USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 170:sc= -0.043 USER MOD Single : A 32 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-0.83) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.03) USER MOD Single : A 37 THR OG1 : rot -125:sc= 0.868 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -124:sc= -0.487 (180deg=-4.34) USER MOD Single : A 59 THR OG1 : rot -130:sc= -0.275 USER MOD Single : A 66 SER OG : rot 170:sc= -0.277 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= -0.0719 (180deg=-0.656) USER MOD Single : A 77 THR OG1 : rot 80:sc= 0.358 USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= -0.0907 (180deg=-0.601) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.462 K(o=-0.46,f=-5.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 153:sc= 0.395 USER MOD Single : A 93 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.78) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 10.526 6.869 4.313 1.00 0.00 N ATOM 129 CA ALA A 9 10.793 7.186 2.878 1.00 0.00 C ATOM 130 C ALA A 9 10.794 5.893 2.054 1.00 0.00 C ATOM 131 O ALA A 9 10.250 5.841 0.966 1.00 0.00 O ATOM 132 CB ALA A 9 12.175 7.844 2.856 1.00 0.00 C ATOM 0 HA ALA A 9 10.034 7.841 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.438 8.105 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.158 8.747 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.915 7.150 3.255 1.00 0.00 H new ATOM 138 N VAL A 10 11.383 4.841 2.577 1.00 0.00 N ATOM 139 CA VAL A 10 11.398 3.541 1.835 1.00 0.00 C ATOM 140 C VAL A 10 9.966 3.005 1.733 1.00 0.00 C ATOM 141 O VAL A 10 9.560 2.488 0.710 1.00 0.00 O ATOM 142 CB VAL A 10 12.279 2.598 2.667 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.306 1.209 2.022 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.708 3.151 2.731 1.00 0.00 C ATOM 0 H VAL A 10 11.852 4.828 3.483 1.00 0.00 H new ATOM 0 HA VAL A 10 11.785 3.641 0.821 1.00 0.00 H new ATOM 0 HB VAL A 10 11.868 2.524 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.933 0.544 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.293 0.809 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.712 1.284 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.332 2.480 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.114 3.229 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.696 4.138 3.194 1.00 0.00 H new ATOM 154 N ALA A 11 9.196 3.150 2.783 1.00 0.00 N ATOM 155 CA ALA A 11 7.782 2.677 2.752 1.00 0.00 C ATOM 156 C ALA A 11 6.983 3.519 1.751 1.00 0.00 C ATOM 157 O ALA A 11 6.149 3.008 1.024 1.00 0.00 O ATOM 158 CB ALA A 11 7.255 2.883 4.175 1.00 0.00 C ATOM 0 H ALA A 11 9.489 3.577 3.662 1.00 0.00 H new ATOM 0 HA ALA A 11 7.696 1.635 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.217 2.556 4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.856 2.300 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.317 3.939 4.437 1.00 0.00 H new ATOM 164 N ALA A 12 7.248 4.805 1.699 1.00 0.00 N ATOM 165 CA ALA A 12 6.527 5.688 0.738 1.00 0.00 C ATOM 166 C ALA A 12 6.860 5.274 -0.699 1.00 0.00 C ATOM 167 O ALA A 12 5.998 5.245 -1.556 1.00 0.00 O ATOM 168 CB ALA A 12 7.039 7.102 1.027 1.00 0.00 C ATOM 0 H ALA A 12 7.936 5.278 2.285 1.00 0.00 H new ATOM 0 HA ALA A 12 5.444 5.624 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.552 7.810 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.813 7.367 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.117 7.138 0.871 1.00 0.00 H new ATOM 174 N ALA A 13 8.102 4.937 -0.964 1.00 0.00 N ATOM 175 CA ALA A 13 8.486 4.506 -2.341 1.00 0.00 C ATOM 176 C ALA A 13 7.743 3.216 -2.703 1.00 0.00 C ATOM 177 O ALA A 13 7.251 3.064 -3.806 1.00 0.00 O ATOM 178 CB ALA A 13 9.997 4.269 -2.285 1.00 0.00 C ATOM 0 H ALA A 13 8.863 4.943 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 13 8.229 5.248 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.352 3.949 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.500 5.193 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.217 3.496 -1.549 1.00 0.00 H new ATOM 184 N VAL A 14 7.641 2.293 -1.774 1.00 0.00 N ATOM 185 CA VAL A 14 6.909 1.020 -2.058 1.00 0.00 C ATOM 186 C VAL A 14 5.425 1.333 -2.302 1.00 0.00 C ATOM 187 O VAL A 14 4.797 0.764 -3.175 1.00 0.00 O ATOM 188 CB VAL A 14 7.089 0.149 -0.806 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.370 -1.190 -0.999 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.581 -0.114 -0.566 1.00 0.00 C ATOM 0 H VAL A 14 8.032 2.368 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 14 7.285 0.509 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 14 6.667 0.672 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.500 -1.805 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.307 -1.012 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.790 -1.707 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.703 -0.732 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.003 -0.631 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.099 0.834 -0.423 1.00 0.00 H new ATOM 200 N ALA A 15 4.872 2.253 -1.545 1.00 0.00 N ATOM 201 CA ALA A 15 3.438 2.629 -1.735 1.00 0.00 C ATOM 202 C ALA A 15 3.244 3.261 -3.120 1.00 0.00 C ATOM 203 O ALA A 15 2.241 3.042 -3.775 1.00 0.00 O ATOM 204 CB ALA A 15 3.135 3.644 -0.630 1.00 0.00 C ATOM 0 H ALA A 15 5.355 2.759 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 15 2.773 1.767 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.097 3.966 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.301 3.182 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.792 4.507 -0.739 1.00 0.00 H new ATOM 210 N SER A 16 4.205 4.035 -3.574 1.00 0.00 N ATOM 211 CA SER A 16 4.090 4.669 -4.923 1.00 0.00 C ATOM 212 C SER A 16 4.139 3.585 -6.006 1.00 0.00 C ATOM 213 O SER A 16 3.416 3.641 -6.984 1.00 0.00 O ATOM 214 CB SER A 16 5.297 5.605 -5.039 1.00 0.00 C ATOM 215 OG SER A 16 5.022 6.607 -6.012 1.00 0.00 O ATOM 0 H SER A 16 5.062 4.253 -3.066 1.00 0.00 H new ATOM 0 HA SER A 16 3.153 5.212 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.508 6.066 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.185 5.040 -5.323 1.00 0.00 H new ATOM 0 HG SER A 16 5.791 7.209 -6.088 1.00 0.00 H new ATOM 221 N LYS A 17 4.977 2.588 -5.829 1.00 0.00 N ATOM 222 CA LYS A 17 5.058 1.492 -6.839 1.00 0.00 C ATOM 223 C LYS A 17 3.742 0.701 -6.852 1.00 0.00 C ATOM 224 O LYS A 17 3.330 0.197 -7.879 1.00 0.00 O ATOM 225 CB LYS A 17 6.225 0.602 -6.400 1.00 0.00 C ATOM 226 CG LYS A 17 6.632 -0.310 -7.562 1.00 0.00 C ATOM 227 CD LYS A 17 7.617 0.425 -8.477 1.00 0.00 C ATOM 228 CE LYS A 17 8.132 -0.543 -9.548 1.00 0.00 C ATOM 229 NZ LYS A 17 8.351 0.290 -10.766 1.00 0.00 N ATOM 0 H LYS A 17 5.604 2.490 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 17 5.216 1.874 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.071 1.217 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.936 0.003 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.089 -1.222 -7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.750 -0.610 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.128 1.278 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.450 0.817 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.057 -1.024 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.410 -1.336 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.704 -0.310 -11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.453 0.730 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.049 1.032 -10.558 1.00 0.00 H new ATOM 243 N ILE A 18 3.070 0.607 -5.724 1.00 0.00 N ATOM 244 CA ILE A 18 1.770 -0.128 -5.684 1.00 0.00 C ATOM 245 C ILE A 18 0.766 0.578 -6.603 1.00 0.00 C ATOM 246 O ILE A 18 0.146 -0.040 -7.444 1.00 0.00 O ATOM 247 CB ILE A 18 1.300 -0.073 -4.219 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.090 -1.084 -3.375 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.196 -0.405 -4.138 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.710 -2.515 -3.776 1.00 0.00 C ATOM 0 H ILE A 18 3.368 1.008 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 18 1.864 -1.159 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 18 1.471 0.932 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.160 -0.930 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.882 -0.927 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.522 -0.364 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.762 0.319 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.368 -1.406 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.276 -3.224 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.643 -2.668 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.941 -2.671 -4.830 1.00 0.00 H new ATOM 262 N VAL A 19 0.617 1.874 -6.454 1.00 0.00 N ATOM 263 CA VAL A 19 -0.338 2.628 -7.325 1.00 0.00 C ATOM 264 C VAL A 19 0.188 2.664 -8.768 1.00 0.00 C ATOM 265 O VAL A 19 -0.569 2.564 -9.714 1.00 0.00 O ATOM 266 CB VAL A 19 -0.404 4.042 -6.729 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.104 4.991 -7.709 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.195 4.009 -5.416 1.00 0.00 C ATOM 0 H VAL A 19 1.115 2.440 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.324 2.165 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 19 0.610 4.395 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.147 5.992 -7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.547 5.022 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.116 4.635 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.241 5.013 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.206 3.650 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.701 3.341 -4.710 1.00 0.00 H new ATOM 278 N GLY A 20 1.482 2.798 -8.937 1.00 0.00 N ATOM 279 CA GLY A 20 2.067 2.833 -10.313 1.00 0.00 C ATOM 280 C GLY A 20 1.933 1.454 -10.978 1.00 0.00 C ATOM 281 O GLY A 20 1.865 1.350 -12.188 1.00 0.00 O ATOM 0 H GLY A 20 2.159 2.885 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.558 3.586 -10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.117 3.121 -10.263 1.00 0.00 H new ATOM 285 N LEU A 21 1.899 0.395 -10.199 1.00 0.00 N ATOM 286 CA LEU A 21 1.774 -0.975 -10.787 1.00 0.00 C ATOM 287 C LEU A 21 0.456 -1.640 -10.349 