USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 142:sc= 0.507 USER MOD Set 1.2: A 97 THR OG1 : rot 10:sc= -0.161 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.648 (180deg=-1.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.795 K(o=0.8,f=-5.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0738 K(o=-0.074,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 102:sc= 0.614 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.223 USER MOD Single : A 58 GLN : amide:sc= 0.816 K(o=0.82,f=-3.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 58:sc= 0.709 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.283 K(o=-0.28,f=-3.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.726 K(o=-0.73,f=-2.6!) USER MOD Single : A 81 THR OG1 : rot 73:sc= 0.393 USER MOD Single : A 83 CYS SG : rot 83:sc= 0.194 USER MOD Single : A 87 CYS SG : rot -100:sc= -0.509 USER MOD Single : A 89 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-7.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.144) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 107 HIS : no HD1:sc= 0.441 K(o=0.44,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -2.028 2.861 4.360 1.00 73.13 N ATOM 178 CA ALA A 13 -1.842 1.798 5.341 1.00 11.42 C ATOM 179 C ALA A 13 -3.164 1.106 5.657 1.00 22.14 C ATOM 180 O ALA A 13 -3.199 -0.097 5.918 1.00 12.31 O ATOM 181 CB ALA A 13 -1.219 2.355 6.612 1.00 40.22 C ATOM 0 HA ALA A 13 -1.167 1.057 4.913 1.00 11.42 H new ATOM 0 HB1 ALA A 13 -1.086 1.550 7.335 1.00 40.22 H new ATOM 0 HB2 ALA A 13 -0.250 2.797 6.379 1.00 40.22 H new ATOM 0 HB3 ALA A 13 -1.874 3.118 7.034 1.00 40.22 H new ATOM 187 N ASP A 14 -4.249 1.872 5.630 1.00 54.32 N ATOM 188 CA ASP A 14 -5.573 1.332 5.914 1.00 22.05 C ATOM 189 C ASP A 14 -5.979 0.307 4.860 1.00 13.25 C ATOM 190 O ASP A 14 -6.823 -0.552 5.109 1.00 22.42 O ATOM 191 CB ASP A 14 -6.606 2.460 5.971 1.00 14.04 C ATOM 192 CG ASP A 14 -7.714 2.179 6.965 1.00 1.42 C ATOM 193 OD1 ASP A 14 -7.406 1.997 8.162 1.00 23.03 O ATOM 194 OD2 ASP A 14 -8.891 2.144 6.548 1.00 31.52 O ATOM 0 H ASP A 14 -4.237 2.869 5.414 1.00 54.32 H new ATOM 0 HA ASP A 14 -5.535 0.835 6.883 1.00 22.05 H new ATOM 0 HB2 ASP A 14 -6.108 3.392 6.240 1.00 14.04 H new ATOM 0 HB3 ASP A 14 -7.038 2.604 4.981 1.00 14.04 H new ATOM 199 N GLU A 15 -5.372 0.406 3.680 1.00 61.13 N ATOM 200 CA GLU A 15 -5.672 -0.512 2.588 1.00 73.32 C ATOM 201 C GLU A 15 -4.584 -1.574 2.456 1.00 33.25 C ATOM 202 O GLU A 15 -4.855 -2.713 2.073 1.00 33.21 O ATOM 203 CB GLU A 15 -5.815 0.255 1.272 1.00 70.24 C ATOM 204 CG GLU A 15 -6.970 -0.226 0.410 1.00 44.43 C ATOM 205 CD GLU A 15 -7.399 0.802 -0.618 1.00 12.53 C ATOM 206 OE1 GLU A 15 -6.760 1.873 -0.689 1.00 54.32 O ATOM 207 OE2 GLU A 15 -8.372 0.536 -1.353 1.00 41.44 O ATOM 0 H GLU A 15 -4.671 1.112 3.457 1.00 