 -5.973 -10.653 1.00 2.07 N ATOM 346 CA GLU A 23 -11.575 -7.185 -10.044 1.00 2.37 C ATOM 347 C GLU A 23 -12.444 -7.569 -8.853 1.00 1.70 C ATOM 348 O GLU A 23 -13.005 -6.701 -8.188 1.00 1.86 O ATOM 349 CB GLU A 23 -10.126 -6.971 -9.590 1.00 3.34 C ATOM 350 CG GLU A 23 -9.098 -7.090 -10.708 1.00 4.22 C ATOM 351 CD GLU A 23 -8.856 -8.524 -11.142 1.00 5.12 C ATOM 352 OE1 GLU A 23 -8.447 -9.353 -10.295 1.00 5.78 O ATOM 353 OE2 GLU A 23 -9.074 -8.832 -12.331 1.00 5.52 O ATOM 0 H GLU A 23 -12.443 -5.285 -9.980 1.00 2.07 H new ATOM 0 HA GLU A 23 -11.587 -7.989 -10.780 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -10.041 -5.983 -9.137 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -9.889 -7.699 -8.814 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -9.434 -6.508 -11.566 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -8.156 -6.653 -10.376 1.00 4.22 H new ATOM 360 N PRO A 24 -12.579 -8.860 -8.544 1.00 1.42 N ATOM 361 CA PRO A 24 -13.386 -9.290 -7.413 1.00 1.17 C ATOM 362 C PRO A 24 -12.685 -8.972 -6.097 1.00 0.97 C ATOM 363 O PRO A 24 -11.454 -8.844 -6.063 1.00 1.08 O ATOM 364 CB PRO A 24 -13.491 -10.802 -7.624 1.00 1.65 C ATOM 365 CG PRO A 24 -12.216 -11.152 -8.308 1.00 2.09 C ATOM 366 CD PRO A 24 -11.949 -10.003 -9.242 1.00 2.00 C ATOM 0 HA PRO A 24 -14.355 -8.794 -7.359 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -13.596 -11.332 -6.677 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -14.357 -11.062 -8.233 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -11.404 -11.275 -7.591 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -12.305 -12.092 -8.853 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -10.881 -9.845 -9.394 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -12.390 -10.170 -10.225 1.00 2.00 H new ATOM 374 N PRO A 25 -13.440 -8.850 -4.991 1.00 0.88 N ATOM 375 CA PRO A 25 -12.864 -8.573 -3.676 1.00 0.77 C ATOM 376 C PRO A 25 -11.788 -9.599 -3.362 1.00 0.74 C ATOM 377 O PRO A 25 -11.936 -10.782 -3.684 1.00 0.92 O ATOM 378 CB PRO A 25 -14.049 -8.686 -2.710 1.00 0.92 C ATOM 379 CG PRO A 25 -15.152 -9.320 -3.492 1.00 1.08 C ATOM 380 CD PRO A 25 -14.897 -8.994 -4.935 1.00 1.09 C ATOM 0 HA PRO A 25 -12.386 -7.596 -3.611 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.789 -9.290 -1.841 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.346 -7.705 -2.339 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.168 -10.399 -3.335 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.122 -8.938 -3.174 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.249 -9.786 -5.596 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.404 -8.078 -5.237 1.00 1.09 H new ATOM 388 N LYS A 26 -10.689 -9.156 -2.778 1.00 0.65 N ATOM 389 CA LYS A 26 -9.591 -10.057 -2.497 1.00 0.73 C ATOM 390 C LYS A 26 -8.706 -9.563 -1.357 1.00 0.66 C ATOM 391 O LYS A 26 -8.574 -8.354 -1.123 1.00 0.88 O ATOM 392 CB LYS A 26 -8.736 -10.207 -3.752 1.00 0.95 C ATOM 393 CG LYS A 26 -8.085 -8.902 -4.159 1.00 1.34 C ATOM 394 CD LYS A 26 -7.251 -9.026 -5.420 1.00 1.42 C ATOM 395 CE LYS A 26 -8.103 -9.057 -6.680 1.00 1.61 C ATOM 396 NZ LYS A 26 -7.274 -8.852 -7.900 1.00 2.20 N ATOM 0 H LYS A 26 -10.536 -8.189 -2.493 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.021 -11.012 -2.194 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -7.965 -10.957 -3.577 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -9.356 -10.573 -4.571 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -8.858 -8.149 -4.313 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -7.453 -8.548 -3.345 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -6.556 -8.189 -5.476 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -6.652 -9.935 -5.368 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.622 -10.013 -6.747 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.868 -8.283 -6.623 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -7.881 -8.895 -8.743 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -6.812 -7.921 -7.853 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -6.549 -9.596 -7.956 1.00 2.20 H new ATOM 410 N LEU A 27 -8.072 -10.513 -0.689 1.00 0.67 N ATOM 411 CA LEU A 27 -7.149 -10.219 0.391 1.00 0.65 C ATOM 412 C LEU A 27 -5.774 -9.940 -0.208 1.00 0.67 C ATOM 413 O LEU A 27 -4.930 -10.827 -0.312 1.00 1.02 O ATOM 414 CB LEU A 27 -7.098 -11.394 1.383 1.00 0.76 C ATOM 415 CG LEU A 27 -6.187 -11.212 2.611 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.480 -9.908 3.337 1.00 1.31 C ATOM 417 CD2 LEU A 27 -6.335 -12.387 3.567 1.00 1.23 C ATOM 0 H LEU A 27 -8.184 -11.508 -0.881 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.483 -9.341 0.943 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -8.111 -11.589 1.735 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.771 -12.283 0.844 1.00 0.76 H new ATOM 0 HG LEU A 27 -5.159 -11.174 2.252 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.818 -9.814 4.198 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.316 -9.070 2.660 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.516 -9.904 3.674 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -5.683 -12.240 4.428 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -7.370 -12.455 3.902 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -6.058 -13.309 3.056 1.00 1.23 H new ATOM 429 N ARG A 28 -5.566 -8.701 -0.626 1.00 0.57 N ATOM 430 CA ARG A 28 -4.309 -8.297 -1.226 1.00 0.59 C ATOM 431 C ARG A 28 -3.396 -7.678 -0.172 1.00 0.55 C ATOM 432 O ARG A 28 -3.866 -7.114 0.819 1.00 0.64 O ATOM 433 CB ARG A 28 -4.547 -7.313 -2.379 1.00 0.71 C ATOM 434 CG ARG A 28 -4.811 -5.877 -1.944 1.00 1.41 C ATOM 435 CD ARG A 28 -6.174 -5.671 -1.275 1.00 1.72 C ATOM 436 NE ARG A 28 -7.305 -6.069 -2.125 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.693 -5.406 -3.218 1.00 2.42 C ATOM 438 NH1 ARG A 28 -6.966 -4.405 -3.684 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.722 -5.847 -3.926 1.00 3.18 N ATOM 0 H ARG A 28 -6.258 -7.955 -0.559 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.821 -9.183 -1.633 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.677 -7.326 -3.035 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -5.395 -7.662 -2.968 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.027 -5.567 -1.252 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.743 -5.226 -2.815 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.206 -6.243 -0.348 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.283 -4.621 -1.005 1.00 1.72 H new ATOM 0 HE ARG A 28 -7.827 -6.905 -1.864 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.105 -4.136 -3.209 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -7.266 -3.902 -4.519 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -9.216 -6.691 -3.636 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -9.020 -5.343 -4.761 1.00 3.18 H new ATOM 453 N TYR A 29 -2.102 -7.800 -0.367 1.00 0.55 N ATOM 454 CA TYR A 29 -1.146 -7.269 0.586 1.00 0.59 C ATOM 455 C TYR A 29 -0.648 -5.900 0.141 1.00 0.55 C ATOM 456 O TYR A 29 -0.474 -5.652 -1.054 1.00 0.70 O ATOM 457 CB TYR A 29 0.012 -8.242 0.783 1.00 0.71 C ATOM 458 CG TYR A 29 -0.375 -9.553 1.436 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.706 -9.891 1.672 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.604 -10.449 1.819 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.041 -11.085 2.277 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.277 -11.640 2.426 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.043 -11.953 2.652 1.00 1.26 C ATOM 464 OH TYR A 29 -1.365 -13.140 3.268 1.00 1.58 O ATOM 0 H TYR A 29 -1.685 -8.261 -1.175 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.646 -7.146 1.547 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.462 -8.453 -0.187 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.777 -7.759 1.391 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.488 -9.207 1.377 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.642 -10.211 1.639 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.077 -11.335 2.454 1.00 1.63 H new ATOM 0 HE2 TYR A 29 1.055 -12.327 2.724 1.00 1.55 H new ATOM 0 HH TYR A 29 -0.545 -13.638 3.467 1.00 1.58 H new ATOM 474 N VAL A 30 -0.460 -5.018 1.117 1.00 0.48 N ATOM 475 CA VAL A 30 -0.022 -3.647 0.853 1.00 0.48 C ATOM 476 C VAL A 30 1.329 -3.348 1.494 1.00 0.49 C ATOM 477 O VAL A 30 1.462 -3.361 2.716 1.00 0.59 O ATOM 478 CB VAL A 30 -1.064 -2.625 1.367 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.741 -1.215 0.891 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.470 -3.028 0.936 1.00 0.65 C ATOM 0 H VAL A 30 -0.604 -5.228 2.105 1.00 0.48 H new ATOM 0 HA VAL A 30 0.079 -3.554 -0.228 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.021 -2.626 2.456 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.492 -0.522 1.270 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.242 -0.922 1.261 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.741 -1.190 -0.199 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.188 -2.297 1.307 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.520 -3.066 -0.152 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.708 -4.010 1.344 1.00 0.65 H new ATOM 490 N PHE A 31 2.331 -3.074 0.674 1.00 0.49 N ATOM 491 CA PHE A 31 3.664 -2.769 1.178 1.00 0.54 C ATOM 492 C PHE A 31 4.146 -1.438 0.615 1.00 0.52 C ATOM 493 O PHE A 31 4.419 -1.339 -0.567 1.00 0.56 O ATOM 494 CB PHE A 31 4.658 -3.864 0.767 1.00 0.61 C ATOM 495 CG PHE A 31 4.160 -5.275 0.919 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.302 -5.961 2.115 1.00 1.44 C ATOM 497 CD2 PHE A 31 3.552 -5.923 -0.147 1.00 1.22 C ATOM 498 CE1 PHE A 31 3.852 -7.260 2.246 1.00 1.49 C ATOM 499 CE2 PHE A 31 3.104 -7.222 -0.021 1.00 1.30 C ATOM 500 CZ PHE A 31 3.253 -7.891 1.176 1.00 0.85 C ATOM 0 H PHE A 31 2.249 -3.056 -0.343 1.00 0.49 H new ATOM 0 HA PHE A 31 3.609 -2.715 2.265 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.938 -3.705 -0.274 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.565 -3.750 1.361 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.771 -5.473 2.956 1.00 1.44 H new ATOM 0 HD2 PHE A 31 3.428 -5.404 -1.086 1.00 1.22 H new ATOM 0 HE1 PHE A 31 3.969 -7.781 3.185 1.00 1.49 H new ATOM 0 HE2 PHE A 31 2.636 -7.715 -0.860 1.00 1.30 H new ATOM 0 HZ PHE A 31 2.901 -8.907 1.275 1.00 0.85 H new ATOM 510 N LEU A 32 4.279 -0.417 1.438 1.00 0.57 N ATOM 511 CA LEU A 32 4.752 0.860 0.923 1.00 0.59 C ATOM 512 C LEU A 32 6.262 0.958 1.130 1.00 0.67 C ATOM 513 O LEU A 32 6.739 0.960 2.268 1.00 0.84 O ATOM 514 CB LEU A 32 4.052 2.041 1.590 1.00 0.74 C ATOM 515 CG LEU A 32 2.662 1.779 2.173 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.159 3.036 2.873 