1.00 0.00 C ATOM 288 O LEU A 21 0.403 -2.836 -10.117 1.00 0.00 O ATOM 289 CB LEU A 21 2.977 -1.745 -10.233 1.00 0.00 C ATOM 290 CG LEU A 21 3.377 -2.854 -11.209 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.534 -2.371 -12.088 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.819 -4.092 -10.424 1.00 0.00 C ATOM 0 H LEU A 21 1.953 0.424 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 21 1.760 -0.955 -11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.815 -1.065 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.730 -2.174 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 21 2.523 -3.106 -11.838 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.818 -3.162 -12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.222 -1.490 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.387 -2.117 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.104 -4.881 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.672 -3.838 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.997 -4.439 -9.798 1.00 0.00 H new ATOM 304 N TRP A 22 -0.604 -0.880 -10.232 1.00 0.00 N ATOM 305 CA TRP A 22 -1.910 -1.470 -9.809 1.00 0.00 C ATOM 306 C TRP A 22 -2.849 -1.646 -11.013 1.00 0.00 C ATOM 307 O TRP A 22 -3.002 -0.760 -11.832 1.00 0.00 O ATOM 308 CB TRP A 22 -2.497 -0.466 -8.810 1.00 0.00 C ATOM 309 CG TRP A 22 -3.877 -0.892 -8.404 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.246 -2.160 -8.110 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.071 -0.072 -8.246 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.590 -2.170 -7.789 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.142 -0.908 -7.856 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.327 1.303 -8.403 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.422 -0.400 -7.629 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.613 1.817 -8.175 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.658 0.967 -7.789 1.00 0.00 C ATOM 0 H TRP A 22 -0.621 0.124 -10.411 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.783 -2.460 -9.370 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -1.856 -0.398 -7.931 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.531 0.527 -9.258 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.597 -3.023 -8.124 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.111 -3.009 -7.533 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.529 1.967 -8.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.224 -1.059 -7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.798 2.874 -8.298 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.645 1.369 -7.615 1.00 0.00 H new ATOM 328 N ARG A 23 -3.494 -2.781 -11.101 1.00 0.00 N ATOM 329 CA ARG A 23 -4.450 -3.035 -12.220 1.00 0.00 C ATOM 330 C ARG A 23 -5.880 -2.783 -11.718 1.00 0.00 C ATOM 331 O ARG A 23 -6.071 -2.168 -10.686 1.00 0.00 O ATOM 332 CB ARG A 23 -4.237 -4.511 -12.583 1.00 0.00 C ATOM 333 CG ARG A 23 -4.647 -4.755 -14.040 1.00 0.00 C ATOM 334 CD ARG A 23 -3.430 -5.211 -14.852 1.00 0.00 C ATOM 335 NE ARG A 23 -3.094 -4.053 -15.728 1.00 0.00 N ATOM 336 CZ ARG A 23 -3.444 -4.061 -16.987 1.00 0.00 C ATOM 337 NH1 ARG A 23 -4.645 -3.674 -17.334 1.00 0.00 N ATOM 338 NH2 ARG A 23 -2.594 -4.456 -17.897 1.00 0.00 N ATOM 0 H ARG A 23 -3.398 -3.550 -10.438 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.294 -2.389 -13.084 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.191 -4.782 -12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.824 -5.146 -11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.430 -5.512 -14.085 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.061 -3.842 -14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.595 -5.468 -14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.659 -6.098 -15.442 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.590 -3.253 -15.344 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.307 -3.366 -16.622 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.919 -3.680 -18.317 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.659 -4.758 -17.624 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.866 -4.463 -18.880 1.00 0.00 H new ATOM 352 N ASN A 24 -6.884 -3.246 -12.427 1.00 0.00 N ATOM 353 CA ASN A 24 -8.294 -3.026 -11.963 1.00 0.00 C ATOM 354 C ASN A 24 -8.424 -3.416 -10.483 1.00 0.00 C ATOM 355 O ASN A 24 -8.989 -2.688 -9.688 1.00 0.00 O ATOM 356 CB ASN A 24 -9.157 -3.942 -12.837 1.00 0.00 C ATOM 357 CG ASN A 24 -9.674 -3.161 -14.048 1.00 0.00 C ATOM 358 OD1 ASN A 24 -9.194 -3.341 -15.149 1.00 0.00 O ATOM 359 ND2 ASN A 24 -10.637 -2.294 -13.890 1.00 0.00 N ATOM 0 H ASN A 24 -6.790 -3.763 -13.301 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.599 -1.983 -12.051 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.573 -4.801 -13.168 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.995 -4.330 -12.258 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.986 -1.768 -14.691 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.040 -2.143 -12.965 1.00 0.00 H new ATOM 366 N GLU A 25 -7.883 -4.555 -10.113 1.00 0.00 N ATOM 367 CA GLU A 25 -7.946 -5.005 -8.685 1.00 0.00 C ATOM 368 C GLU A 25 -6.811 -5.998 -8.384 1.00 0.00 C ATOM 369 O GLU A 25 -6.971 -6.917 -7.604 1.00 0.00 O ATOM 370 CB GLU A 25 -9.319 -5.680 -8.527 1.00 0.00 C ATOM 371 CG GLU A 25 -9.460 -6.850 -9.515 1.00 0.00 C ATOM 372 CD GLU A 25 -9.266 -8.187 -8.785 1.00 0.00 C ATOM 373 OE1 GLU A 25 -9.936 -8.405 -7.786 1.00 0.00 O ATOM 374 OE2 GLU A 25 -8.451 -8.976 -9.240 1.00 0.00 O ATOM 0 H GLU A 25 -7.398 -5.195 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.827 -4.173 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.438 -6.042 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.111 -4.952 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.444 -6.823 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.724 -6.753 -10.313 1.00 0.00 H new ATOM 381 N LYS A 26 -5.665 -5.822 -8.998 1.00 0.00 N ATOM 382 CA LYS A 26 -4.527 -6.762 -8.750 1.00 0.00 C ATOM 383 C LYS A 26 -3.189 -6.013 -8.710 1.00 0.00 C ATOM 384 O LYS A 26 -3.007 -5.005 -9.366 1.00 0.00 O ATOM 385 CB LYS A 26 -4.560 -7.732 -9.935 1.00 0.00 C ATOM 386 CG LYS A 26 -3.649 -8.934 -9.652 1.00 0.00 C ATOM 387 CD LYS A 26 -4.493 -10.118 -9.168 1.00 0.00 C ATOM 388 CE LYS A 26 -4.189 -11.351 -10.029 1.00 0.00 C ATOM 389 NZ LYS A 26 -4.386 -12.520 -9.123 1.00 0.00 N ATOM 0 H LYS A 26 -5.469 -5.070 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.622 -7.270 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.581 -8.072 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.234 -7.223 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.103 -9.209 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.907 -8.671 -8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.275 -10.330 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.553 -9.871 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.855 -11.404 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.170 -11.320 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.195 -13.399 -9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.734 -12.448 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.366 -12.529 -8.776 1.00 0.00 H new ATOM 403 N THR A 27 -2.249 -6.518 -7.951 1.00 0.00 N ATOM 404 CA THR A 27 -0.903 -5.870 -7.856 1.00 0.00 C ATOM 405 C THR A 27 0.149 -6.939 -7.537 1.00 0.00 C ATOM 406 O THR A 27 -0.185 -8.041 -7.154 1.00 0.00 O ATOM 407 CB THR A 27 -1.020 -4.846 -6.712 1.00 0.00 C ATOM 408 OG1 THR A 27 0.269 -4.339 -6.394 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.625 -5.507 -5.470 1.00 0.00 C ATOM 0 H THR A 27 -2.357 -7.361 -7.387 1.00 0.00 H new ATOM 0 HA THR A 27 -0.601 -5.384 -8.784 1.00 0.00 H new ATOM 0 HB THR A 27 -1.668 -4.031 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.180 -3.577 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.702 -4.773 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.617 -5.890 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.986 -6.330 -5.148 1.00 0.00 H new ATOM 417 N GLU A 28 1.410 -6.632 -7.693 1.00 0.00 N ATOM 418 CA GLU A 28 2.463 -7.649 -7.394 1.00 0.00 C ATOM 419 C GLU A 28 3.523 -7.061 -6.457 1.00 0.00 C ATOM 420 O GLU A 28 4.235 -6.143 -6.815 1.00 0.00 O ATOM 421 CB GLU A 28 3.077 -8.003 -8.749 1.00 0.00 C ATOM 422 CG GLU A 28 4.002 -9.214 -8.590 1.00 0.00 C ATOM 423 CD GLU A 28 4.786 -9.443 -9.884 1.00 0.00 C ATOM 424 OE1 GLU A 28 5.420 -8.508 -10.346 1.00 0.00 O ATOM 425 OE2 GLU A 28 4.742 -10.551 -10.392 1.00 0.00 O ATOM 0 H GLU A 28 1.756 -5.727 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 28 2.053 -8.527 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.290 -8.225 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.637 -7.153 -9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.691 -9.050 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.416 -10.101 -8.347 1.00 0.00 H new ATOM 432 N LEU A 29 3.636 -7.589 -5.262 1.00 0.00 N ATOM 433 CA LEU A 29 4.655 -7.066 -4.303 1.00 0.00 C ATOM 434 C LEU A 29 5.879 -7.990 -4.276 1.00 0.00 C ATOM 435 O LEU A 29 5.777 -9.158 -3.952 1.00 0.00 O ATOM 436 CB LEU A 29 3.962 -7.048 -2.938 1.00 0.00 C ATOM 437 CG LEU A 29 3.286 -5.689 -2.723 1.00 0.00 C ATOM 438 CD1 LEU A 29 2.080 -5.854 -1.797 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.285 -4.718 -2.087 1.00 0.00 C ATOM 0 H LEU A 29 3.066 -8.359 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 29 5.010 -6.075 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.222 -7.846 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.689 -7.233 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 29 2.953 -5.296 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.602 -4.886 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.367 -6.545 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.410 -6.249 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.805 -3.751 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.617 -5.114 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.144 -4.596 -2.747 1.00 0.00 H new ATOM 451 N LEU A 30 7.034 -7.466 -4.618 1.00 0.00 N ATOM 452 CA LEU A 30 8.291 -8.287 -4.627 1.00 0.00 C ATOM 453 C LEU A 30 