61.13 H new ATOM 0 HA GLU A 15 -6.615 -1.009 2.814 1.00 73.32 H new ATOM 0 HB2 GLU A 15 -5.953 1.314 1.491 1.00 70.24 H new ATOM 0 HB3 GLU A 15 -4.888 0.165 0.706 1.00 70.24 H new ATOM 0 HG2 GLU A 15 -6.680 -1.145 -0.100 1.00 44.43 H new ATOM 0 HG3 GLU A 15 -7.818 -0.471 1.049 1.00 44.43 H new ATOM 214 N LEU A 16 -3.352 -1.192 2.773 1.00 31.11 N ATOM 215 CA LEU A 16 -2.221 -2.110 2.689 1.00 50.30 C ATOM 216 C LEU A 16 -2.235 -3.099 3.850 1.00 72.11 C ATOM 217 O LEU A 16 -1.961 -4.285 3.670 1.00 54.55 O ATOM 218 CB LEU A 16 -0.905 -1.330 2.683 1.00 41.11 C ATOM 219 CG LEU A 16 -0.161 -1.279 1.348 1.00 52.31 C ATOM 220 CD1 LEU A 16 1.283 -0.848 1.558 1.00 31.00 C ATOM 221 CD2 LEU A 16 -0.221 -2.630 0.652 1.00 51.21 C ATOM 0 H LEU A 16 -3.110 -0.253 3.090 1.00 31.11 H new ATOM 0 HA LEU A 16 -2.308 -2.670 1.758 1.00 50.30 H new ATOM 0 HB2 LEU A 16 -1.110 -0.308 3.001 1.00 41.11 H new ATOM 0 HB3 LEU A 16 -0.242 -1.769 3.429 1.00 41.11 H new ATOM 0 HG LEU A 16 -0.649 -0.543 0.710 1.00 52.31 H new ATOM 0 HD11 LEU A 16 1.797 -0.817 0.597 1.00 31.00 H new ATOM 0 HD12 LEU A 16 1.305 0.142 2.013 1.00 31.00 H new ATOM 0 HD13 LEU A 16 1.783 -1.560 2.215 1.00 31.00 H new ATOM 0 HD21 LEU A 16 0.314 -2.575 -0.296 1.00 51.21 H new ATOM 0 HD22 LEU A 16 0.241 -3.387 1.286 1.00 51.21 H new ATOM 0 HD23 LEU A 16 -1.261 -2.898 0.467 1.00 51.21 H new ATOM 233 N GLU A 17 -2.558 -2.601 5.040 1.00 34.41 N ATOM 234 CA GLU A 17 -2.608 -3.443 6.230 1.00 10.03 C ATOM 235 C GLU A 17 -3.752 -4.448 6.137 1.00 43.44 C ATOM 236 O GLU A 17 -3.830 -5.390 6.927 1.00 24.13 O ATOM 237 CB GLU A 17 -2.771 -2.581 7.484 1.00 23.11 C ATOM 238 CG GLU A 17 -1.512 -1.823 7.870 1.00 63.31 C ATOM 239 CD GLU A 17 -1.710 -0.947 9.092 1.00 62.23 C ATOM 240 OE1 GLU A 17 -2.009 -1.496 10.173 1.00 41.22 O ATOM 241 OE2 GLU A 17 -1.566 0.287 8.966 1.00 62.41 O ATOM 0 H GLU A 17 -2.788 -1.621 5.205 1.00 34.41 H new ATOM 0 HA GLU A 17 -1.669 -3.993 6.296 1.00 10.03 H new ATOM 0 HB2 GLU A 17 -3.579 -1.868 7.322 1.00 23.11 H new ATOM 0 HB3 GLU A 17 -3.071 -3.218 8.316 1.00 23.11 H new ATOM 0 HG2 GLU A 17 -0.709 -2.534 8.064 1.00 63.31 H new ATOM 0 HG3 GLU A 17 -1.194 -1.204 7.031 1.00 63.31 H new ATOM 248 N ARG A 18 -4.637 -4.240 5.168 1.00 63.22 N ATOM 249 CA ARG A 18 -5.779 -5.126 4.973 1.00 61.41 C ATOM 250 C ARG A 18 -5.416 -6.284 4.049 1.00 21.31 C ATOM 251 O ARG A 18 -5.881 -7.409 4.237 1.00 21.55 O ATOM 252 CB ARG A 18 -6.962 -4.349 4.394 1.00 12.35 C ATOM 253 CG ARG A 18 -8.288 -4.668 5.064 1.00 22.52 C ATOM 254 CD ARG A 18 -8.958 -5.876 4.425 1.00 52.10 C ATOM 255 NE ARG A 18 -10.376 -5.957 4.763 1.00 63.31 N ATOM 256 CZ ARG A 18 -10.832 -6.449 5.910 1.00 32.13 C ATOM 257 NH1 ARG A 18 -9.984 -6.901 6.824 1.00 45.12 N ATOM 258 NH2 ARG A 18 -12.137 -6.489 6.144 1.00 22.22 N ATOM 0 H ARG A 18 -4.586 -3.466 