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.690 1.356 1.085 1.00 1.43 C ATOM 0 H LEU A 32 4.074 -0.438 2.437 1.00 0.57 H new ATOM 0 HA LEU A 32 4.516 0.905 -0.140 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.693 2.407 2.392 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.967 2.844 0.857 1.00 0.74 H new ATOM 0 HG LEU A 32 2.732 0.966 2.896 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.169 2.850 3.288 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.845 3.304 3.677 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.103 3.854 2.155 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.709 1.175 1.524 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.614 2.146 0.338 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.049 0.442 0.611 1.00 1.43 H new ATOM 529 N PHE A 33 7.012 0.996 0.034 1.00 0.75 N ATOM 530 CA PHE A 33 8.470 1.050 0.107 1.00 0.96 C ATOM 531 C PHE A 33 9.057 2.132 -0.795 1.00 1.08 C ATOM 532 O PHE A 33 8.731 2.208 -1.979 1.00 1.56 O ATOM 533 CB PHE A 33 9.078 -0.307 -0.278 1.00 1.17 C ATOM 534 CG PHE A 33 9.157 -1.299 0.854 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.016 -1.718 1.526 1.00 1.79 C ATOM 536 CD2 PHE A 33 10.381 -1.800 1.254 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.103 -2.615 2.573 1.00 2.06 C ATOM 538 CE2 PHE A 33 10.470 -2.697 2.298 1.00 2.28 C ATOM 539 CZ PHE A 33 9.330 -3.103 2.958 1.00 2.01 C ATOM 0 H PHE A 33 6.637 0.990 -0.914 1.00 0.75 H new ATOM 0 HA PHE A 33 8.722 1.295 1.139 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.486 -0.741 -1.084 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.081 -0.143 -0.672 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.050 -1.338 1.227 1.00 1.79 H new ATOM 0 HD2 PHE A 33 11.279 -1.485 0.743 1.00 2.01 H new ATOM 0 HE1 PHE A 33 7.209 -2.933 3.089 1.00 2.06 H new ATOM 0 HE2 PHE A 33 11.433 -3.081 2.599 1.00 2.28 H new ATOM 0 HZ PHE A 33 9.400 -3.804 3.777 1.00 2.01 H new ATOM 549 N ARG A 34 9.947 2.936 -0.211 1.00 1.04 N ATOM 550 CA ARG A 34 10.652 4.019 -0.904 1.00 1.17 C ATOM 551 C ARG A 34 9.697 5.073 -1.469 1.00 1.03 C ATOM 552 O ARG A 34 9.339 6.030 -0.784 1.00 1.87 O ATOM 553 CB ARG A 34 11.539 3.460 -2.026 1.00 1.83 C ATOM 554 CG ARG A 34 12.906 4.133 -2.117 1.00 2.51 C ATOM 555 CD ARG A 34 12.815 5.601 -2.516 1.00 3.05 C ATOM 556 NE ARG A 34 14.085 6.306 -2.315 1.00 3.66 N ATOM 557 CZ ARG A 34 14.271 7.594 -2.607 1.00 4.29 C ATOM 558 NH1 ARG A 34 13.369 8.230 -3.333 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.450 8.176 -2.389 1.00 5.12 N ATOM 0 H ARG A 34 10.203 2.853 0.773 1.00 1.04 H new ATOM 0 HA ARG A 34 11.278 4.510 -0.159 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.680 2.391 -1.868 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.022 3.576 -2.979 1.00 1.83 H new ATOM 0 HG2 ARG A 34 13.410 4.053 -1.154 1.00 2.51 H new ATOM 0 HG3 ARG A 34 13.520 3.601 -2.843 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.522 5.674 -3.563 1.00 3.05 H new ATOM 0 HD3 ARG A 34 12.034 6.088 -1.932 1.00 3.05 H new ATOM 0 HE ARG A 34 14.871 5.782 -1.930 1.00 3.66 H new ATOM 0 HH11 ARG A 34 12.540 7.736 -3.664 1.00 4.48 H new ATOM 0 HH12 ARG A 34 13.501 9.215 -3.562 1.00 4.48 H new ATOM 0 HH21 ARG A 34 16.220 7.636 -1.995 1.00 5.12 H new ATOM 0 HH22 ARG A 34 15.582 9.162 -2.616 1.00 5.12 H new ATOM 573 N ASN A 35 9.313 4.899 -2.727 1.00 0.98 N ATOM 574 CA ASN A 35 8.422 5.836 -3.402 1.00 1.38 C ATOM 575 C ASN A 35 7.315 5.093 -4.130 1.00 1.09 C ATOM 576 O ASN A 35 6.804 5.576 -5.140 1.00 1.24 O ATOM 577 CB ASN A 35 9.185 6.699 -4.426 1.00 2.08 C ATOM 578 CG ASN A 35 10.033 5.874 -5.382 1.00 2.84 C ATOM 579 OD1 ASN A 35 9.569 4.894 -5.967 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.276 6.279 -5.569 1.00 3.64 N ATOM 0 H ASN A 35 9.607 4.112 -3.305 1.00 0.98 H new ATOM 0 HA ASN A 35 7.996 6.481 -2.633 1.00 1.38 H new ATOM 0 HB2 ASN A 35 8.471 7.290 -5.000 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.826 7.402 -3.895 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.885 5.776 -6.215 1.00 3.64 H new ATOM 0 HD22 ASN A 35 11.627 7.095 -5.068 1.00 3.64 H new ATOM 587 N LYS A 36 6.944 3.916 -3.640 1.00 0.89 N ATOM 588 CA LYS A 36 5.896 3.144 -4.294 1.00 0.69 C ATOM 589 C LYS A 36 5.206 2.183 -3.337 1.00 0.66 C ATOM 590 O LYS A 36 5.720 1.879 -2.264 1.00 0.77 O ATOM 591 CB LYS A 36 6.469 2.382 -5.504 1.00 0.80 C ATOM 592 CG LYS A 36 7.686 1.502 -5.196 1.00 1.05 C ATOM 593 CD LYS A 36 7.290 0.093 -4.768 1.00 1.32 C ATOM 594 CE LYS A 36 8.504 -0.775 -4.453 1.00 1.84 C ATOM 595 NZ LYS A 36 9.387 -0.976 -5.637 1.00 2.23 N ATOM 0 H LYS A 36 7.344 3.482 -2.808 1.00 0.89 H new ATOM 0 HA LYS A 36 5.141 3.850 -4.640 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.683 1.755 -5.925 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.746 3.104 -6.272 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.323 1.445 -6.079 1.00 1.05 H new ATOM 0 HG3 LYS A 36 8.276 1.966 -4.406 1.00 1.05 H new ATOM 0 HD2 LYS A 36 6.647 0.149 -3.889 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.706 -0.375 -5.561 1.00 1.32 H new ATOM 0 HE2 LYS A 36 9.078 -0.313 -3.650 1.00 1.84 H new ATOM 0 HE3 LYS A 36 8.168 -1.745 -4.086 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.119 -1.678 -5.409 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.820 -1.316 -6.440 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 9.839 -0.074 -5.890 1.00 2.23 H new ATOM 609 N ILE A 37 4.054 1.698 -3.759 1.00 0.61 N ATOM 610 CA ILE A 37 3.280 0.747 -2.983 1.00 0.60 C ATOM 611 C ILE A 37 3.324 -0.618 -3.657 1.00 0.54 C ATOM 612 O ILE A 37 2.741 -0.822 -4.726 1.00 0.75 O ATOM 613 CB ILE A 37 1.809 1.188 -2.835 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.720 2.499 -2.058 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.972 0.105 -2.157 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.318 3.064 -1.981 1.00 1.01 C ATOM 0 H ILE A 37 3.628 1.952 -4.650 1.00 0.61 H new ATOM 0 HA ILE A 37 3.722 0.696 -1.988 1.00 0.60 H new ATOM 0 HB ILE A 37 1.404 1.347 -3.834 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.094 2.338 -1.047 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.374 3.234 -2.527 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.060 0.445 -2.067 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.003 -0.806 -2.755 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.375 -0.098 -1.165 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.332 3.995 -1.415 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.052 3.257 -2.988 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.336 2.347 -1.485 1.00 1.01 H new ATOM 628 N MET A 38 4.013 -1.543 -3.029 1.00 0.51 N ATOM 629 CA MET A 38 4.134 -2.889 -3.544 1.00 0.59 C ATOM 630 C MET A 38 2.862 -3.662 -3.232 1.00 0.60 C ATOM 631 O MET A 38 2.395 -3.685 -2.091 1.00 0.98 O ATOM 632 CB MET A 38 5.349 -3.593 -2.932 1.00 0.75 C ATOM 633 CG MET A 38 5.611 -4.971 -3.515 1.00 1.40 C ATOM 634 SD MET A 38 7.025 -5.793 -2.764 1.00 1.72 S ATOM 635 CE MET A 38 7.085 -7.297 -3.740 1.00 2.53 C ATOM 0 H MET A 38 4.504 -1.385 -2.149 1.00 0.51 H new ATOM 0 HA MET A 38 4.277 -2.847 -4.624 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.232 -2.971 -3.081 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.201 -3.685 -1.856 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.724 -5.591 -3.382 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.778 -4.880 -4.588 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.912 -7.920 -3.398 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.148 -7.843 -3.626 1.00 2.53 H new ATOM 0 HE3 MET A 38 7.231 -7.044 -4.790 1.00 2.53 H new ATOM 645 N PHE A 39 2.291 -4.263 -4.256 1.00 0.61 N ATOM 646 CA PHE A 39 1.059 -5.007 -4.109 1.00 0.71 C ATOM 647 C PHE A 39 1.263 -6.473 -4.473 1.00 0.72 C ATOM 648 O PHE A 39 1.847 -6.799 -5.504 1.00 1.08 O ATOM 649 CB PHE A 39 -0.002 -4.377 -5.007 1.00 1.11 C ATOM 650 CG PHE A 39 -1.223 -3.887 -4.286 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.115 -3.172 -3.112 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.480 -4.130 -4.809 1.00 1.32 C ATOM 653 CE1 PHE A 39 -2.239 -2.715 -2.463 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.614 -3.675 -4.166 1.00 1.66 C ATOM 655 CZ PHE A 39 -3.489 -2.966 -2.988 1.00 1.57 C ATOM 0 H PHE A 39 2.665 -4.250 -5.205 1.00 0.61 H new ATOM 0 HA PHE A 39 0.734 -4.968 -3.069 1.00 0.71 H new ATOM 0 HB2 PHE A 39 0.446 -3.541 -5.544 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.307 -5.109 -5.754 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.139 -2.969 -2.698 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -2.576 -4.683 -5.732 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -2.142 -2.159 -1.542 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.591 -3.872 -4.581 1.00 1.66 H new ATOM 0 HZ PHE A 39 -4.371 -2.608 -2.477 1.00 1.57 H new ATOM 665 N THR A 40 0.773 -7.347 -3.617 1.00 0.63 N ATOM 666 CA THR A 40 0.871 -8.780 -3.831 1.00 0.74 C ATOM 667 C THR A 40 -0.476 -9.413 -3.480 1.00 0.84 C ATOM 668 O THR A 40 -1.072 -9.076 -2.460 1.00 1.16 O ATOM 669 CB THR A 40 2.008 -9.372 -2.985 1.00 0.98 C ATOM 670 OG1 THR A 40 3.205 -8.612 -3.125 1.00 1.45 O ATOM 671 CG2 THR A 40 2.336 -10.800 -3.355 1.00 1.35 C ATOM 0 H THR A 40 0.296 -7.086 -2.754 1.00 0.63 H new ATOM 0 HA THR A 40 1.105 -8.991 -4.875 1.00 0.74 H new ATOM 0 HB THR A 40 1.644 -9.342 -1.958 1.00 0.98 H new ATOM 0 HG1 THR A 40 3.911 -9.010 -2.575 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.147 -11.163 -2.723 1.00 1.35 H new ATOM 0 HG22 THR A 40 1.455 -11.425 -3.210 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.643 -10.844 -4.400 1.00 1.35 H new ATOM 679 N GLU A 41 -0.974 -10.289 -4.332 1.00 1.04 N ATOM 680 CA GLU A 41 -2.269 -10.908 -4.106 1.00 1.27 C ATOM 681 C GLU A 41 -2.150 -12.351 -3.626 1.00 1.20 C ATOM 682 O GLU A 41 -1.518 -13.193 -4.269 1.00 1.66 O ATOM 683 CB GLU A 41 -3.084 -10.849 -5.391 1.00 1.89 C ATOM 684 CG GLU A 41 -3.555 -9.447 -5.737 1.00 2.55 C ATOM 685 CD GLU A 41 -4.126 -9.352 -7.135 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.050 -10.125 -7.456 1.00 3.56 O ATOM 687 OE2 GLU A 41 -3.675 -8.488 -7.912 1.00 3.46 O ATOM 0 H GLU A 41 -0.503 -10.589 -5.186 1.00 1.04 H new ATOM 0 HA GLU A 41 -2.771 -10.352 -3.314 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.482 -11.236 -6.213 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.951 -11.503 -5.294 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.312 -9.134 -5.018 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.719 -8.754 -5.642 1.00 2.55 H new ATOM 694 N GLN A 42 -2.790 -12.620 -2.500 1.00 1.08 N ATOM 695 CA GLN A 42 -2.824 -13.942 -1.894 1.00 1.24 C ATOM 696 C GLN A 42 -4.209 -14.147 -1.329 1.00 1.37 C ATOM 697 O GLN A 42 -4.470 -13.868 -0.157 1.00 1.84 O ATOM 698 CB GLN A 42 -1.757 -14.101 -0.807 1.00 1.58 C ATOM 699 CG GLN A 42 -0.392 -14.486 -1.354 1.00 2.34 C ATOM 700 CD GLN A 42 0.672 -14.571 -0.286 1.00 2.87 C ATOM 701 OE1 GLN A 42 1.163 -13.555 0.203 1.00 3.26 O ATOM 702 NE2 GLN A 42 1.022 -15.786 0.101 1.00 3.46 N ATOM 0 H GLN A 42 -3.308 -11.917 -1.973 1.00 1.08 H new ATOM 0 HA GLN A 42 -2.601 -14.697 -2.647 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.669 -13.165 -0.255 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -2.083 -14.860 -0.096 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -0.468 -15.449 -1.860 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -0.088 -13.755 -2.104 1.00 2.34 H new ATOM 0 HE21 GLN A 42 0.590 -16.603 -0.331 1.00 3.46 H new ATOM 0 HE22 GLN A 42 1.724 -15.906 0.831 1.00 3.46 H new ATOM 711 N ASP A 43 -5.093 -14.605 -2.188 1.00 1.32 N ATOM 712 CA ASP A 43 -6.457 -14.823 -1.826 1.00 1.60 C ATOM 713 C ASP A 43 -6.765 -16.288 -1.976 1.00 1.62 C ATOM 714 O ASP A 43 -6.211 -16.952 -2.858 1.00 1.97 O ATOM 715 CB ASP A 43 -7.379 -13.986 -2.709 1.00 2.08 C ATOM 716 CG ASP A 43 -8.746 -13.806 -2.091 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.826 -13.273 -0.964 1.00 2.96 O ATOM 718 OD2 ASP A 43 -9.747 -14.175 -2.732 1.00 2.87 O ATOM 0 H ASP A 43 -4.875 -14.834 -3.158 1.00 1.32 H new ATOM 0 HA ASP A 43 -6.620 -14.520 -0.792 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.927 -13.009 -2.881 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.482 -14.465 -3.683 1.00 2.08 H new ATOM 723 N ALA A 44 -7.614 -16.776 -1.095 1.00 1.87 N ATOM 724 CA ALA A 44 -8.006 -18.170 -1.060 1.00 2.28 C ATOM 725 C ALA A 44 -6.848 -19.060 -0.624 1.00 2.75 C ATOM 726 O ALA A 44 -5.887 -19.274 -1.360 1.00 3.39 O ATOM 727 CB ALA A 44 -8.594 -18.636 -2.384 1.00 2.82 C ATOM 0 H ALA A 44 -8.057 -16.208 -0.373 1.00 1.87 H new ATOM 0 HA ALA A 44 -8.796 -18.259 -0.314 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -8.873 -19.687 -2.308 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -9.477 -18.042 -2.619 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -7.854 -18.513 -3.174 1.00 2.82 H new ATOM 861 N TYR A 54 2.658 -8.880 -10.651 1.00 2.10 N ATOM 862 CA TYR A 54 3.180 -8.085 -9.559 1.00 2.00 C ATOM 863 C TYR A 54 2.597 -6.688 -9.644 1.00 1.62 C ATOM 864 O TYR A 54 3.154 -5.820 -10.315 1.00 1.96 O ATOM 865 CB TYR A 54 4.705 -8.010 -9.611 1.00 2.78 C ATOM 866 CG TYR A 54 5.390 -9.145 -8.890 1.00 3.45 C ATOM 867 CD1 TYR A 54 5.274 -10.453 -9.331 1.00 3.89 C ATOM 868 CD2 TYR A 54 6.156 -8.895 -7.765 1.00 4.24 C ATOM 869 CE1 TYR A 54 5.910 -11.485 -8.669 1.00 4.87 C ATOM 870 CE2 TYR A 54 6.792 -9.918 -7.094 1.00 5.15 C ATOM 871 CZ TYR A 54 6.669 -11.212 -7.550 1.00 5.40 C ATOM 872 OH TYR A 54 7.311 -12.238 -6.890 1.00 6.50 O ATOM 0 HA TYR A 54 2.897 -8.555 -8.617 1.00 2.00 H new ATOM 0 HB2 TYR A 54 5.025 -8.007 -10.653 1.00 2.78 H new ATOM 0 HB3 TYR A 54 5.029 -7.065 -9.175 1.00 2.78 H new ATOM 0 HD1 TYR A 54 4.678 -10.669 -10.205 1.00 3.89 H new ATOM 0 HD2 TYR A 54 6.257 -7.881 -7.406 1.00 4.24 H new ATOM 0 HE1 TYR A 54 5.814 -12.500 -9.025 1.00 4.87 H new ATOM 0 HE2 TYR A 54 7.383 -9.706 -6.216 1.00 5.15 H new ATOM 0 HH TYR A 54 7.804 -11.876 -6.124 1.00 6.50 H new ATOM 882 N SER A 55 1.474 -6.477 -8.978 1.00 1.34 N ATOM 883 CA SER A 55 0.820 -5.180 -8.987 1.00 1.50 C ATOM 884 C SER A 55 1.719 -4.148 -8.306 1.00 1.20 C ATOM 885 O SER A 55 2.296 -4.417 -7.246 1.00 1.33 O ATOM 886 CB SER A 55 -0.535 -5.291 -8.284 1.00 2.13 C ATOM 887 OG SER A 55 -1.252 -4.072 -8.302 1.00 2.61 O ATOM 0 H SER A 55 0.996 -7.188 -8.424 1.00 1.34 H new ATOM 0 HA SER A 55 0.648 -4.853 -10.012 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.130 -6.067 -8.767 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.381 -5.604 -7.251 1.00 2.13 H new ATOM 0 HG SER A 55 -2.110 -4.190 -7.844 1.00 2.61 H new ATOM 893 N SER A 56 1.859 -2.978 -8.917 1.00 1.07 N ATOM 894 CA SER A 56 2.703 -1.936 -8.363 1.00 0.91 C ATOM 895 C SER A 56 2.032 -0.576 -8.491 1.00 0.80 C ATOM 896 O SER A 56 1.558 -0.192 -9.566 1.00 0.93 O ATOM 897 CB SER A 56 4.064 -1.934 -9.065 1.00 1.09 C ATOM 898 OG SER A 56 4.986 -1.054 -8.429 1.00 1.73 O ATOM 0 H SER A 56 1.399 -2.731 -9.793 1.00 1.07 H new ATOM 0 HA SER A 56 2.857 -2.139 -7.303 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.471 -2.945 -9.071 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.936 -1.636 -10.106 1.00 1.09 H new ATOM 0 HG SER A 56 5.843 -1.080 -8.903 1.00 1.73 H new ATOM 904 N ILE A 57 2.001 0.149 -7.390 1.00 0.68 N ATOM 905 CA ILE A 57 1.413 1.474 -7.336 1.00 0.67 C ATOM 906 C ILE A 57 2.522 2.488 -7.103 1.00 0.63 C ATOM 907 O ILE A 57 3.421 2.241 -6.303 1.00 0.81 O ATOM 908 CB ILE A 57 0.355 1.546 -6.205 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.981 0.962 -6.676 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.156 2.973 -5.708 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.747 1.873 -7.618 1.00 0.81 C ATOM 0 H ILE A 57 2.386 -0.167 -6.500 1.00 0.68 H new ATOM 0 HA ILE A 57 0.910 1.697 -8.277 1.00 0.67 H new ATOM 0 HB ILE A 57 0.730 0.950 -5.373 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.796 0.011 -7.175 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.602 0.750 -5.805 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.593 2.981 -4.916 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.099 3.358 -5.320 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.181 3.602 -6.532 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.681 1.393 -7.909 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.964 2.816 -7.116 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.146 2.065 -8.507 1.00 0.81 H new ATOM 923 N ARG A 58 2.485 3.613 -7.792 1.00 0.66 N ATOM 924 CA ARG A 58 3.518 4.617 -7.628 1.00 0.73 C ATOM 925 C ARG A 58 3.112 5.642 -6.572 1.00 0.75 C ATOM 926 O ARG A 58 1.927 5.829 -6.304 1.00 0.91 O ATOM 927 CB ARG A 58 3.783 5.322 -8.958 1.00 0.96 C ATOM 928 CG ARG A 58 2.653 6.232 -9.420 1.00 1.24 C ATOM 929 CD ARG A 58 3.000 6.916 -10.728 1.00 1.86 C ATOM 930 NE ARG A 58 4.419 7.231 -10.806 1.00 2.47 N ATOM 931 CZ ARG A 58 4.936 8.135 -11.634 1.00 2.95 C ATOM 932 NH1 ARG A 58 4.222 9.209 -11.927 1.00 3.22 N ATOM 933 NH2 ARG A 58 6.250 8.234 -11.694 1.00 3.70 N ATOM 0 H ARG A 58 1.757 3.853 -8.465 1.00 0.66 H new ATOM 0 HA ARG A 58 4.429 4.119 -7.298 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.695 5.912 -8.868 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.965 4.569 -9.725 1.00 0.96 H new ATOM 0 HG2 ARG A 58 1.740 5.649 -9.542 1.00 1.24 H new ATOM 0 HG3 ARG A 58 2.452 6.983 -8.656 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.723 6.271 -11.562 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.417 7.832 -10.827 1.00 1.86 H new ATOM 0 HE ARG A 58 5.056 6.728 -10.188 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.295 9.331 -11.520 1.00 3.22 H new ATOM 0 HH12 ARG A 58 4.599 9.915 -12.560 1.00 3.22 H new ATOM 0 HH21 ARG A 58 6.834 7.629 -11.117 1.00 3.70 H new ATOM 0 HH22 ARG A 58 6.682 8.916 -12.318 1.00 3.70 H new ATOM 947 N LEU A 59 4.088 6.334 -5.997 1.00 0.85 N ATOM 948 CA LEU A 59 3.801 7.360 -5.004 1.00 1.02 C ATOM 949 C LEU A 59 4.231 8.715 -5.545 1.00 1.15 C ATOM 950 O LEU A 59 4.849 9.521 -4.846 1.00 1.59 O ATOM 951 CB LEU A 59 4.513 7.064 -3.677 1.00 1.28 C ATOM 952 CG LEU A 59 3.985 5.850 -2.908 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.749 5.655 -1.604 1.00 1.79 C ATOM 954 CD2 LEU A 59 2.495 5.992 -2.641 1.00 1.35 C ATOM 0 H LEU A 59 5.079 6.204 -6.200 1.00 0.85 H new ATOM 0 HA LEU A 59 2.729 7.367 -4.808 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.573 6.913 -3.878 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.432 7.942 -3.037 1.00 1.28 H new ATOM 0 HG LEU A 59 4.141 4.965 -3.525 1.00 1.35 H new ATOM 0 HD11 LEU A 59 4.354 4.786 -1.077 1.00 1.79 H new ATOM 0 HD12 LEU A 59 5.806 5.498 -1.821 1.00 1.79 H new ATOM 0 HD13 LEU A 59 4.635 6.541 -0.979 1.00 1.79 H new ATOM 0 HD21 LEU A 59 2.139 5.119 -2.094 1.00 1.35 H new ATOM 0 HD22 LEU A 59 2.315 6.890 -2.049 1.00 1.35 H new ATOM 0 HD23 LEU A 59 1.961 6.069 -3.588 1.00 1.35 H new ATOM 966 N ASP A 60 3.922 8.945 -6.814 1.00 1.13 N ATOM 967 CA ASP A 60 4.294 10.187 -7.476 1.00 1.33 C ATOM 968 C ASP A 60 3.078 10.928 -8.023 1.00 1.33 C ATOM 969 O ASP A 60 2.684 11.955 -7.486 1.00 1.56 O ATOM 970 CB ASP A 60 5.285 9.910 -8.608 1.00 1.46 C ATOM 971 CG ASP A 60 5.672 11.166 -9.363 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.203 12.110 -8.735 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.446 11.210 -10.588 1.00 2.27 O ATOM 0 H ASP A 60 3.414 8.287 -7.405 1.00 1.13 H new ATOM 0 HA ASP A 60 4.765 10.825 -6.728 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.182 9.447 -8.196 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.847 9.193 -9.303 1.00 1.46 H new ATOM 978 N LYS A 61 2.498 10.432 -9.107 1.00 1.22 N ATOM 979 CA LYS A 61 1.355 11.101 -9.712 1.00 1.28 C ATOM 980 C LYS A 61 0.030 10.403 -9.419 1.00 1.06 C ATOM 981 O LYS A 61 -0.644 9.900 -10.316 1.00 1.27 O ATOM 982 CB LYS A 61 1.571 11.249 -11.209 1.00 1.60 C ATOM 983 CG LYS A 61 2.480 12.411 -11.547 1.00 1.93 C ATOM 984 CD LYS A 61 1.839 13.743 -11.186 1.00 2.55 C ATOM 985 CE LYS A 61 2.748 14.913 -11.512 1.00 3.16 C ATOM 986 NZ LYS A 61 2.144 16.210 -11.102 1.00 3.92 N ATOM 0 H LYS A 61 2.795 9.579 -9.581 1.00 1.22 H new ATOM 0 HA LYS A 61 1.284 12.089 -9.257 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.000 10.328 -11.605 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.608 11.389 -11.701 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.424 12.303 -11.013 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.713 12.395 -12.612 1.00 1.93 H new ATOM 0 HD2 LYS A 61 0.899 13.852 -11.726 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.599 13.754 -10.123 1.00 2.55 H new ATOM 0 HE2 LYS A 61 3.705 14.782 -11.008 1.00 3.16 H new ATOM 0 HE3 LYS A 61 2.951 14.929 -12.583 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 2.794 16.986 -11.341 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 1.243 16.347 -11.602 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 1.973 16.205 -10.076 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.356 10.404 -8.158 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.615 9.815 -7.747 1.00 0.69 C ATOM 1002 C TYR A 62 -2.204 10.671 -6.631 1.00 0.67 C ATOM 1003 O TYR A 62 -1.459 11.307 -5.881 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.427 8.352 -7.290 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.037 8.201 -5.840 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.176 