8.142 -9.520 -5.537 1.00 0.00 C ATOM 454 O LEU A 30 8.743 -10.551 -5.296 1.00 0.00 O ATOM 455 CB LEU A 30 8.508 -8.712 -3.171 1.00 0.00 C ATOM 456 CG LEU A 30 10.007 -8.756 -2.868 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.533 -7.332 -2.669 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.245 -9.570 -1.595 1.00 0.00 C ATOM 0 H LEU A 30 7.161 -6.493 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 30 9.136 -7.720 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.011 -8.012 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.062 -9.691 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 30 10.532 -9.222 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.601 -7.365 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.364 -6.752 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.009 -6.864 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.313 -9.602 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.719 -9.104 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.873 -10.585 -1.737 1.00 0.00 H new ATOM 470 N GLY A 31 7.349 -9.423 -6.577 1.00 0.00 N ATOM 471 CA GLY A 31 7.164 -10.589 -7.495 1.00 0.00 C ATOM 472 C GLY A 31 6.013 -11.481 -7.004 1.00 0.00 C ATOM 473 O GLY A 31 5.558 -12.356 -7.715 1.00 0.00 O ATOM 0 H GLY A 31 6.822 -8.587 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.953 -10.235 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.085 -11.169 -7.546 1.00 0.00 H new ATOM 477 N HIS A 32 5.536 -11.269 -5.798 1.00 0.00 N ATOM 478 CA HIS A 32 4.416 -12.106 -5.275 1.00 0.00 C ATOM 479 C HIS A 32 3.076 -11.551 -5.756 1.00 0.00 C ATOM 480 O HIS A 32 2.910 -10.354 -5.906 1.00 0.00 O ATOM 481 CB HIS A 32 4.507 -12.003 -3.749 1.00 0.00 C ATOM 482 CG HIS A 32 5.825 -12.551 -3.273 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.230 -13.846 -3.547 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.836 -11.986 -2.540 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.442 -14.017 -2.986 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.857 -12.913 -2.360 1.00 0.00 N ATOM 0 H HIS A 32 5.876 -10.552 -5.157 1.00 0.00 H new ATOM 0 HA HIS A 32 4.486 -13.138 -5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.403 -10.963 -3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.687 -12.555 -3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.839 -10.975 -2.160 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.009 -14.935 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.734 -12.778 -1.858 1.00 0.00 H new ATOM 494 N GLU A 33 2.118 -12.406 -5.989 1.00 0.00 N ATOM 495 CA GLU A 33 0.783 -11.923 -6.452 1.00 0.00 C ATOM 496 C GLU A 33 0.031 -11.266 -5.290 1.00 0.00 C ATOM 497 O GLU A 33 -0.033 -11.797 -4.195 1.00 0.00 O ATOM 498 CB GLU A 33 0.048 -13.173 -6.944 1.00 0.00 C ATOM 499 CG GLU A 33 0.572 -13.563 -8.331 1.00 0.00 C ATOM 500 CD GLU A 33 0.655 -15.087 -8.441 1.00 0.00 C ATOM 501 OE1 GLU A 33 1.605 -15.649 -7.919 1.00 0.00 O ATOM 502 OE2 GLU A 33 -0.231 -15.667 -9.045 1.00 0.00 O ATOM 0 H GLU A 33 2.200 -13.417 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 33 0.864 -11.174 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.197 -13.995 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.024 -12.983 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.088 -13.168 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.555 -13.123 -8.496 1.00 0.00 H new ATOM 509 N CYS A 34 -0.531 -10.111 -5.523 1.00 0.00 N ATOM 510 CA CYS A 34 -1.278 -9.396 -4.448 1.00 0.00 C ATOM 511 C CYS A 34 -2.589 -8.838 -5.003 1.00 0.00 C ATOM 512 O CYS A 34 -2.830 -8.852 -6.197 1.00 0.00 O ATOM 513 CB CYS A 34 -0.359 -8.256 -4.011 1.00 0.00 C ATOM 514 SG CYS A 34 0.868 -8.880 -2.839 1.00 0.00 S ATOM 0 H CYS A 34 -0.504 -9.627 -6.421 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.533 -10.054 -3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.139 -7.824 -4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.944 -7.460 -3.551 1.00 0.00 H new ATOM 519 N LYS A 35 -3.432 -8.339 -4.145 1.00 0.00 N ATOM 520 CA LYS A 35 -4.728 -7.772 -4.612 1.00 0.00 C ATOM 521 C LYS A 35 -4.977 -6.411 -3.963 1.00 0.00 C ATOM 522 O LYS A 35 -5.052 -6.291 -2.757 1.00 0.00 O ATOM 523 CB LYS A 35 -5.784 -8.781 -4.170 1.00 0.00 C ATOM 524 CG LYS A 35 -7.046 -8.608 -5.021 1.00 0.00 C ATOM 525 CD LYS A 35 -7.071 -9.668 -6.125 1.00 0.00 C ATOM 526 CE LYS A 35 -8.026 -10.800 -5.729 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.020 -10.879 -6.837 1.00 0.00 N ATOM 0 H LYS A 35 -3.280 -8.299 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.744 -7.613 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.399 -9.795 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.021 -8.637 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.934 -8.699 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.067 -7.611 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.392 -9.220 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.068 -10.064 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.492 -11.743 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.513 -10.589 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.764 -11.562 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.446 -9.943 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.544 -11.188 -7.709 1.00 0.00 H new ATOM 541 N PHE A 36 -5.113 -5.389 -4.760 1.00 0.00 N ATOM 542 CA PHE A 36 -5.365 -4.025 -4.211 1.00 0.00 C ATOM 543 C PHE A 36 -6.665 -3.477 -4.811 1.00 0.00 C ATOM 544 O PHE A 36 -6.905 -3.606 -5.996 1.00 0.00 O ATOM 545 CB PHE A 36 -4.155 -3.203 -4.668 1.00 0.00 C ATOM 546 CG PHE A 36 -4.155 -1.847 -3.998 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.906 -0.799 -4.543 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.400 -1.637 -2.838 1.00 0.00 C ATOM 549 CE1 PHE A 36 -4.902 0.457 -3.928 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.397 -0.380 -2.224 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.148 0.667 -2.769 1.00 0.00 C ATOM 0 H PHE A 36 -5.060 -5.439 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.478 -4.004 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.234 -3.735 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.179 -3.081 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.488 -0.960 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.820 -2.445 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.482 1.265 -4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.815 -0.218 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.145 1.637 -2.295 1.00 0.00 H new ATOM 561 N THR A 37 -7.517 -2.884 -4.010 1.00 0.00 N ATOM 562 CA THR A 37 -8.803 -2.354 -4.562 1.00 0.00 C ATOM 563 C THR A 37 -9.191 -1.019 -3.909 1.00 0.00 C ATOM 564 O THR A 37 -8.865 -0.748 -2.766 1.00 0.00 O ATOM 565 CB THR A 37 -9.854 -3.430 -4.253 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.730 -3.854 -2.899 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.655 -4.630 -5.184 1.00 0.00 C ATOM 0 H THR A 37 -7.380 -2.745 -3.009 1.00 0.00 H new ATOM 0 HA THR A 37 -8.720 -2.155 -5.630 1.00 0.00 H new ATOM 0 HB THR A 37 -10.848 -3.011 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.616 -4.827 -2.870 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.403 -5.391 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.762 -4.308 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.659 -5.046 -5.034 1.00 0.00 H new ATOM 575 N VAL A 38 -9.897 -0.190 -4.642 1.00 0.00 N ATOM 576 CA VAL A 38 -10.338 1.136 -4.103 1.00 0.00 C ATOM 577 C VAL A 38 -11.794 1.396 -4.516 1.00 0.00 C ATOM 578 O VAL A 38 -12.148 1.258 -5.673 1.00 0.00 O ATOM 579 CB VAL A 38 -9.406 2.173 -4.748 1.00 0.00 C ATOM 580 CG1 VAL A 38 -9.802 3.578 -4.285 1.00 0.00 C ATOM 581 CG2 VAL A 38 -7.956 1.898 -4.338 1.00 0.00 C ATOM 0 H VAL A 38 -10.189 -0.378 -5.601 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.289 1.179 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.495 2.104 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.140 4.312 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.831 3.782 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.718 3.641 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.301 2.637 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.867 1.960 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.667 0.901 -4.669 1.00 0.00 H new ATOM 591 N LYS A 39 -12.645 1.764 -3.586 1.00 0.00 N ATOM 592 CA LYS A 39 -14.076 2.021 -3.943 1.00 0.00 C ATOM 593 C LYS A 39 -14.706 3.032 -2.975 1.00 0.00 C ATOM 594 O LYS A 39 -14.702 2.824 -1.775 1.00 0.00 O ATOM 595 CB LYS A 39 -14.765 0.658 -3.820 1.00 0.00 C ATOM 596 CG LYS A 39 -16.187 0.746 -4.385 1.00 0.00 C ATOM 597 CD LYS A 39 -16.224 0.124 -5.785 1.00 0.00 C ATOM 598 CE LYS A 39 -17.625 -0.434 -6.066 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.617 -1.815 -5.501 1.00 0.00 N ATOM 0 H LYS A 39 -12.412 1.896 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.177 2.445 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.195 -0.099 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.797 0.349 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.883 0.226 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.507 1.787 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.963 0.873 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.483 -0.672 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.394 0.179 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.836 -0.447 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.544 -2.259 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.880 -2.378 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.421 -1.771 -4.481 1.00 0.00 H new ATOM 613 N PRO A 40 -15.233 4.098 -3.531 1.00 0.00 N ATOM 614 CA PRO A 40 -15.879 5.146 -2.703 1.00 0.00 C ATOM 615 C PRO A 40 -17.273 4.703 -2.246 1.00 0.00 C ATOM 616 O PRO A 40 -17.949 3.948 -2.922 1.00 0.00 O ATOM 617 CB PRO A 40 -15.987 6.337 -3.648 1.00 0.00 C ATOM 618 CG PRO A 40 -16.007 5.746 -5.023 1.00 0.00 C ATOM 619 CD PRO A 40 -15.272 4.430 -4.963 1.00 0.00 C ATOM 0 HA PRO A 40 -15.317 5.367 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.892 6.913 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.144 7.016 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.032 5.597 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.531 6.419 -5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.789 3.660 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.268 4.516 -5.378 1.00 0.00 H new ATOM 766 N TYR A 48 -17.581 9.338 0.622 1.00 0.00 N ATOM 767 CA TYR A 48 -16.222 9.089 1.193 1.00 0.00 C ATOM 768 C TYR A 48 -15.427 8.126 0.304 1.00 0.00 C ATOM 769 O TYR A 48 -15.988 7.370 -0.467 1.00 0.00 O ATOM 770 CB TYR A 48 -16.476 8.458 2.566 1.00 0.00 C ATOM 771 CG TYR A 48 -16.822 9.536 3.568 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.803 10.203 4.260 1.00 0.00 C ATOM 773 CD2 TYR A 48 -18.162 9.868 3.806 1.00 0.00 C ATOM 774 CE1 TYR A 48 -16.124 11.200 5.188 1.00 0.00 C ATOM 775 CE2 TYR A 48 -18.483 10.864 4.734 1.00 0.00 C ATOM 776 CZ TYR A 48 -17.464 11.530 5.426 1.00 0.00 C ATOM 777 OH TYR A 48 -17.781 12.511 6.343 1.00 0.00 O ATOM 0 HA TYR A 48 -15.638 10.007 1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.289 7.736 2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.591 7.913 2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.770 9.948 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.948 9.354 3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.338 11.715 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.516 11.119 4.917 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.754 12.616 6.386 1.00 0.00 H new ATOM 787 N TYR A 49 -14.123 8.146 0.413 1.00 0.00 N ATOM 788 CA TYR A 49 -13.282 7.229 -0.415 1.00 0.00 C ATOM 789 C TYR A 49 -12.557 6.229 0.488 1.00 0.00 C ATOM 790 O TYR A 49 -11.981 6.594 1.495 1.00 0.00 O ATOM 791 CB TYR A 49 -12.284 8.136 -1.136 1.00 0.00 C ATOM 792 CG TYR A 49 -12.449 7.974 -2.629 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.365 8.773 -3.323 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.686 7.023 -3.317 1.00 0.00 C ATOM 795 CE1 TYR A 49 -13.518 8.620 -4.705 1.00 0.00 C ATOM 796 CE2 TYR A 49 -11.838 6.870 -4.699 1.00 0.00 C ATOM 797 CZ TYR A 49 -12.754 7.669 -5.393 1.00 0.00 C ATOM 798 OH TYR A 49 -12.904 7.520 -6.757 1.00 0.00 O ATOM 0 H TYR A 49 -13.603 8.759 1.041 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.874 6.648 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.448 9.175 -0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.266 7.882 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.953 9.507 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.980 6.407 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.225 9.235 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.249 6.136 -5.230 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.299 6.819 -7.078 1.00 0.00 H new ATOM 808 N LYS A 50 -12.587 4.968 0.136 1.00 0.00 N ATOM 809 CA LYS A 50 -11.908 3.937 0.974 1.00 0.00 C ATOM 810 C LYS A 50 -11.258 2.872 0.086 1.00 0.00 C ATOM 811 O LYS A 50 -11.739 2.573 -0.991 1.00 0.00 O ATOM 812 CB LYS A 50 -13.027 3.327 1.820 1.00 0.00 C ATOM 813 CG LYS A 50 -12.483 2.156 2.642 1.00 0.00 C ATOM 814 CD LYS A 50 -13.368 1.937 3.872 1.00 0.00 C ATOM 815 CE LYS A 50 -12.608 1.099 4.902 1.00 0.00 C ATOM 816 NZ LYS A 50 -13.413 1.190 6.156 1.00 0.00 N ATOM 0 H LYS A 50 -13.054 4.609 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.112 4.358 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.446 4.084 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.836 2.984 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.458 1.252 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.458 2.360 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.652 2.896 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.290 1.432 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.510 0.065 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.599 1.483 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.950 0.638 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.484 2.185 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.366 0.811 5.985 1.00 0.00 H new ATOM 830 N GLY A 51 -10.168 2.304 0.531 1.00 0.00 N ATOM 831 CA GLY A 51 -9.481 1.262 -0.284 1.00 0.00 C ATOM 832 C GLY A 51 -8.903 0.177 0.629 1.00 0.00 C ATOM 833 O GLY A 51 -8.594 0.415 1.783 1.00 0.00 O ATOM 0 H GLY A 51 -9.724 2.518 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.184 0.818 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.684 1.716 -0.872 1.00 0.00 H new ATOM 837 N ARG A 52 -8.756 -1.015 0.108 1.00 0.00 N ATOM 838 CA ARG A 52 -8.201 -2.136 0.922 1.00 0.00 C ATOM 839 C ARG A 52 -7.351 -3.060 0.038 1.00 0.00 C ATOM 840 O ARG A 52 -7.597 -3.195 -1.147 1.00 0.00 O ATOM 841 CB ARG A 52 -9.431 -2.876 1.457 1.00 0.00 C ATOM 842 CG ARG A 52 -8.998 -3.932 2.479 1.00 0.00 C ATOM 843 CD ARG A 52 -9.949 -3.903 3.681 1.00 0.00 C ATOM 844 NE ARG A 52 -11.178 -4.616 3.228 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.836 -5.379 4.060 1.00 0.00 C ATOM 846 NH1 ARG A 52 -11.375 -6.566 4.361 1.00 0.00 N ATOM 847 NH2 ARG A 52 -12.953 -4.954 4.589 1.00 0.00 N ATOM 0 H ARG A 52 -8.998 -1.260 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.553 -1.788 1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.119 -2.169 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.967 -3.351 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.005 -4.921 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.976 -3.739 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.505 -4.396 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.175 -2.879 3.979 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.505 -4.508 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.503 -6.895 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.888 -7.163 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.310 -4.028 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.468 -5.548 5.239 1.00 0.00 H new ATOM 861 N MET A 53 -6.357 -3.698 0.602 1.00 0.00 N ATOM 862 CA MET A 53 -5.498 -4.612 -0.211 1.00 0.00 C ATOM 863 C MET A 53 -5.060 -5.833 0.613 1.00 0.00 C ATOM 864 O MET A 53 -4.969 -5.783 1.827 1.00 0.00 O ATOM 865 CB MET A 53 -4.290 -3.766 -0.636 1.00 0.00 C ATOM 866 CG MET A 53 -3.359 -3.521 0.555 1.00 0.00 C ATOM 867 SD MET A 53 -1.776 -2.878 -0.046 1.00 0.00 S ATOM 868 CE MET A 53 -1.176 -4.403 -0.815 1.00 0.00 C ATOM 0 H MET A 53 -6.103 -3.626 1.587 1.00 0.00 H new ATOM 0 HA MET A 53 -6.033 -5.008 -1.074 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.745 -4.274 -1.432 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.631 -2.813 -1.041 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.814 -2.812 1.247 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.202 -4.448 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.204 -4.664 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.883 -5.210 -0.623 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.079 -4.254 -1.890 1.00 0.00 H new ATOM 878 N TRP A 54 -4.788 -6.927 -0.055 1.00 0.00 N ATOM 879 CA TRP A 54 -4.348 -8.173 0.652 1.00 0.00 C ATOM 880 C TRP A 54 -3.480 -9.034 -0.277 1.00 0.00 C ATOM 881 O TRP A 54 -3.682 -9.060 -1.477 1.00 0.00 O ATOM 882 CB TRP A 54 -5.638 -8.913 1.053 1.00 0.00 C ATOM 883 CG TRP A 54 -6.540 -9.093 -0.133 1.00 0.00 C ATOM 884 CD1 TRP A 54 -6.526 -10.159 -0.968 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.592 -8.208 -0.618 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.497 -9.981 -1.937 1.00 0.00 N ATOM 887 CE2 TRP A 54 -8.180 -8.793 -1.764 1.00 0.00 C ATOM 888 CE3 TRP A 54 -8.084 -6.964 -0.182 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -9.221 -8.168 -2.451 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -9.132 -6.333 -0.872 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.698 -6.934 -2.004 1.00 0.00 C ATOM 0 H TRP A 54 -4.852 -7.012 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.741 -7.948 1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.388 -9.886 1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.158 -8.352 1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.865 -11.009 -0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.686 -10.646 -2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.653 -6.492 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.655 -8.635 -3.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.504 -5.379 -0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.503 -6.443 -2.531 1.00 0.00 H new ATOM 902 N CYS A 55 -2.507 -9.730 0.265 1.00 0.00 N ATOM 903 CA CYS A 55 -1.618 -10.576 -0.592 1.00 0.00 C ATOM 904 C CYS A 55 -1.763 -12.065 -0.239 1.00 0.00 C ATOM 905 O CYS A 55 -1.050 -12.570 0.607 1.00 0.00 O ATOM 906 CB CYS A 55 -0.198 -10.095 -0.291 1.00 0.00 C ATOM 907 SG CYS A 55 0.065 -8.468 -1.034 1.00 0.00 S ATOM 0 H CYS A 55 -2.292 -9.748 1.262 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.872 -10.482 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.042 -10.043 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.528 -10.807 -0.684 1.00 0.00 H new ATOM 912 N PRO A 56 -2.677 -12.723 -0.913 1.00 0.00 N ATOM 913 CA PRO A 56 -2.904 -14.168 -0.676 1.00 0.00 C ATOM 914 C PRO A 56 -1.832 -15.001 -1.398 1.00 0.00 C ATOM 915 O PRO A 56 -2.046 -15.505 -2.486 1.00 0.00 O ATOM 916 CB PRO A 56 -4.291 -14.414 -1.267 1.00 0.00 C ATOM 917 CG PRO A 56 -4.482 -13.343 -2.299 1.00 0.00 C ATOM 918 CD PRO A 56 -3.578 -12.186 -1.941 1.00 0.00 C ATOM 0 HA PRO A 56 -2.844 -14.450 0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.357 -15.406 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.061 -14.359 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.241 -13.723 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.523 -13.020 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.022 -11.834 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.150 -11.338 -1.563 1.00 0.00 H new ATOM 926 N GLY A 57 -0.677 -15.140 -0.795 1.00 0.00 N ATOM 927 CA GLY A 57 0.422 -15.927 -1.430 1.00 0.00 C ATOM 928 C GLY A 57 1.772 -15.476 -0.857 1.00 0.00 C ATOM 929 O GLY A 57 2.599 -16.287 -0.487 1.00 0.00 O ATOM 0 H GLY A 57 -0.448 -14.739 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.274 -16.991 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.408 -15.785 -2.511 1.00 0.00 H new ATOM 933 N TRP A 58 1.992 -14.186 -0.780 1.00 0.00 N ATOM 934 CA TRP A 58 3.281 -13.667 -0.226 1.00 0.00 C ATOM 935 C TRP A 58 3.339 -13.919 1.284 1.00 0.00 C ATOM 936 O TRP A 58 4.281 -14.497 1.791 1.00 0.00 O ATOM 937 CB TRP A 58 3.265 -12.159 -0.519 1.00 0.00 C ATOM 938 CG TRP A 58 4.520 -11.509 -0.009 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.681 -12.148 0.275 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.752 -10.098 0.281 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.606 -11.221 0.720 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.082 -9.945 0.741 1.00 0.00 C ATOM 943 CE3 TRP A 58 3.947 -8.949 0.190 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.594 -8.696 1.099 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.458 -7.691 0.550 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.779 -7.566 1.003 1.00 0.00 C ATOM 0 H TRP A 58 1.332 -13.468 -1.078 1.00 0.00 H new ATOM 0 HA TRP A 58 4.149 -14.156 -0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.173 -11.992 -1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.395 -11.701 -0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.856 -13.209 0.171 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.559 -11.453 0.999 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.929 -9.034 -0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.612 -8.605 1.