8.675 -5.357 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.916 7.612 -4.943 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.502 8.561 -4.019 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.603 7.505 -3.609 1.00 1.84 C ATOM 1010 CZ TYR A 62 -0.393 7.978 -3.151 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.088 7.888 -1.816 1.00 2.21 O ATOM 0 H TYR A 62 0.188 10.809 -7.396 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.302 9.792 -8.593 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.355 7.807 -7.463 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.662 7.885 -7.911 1.00 0.70 H new ATOM 0 HD1 TYR A 62 0.875 9.139 -6.037 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.862 7.231 -5.299 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.452 8.927 -3.657 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.303 7.052 -2.923 1.00 1.84 H new ATOM 0 HH TYR A 62 0.053 8.787 -1.451 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.519 10.685 -6.505 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.165 11.456 -5.446 1.00 0.73 C ATOM 1023 C ASN A 63 -4.824 10.499 -4.476 1.00 0.64 C ATOM 1024 O ASN A 63 -5.683 9.720 -4.866 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.202 12.423 -6.010 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.940 13.187 -4.920 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -5.338 13.964 -4.178 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -7.246 12.983 -4.810 1.00 2.13 N ATOM 0 H ASN A 63 -4.160 10.177 -7.115 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.407 12.049 -4.935 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.709 13.132 -6.676 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.922 11.868 -6.612 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -7.781 13.476 -4.095 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -7.715 12.333 -5.440 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.407 10.530 -3.235 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.966 9.621 -2.255 1.00 0.70 C ATOM 1037 C ILE A 64 -5.728 10.378 -1.168 1.00 0.79 C ATOM 1038 O ILE A 64 -5.316 11.460 -0.742 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.869 8.715 -1.648 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.514 7.516 -0.965 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.994 9.481 -0.668 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.540 6.423 -0.601 1.00 1.18 C ATOM 0 H ILE A 64 -3.692 11.164 -2.878 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.681 8.977 -2.767 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.226 8.366 -2.456 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.020 7.854 -0.061 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.279 7.103 -1.623 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.234 8.814 -0.261 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.510 10.310 -1.184 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.610 9.868 0.144 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.075 5.605 -0.119 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.051 6.056 -1.503 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.789 6.818 0.083 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.851 9.810 -0.744 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.691 10.414 0.278 1.00 0.80 C ATOM 1056 C ARG A 65 -8.252 9.364 1.195 1.00 0.68 C ATOM 1057 O ARG A 65 -8.717 8.307 0.755 1.00 0.71 O ATOM 1058 CB ARG A 65 -8.858 11.184 -0.340 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.438 12.417 -1.122 1.00 1.24 C ATOM 1060 CD ARG A 65 -7.780 13.421 -0.189 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.701 13.849 0.869 1.00 2.20 N ATOM 1062 CZ ARG A 65 -8.337 14.499 1.980 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -7.066 14.522 2.364 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -9.273 14.877 2.844 1.00 3.57 N ATOM 0 H ARG A 65 -7.202 8.921 -1.099 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.060 11.103 0.839 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.410 10.517 -1.002 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.542 11.485 0.453 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.746 12.137 -1.916 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.307 12.868 -1.601 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -6.891 12.977 0.258 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.450 14.289 -0.760 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.691 13.636 0.749 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -6.357 14.041 1.810 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -6.799 15.020 3.213 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -10.254 14.671 2.656 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -9.010 15.373 3.695 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.229 9.663 2.468 1.00 0.82 N ATOM 1079 CA GLN A 66 -8.751 8.768 3.468 1.00 0.83 C ATOM 1080 C GLN A 66 -10.126 9.266 3.902 1.00 0.99 C ATOM 1081 O GLN A 66 -10.274 10.363 4.437 1.00 1.30 O ATOM 1082 CB GLN A 66 -7.781 8.628 4.666 1.00 0.97 C ATOM 1083 CG GLN A 66 -7.617 9.862 5.554 1.00 1.30 C ATOM 1084 CD GLN A 66 -6.896 11.010 4.869 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.481 11.747 4.072 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -5.617 11.169 5.164 1.00 2.45 N ATOM 0 H GLN A 66 -7.848 10.533 2.840 1.00 0.82 H new ATOM 0 HA GLN A 66 -8.853 7.769 3.044 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.124 7.802 5.289 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -6.800 8.351 4.281 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -8.601 10.202 5.875 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -7.067 9.583 6.453 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -5.165 10.541 5.828 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -5.082 11.920 4.728 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.137 8.467 3.627 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.496 8.834 3.961 1.00 1.14 C ATOM 1097 C HIS A 67 -12.892 8.303 5.318 1.00 1.30 C ATOM 1098 O HIS A 67 -13.006 7.100 5.514 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.495 8.322 2.923 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.603 9.179 1.701 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -13.971 10.505 1.750 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.401 8.895 0.393 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -13.987 11.000 0.530 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.644 10.045 -0.313 1.00 1.61 N ATOM 0 H HIS A 67 -11.042 7.559 3.173 1.00 0.94 H new ATOM 0 HA HIS A 67 -12.523 9.924 3.974 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.206 7.315 2.622 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.478 8.246 3.388 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.104 7.941 -0.018 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.238 12.016 0.264 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.571 10.146 -1.325 1.00 1.61 H new ATOM 1113 N THR A 68 -13.147 9.209 6.230 1.00 1.74 N ATOM 1114 CA THR A 68 -13.595 8.839 7.547 1.00 2.04 C ATOM 1115 C THR A 68 -15.103 9.072 7.559 1.00 1.92 C ATOM 1116 O THR A 68 -15.838 8.240 7.031 1.00 2.16 O ATOM 1117 CB THR A 68 -12.862 9.659 8.614 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.462 9.593 8.401 1.00 3.12 O ATOM 1119 CG2 THR A 68 -13.127 9.186 10.026 1.00 3.23 C ATOM 0 H THR A 68 -13.051 10.214 6.081 1.00 1.74 H new ATOM 0 HA THR A 68 -13.376 7.797 7.779 1.00 2.04 H new ATOM 0 HB THR A 68 -13.242 10.676 8.515 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.002 10.121 9.086 1.00 3.12 H new ATOM 0 HG21 THR A 68 -12.576 9.812 10.729 1.00 3.23 H new ATOM 0 HG22 THR A 68 -14.194 9.254 10.238 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.802 8.151 10.130 1.00 3.23 H new ATOM 1127 N THR A 69 -15.547 10.236 8.058 1.00 2.34 N ATOM 1128 CA THR A 69 -16.971 10.640 8.048 1.00 2.58 C ATOM 1129 C THR A 69 -17.925 9.677 8.783 1.00 2.35 C ATOM 1130 O THR A 69 -18.938 10.110 9.335 1.00 2.76 O ATOM 1131 CB THR A 69 -17.426 10.836 6.593 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.481 11.613 5.880 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.768 11.528 6.457 1.00 3.69 C ATOM 0 H THR A 69 -14.931 10.929 8.482 1.00 2.34 H new ATOM 0 HA THR A 69 -17.028 11.573 8.609 1.00 2.58 H new ATOM 0 HB THR A 69 -17.516 9.828 6.187 1.00 3.11 H new ATOM 0 HG1 THR A 69 -16.783 11.728 4.955 1.00 3.61 H new ATOM 0 HG21 THR A 69 -19.020 11.630 5.401 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.535 10.937 6.958 1.00 3.69 H new ATOM 0 HG23 THR A 69 -18.716 12.516 6.914 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.625 8.391 8.776 1.00 2.34 N ATOM 1142 CA ASP A 70 -18.452 7.382 9.419 1.00 2.43 C ATOM 1143 C ASP A 70 -17.580 6.167 9.724 1.00 2.17 C ATOM 1144 O ASP A 70 -17.550 5.670 10.853 1.00 2.45 O ATOM 1145 CB ASP A 70 -19.615 6.992 8.501 1.00 3.01 C ATOM 1146 CG ASP A 70 -20.588 6.023 9.142 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -20.252 4.831 9.281 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -21.706 6.451 9.497 1.00 3.96 O ATOM 0 H ASP A 70 -16.794 8.013 8.321 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.871 7.775 10.345 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -20.153 7.893 8.205 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -19.216 6.545 7.590 1.00 3.01 H new ATOM 1153 N GLU A 71 -16.840 5.729 8.706 1.00 2.04 N ATOM 1154 CA GLU A 71 -15.920 4.605 8.826 1.00 2.00 C ATOM 1155 C GLU A 71 -14.771 4.740 7.846 1.00 1.55 C ATOM 1156 O GLU A 71 -14.987 5.093 6.682 1.00 1.90 O ATOM 1157 CB GLU A 71 -16.598 3.276 8.535 1.00 2.69 C ATOM 1158 CG GLU A 71 -16.825 2.405 9.766 1.00 3.30 C ATOM 1159 CD GLU A 71 -17.292 1.003 9.415 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -17.364 0.673 8.212 1.00 4.50 O ATOM 1161 OE2 GLU A 71 -17.576 0.216 10.345 1.00 4.40 O ATOM 0 H GLU A 71 -16.864 6.146 7.775 1.00 2.04 H new ATOM 0 HA GLU A 71 -15.563 4.621 9.856 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -17.559 3.468 8.058 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.992 2.721 7.819 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.899 2.342 10.337 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -17.565 2.879 10.410 1.00 3.30 H new ATOM 1168 N ASP A 72 -13.571 4.472 8.337 1.00 1.31 N ATOM 1169 CA ASP A 72 -12.350 4.551 7.547 1.00 1.10 C ATOM 1170 C ASP A 72 -12.508 3.942 6.156 1.00 0.90 C ATOM 1171 O ASP A 72 -13.230 2.961 5.951 1.00 1.26 O ATOM 1172 CB ASP A 72 -11.209 3.850 8.283 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.778 4.597 9.528 