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.830 -6.815 0.477 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.166 -6.596 1.278 1.00 0.00 H new ATOM 957 N THR A 59 2.335 -13.482 1.998 1.00 0.00 N ATOM 958 CA THR A 59 2.312 -13.678 3.474 1.00 0.00 C ATOM 959 C THR A 59 0.868 -13.575 3.993 1.00 0.00 C ATOM 960 O THR A 59 -0.080 -13.707 3.242 1.00 0.00 O ATOM 961 CB THR A 59 3.198 -12.549 4.032 1.00 0.00 C ATOM 962 OG1 THR A 59 3.229 -12.619 5.452 1.00 0.00 O ATOM 963 CG2 THR A 59 2.646 -11.185 3.599 1.00 0.00 C ATOM 0 H THR A 59 1.524 -12.994 1.617 1.00 0.00 H new ATOM 0 HA THR A 59 2.678 -14.658 3.780 1.00 0.00 H new ATOM 0 HB THR A 59 4.208 -12.667 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.032 -11.735 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.279 -10.393 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.634 -11.126 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.632 -11.065 3.980 1.00 0.00 H new ATOM 971 N ALA A 60 0.698 -13.337 5.268 1.00 0.00 N ATOM 972 CA ALA A 60 -0.676 -13.222 5.844 1.00 0.00 C ATOM 973 C ALA A 60 -0.882 -11.818 6.430 1.00 0.00 C ATOM 974 O ALA A 60 -1.375 -11.658 7.532 1.00 0.00 O ATOM 975 CB ALA A 60 -0.736 -14.289 6.942 1.00 0.00 C ATOM 0 H ALA A 60 1.457 -13.217 5.939 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.457 -13.370 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.718 -14.269 7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.565 -15.272 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.031 -14.086 7.689 1.00 0.00 H new ATOM 981 N ILE A 61 -0.507 -10.801 5.693 1.00 0.00 N ATOM 982 CA ILE A 61 -0.675 -9.401 6.186 1.00 0.00 C ATOM 983 C ILE A 61 -1.532 -8.600 5.199 1.00 0.00 C ATOM 984 O ILE A 61 -1.453 -8.791 3.999 1.00 0.00 O ATOM 985 CB ILE A 61 0.751 -8.831 6.262 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.480 -9.439 7.469 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.698 -7.307 6.418 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.976 -9.125 7.379 1.00 0.00 C ATOM 0 H ILE A 61 -0.089 -10.883 4.766 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.178 -9.355 7.152 1.00 0.00 H new ATOM 0 HB ILE A 61 1.284 -9.080 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.069 -9.037 8.395 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.326 -10.518 7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.712 -6.911 6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.183 -6.871 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.161 -7.053 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.491 -9.558 8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.382 -9.549 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.121 -8.045 7.376 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.347 -7.701 5.693 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.204 -6.885 4.783 1.00 0.00 C ATOM 1002 C ARG A 62 -3.110 -5.400 5.131 1.00 0.00 C ATOM 1003 O ARG A 62 -2.541 -5.019 6.138 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.638 -7.392 4.981 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.990 -7.441 6.473 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.305 -6.691 6.713 1.00 0.00 C ATOM 1007 NE ARG A 62 -5.902 -5.349 7.228 1.00 0.00 N ATOM 1008 CZ ARG A 62 -6.748 -4.640 7.928 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.926 -4.900 9.195 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -7.417 -3.672 7.358 1.00 0.00 N ATOM 0 H ARG A 62 -2.455 -7.498 6.687 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.883 -6.986 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.336 -6.739 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.742 -8.385 4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.084 -8.476 6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.190 -6.991 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.882 -6.603 5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.932 -7.217 7.433 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.969 -4.986 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.405 -5.656 9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.586 -4.347 9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.279 -3.471 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.077 -3.118 7.904 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.667 -4.563 4.299 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.616 -3.095 4.562 1.00 0.00 C ATOM 1026 C GLY A 63 -4.909 -2.428 4.084 1.00 0.00 C ATOM 1027 O GLY A 63 -5.605 -2.938 3.225 1.00 0.00 O ATOM 0 H GLY A 63 -4.157 -4.832 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.477 -2.914 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.760 -2.656 4.049 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.232 -1.288 4.638 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.475 -0.567 4.227 1.00 0.00 C ATOM 1033 C GLU A 64 -6.413 0.885 4.690 1.00 0.00 C ATOM 1034 O GLU A 64 -5.737 1.213 5.648 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.619 -1.315 4.920 1.00 0.00 C ATOM 1036 CG GLU A 64 -8.920 -0.501 4.855 1.00 0.00 C ATOM 1037 CD GLU A 64 -9.867 -0.947 5.974 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -9.990 -2.143 6.187 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -10.456 -0.084 6.600 1.00 0.00 O ATOM 0 H GLU A 64 -4.685 -0.822 5.362 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.607 -0.548 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.767 -2.284 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.356 -1.507 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.700 0.562 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.398 -0.639 3.885 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.119 1.750 4.015 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.117 3.194 4.407 1.00 0.00 C ATOM 1048 C ALA A 65 -8.217 3.966 3.669 1.00 0.00 C ATOM 1049 O ALA A 65 -8.646 3.584 2.597 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.739 3.715 4.000 1.00 0.00 C ATOM 0 H ALA A 65 -7.699 1.522 3.207 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.310 3.321 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.659 4.772 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.968 3.155 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.606 3.591 2.925 1.00 0.00 H new ATOM 1056 N SER A 66 -8.668 5.058 4.241 1.00 0.00 N ATOM 1057 CA SER A 66 -9.738 5.875 3.584 1.00 0.00 C ATOM 1058 C SER A 66 -9.410 7.371 3.691 1.00 0.00 C ATOM 1059 O SER A 66 -8.731 7.802 4.606 1.00 0.00 O ATOM 1060 CB SER A 66 -11.025 5.562 4.350 1.00 0.00 C ATOM 1061 OG SER A 66 -11.155 4.156 4.517 1.00 0.00 O ATOM 0 H SER A 66 -8.340 5.419 5.137 1.00 0.00 H new ATOM 0 HA SER A 66 -9.829 5.639 2.524 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.009 6.053 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.886 5.955 3.809 1.00 0.00 H new ATOM 0 HG SER A 66 -11.887 3.967 5.141 1.00 0.00 H new ATOM 1067 N THR A 67 -9.897 8.162 2.765 1.00 0.00 N ATOM 1068 CA THR A 67 -9.629 9.638 2.802 1.00 0.00 C ATOM 1069 C THR A 67 -10.403 10.353 1.685 1.00 0.00 C ATOM 1070 O THR A 67 -10.798 9.748 0.708 1.00 0.00 O ATOM 1071 CB THR A 67 -8.111 9.789 2.598 1.00 0.00 C ATOM 1072 OG1 THR A 67 -7.737 11.148 2.796 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.722 9.357 1.183 1.00 0.00 C ATOM 0 H THR A 67 -10.471 7.849 1.982 1.00 0.00 H new ATOM 0 HA THR A 67 -9.952 10.084 3.743 1.00 0.00 H new ATOM 0 HB THR A 67 -7.593 9.156 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.770 11.243 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.646 9.469 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.000 8.314 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.243 9.980 0.456 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.614 11.640 1.830 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.361 12.420 0.788 1.00 0.00 C ATOM 1083 C ARG A 68 -10.686 12.304 -0.588 1.00 0.00 C ATOM 1084 O ARG A 68 -11.351 12.267 -1.607 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.321 13.874 1.274 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.745 14.429 1.365 1.00 0.00 C ATOM 1087 CD ARG A 68 -12.699 15.960 1.322 1.00 0.00 C ATOM 1088 NE ARG A 68 -13.005 16.316 -0.093 1.00 0.00 N ATOM 1089 CZ ARG A 68 -12.034 16.471 -0.954 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -11.401 17.613 -1.026 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -11.702 15.484 -1.745 1.00 0.00 N ATOM 0 H ARG A 68 -10.299 12.188 2.630 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.378 12.047 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.837 13.928 2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.728 14.480 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.348 14.049 