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.332 5.686 9.799 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -9.897 4.091 10.250 1.00 2.67 O ATOM 0 H ASP A 72 -13.415 4.191 9.305 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.124 5.609 7.416 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -11.522 2.843 8.557 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.357 3.747 7.611 1.00 1.58 H new ATOM 1180 N THR A 73 -11.785 4.534 5.235 1.00 0.74 N ATOM 1181 CA THR A 73 -11.733 4.127 3.837 1.00 0.65 C ATOM 1182 C THR A 73 -10.523 4.791 3.177 1.00 0.60 C ATOM 1183 O THR A 73 -10.212 5.944 3.464 1.00 0.79 O ATOM 1184 CB THR A 73 -13.039 4.501 3.097 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.129 3.715 3.551 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.966 4.338 1.586 1.00 0.94 C ATOM 0 H THR A 73 -11.194 5.340 5.438 1.00 0.74 H new ATOM 0 HA THR A 73 -11.632 3.043 3.781 1.00 0.65 H new ATOM 0 HB THR A 73 -13.184 5.557 3.325 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.822 3.106 4.255 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.921 4.620 1.143 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.178 4.978 1.189 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.746 3.299 1.342 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.851 4.075 2.288 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.687 4.612 1.597 1.00 0.52 C ATOM 1196 C ILE A 74 -8.880 4.512 0.092 1.00 0.50 C ATOM 1197 O ILE A 74 -8.872 3.416 -0.469 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.379 3.874 1.981 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.108 3.977 3.495 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.202 4.438 1.186 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.925 5.397 3.984 1.00 0.99 C ATOM 0 H ILE A 74 -10.092 3.119 2.027 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.593 5.654 1.903 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.497 2.819 1.733 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.937 3.520 4.036 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.214 3.401 3.735 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.289 3.912 1.465 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.386 4.306 0.120 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.090 5.500 1.406 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.738 5.391 5.058 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.078 5.852 3.471 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.827 5.973 3.776 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.048 5.649 -0.554 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.225 5.683 -1.986 1.00 0.45 C ATOM 1215 C VAL A 75 -8.042 6.390 -2.633 1.00 0.46 C ATOM 1216 O VAL A 75 -7.387 7.223 -1.998 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.528 6.414 -2.377 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.732 5.777 -1.689 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.421 7.905 -2.072 1.00 1.19 C ATOM 0 H VAL A 75 -9.065 6.564 -0.104 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.288 4.654 -2.340 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.676 6.311 -3.452 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.639 6.307 -1.978 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.811 4.732 -1.989 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.607 5.836 -0.608 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.349 8.402 -2.355 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.244 8.046 -1.006 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.593 8.334 -2.637 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.775 6.082 -3.887 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.690 6.729 -4.599 1.00 0.58 C ATOM 1231 C LEU A 76 -7.072 6.927 -6.046 1.00 0.59 C ATOM 1232 O LEU A 76 -7.452 5.984 -6.744 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.371 5.972 -4.480 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.485 4.462 -4.576 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -4.289 3.883 -5.304 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.651 3.822 -3.205 1.00 0.75 C ATOM 0 H LEU A 76 -8.291 5.391 -4.432 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.526 7.700 -4.133 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.698 6.321 -5.263 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.909 6.226 -3.526 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.383 4.233 -5.151 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.389 2.799 -5.363 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -4.240 4.298 -6.311 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.377 4.135 -4.763 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.729 2.740 -3.315 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.788 4.062 -2.585 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.555 4.205 -2.732 1.00 0.75 H new ATOM 1248 N GLN A 77 -6.993 8.170 -6.465 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.352 8.552 -7.812 1.00 0.74 C ATOM 1250 C GLN A 77 -6.108 8.617 -8.688 1.00 0.78 C ATOM 1251 O GLN A 77 -5.180 9.384 -8.428 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.069 9.911 -7.822 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.503 9.881 -7.308 1.00 1.36 C ATOM 1254 CD GLN A 77 -9.606 9.531 -5.841 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.036 10.203 -4.982 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.344 8.478 -5.548 1.00 2.03 N ATOM 0 H GLN A 77 -6.678 8.945 -5.881 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.032 7.799 -8.210 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.496 10.613 -7.216 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.071 10.297 -8.841 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.962 10.856 -7.475 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -10.074 9.156 -7.888 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.798 7.950 -6.293 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -10.460 8.191 -4.576 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.084 7.804 -9.739 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.970 7.745 -10.668 1.00 0.99 C ATOM 1267 C PRO A 78 -5.104 8.798 -11.763 1.00 1.02 C ATOM 1268 O PRO A 78 -6.077 8.803 -12.516 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.091 6.332 -11.229 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.551 6.024 -11.199 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.159 6.870 -10.109 1.00 1.20 C ATOM 0 HA PRO A 78 -4.003 7.947 -10.207 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.697 6.276 -12.244 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.526 5.620 -10.628 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.012 6.246 -12.162 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.718 4.965 -11.003 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.044 7.400 -10.462 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.469 6.262 -9.259 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.136 9.702 -11.838 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.177 10.762 -12.839 1.00 1.56 C ATOM 1281 C GLN A 79 -3.417 10.348 -14.093 1.00 1.66 C ATOM 1282 O GLN A 79 -3.193 11.150 -14.998 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.630 12.080 -12.279 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.207 11.987 -11.761 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.642 13.324 -11.321 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.469 14.237 -12.130 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.369 13.456 -10.029 1.00 3.46 N ATOM 0 H GLN A 79 -3.321 9.724 -11.225 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.220 10.926 -13.109 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.673 12.840 -13.059 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.279 12.416 -11.470 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.178 11.293 -10.921 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.570 11.570 -12.541 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -1.527 12.675 -9.392 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -1.002 14.338 -9.673 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.071 9.072 -14.157 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.389 8.521 -15.311 1.00 1.81 C ATOM 1298 C GLU A 80 -3.204 7.344 -15.837 1.00 1.62 C ATOM 1299 O GLU A 80 -3.812 6.611 -15.060 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.976 8.062 -14.952 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.135 9.146 -14.303 1.00 3.06 C ATOM 1302 CD GLU A 80 1.345 8.831 -14.350 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.867 8.582 -15.461 1.00 4.42 O ATOM 1304 OE2 GLU A 80 1.996 8.841 -13.288 1.00 4.35 O ATOM 0 H GLU A 80 -3.254 8.396 -13.415 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.299 9.292 -16.076 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.040 7.209 -14.276 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.474 7.716 -15.856 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.318 10.095 -14.807 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.445 9.271 -13.265 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.268 7.176 -17.165 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.053 6.103 -17.794 1.00 2.28 C ATOM 1313 C PRO A 81 -3.501 4.710 -17.526 1.00 2.24 C ATOM 1314 O PRO A 81 -4.151 3.711 -17.834 1.00 2.80 O ATOM 1315 CB PRO A 81 -3.985 6.425 -19.296 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.503 7.833 -19.369 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.630 8.034 -18.166 1.00 2.53 C ATOM 0 HA PRO A 81 -5.066 6.077 -17.392 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.305 5.748 -19.814 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -4.962 6.318 -19.767 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.945 8.007 -20.289 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.339 8.532 -19.366 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.599 7.736 -18.358 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -2.607 9.077 -17.851 1.00 2.53 H new ATOM 1325 N GLY A 82 -2.316 4.627 -16.943 1.00 1.99 N ATOM 1326 CA GLY A 82 -1.737 3.335 -16.651 1.00 2.10 C ATOM 1327 C GLY A 82 -2.044 2.864 -15.239 1.00 1.96 C ATOM 1328 O GLY A 82 -1.272 2.096 -14.663 1.00 2.51 O ATOM 0 H GLY A 82 -1.747 5.428 -16.668 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.114 2.602 -17.365 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -0.657 3.386 -16.787 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.154 3.331 -14.669 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.541 2.947 -13.314 1.00 1.40 C ATOM 1334 C LEU A 83 -5.057 2.818 -13.186 1.00 1.22 C ATOM 1335 O LEU A 83 -5.806 3.645 -13.710 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.031 3.988 -12.315 1.00 1.31 C ATOM 1337 CG LEU A 83 -1.534 3.922 -11.997 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.093 5.145 -11.208 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -1.220 2.660 -11.215 1.00 1.86 C ATOM 0 H LEU A 83 -3.800 3.975 -15.125 1.00 1.57 H new ATOM 0 HA LEU A 83 -3.095 1.976 -13.098 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.258 4.981 -12.704 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.587 3.875 -11.384 1.00 1.31 H new ATOM 0 HG LEU A 83 -0.986 3.904 -12.939 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.026 5.075 -10.994 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -1.288 6.044 -11.792 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -1.648 5.193 -10.271 1.00 1.26 H new ATOM 0 HD21 LEU A 83 -0.153 2.624 -10.995 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -1.783 2.661 -10.282 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -1.498 1.787 -11.806 1.00 1.86 H new ATOM 1351 N PRO A 84 -5.528 1.769 -12.497 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.958 1.517 -12.307 1.00 1.29 C ATOM 1353 C PRO A 84 -7.516 2.238 -11.077 1.00 1.09 C ATOM 1354 O PRO A 84 -6.841 3.070 -10.466 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.984 0.007 -12.096 1.00 1.58 C ATOM 1356 CG PRO A 84 -5.729 -0.263 -11.341 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.710 0.722 -11.857 1.00 1.64 C ATOM 0 HA PRO A 84 -7.567 1.872 -13.138 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -7.865 -0.304 -11.534 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -7.005 -0.530 -13.044 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -5.884 -0.138 -10.269 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -5.394 -1.288 -11.497 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -4.101 1.128 -11.049 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -4.028 0.257 -12.568 1.00 1.64 H new ATOM 1365 N SER A 85 -8.735 1.884 -10.686 1.00 0.99 N ATOM 1366 CA SER A 85 -9.358 2.466 -9.504 1.00 0.88 C ATOM 1367 C SER A 85 -9.427 1.420 -8.392 1.00 0.63 C ATOM 1368 O SER A 85 -10.033 0.364 -8.559 1.00 0.82 O ATOM 1369 CB SER A 85 -10.753 3.004 -9.835 1.00 1.23 C ATOM 1370 OG SER A 85 -11.472 2.110 -10.671 1.00 1.43 O ATOM 0 H SER A 85 -9.311 1.196 -11.171 1.00 0.99 H new ATOM 0 HA SER A 85 -8.753 3.305 -9.161 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.309 3.167 -8.912 1.00 1.23 H new ATOM 0 HB3 SER A 85 -10.663 3.972 -10.328 1.00 1.23 H new ATOM 0 HG SER A 85 -11.326 1.190 -10.368 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.747 1.685 -7.280 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.688 0.729 -6.181 1.00 0.64 C ATOM 1378 C PHE A 86 -8.956 1.407 -4.830 1.00 0.57 C ATOM 1379 O PHE A 86 -8.693 2.601 -4.660 1.00 0.63 O ATOM 1380 CB PHE A 86 -7.314 0.035 -6.246 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.550 -0.075 -4.956 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.956 -0.927 -3.942 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.403 0.678 -4.770 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -6.232 -1.016 -2.767 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.679 0.593 -3.600 1.00 1.36 C ATOM 1386 CZ PHE A 86 -5.092 -0.253 -2.598 1.00 0.75 C ATOM 0 H PHE A 86 -8.232 2.550 -7.117 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.473 -0.021 -6.278 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -7.459 -0.970 -6.642 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -6.695 0.574 -6.963 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.845 -1.527 -4.070 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -5.070 1.342 -5.554 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -6.557 -1.682 -1.981 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.788 1.190 -3.471 1.00 1.36 H new ATOM 0 HZ PHE A 86 -4.527 -0.321 -1.680 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.519 0.639 -3.894 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.869 1.147 -2.566 1.00 0.57 C ATOM 1398 C ARG A 87 -9.544 0.122 -1.487 1.00 0.57 C ATOM 1399 O ARG A 87 -9.846 -1.060 -1.646 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.367 1.464 -2.510 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.783 2.602 -3.429 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.063 2.278 -4.192 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.210 2.080 -3.311 1.00 1.36 N ATOM 1404 CZ ARG A 87 -15.442 1.805 -3.747 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -15.714 1.820 -5.049 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -16.425 1.643 -2.870 1.00 2.41 N ATOM 0 H ARG A 87 -9.744 -0.346 -4.034 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.286 2.050 -2.386 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.929 0.569 -2.776 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.638 1.718 -1.485 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -11.930 3.508 -2.841 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -10.981 2.809 -4.137 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.281 3.088 -4.888 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.908 1.378 -4.788 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.062 2.156 -2.305 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.980 2.042 -5.721 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -16.657 1.609 -5.375 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -16.237 1.729 -1.871 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -17.369 1.433 -3.195 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.959 0.574 -0.379 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.639 -0.304 0.742 1.00 0.54 C ATOM 1422 C ILE A 88 -9.371 0.177 1.991 1.00 0.59 C ATOM 1423 O ILE A 88 -9.213 1.321 2.405 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.118 -0.390 1.057 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.389 0.895 0.659 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.495 -1.601 0.388 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.956 0.957 1.159 1.00 0.74 C ATOM 0 H ILE A 88 -8.696 1.549 -0.235 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.962 -1.303 0.449 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.010 -0.506 2.135 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.391 0.983 -0.427 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.939 1.751 1.049 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.431 -1.639 0.623 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.980 -2.507 0.751 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.626 -1.528 -0.692 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.500 1.894 0.841 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.948 0.901 2.248 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.391 0.120 0.748 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.202 -0.674 2.575 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.957 -0.278 3.758 1.00 0.74 C ATOM 1441 C LYS A 89 -11.012 -1.411 4.770 1.00 0.85 C ATOM 1442 O LYS A 89 -10.895 -2.589 4.418 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.395 0.162 3.399 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.405 -0.977 3.348 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.757 -0.517 3.859 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.735 -1.668 4.021 1.00 1.89 C ATOM 1447 NZ LYS A 89 -17.078 -1.196 4.459 1.00 2.46 N ATOM 0 H LYS A 89 -10.370 -1.628 2.257 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.436 0.573 4.197 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.731 0.897 4.130 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.378 0.661 2.430 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -13.501 -1.339 2.324 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -13.048 -1.813 3.949 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.629 -0.015 4.818 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -15.174 0.216 3.168 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.828 -2.202 3.075 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.344 -2.378 4.750 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -17.717 -2.011 4.558 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.993 -0.709 5.374 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -17.463 -0.539 3.751 1.00 2.46 H new ATOM 1461 N PRO A 90 -11.194 -1.067 6.045 1.00 1.06 N ATOM 1462 CA PRO A 90 -11.282 -2.056 7.114 1.00 1.30 C ATOM 1463 C PRO A 90 -12.645 -2.756 7.131 1.00 1.47 C ATOM 1464 O PRO A 90 -13.549 -2.341 7.853 1.00 1.94 O ATOM 1465 CB PRO A 90 -11.092 -1.209 8.371 1.00 1.59 C ATOM 1466 CG PRO A 90 -11.640 0.126 8.006 1.00 1.77 C ATOM 1467 CD PRO A 90 -11.326 0.311 6.553 1.00 1.29 C ATOM 0 HA PRO A 90 -10.552 -2.859 7.009 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -11.622 -1.637 9.222 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -10.041 -1.144 8.651 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -12.715 0.169 8.183 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -11.186 0.913 8.608 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.119 0.853 6.038 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.407 0.880 6.411 1.00 1.29 H new ATOM 1475 N LYS A 91 -12.789 -3.801 6.308 1.00 1.40 N ATOM 1476 CA LYS A 91 -14.052 -4.540 6.207 1.00 1.72 C ATOM 1477 C LYS A 91 -14.521 -5.085 7.564 1.00 2.02 C ATOM 1478 O LYS A 91 -15.265 -4.405 8.272 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.965 -5.657 5.163 1.00 1.95 C ATOM 1480 CG LYS A 91 -12.672 -6.440 5.188 1.00 2.50 C ATOM 1481 CD LYS A 91 -12.947 -7.927 5.079 1.00 2.94 C ATOM 1482 CE LYS A 91 -13.713 -8.250 3.814 1.00 3.58 C ATOM 1483 NZ LYS A 91 -14.333 -9.592 3.890 1.00 4.13 N ATOM 0 H LYS A 91 -12.047 -4.153 5.703 1.00 1.40 H new ATOM 0 HA LYS A 91 -14.805 -3.826 5.874 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -14.795 -6.346 5.317 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -14.092 -5.221 4.172 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -12.032 -6.122 4.365 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -12.132 -6.231 6.111 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -12.005 -8.475 5.087 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -13.517 -8.259 5.947 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -14.486 -7.498 3.652 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -13.040 -8.205 2.957 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -15.071 -9.675 3.162 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -13.607 -10.319 3.731 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -14.757 -9.726 4.830 1.00 4.13 H new ATOM 1497 N ASP A 92 -14.126 -6.297 7.936 1.00 2.34 N ATOM 1498 CA ASP A 92 -14.566 -6.861 9.201 1.00 2.92 C ATOM 1499 C ASP A 92 -13.428 -7.583 9.913 1.00 2.79 C ATOM 1500 O ASP A 92 -13.127 -8.737 9.609 1.00 3.27 O ATOM 1501 CB ASP A 92 -15.718 -7.833 8.962 1.00 3.81 C ATOM 1502 CG ASP A 92 -16.376 -8.316 10.242 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -16.126 -7.724 11.315 1.00 5.11 O ATOM 1504 OD2 ASP A 92 -17.164 -9.282 10.176 1.00 4.67 O ATOM 0 H ASP A 92 -13.511 -6.898 7.388 1.00 2.34 H new ATOM 0 HA ASP A 92 -14.900 -6.041 9.837 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -16.468 -7.349 8.337 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -15.347 -8.694 8.406 1.00 3.81 H new ATOM 1509 N PHE A 93 -12.817 -6.903 10.867 1.00 2.71 N ATOM 1510 CA PHE A 93 -11.732 -7.466 11.661 1.00 2.95 C ATOM 1511 C PHE A 93 -11.580 -6.668 12.947 1.00 3.05 C ATOM 1512 O PHE A 93 -11.968 -5.499 13.003 1.00 3.30 O ATOM 1513 CB PHE A 93 -10.396 -7.521 10.898 1.00 3.27 C ATOM 1514 CG PHE A 93 -9.947 -6.227 10.286 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -10.313 -5.872 8.999 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -9.140 -5.371 11.007 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -9.873 -4.683 8.443 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -8.701 -4.182 10.464 1.00 5.30 C ATOM 1519 CZ PHE A 93 -9.065 -3.837 9.179 1.00 5.69 C ATOM 0 H PHE A 93 -13.057 -5.943 11.116 1.00 2.71 H new ATOM 0 HA PHE A 93 -11.996 -8.498 11.891 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -9.621 -7.867 11.582 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -10.480 -8.267 10.107 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -10.948 -6.529 8.423 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -8.848 -5.636 12.012 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -10.160 -4.417 7.436 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -8.073 -3.522 11.044 1.00 5.30 H new ATOM 0 HZ PHE A 93 -8.720 -2.908 8.749 1.00 5.69 H new ATOM 1529 N GLU A 94 -11.036 -7.296 13.976 1.00 3.44 N ATOM 1530 CA GLU A 94 -10.855 -6.635 15.262 1.00 3.96 C ATOM 1531 C GLU A 94 -9.450 -6.878 15.788 1.00 3.75 C ATOM 1532 O GLU A 94 -8.802 -7.850 15.390 1.00 4.15 O ATOM 1533 CB GLU A 94 -11.892 -7.144 16.262 1.00 4.82 C ATOM 1534 CG GLU A 94 -12.045 -6.272 17.493 1.00 5.73 C ATOM 1535 CD GLU A 94 -13.381 -6.472 18.167 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -13.657 -7.598 18.631 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -14.176 -5.511 18.213 1.00 7.20 O ATOM 0 H GLU A 94 -10.711 -8.263 13.948 1.00 3.44 H new ATOM 0 HA GLU A 94 -10.993 -5.562 15.128 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -12.857 -7.220 15.761 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -11.615 -8.151 16.575 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -11.246 -6.498 18.199 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -11.935 -5.225 17.211 1.00 5.73 H new ATOM 1544 N THR A 95 -8.978 -5.977 16.651 1.00 3.56 N ATOM 1545 CA THR A 95 -7.637 -6.053 17.212 1.00 3.57 C ATOM 1546 C THR A 95 -6.635 -5.854 16.079 1.00 3.11 C ATOM 1547 O THR A 95 -5.771 -6.694 15.823 1.00 3.46 O ATOM 1548 CB THR A 95 -7.421 -7.385 17.959 1.00 4.37 C ATOM 1549 OG1 THR A 95 -8.531 -7.665 18.794 1.00 4.92 O ATOM 1550 CG2 THR A 95 -6.197 -7.392 18.849 1.00 4.79 C ATOM 0 H THR A 95 -9.518 -5.176 16.978 1.00 3.56 H new ATOM 0 HA THR A 95 -7.494 -5.268 17.954 1.00 3.57 H new ATOM 0 HB THR A 95 -7.291 -8.132 17.176 1.00 4.37 H new ATOM 0 HG1 THR A 95 -8.383 -8.514 19.261 1.00 4.92 H new ATOM 0 HG21 THR A 95 -6.111 -8.361 19.341 1.00 4.79 H new ATOM 0 HG22 THR A 95 -5.307 -7.211 18.246 1.00 4.79 H new ATOM 0 HG23 THR A 95 -6.290 -6.610 19.602 1.00 4.79 H new ATOM 1558 N SER A 96 -6.794 -4.714 15.397 1.00 2.83 N ATOM 1559 CA SER A 96 -5.966 -4.301 14.259 1.00 2.92 C ATOM 1560 C SER A 96 -6.308 -2.848 13.822 1.00 2.63 C ATOM 1561 O SER A 96 -5.529 -2.205 13.119 1.00 2.95 O ATOM 1562 CB SER A 96 -6.178 -5.241 13.068 1.00 3.49 C ATOM 1563 OG SER A 96 -5.543 -6.497 13.270 1.00 4.05 O ATOM 0 H SER A 96 -7.521 -4.036 15.627 1.00 2.83 H new ATOM 0 HA SER A 96 -4.925 -4.345 14.578 1.00 2.92 H new ATOM 0 HB2 SER A 96 -7.246 -5.394 12.911 1.00 3.49 H new ATOM 0 HB3 SER A 96 -5.786 -4.776 12.163 1.00 3.49 H new ATOM 0 HG SER A 96 -5.220 -6.555 14.193 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.489 -2.360 14.220 1.00 2.52 N ATOM 1570 CA GLU A 97 -7.966 -1.022 13.871 1.00 2.71 C ATOM 1571 C GLU A 97 -6.945 0.049 14.239 1.00 2.41 C ATOM 1572 O GLU A 97 -6.755 1.017 13.501 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.286 -0.706 14.590 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.367 -1.766 14.437 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.298 -2.841 15.506 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -9.254 -3.508 15.623 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -11.286 -3.019 16.239 1.00 4.86 O ATOM 0 H GLU A 97 -8.143 -2.889 14.797 1.00 2.52 H new ATOM 0 HA GLU A 97 -8.121 -1.014 12.792 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -9.081 -0.567 15.651 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.671 0.242 14.213 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -11.346 -1.287 14.473 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -10.276 -2.231 13.455 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.284 -0.135 15.376 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.286 0.822 15.835 1.00 1.95 C ATOM 1586 C TYR A 98 -4.137 0.948 14.843 1.00 1.56 C ATOM 1587 O TYR A 98 -3.705 2.059 14.536 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.757 0.459 17.219 1.00 2.16 C ATOM 1589 CG TYR A 98 -5.794 0.566 18.306 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -6.854 -0.326 18.372 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -5.701 1.553 19.273 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -7.793 -0.236 19.375 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -6.639 1.651 20.280 1.00 4.46 C ATOM 1594 CZ TYR A 98 -7.680 0.753 20.327 1.00 4.66 C ATOM 1595 OH TYR A 98 -8.605 0.838 21.336 1.00 5.65 O ATOM 0 H TYR A 98 -6.421 -0.935 15.994 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.782 1.790 15.905 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -4.370 -0.560 17.196 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.919 1.112 17.462 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -6.944 -1.102 17.626 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.882 2.256 19.238 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -8.614 -0.937 19.415 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -6.557 2.427 21.026 1.00 4.46 H new ATOM 0 HH TYR A 98 -8.380 1.589 21.924 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.658 -0.175 14.308 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.581 -0.118 13.323 1.00 1.34 C ATOM 1607 C VAL A 99 -3.144 0.368 11.992 1.00 1.17 C ATOM 1608 O VAL A 99 -2.440 0.973 11.192 1.00 1.04 O ATOM 1609 CB VAL A 99 -1.866 -1.478 13.111 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -1.690 -2.204 14.431 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -2.589 -2.354 12.095 1.00 1.76 C ATOM 0 H VAL A 99 -3.989 -1.113 14.533 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.833 0.574 13.711 1.00 1.34 H new ATOM 0 HB VAL A 99 -0.879 -1.265 12.701 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -1.186 -3.155 14.259 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -1.090 -1.593 15.105 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -2.667 -2.386 14.879 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -2.052 -3.296 11.979 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -3.602 -2.554 12.443 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -2.630 -1.839 11.135 1.00 1.76 H new ATOM 1621 N ARG A 100 -4.427 0.099 11.771 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.106 0.501 10.554 1.00 1.42 C ATOM 1623 C ARG A 100 -5.236 2.023 10.484 1.00 1.31 C ATOM 1624 O ARG A 100 -4.959 2.623 9.451 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.482 -0.172 10.467 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.364 0.379 9.359 1.00 2.37 C ATOM 1627 CD ARG A 100 -8.494 1.215 9.932 1.00 3.01 C ATOM 1628 NE ARG A 100 -9.457 0.394 10.660 1.00 3.48 N ATOM 1629 CZ ARG A 100 -10.440 0.892 11.404 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -10.336 2.130 11.873 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -11.315 0.065 11.954 1.00 4.93 N ATOM 0 H ARG A 100 -5.020 -0.403 12.432 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.511 0.177 9.700 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.344 -1.242 10.311 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.996 -0.053 11.421 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -6.765 0.986 8.680 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.775 -0.443 8.773 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -8.084 1.973 10.599 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -9.002 1.742 9.125 1.00 3.01 H new ATOM 0 HE ARG A 100 -9.371 -0.620 10.594 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -9.509 2.688 11.661 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -11.083 2.523 12.445 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -11.230 -0.940 11.805 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -12.074 0.433 12.527 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.646 2.646 11.588 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.795 4.100 11.627 1.00 1.43 C ATOM 1647 C LYS A 101 -4.423 4.769 11.556 1.00 1.27 C ATOM 1648 O LYS A 101 -4.288 5.928 11.152 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.554 4.536 12.884 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.007 5.986 12.833 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.076 6.280 13.874 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.412 5.662 13.496 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.476 6.027 14.472 1.00 3.24 N ATOM 0 H LYS A 101 -5.879 2.172 12.460 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.379 4.415 10.762 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -7.425 3.894 13.017 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.915 4.391 13.755 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.151 6.640 12.996 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.395 6.211 11.840 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.757 5.894 14.842 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.191 7.358 13.983 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.700 5.997 12.499 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -9.313 4.577 13.452 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.375 5.590 14.185 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.211 5.686 15.418 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.586 7.061 14.495 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.394 4.002 11.897 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.024 4.482 11.814 1.00 1.11 C ATOM 1669 C ALA A 102 -1.660 4.628 10.347 1.00 0.99 C ATOM 1670 O ALA A 102 -0.927 5.537 9.957 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.060 3.522 12.502 1.00 1.22 C ATOM 0 H ALA A 102 -3.485 3.044 12.234 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.946 5.443 12.323 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.044 3.908 12.423 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.331 3.426 13.553 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.115 2.545 12.022 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.212 3.731 9.529 1.00 0.97 N ATOM 1678 CA TRP A 103 -1.978 3.767 8.095 1.00 1.01 C ATOM 1679 C TRP A 103 -2.559 5.035 7.503 1.00 0.93 C ATOM 1680 O TRP A 103 -1.946 5.661 6.651 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.577 2.550 7.387 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.676 1.358 7.382 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.328 0.579 8.444 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.986 0.825 6.249 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.475 -0.414 8.039 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.252 -0.286 6.692 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.938 1.166 4.899 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.546 -1.036 5.835 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.150 0.424 4.047 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.576 -0.676 4.510 1.00 0.98 C ATOM 0 H TRP A 103 -2.822 2.975 9.839 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.899 3.748 7.941 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.516 2.283 7.872 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.815 2.819 6.358 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.674 0.723 9.457 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.072 -1.132 8.641 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.511 2.001 4.525 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 1.123 -1.873 6.199 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.092 0.697 3.004 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.170 -1.252 3.816 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.734 5.424 7.987 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.398 6.640 7.523 1.00 1.12 C ATOM 1703 C LEU A 104 -3.559 7.861 7.871 1.00 1.10 C ATOM 1704 O LEU A 104 -3.523 8.840 7.126 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.782 6.788 8.157 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.917 6.029 7.466 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.746 4.518 7.608 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -8.264 6.483 8.010 1.00 2.27 C ATOM 0 H LEU A 104 -4.249 4.913 8.704 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.512 6.565 6.442 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.724 6.453 9.193 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.039 7.847 8.179 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.880 6.259 6.401 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.569 4.010 7.106 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -5.802 4.215 7.155 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -6.744 4.250 8.664 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -9.062 5.935 7.509 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -8.308 6.289 9.082 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -8.388 7.551 7.829 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.882 7.789 9.007 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.036 8.884 9.459 1.00 1.18 C ATOM 1722 C ARG A 105 -0.835 9.027 8.539 1.00 1.08 C ATOM 1723 O ARG A 105 -0.503 10.132 8.112 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.575 8.661 10.904 1.00 1.38 C ATOM 1725 CG ARG A 105 -0.517 9.650 11.374 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.546 9.802 12.881 1.00 2.29 C ATOM 1727 NE ARG A 105 -1.756 10.505 13.311 1.00 2.86 N ATOM 1728 CZ ARG A 105 -1.930 11.822 13.188 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -0.875 12.610 13.031 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -3.091 12.365 13.523 1.00 4.52 N ATOM 0 H ARG A 105 -2.902 6.984 9.633 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.620 9.804 9.428 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -2.439 8.727 11.565 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.179 7.650 10.997 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.469 9.310 11.058 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.686 10.619 10.904 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -0.505 8.819 13.351 1.00 2.29 H new ATOM 0 HD3 ARG A 105 0.336 10.351 13.212 1.00 2.29 H new ATOM 0 HE ARG A 105 -2.508 9.957 13.728 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.062 12.208 13.005 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -1.001 13.618 12.936 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -3.847 11.777 13.873 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -3.229 13.371 13.431 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.195 7.906 8.229 1.00 0.95 N ATOM 1745 CA ASP A 106 0.968 7.910 7.350 1.00 0.99 C ATOM 1746 C ASP A 106 0.551 8.282 5.934 1.00 0.96 C ATOM 1747 O ASP A 106 1.245 9.030 5.257 1.00 1.17 O ATOM 1748 CB ASP A 106 1.690 6.564 7.390 1.00 1.09 C ATOM 1749 CG ASP A 106 3.095 6.658 6.828 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.841 7.573 7.236 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.478 5.796 6.019 1.00 1.76 O ATOM 0 H ASP A 106 -0.461 6.983 8.573 1.00 0.95 H new ATOM 0 HA ASP A 106 1.673 8.662 7.704 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.734 6.206 8.419 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.120 5.829 6.821 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.602 7.771 5.511 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.148 8.063 4.187 1.00 1.04 C ATOM 1758 C ILE A 107 -1.394 9.570 4.036 1.00 1.23 C ATOM 1759 O ILE A 107 -1.164 10.148 2.978 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.454 7.270 3.953 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.126 5.803 3.666 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.285 7.858 2.823 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -3.338 4.949 3.358 1.00 1.45 C ATOM 0 H ILE A 107 -1.182 7.147 6.072 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.423 7.754 3.434 1.00 1.04 H new ATOM 0 HB ILE A 107 -3.052 7.339 4.862 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -1.436 5.754 2.823 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.607 5.382 4.527 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.193 7.269 2.694 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.551 8.887 3.065 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.707 7.840 1.899 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -3.021 3.924 3.166 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -4.020 4.965 4.208 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -3.846 5.343 2.478 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.842 10.208 5.113 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.079 11.647 5.099 1.00 1.52 C ATOM 1777 C ALA A 108 -0.738 12.357 4.987 1.00 1.59 C ATOM 1778 O ALA A 108 -0.477 13.085 4.031 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.825 12.070 6.355 1.00 1.62 C ATOM 0 H ALA A 108 -2.047 9.753 6.003 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.699 11.918 4.245 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.995 13.146 6.332 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.783 11.552 6.401 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.232 11.815 7.233 1.00 1.62 H new ATOM 1785 N GLU A 109 0.122 12.083 5.963 1.00 1.39 N ATOM 1786 CA GLU A 109 1.481 12.625 6.005 1.00 1.50 C ATOM 1787 C GLU A 109 2.389 11.832 5.053 1.00 1.43 C ATOM 1788 O GLU A 109 3.508 11.460 5.409 1.00 1.70 O ATOM 1789 CB GLU A 109 2.017 12.544 7.439 1.00 1.69 C ATOM 1790 CG GLU A 109 1.018 13.032 8.477 1.00 1.73 C ATOM 1791 CD GLU A 109 1.447 12.763 9.903 1.00 2.07 C ATOM 1792 OE1 GLU A 109 2.556 12.232 10.116 1.00 2.56 O ATOM 1793 OE2 GLU A 109 0.664 13.081 10.823 1.00 2.40 O ATOM 0 H GLU A 109 -0.103 11.476 6.752 1.00 1.39 H new ATOM 0 HA GLU A 109 1.467 13.667 5.687 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.288 11.512 7.661 1.00 1.69 H new ATOM 0 HB3 GLU A 109 2.929 13.137 7.514 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.867 14.104 8.348 1.00 1.73 H new ATOM 0 HG3 GLU A 109 0.057 12.550 8.299 1.00 1.73 H new ATOM 1800 N GLU A 110 1.866 11.539 3.866 1.00 1.49 N ATOM 1801 CA GLU A 110 2.563 10.742 2.857 1.00 1.63 C ATOM 1802 C GLU A 110 3.814 11.430 2.343 1.00 1.78 C ATOM 1803 O GLU A 110 3.835 12.655 2.213 1.00 2.20 O ATOM 1804 CB GLU A 110 1.617 10.460 1.678 1.00 2.09 C ATOM 1805 CG GLU A 110 1.283 11.709 0.859 1.00 2.83 C ATOM 1806 CD GLU A 110 0.142 11.531 -0.126 1.00 3.38 C ATOM 1807 OE1 GLU A 110 0.261 10.711 -1.057 1.00 3.86 O ATOM 1808 OE2 GLU A 110 -0.881 12.236 0.023 1.00 3.86 O ATOM 0 H GLU A 110 0.940 11.850 3.573 1.00 1.49 H new ATOM 0 HA GLU A 110 2.869 9.810 3.332 1.00 1.63 H new ATOM 0 HB2 GLU A 110 2.073 9.717 1.024 1.00 2.09 H new ATOM 0 HB3 GLU A 110 0.693 10.025 2.059 1.00 2.09 H new ATOM 0 HG2 GLU A 110 1.032 12.520 1.543 1.00 2.83 H new ATOM 0 HG3 GLU A 110 2.174 12.018 0.312 1.00 2.83 H new ATOM 1815 N GLN A 111 4.824 10.598 2.027 1.00 1.93 N ATOM 1816 CA GLN A 111 6.110 11.018 1.479 1.00 2.44 C ATOM 1817 C GLN A 111 6.412 12.478 1.753 1.00 2.84 C ATOM 1818 O GLN A 111 6.069 13.353 0.972 1.00 3.22 O ATOM 1819 CB GLN A 111 6.109 10.746 -0.018 1.00 2.97 C ATOM 1820 CG GLN A 111 7.476 10.830 -0.656 1.00 3.66 C ATOM 1821 CD GLN A 111 7.478 10.212 -2.037 1.00 4.54 C ATOM 1822 OE1 GLN A 111 7.537 8.997 -2.176 1.00 5.12 O ATOM 1823 NE2 GLN A 111 7.380 11.035 -3.068 1.00 5.02 N ATOM 0 H GLN A 111 4.757 9.588 2.153 1.00 1.93 H new ATOM 0 HA GLN A 111 6.896 10.446 1.972 1.00 2.44 H new ATOM 0 HB2 GLN A 111 5.696 9.753 -0.197 1.00 2.97 H new ATOM 0 HB3 GLN A 111 5.446 11.460 -0.507 1.00 2.97 H new ATOM 0 HG2 GLN A 111 7.785 11.873 -0.722 1.00 3.66 H new ATOM 0 HG3 GLN A 111 8.205 10.320 -0.026 1.00 3.66 H new ATOM 0 HE21 GLN A 111 7.333 12.042 -2.914 1.00 5.02 H new ATOM 0 HE22 GLN A 111 7.351 10.662 -4.017 1.00 5.02 H new