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.219 14.094 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.428 16.396 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.719 16.334 1.620 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.973 16.439 -0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.665 18.382 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.643 17.735 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.200 14.596 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.945 15.602 -2.418 1.00 0.00 H new ATOM 1105 N SER A 69 -9.376 12.263 -0.627 1.00 0.00 N ATOM 1106 CA SER A 69 -8.658 12.165 -1.940 1.00 0.00 C ATOM 1107 C SER A 69 -8.954 10.826 -2.627 1.00 0.00 C ATOM 1108 O SER A 69 -9.061 9.794 -1.988 1.00 0.00 O ATOM 1109 CB SER A 69 -7.164 12.263 -1.611 1.00 0.00 C ATOM 1110 OG SER A 69 -6.975 13.035 -0.430 1.00 0.00 O ATOM 0 H SER A 69 -8.771 12.293 0.194 1.00 0.00 H new ATOM 0 HA SER A 69 -8.979 12.953 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.747 11.265 -1.474 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.629 12.720 -2.444 1.00 0.00 H new ATOM 0 HG SER A 69 -6.018 13.091 -0.226 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.076 10.842 -3.933 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.356 9.580 -4.687 1.00 0.00 C ATOM 1118 C GLN A 70 -8.071 8.754 -4.822 1.00 0.00 C ATOM 1119 O GLN A 70 -8.053 7.569 -4.541 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.853 10.035 -6.065 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.280 10.581 -5.945 1.00 0.00 C ATOM 1122 CD GLN A 70 -11.290 12.078 -6.269 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -11.393 12.462 -7.418 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.193 12.946 -5.300 1.00 0.00 N ATOM 0 H GLN A 70 -8.993 11.678 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.089 8.951 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.192 10.804 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.831 9.199 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.942 10.047 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.659 10.415 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.107 12.626 -4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.204 13.945 -5.507 1.00 0.00 H new ATOM 1133 N SER A 71 -6.997 9.373 -5.245 1.00 0.00 N ATOM 1134 CA SER A 71 -5.707 8.633 -5.389 1.00 0.00 C ATOM 1135 C SER A 71 -5.004 8.548 -4.029 1.00 0.00 C ATOM 1136 O SER A 71 -4.279 7.610 -3.754 1.00 0.00 O ATOM 1137 CB SER A 71 -4.873 9.457 -6.373 1.00 0.00 C ATOM 1138 OG SER A 71 -5.661 9.770 -7.515 1.00 0.00 O ATOM 0 H SER A 71 -6.959 10.361 -5.497 1.00 0.00 H new ATOM 0 HA SER A 71 -5.853 7.613 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.526 10.373 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.986 8.898 -6.672 1.00 0.00 H new ATOM 0 HG SER A 71 -5.128 10.299 -8.145 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.223 9.523 -3.175 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.583 9.514 -1.826 1.00 0.00 C ATOM 1146 C GLY A 72 -5.016 8.264 -1.054 1.00 0.00 C ATOM 1147 O GLY A 72 -4.225 7.662 -0.356 1.00 0.00 O ATOM 0 H GLY A 72 -5.822 10.328 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.498 9.532 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.866 10.410 -1.273 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.264 7.864 -1.178 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.739 6.642 -0.452 1.00 0.00 C ATOM 1153 C VAL A 73 -5.937 5.410 -0.900 1.00 0.00 C ATOM 1154 O VAL A 73 -5.632 4.540 -0.105 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.232 6.500 -0.807 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.409 5.693 -2.098 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.957 5.779 0.332 1.00 0.00 C ATOM 0 H VAL A 73 -6.969 8.330 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.600 6.726 0.626 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.650 7.496 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.470 5.605 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.900 6.201 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.983 4.698 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.013 5.677 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.520 4.790 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.854 6.356 1.251 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.588 5.339 -2.163 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.797 4.174 -2.664 1.00 0.00 C ATOM 1169 C ALA A 74 -3.376 4.231 -2.096 1.00 0.00 C ATOM 1170 O ALA A 74 -2.802 3.222 -1.734 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.781 4.318 -4.187 1.00 0.00 C ATOM 0 H ALA A 74 -5.818 6.039 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.226 3.219 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.216 3.495 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.803 4.298 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.312 5.264 -4.458 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.811 5.409 -2.000 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.436 5.544 -1.440 1.00 0.00 C ATOM 1179 C GLY A 75 -1.458 5.194 0.052 1.00 0.00 C ATOM 1180 O GLY A 75 -0.501 4.664 0.584 1.00 0.00 O ATOM 0 H GLY A 75 -3.247 6.285 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.749 4.884 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.072 6.562 -1.581 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.546 5.481 0.728 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.637 5.159 2.181 1.00 0.00 C ATOM 1186 C LYS A 76 -2.791 3.645 2.376 1.00 0.00 C ATOM 1187 O LYS A 76 -2.201 3.066 3.264 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.881 5.897 2.684 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.593 7.398 2.776 1.00 0.00 C ATOM 1190 CD LYS A 76 -4.840 8.127 3.284 1.00 0.00 C ATOM 1191 CE LYS A 76 -4.826 8.152 4.817 1.00 0.00 C ATOM 1192 NZ LYS A 76 -6.008 8.972 5.209 1.00 0.00 N ATOM 0 H LYS A 76 -3.374 5.925 0.332 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.743 5.462 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.718 5.719 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.172 5.513 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.754 7.578 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.306 7.785 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.865 9.144 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.739 7.626 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.893 7.144 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.902 8.589 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.925 9.245 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.048 9.827 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.876 8.416 5.073 1.00 0.00 H new ATOM 1206 N THR A 77 -3.571 2.996 1.544 1.00 0.00 N ATOM 1207 CA THR A 77 -3.745 1.520 1.681 1.00 0.00 C ATOM 1208 C THR A 77 -2.419 0.813 1.371 1.00 0.00 C ATOM 1209 O THR A 77 -2.058 -0.155 2.011 1.00 0.00 O ATOM 1210 CB THR A 77 -4.826 1.138 0.659 1.00 0.00 C ATOM 1211 OG1 THR A 77 -6.057 1.753 1.018 1.00 0.00 O ATOM 1212 CG2 THR A 77 -5.011 -0.381 0.630 1.00 0.00 C ATOM 0 H THR A 77 -4.092 3.425 0.779 1.00 0.00 H new ATOM 0 HA THR A 77 -4.036 1.226 2.689 1.00 0.00 H new ATOM 0 HB THR A 77 -4.516 1.480 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.053 2.688 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.780 -0.640 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.071 -0.857 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.314 -0.730 1.617 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.692 1.302 0.397 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.386 0.676 0.041 1.00 0.00 C ATOM 1222 C ALA A 78 0.678 1.036 1.082 1.00 0.00 C ATOM 1223 O ALA A 78 1.507 0.219 1.435 1.00 0.00 O ATOM 1224 CB ALA A 78 -0.020 1.256 -1.325 1.00 0.00 C ATOM 0 H ALA A 78 -1.950 2.111 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.448 -0.412 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.933 0.840 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.795 1.002 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.064 2.340 -1.249 1.00 0.00 H new ATOM 1230 N LYS A 79 0.655 2.246 1.586 1.00 0.00 N ATOM 1231 CA LYS A 79 1.662 2.646 2.614 1.00 0.00 C ATOM 1232 C LYS A 79 1.371 1.923 3.930 1.00 0.00 C ATOM 1233 O LYS A 79 2.274 1.486 4.618 1.00 0.00 O ATOM 1234 CB LYS A 79 1.496 4.157 2.785 1.00 0.00 C ATOM 1235 CG LYS A 79 2.717 4.732 3.511 1.00 0.00 C ATOM 1236 CD LYS A 79 3.527 5.608 2.550 1.00 0.00 C ATOM 1237 CE LYS A 79 2.978 7.039 2.570 1.00 0.00 C ATOM 1238 NZ LYS A 79 2.159 7.166 1.328 1.00 0.00 N ATOM 0 H LYS A 79 -0.016 2.971 1.330 1.00 0.00 H new ATOM 0 HA LYS A 79 2.679 2.388 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.383 4.633 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.590 4.371 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.397 5.320 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.340 3.923 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.578 5.607 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.474 5.202 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.373 7.215 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.786 7.770 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.050 8.171 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.634 6.671 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.221 6.744 1.486 1.00 0.00 H new ATOM 1252 N ASP A 80 0.114 1.785 4.275 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.244 1.080 5.542 1.00 0.00 C ATOM 1254 C ASP A 80 0.154 -0.398 5.442 1.00 0.00 C ATOM 1255 O ASP A 80 0.601 -0.991 6.405 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.765 1.235 5.682 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.119 2.639 6.203 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.339 3.560 5.995 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.176 2.771 6.798 1.00 0.00 O ATOM 0 H ASP A 80 -0.678 2.130 3.733 1.00 0.00 H new ATOM 0 HA ASP A 80 0.274 1.491 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.244 1.068 4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.152 0.479 6.365 1.00 0.00 H new ATOM 1264 N PHE A 81 0.019 -0.991 4.276 1.00 0.00 N ATOM 1265 CA PHE A 81 0.419 -2.421 4.110 1.00 0.00 C ATOM 1266 C PHE A 81 1.945 -2.535 4.214 1.00 0.00 C ATOM 1267 O PHE A 81 2.470 -3.453 4.817 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.063 -2.814 2.706 1.00 0.00 C ATOM 1269 CG PHE A 81 0.114 -4.302 2.489 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.394 -4.842 2.307 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -1.006 -5.141 2.463 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.552 -6.219 2.103 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.848 -6.516 2.257 1.00 0.00 C ATOM 1274 CZ PHE A 81 0.431 -7.054 2.078 1.00 0.00 C ATOM 0 H PHE A 81 -0.350 -0.545 3.437 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.010 -3.071 4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.112 -2.544 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.498 -2.260 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.259 -4.196 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.994 -4.727 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.539 -6.635 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.713 -7.162 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.552 -8.116 1.920 1.00 0.00 H new ATOM 1284 N VAL A 82 2.656 -1.598 3.638 1.00 0.00 N ATOM 1285 CA VAL A 82 4.146 -1.631 3.705 1.00 0.00 C ATOM 1286 C VAL A 82 4.609 -1.436 5.152 1.00 0.00 C ATOM 1287 O VAL A 82 5.546 -2.070 5.597 1.00 0.00 O ATOM 1288 CB VAL A 82 4.619 -0.475 2.815 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.124 -0.254 3.003 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.338 -0.813 1.349 1.00 0.00 C ATOM 0 H VAL A 82 2.265 -0.809 3.123 1.00 0.00 H new ATOM 0 HA VAL A 82 4.555 -2.583 3.368 1.00 0.00 H new ATOM 0 HB VAL A 82 4.084 0.433 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.453 0.568 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.329 -0.012 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.662 -1.162 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.674 0.008 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.872 -1.723 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.268 -0.965 1.209 1.00 0.00 H new ATOM 1300 N ARG A 83 3.952 -0.573 5.891 1.00 0.00 N ATOM 1301 CA ARG A 83 4.349 -0.348 7.314 1.00 0.00 C ATOM 1302 C ARG A 83 4.122 -1.627 8.129 1.00 0.00 C ATOM 1303 O ARG A 83 4.933 -1.993 8.959 1.00 0.00 O ATOM 1304 CB ARG A 83 3.448 0.783 7.816 1.00 0.00 C ATOM 1305 CG ARG A 83 4.123 1.492 8.995 1.00 0.00 C ATOM 1306 CD ARG A 83 3.084 2.316 9.762 1.00 0.00 C ATOM 1307 NE ARG A 83 3.393 2.096 11.206 1.00 0.00 N ATOM 1308 CZ ARG A 83 2.635 2.634 12.123 1.00 0.00 C ATOM 1309 NH1 ARG A 83 1.483 2.092 12.419 1.00 0.00 N ATOM 1310 NH2 ARG A 83 3.029 3.716 12.742 1.00 0.00 N ATOM 0 H ARG A 83 3.160 -0.017 5.569 1.00 0.00 H new ATOM 0 HA ARG A 83 5.403 -0.090 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.257 1.494 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.482 0.383 8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.583 0.759 9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.922 2.140 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.151 3.373 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.071 1.992 9.523 1.00 0.00 H new ATOM 0 HE ARG A 83 4.195 1.526 11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.176 1.249 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.891 2.512 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.927 4.139 12.508 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.438 4.137 13.459 1.00 0.00 H new ATOM 1324 N LYS A 84 3.034 -2.319 7.884 1.00 0.00 N ATOM 1325 CA LYS A 84 2.769 -3.584 8.635 1.00 0.00 C ATOM 1326 C LYS A 84 3.799 -4.646 8.234 1.00 0.00 C ATOM 1327 O LYS A 84 4.288 -5.390 9.064 1.00 0.00 O ATOM 1328 CB LYS A 84 1.356 -4.016 8.225 1.00 0.00 C ATOM 1329 CG LYS A 84 0.721 -4.838 9.351 1.00 0.00 C ATOM 1330 CD LYS A 84 0.296 -3.906 10.489 1.00 0.00 C ATOM 1331 CE LYS A 84 -0.591 -4.671 11.478 1.00 0.00 C ATOM 1332 NZ LYS A 84 -1.905 -3.966 11.453 1.00 0.00 N ATOM 0 H LYS A 84 2.322 -2.063 7.200 1.00 0.00 H new ATOM 0 HA LYS A 84 2.845 -3.450 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.744 -3.139 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.397 -4.606 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.143 -5.385 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.431 -5.579 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.176 -3.516 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.245 -3.049 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.699 -5.715 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.160 -4.665 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.563 -4.435 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.774 -2.976 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.296 -3.994 10.490 1.00 0.00 H new ATOM 1346 N ALA A 85 4.143 -4.706 6.970 1.00 0.00 N ATOM 1347 CA ALA A 85 5.158 -5.703 6.513 1.00 0.00 C ATOM 1348 C ALA A 85 6.543 -5.304 7.033 1.00 0.00 C ATOM 1349 O ALA A 85 7.348 -6.147 7.382 1.00 0.00 O ATOM 1350 CB ALA A 85 5.119 -5.649 4.984 1.00 0.00 C ATOM 0 H ALA A 85 3.764 -4.107 6.236 1.00 0.00 H new ATOM 0 HA ALA A 85 4.950 -6.707 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.841 -6.357 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.119 -5.909 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.369 -4.642 4.649 1.00 0.00 H new ATOM 1356 N PHE A 86 6.818 -4.020 7.098 1.00 0.00 N ATOM 1357 CA PHE A 86 8.142 -3.556 7.613 1.00 0.00 C ATOM 1358 C PHE A 86 8.285 -3.939 9.091 1.00 0.00 C ATOM 1359 O PHE A 86 9.338 -4.360 9.528 1.00 0.00 O ATOM 1360 CB PHE A 86 8.136 -2.028 7.455 1.00 0.00 C ATOM 1361 CG PHE A 86 9.221 -1.598 6.492 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.558 -1.940 6.738 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.890 -0.847 5.358 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.560 -1.530 5.851 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.892 -0.440 4.469 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.228 -0.780 4.717 1.00 0.00 C ATOM 0 H PHE A 86 6.180 -3.276 6.816 1.00 0.00 H new ATOM 0 HA PHE A 86 8.974 -4.010 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.164 -1.697 7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.291 -1.554 8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.815 -2.520 7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.860 -0.581 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.590 -1.793 6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.635 0.136 3.592 1.00 0.00 H new ATOM 0 HZ PHE A 86 12.002 -0.463 4.033 1.00 0.00 H new ATOM 1376 N GLN A 87 7.228 -3.798 9.860 1.00 0.00 N ATOM 1377 CA GLN A 87 7.296 -4.159 11.311 1.00 0.00 C ATOM 1378 C GLN A 87 7.448 -5.681 11.480 1.00 0.00 C ATOM 1379 O GLN A 87 8.129 -6.146 12.374 1.00 0.00 O ATOM 1380 CB GLN A 87 5.968 -3.679 11.908 1.00 0.00 C ATOM 1381 CG GLN A 87 6.173 -2.327 12.602 1.00 0.00 C ATOM 1382 CD GLN A 87 5.166 -1.303 12.062 1.00 0.00 C ATOM 1383 OE1 GLN A 87 5.549 -0.298 11.498 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.886 -1.511 12.220 1.00 0.00 N ATOM 0 H GLN A 87 6.323 -3.449 9.544 1.00 0.00 H new ATOM 0 HA GLN A 87 8.152 -3.701 11.806 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.218 -3.586 11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.593 -4.412 12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.048 -2.439 13.679 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.190 -1.973 12.434 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.561 -2.354 12.693 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.212 -0.830 11.870 1.00 0.00 H new ATOM 1393 N LYS A 88 6.820 -6.456 10.628 1.00 0.00 N ATOM 1394 CA LYS A 88 6.932 -7.944 10.743 1.00 0.00 C ATOM 1395 C LYS A 88 8.309 -8.411 10.254 1.00 0.00 C ATOM 1396 O LYS A 88 9.016 -9.119 10.947 1.00 0.00 O ATOM 1397 CB LYS A 88 5.821 -8.504 9.850 1.00 0.00 C ATOM 1398 CG LYS A 88 4.501 -8.536 10.628 1.00 0.00 C ATOM 1399 CD LYS A 88 4.455 -9.789 11.508 1.00 0.00 C ATOM 1400 CE LYS A 88 3.280 -9.689 12.485 1.00 0.00 C ATOM 1401 NZ LYS A 88 3.429 -10.861 13.398 1.00 0.00 N ATOM 0 H LYS A 88 6.237 -6.123 9.860 1.00 0.00 H new ATOM 0 HA LYS A 88 6.830 -8.285 11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.713 -7.888 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.082 -9.508 9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.409 -7.642 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.659 -8.534 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.349 -10.678 10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.390 -9.894 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.308 -8.751 13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.326 -9.719 11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.658 -10.858 14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.391 -11.740 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.342 -10.802 13.892 1.00 0.00 H new ATOM 1415 N GLY A 89 8.693 -8.015 9.066 1.00 0.00 N ATOM 1416 CA GLY A 89 10.017 -8.424 8.523 1.00 0.00 C ATOM 1417 C GLY A 89 9.844 -8.989 7.111 1.00 0.00 C ATOM 1418 O GLY A 89 10.296 -10.078 6.814 1.00 0.00 O ATOM 0 H GLY A 89 8.139 -7.422 8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.692 -7.569 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.471 -9.173 9.172 1.00 0.00 H new ATOM 1422 N LEU A 90 9.195 -8.258 6.238 1.00 0.00 N ATOM 1423 CA LEU A 90 8.994 -8.754 4.845 1.00 0.00 C ATOM 1424 C LEU A 90 9.571 -7.754 3.836 1.00 0.00 C ATOM 1425 O LEU A 90 10.325 -8.121 2.955 1.00 0.00 O ATOM 1426 CB LEU A 90 7.476 -8.884 4.678 1.00 0.00 C ATOM 1427 CG LEU A 90 7.027 -10.286 5.107 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.520 -10.429 4.896 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.755 -11.343 4.268 1.00 0.00 C ATOM 0 H LEU A 90 8.796 -7.339 6.432 1.00 0.00 H new ATOM 0 HA LEU A 90 9.500 -9.703 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.968 -8.129 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.198 -8.705 3.639 1.00 0.00 H new ATOM 0 HG LEU A 90 7.266 -10.430 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.203 -11.426 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.997 -9.683 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.284 -10.280 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.433 -12.338 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.520 -11.196 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.831 -11.248 4.416 1.00 0.00 H new ATOM 1441 N ILE A 91 9.229 -6.495 3.960 1.00 0.00 N ATOM 1442 CA ILE A 91 9.768 -5.480 3.010 1.00 0.00 C ATOM 1443 C ILE A 91 11.126 -4.980 3.512 1.00 0.00 C ATOM 1444 O ILE A 91 11.227 -3.933 4.123 1.00 0.00 O ATOM 1445 CB ILE A 91 8.730 -4.347 2.984 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.406 -4.883 2.429 1.00 0.00 C ATOM 1447 CG2 ILE A 91 9.225 -3.206 2.085 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.330 -3.800 2.522 1.00 0.00 C ATOM 0 H ILE A 91 8.602 -6.130 4.677 1.00 0.00 H new ATOM 0 HA ILE A 91 9.927 -5.884 2.010 1.00 0.00 H new ATOM 0 HB ILE A 91 8.584 -3.973 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.535 -5.193 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.097 -5.765 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.484 -2.406 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.168 -2.821 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.375 -3.580 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.390 -4.186 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.193 -3.511 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.638 -2.930 1.942 1.00 0.00 H new ATOM 1460 N SER A 92 12.174 -5.722 3.259 1.00 0.00 N ATOM 1461 CA SER A 92 13.525 -5.289 3.718 1.00 0.00 C ATOM 1462 C SER A 92 13.912 -3.998 2.994 1.00 0.00 C ATOM 1463 O SER A 92 13.447 -3.729 1.902 1.00 0.00 O ATOM 1464 CB SER A 92 14.487 -6.422 3.344 1.00 0.00 C ATOM 1465 OG SER A 92 13.803 -7.669 3.368 1.00 0.00 O ATOM 0 H SER A 92 12.151 -6.608 2.755 1.00 0.00 H new ATOM 0 HA SER A 92 13.552 -5.095 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.902 -6.245 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.325 -6.444 4.041 1.00 0.00 H new ATOM 0 HG SER A 92 14.242 -8.295 2.755 1.00 0.00 H new ATOM 1471 N GLN A 93 14.752 -3.200 3.593 1.00 0.00 N ATOM 1472 CA GLN A 93 15.164 -1.918 2.940 1.00 0.00 C ATOM 1473 C GLN A 93 15.761 -2.195 1.554 1.00 0.00 C ATOM 1474 O GLN A 93 15.399 -1.560 0.582 1.00 0.00 O ATOM 1475 CB GLN A 93 16.210 -1.303 3.877 1.00 0.00 C ATOM 1476 CG GLN A 93 15.575 -1.024 5.246 1.00 0.00 C ATOM 1477 CD GLN A 93 15.833 0.428 5.652 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.730 0.704 6.426 1.00 0.00 O ATOM 1479 NE2 GLN A 93 15.079 1.376 5.165 1.00 0.00 N ATOM 0 H GLN A 93 15.172 -3.377 4.505 1.00 0.00 H new ATOM 0 HA GLN A 93 14.321 -1.244 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 93 17.056 -1.981 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.597 -0.378 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.503 -1.214 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.990 -1.699 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.326 1.146 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.242 2.346 5.434 1.00 0.00 H new ATOM 1488 N GLN A 94 16.663 -3.141 1.456 1.00 0.00 N ATOM 1489 CA GLN A 94 17.277 -3.465 0.130 1.00 0.00 C ATOM 1490 C GLN A 94 16.245 -4.125 -0.792 1.00 0.00 C ATOM 1491 O GLN A 94 16.181 -3.830 -1.970 1.00 0.00 O ATOM 1492 CB GLN A 94 18.422 -4.434 0.441 1.00 0.00 C ATOM 1493 CG GLN A 94 19.439 -4.417 -0.704 1.00 0.00 C ATOM 1494 CD GLN A 94 20.511 -3.361 -0.422 1.00 0.00 C ATOM 1495 OE1 GLN A 94 20.401 -2.235 -0.865 1.00 0.00 O ATOM 1496 NE2 GLN A 94 21.551 -3.678 0.300 1.00 0.00 N ATOM 0 H GLN A 94 17.001 -3.703 2.237 1.00 0.00 H new ATOM 0 HA GLN A 94 17.631 -2.572 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.907 -4.151 1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.031 -5.442 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 94 19.900 -5.399 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 94 18.937 -4.198 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 94 21.644 -4.623 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.270 -2.981 0.492 1.00 0.00 H new ATOM 1505 N GLU A 95 15.437 -5.013 -0.263 1.00 0.00 N ATOM 1506 CA GLU A 95 14.405 -5.692 -1.105 1.00 0.00 C ATOM 1507 C GLU A 95 13.405 -4.664 -1.643 1.00 0.00 C ATOM 1508 O GLU A 95 13.000 -4.726 -2.790 1.00 0.00 O ATOM 1509 CB GLU A 95 13.708 -6.690 -0.173 1.00 0.00 C ATOM 1510 CG GLU A 95 14.342 -8.076 -0.333 1.00 0.00 C ATOM 1511 CD GLU A 95 15.758 -8.071 0.254 1.00 0.00 C ATOM 1512 OE1 GLU A 95 15.883 -8.303 1.446 1.00 0.00 O ATOM 1513 OE2 GLU A 95 16.690 -7.836 -0.497 1.00 0.00 O ATOM 0 H GLU A 95 15.449 -5.296 0.717 1.00 0.00 H new ATOM 0 HA GLU A 95 14.844 -6.192 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.794 -6.357 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.644 -6.737 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.732 -8.825 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.377 -8.351 -1.387 1.00 0.00 H new ATOM 1520 N ALA A 96 13.015 -3.714 -0.827 1.00 0.00 N ATOM 1521 CA ALA A 96 12.051 -2.671 -1.291 1.00 0.00 C ATOM 1522 C ALA A 96 12.637 -1.916 -2.488 1.00 0.00 C ATOM 1523 O ALA A 96 11.957 -1.672 -3.467 1.00 0.00 O ATOM 1524 CB ALA A 96 11.863 -1.734 -0.095 1.00 0.00 C ATOM 0 H ALA A 96 13.324 -3.617 0.140 1.00 0.00 H new ATOM 0 HA ALA A 96 11.102 -3.098 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.166 -0.940 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.466 -2.297 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.823 -1.297 0.179 1.00 0.00 H new ATOM 1530 N ASN A 97 13.901 -1.566 -2.425 1.00 0.00 N ATOM 1531 CA ASN A 97 14.537 -0.847 -3.570 1.00 0.00 C ATOM 1532 C ASN A 97 14.579 -1.770 -4.792 1.00 0.00 C ATOM 1533 O ASN A 97 14.353 -1.341 -5.907 1.00 0.00 O ATOM 1534 CB ASN A 97 15.954 -0.499 -3.104 1.00 0.00 C ATOM 1535 CG ASN A 97 16.744 0.105 -4.271 1.00 0.00 C ATOM 1536 OD1 ASN A 97 16.317 1.068 -4.875 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.888 -0.424 -4.614 1.00 0.00 N ATOM 0 H ASN A 97 14.516 -1.748 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 97 13.986 0.049 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.912 0.208 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.457 -1.393 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.421 -0.028 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.248 -1.233 -4.108 1.00 0.00 H new ATOM 1544 N GLN A 98 14.855 -3.034 -4.583 1.00 0.00 N ATOM 1545 CA GLN A 98 14.898 -3.995 -5.727 1.00 0.00 C ATOM 1546 C GLN A 98 13.532 -4.037 -6.419 1.00 0.00 C ATOM 1547 O GLN A 98 13.443 -4.034 -7.632 1.00 0.00 O ATOM 1548 CB GLN A 98 15.231 -5.354 -5.100 1.00 0.00 C ATOM 1549 CG GLN A 98 15.732 -6.315 -6.183 1.00 0.00 C ATOM 1550 CD GLN A 98 14.843 -7.562 -6.212 1.00 0.00 C ATOM 1551 OE1 GLN A 98 13.725 -7.513 -6.683 1.00 0.00 O ATOM 1552 NE2 GLN A 98 15.294 -8.687 -5.725 1.00 0.00 N ATOM 0 H GLN A 98 15.052 -3.441 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 98 15.632 -3.712 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.991 -5.233 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.347 -5.767 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.718 -5.823 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.766 -6.597 -5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.233 -8.731 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.707 -9.521 -5.741 1.00 0.00 H new ATOM 1561 N TRP A 99 12.466 -4.054 -5.653 1.00 0.00 N ATOM 1562 CA TRP A 99 11.107 -4.071 -6.268 1.00 0.00 C ATOM 1563 C TRP A 99 10.852 -2.739 -6.977 1.00 0.00 C ATOM 1564 O TRP A 99 10.282 -2.696 -8.051 1.00 0.00 O ATOM 1565 CB TRP A 99 10.129 -4.252 -5.106 1.00 0.00 C ATOM 1566 CG TRP A 99 8.744 -4.387 -5.653 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.366 -5.280 -6.598 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.556 -3.616 -5.319 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.021 -5.107 -6.862 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.477 -4.094 -6.100 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.309 -2.560 -4.424 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.200 -3.544 -5.995 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.025 -2.004 -4.318 1.00 0.00 C ATOM 1574 CH2 TRP A 99 4.973 -2.495 -5.104 1.00 0.00 C ATOM 0 H TRP A 99 12.482 -4.057 -4.633 1.00 0.00 H new ATOM 0 HA TRP A 99 10.998 -4.866 -7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.393 -5.136 -4.526 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.185 -3.399 -4.430 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.010 -6.008 -7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.495 -5.661 -7.538 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.113 -2.174 -3.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.392 -3.928 -6.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.846 -1.193 -3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 99 3.987 -2.061 -5.020 1.00 0.00 H new ATOM 1585 N LEU A 100 11.283 -1.654 -6.382 1.00 0.00 N ATOM 1586 CA LEU A 100 11.085 -0.313 -7.022 1.00 0.00 C ATOM 1587 C LEU A 100 11.757 -0.291 -8.402 1.00 0.00 C ATOM 1588 O LEU A 100 11.253 0.310 -9.333 1.00 0.00 O ATOM 1589 CB LEU A 100 11.745 0.706 -6.082 1.00 0.00 C ATOM 1590 CG LEU A 100 10.737 1.144 -5.016 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.479 1.589 -3.753 1.00 0.00 C ATOM 1592 CD2 LEU A 100 9.904 2.312 -5.553 1.00 0.00 C ATOM 0 H LEU A 100 11.763 -1.637 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 100 10.030 -0.084 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.622 0.265 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.089 1.571 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 100 10.083 0.306 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.757 1.900 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 100 12.073 0.760 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 100 12.136 2.425 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.186 2.625 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.562 3.146 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.371 1.997 -6.450 1.00 0.00 H new