4.506 1.00 63.22 H new ATOM 0 HA ARG A 18 -6.061 -5.533 5.944 1.00 61.41 H new ATOM 0 HB2 ARG A 18 -6.765 -3.281 4.488 1.00 12.35 H new ATOM 0 HB3 ARG A 18 -7.042 -4.566 3.329 1.00 12.35 H new ATOM 0 HG2 ARG A 18 -8.124 -4.860 6.124 1.00 22.52 H new ATOM 0 HG3 ARG A 18 -8.949 -3.804 4.994 1.00 22.52 H new ATOM 0 HD2 ARG A 18 -8.846 -5.822 3.342 1.00 52.10 H new ATOM 0 HD3 ARG A 18 -8.455 -6.785 4.753 1.00 52.10 H new ATOM 0 HE ARG A 18 -11.054 -5.617 4.081 1.00 63.31 H new ATOM 0 HH11 ARG A 18 -8.980 -6.871 6.647 1.00 45.12 H new ATOM 0 HH12 ARG A 18 -10.336 -7.278 7.704 1.00 45.12 H new ATOM 0 HH21 ARG A 18 -12.792 -6.142 5.443 1.00 22.22 H new ATOM 0 HH22 ARG A 18 -12.486 -6.867 7.025 1.00 22.22 H new ATOM 272 N ILE A 19 -4.584 -6.002 3.052 1.00 50.53 N ATOM 273 CA ILE A 19 -4.159 -7.020 2.101 1.00 3.42 C ATOM 274 C ILE A 19 -3.089 -7.923 2.703 1.00 72.23 C ATOM 275 O ILE A 19 -2.204 -7.460 3.423 1.00 14.33 O ATOM 276 CB ILE A 19 -3.612 -6.388 0.807 1.00 0.14 C ATOM 277 CG1 ILE A 19 -4.636 -5.418 0.214 1.00 42.35 C ATOM 278 CG2 ILE A 19 -3.254 -7.469 -0.201 1.00 33.12 C ATOM 279 CD1 ILE A 19 -4.097 -4.598 -0.937 1.00 12.11 C ATOM 0 H ILE A 19 -4.191 -5.076 2.882 1.00 50.53 H new ATOM 0 HA ILE A 19 -5.040 -7.615 1.862 1.00 3.42 H new ATOM 0 HB ILE A 19 -2.708 -5.830 1.048 1.00 0.14 H new ATOM 0 HG12 ILE A 19 -5.503 -5.983 -0.128 1.00 42.35 H new ATOM 0 HG13 ILE A 19 -4.983 -4.745 0.998 1.00 42.35 H new ATOM 0 HG21 ILE A 19 -2.869 -7.006 -1.110 1.00 33.12 H new ATOM 0 HG22 ILE A 19 -2.493 -8.124 0.223 1.00 33.12 H new ATOM 0 HG23 ILE A 19 -4.143 -8.053 -0.440 1.00 33.12 H new ATOM 0 HD11 ILE A 19 -4.878 -3.933 -1.307 1.00 12.11 H new ATOM 0 HD12 ILE A 19 -3.248 -4.006 -0.596 1.00 12.11 H new ATOM 0 HD13 ILE A 19 -3.777 -5.263 -1.739 1.00 12.11 H new ATOM 291 N ARG A 20 -3.176 -9.215 2.404 1.00 33.22 N ATOM 292 CA ARG A 20 -2.215 -10.184 2.915 1.00 73.32 C ATOM 293 C ARG A 20 -1.371 -10.763 1.783 1.00 71.44 C ATOM 294 O ARG A 20 -1.763 -10.718 0.616 1.00 62.41 O ATOM 295 CB ARG A 20 -2.938 -11.312 3.654 1.00 60.10 C ATOM 296 CG ARG A 20 -4.023 -10.822 4.600 1.00 23.14 C ATOM 297 CD ARG A 20 -4.105 -11.686 5.848 1.00 41.14 C ATOM 298 NE ARG A 20 -5.447 -12.225 6.053 1.00 62.42 N ATOM 299 CZ ARG A 20 -5.863 -12.741 7.205 1.00 20.43 C ATOM 300 NH1 ARG A 20 -5.046 -12.788 8.248 1.00 31.54 N ATOM 301 NH2 ARG A 20 -7.099 -13.213 7.314 1.00 32.11 N ATOM 0 H ARG A 20 -3.903 -9.615 1.810 1.00 33.22 H new ATOM 0 HA ARG A 20 -1.554 -9.668 3.611 1.00 73.32 H new ATOM 0 HB2 ARG A 20 -3.383 -11.987 2.923 1.00 60.10 H new ATOM 0 HB3 ARG A 20 -2.208 -11.891 4.220 1.00 60.10 H new ATOM 0 HG2 ARG A 20 -3.821 -9.789 4.884 1.00 23.14 H new ATOM 0 HG3 ARG A 20 -4.985 -10.829 4.087 1.00 23.14 H new ATOM 0 HD2 ARG A 20 -3.393 -12.507 5.768 1.00 41.14 H new ATOM 0 HD3 ARG A 20 -3.815 -11.096 6.717 1.00 41.14 H new ATOM 0 HE ARG A 20 -6.100 -12.204 5.270 1.00 62.42 H new ATOM 0 HH11 ARG A 20 -4.095 -12.428 8.168 1.00 31.54 H new ATOM 0 HH12 ARG A 20 -5.368 -13.185 9.131 1.00 31.54 H new ATOM 0 HH21 ARG A 20 -7.730 -13.180 6.513 1.00 32.11 H new ATOM 0 HH22 ARG A 20 -7.418 -13.609 8.198 1.00 32.11 H new ATOM 315 N LEU A 21 -0.210 -11.307 2.135 1.00 41.45 N ATOM 316 CA LEU A 21 0.690 -11.895 1.149 1.00 44.54 C ATOM 317 C LEU A 21 0.186 -13.263 0.700 1.00 15.51 C ATOM 318 O LEU A 21 0.404 -13.670 -0.442 1.00 63.44 O ATOM 319 CB LEU A 21 2.099 -12.022 1.728 1.00 72.32 C ATOM 320 CG LEU A 21 2.788 -10.712 2.114 1.00 44.02 C ATOM 321 CD1 LEU A 21 4.155 -10.986 2.722 1.00 23.44 C ATOM 322 CD2 LEU A 21 2.913 -9.798 0.904 1.00 1.03 C ATOM 0 H LEU A 21 0.130 -11.353 3.096 1.00 41.45 H new ATOM 0 HA LEU A 21 0.719 -11.236 0.281 1.00 44.54 H new ATOM 0 HB2 LEU A 21 2.051 -12.658 2.612 1.00 72.32 H new ATOM 0 HB3 LEU A 21 2.725 -12.537 0.999 1.00 72.32 H new ATOM 0 HG LEU A 21 2.175 -10.209 2.862 1.00 44.02 H new ATOM 0 HD11 LEU A 21 4.630 -10.042 2.990 1.00 23.44 H new ATOM 0 HD12 LEU A 21 4.040 -11.601 3.615 1.00 23.44 H new ATOM 0 HD13 LEU A 21 4.777 -11.512 1.997 1.00 23.44 H new ATOM 0 HD21 LEU A 21 3.405 -8.871 1.198 1.00 1.03 H new ATOM 0 HD22 LEU A 21 3.503 -10.294 0.133 1.00 1.03 H new ATOM 0 HD23 LEU A 21 1.920 -9.574 0.513 1.00 1.03 H new ATOM 334 N ARG A 22 -0.489 -13.965 1.603 1.00 12.40 N ATOM 335 CA ARG A 22 -1.024 -15.287 1.299 1.00 63.12 C ATOM 336 C ARG A 22 -2.546 -15.292 1.397 1.00 65.12 C ATOM 337 O ARG A 22 -3.157 -14.422 2.019 1.00 21.30 O ATOM 338 CB ARG A 22 -0.437 -16.329 2.253 1.00 42.13 C ATOM 339 CG ARG A 22 0.837 -16.978 1.738 1.00 21.14 C ATOM 340 CD ARG A 22 1.471 -17.874 2.790 1.00 10.33 C ATOM 341 NE ARG A 22 2.435 -18.803 2.208 1.00 74.12 N ATOM 342 CZ ARG A 22 2.847 -19.911 2.815 1.00 45.22 C ATOM 343 NH1 ARG A 22 2.380 -20.226 4.016 1.00 3.04 N ATOM 344 NH2 ARG A 22 3.727 -20.707 2.221 1.00 30.11 N ATOM 0 H ARG A 22 -0.679 -13.641 2.551 1.00 12.40 H new ATOM 0 HA ARG A 22 -0.742 -15.540 0.277 1.00 63.12 H new ATOM 0 HB2 ARG A 22 -0.231 -15.855 3.213 1.00 42.13 H new ATOM 0 HB3 ARG A 22 -1.182 -17.104 2.434 1.00 42.13 H new ATOM 0 HG2 ARG A 22 0.613 -17.564 0.847 1.00 21.14 H new ATOM 0 HG3 ARG A 22 1.546 -16.205 1.442 1.00 21.14 H new ATOM 0 HD2 ARG A 22 1.968 -17.258 3.539 1.00 10.33 H new ATOM 0 HD3 ARG A 22 0.692 -18.436 3.305 1.00 10.33 H new ATOM 0 HE ARG A 22 2.813 -18.590 1.285 1.00 74.12 H new ATOM 0 HH11 ARG A 22 1.703 -19.617 4.476 1.00 3.04 H new ATOM 0 HH12 ARG A 22 2.698 -21.077 4.480 1.00 3.04 H new ATOM 0 HH21 ARG A 22 4.088 -20.469 1.297 1.00 30.11 H new ATOM 0 HH22 ARG A 22 4.042 -21.557 2.688 1.00 30.11 H new ATOM 358 N PRO A 23 -3.176 -16.295 0.767 1.00 51.14 N ATOM 359 CA PRO A 23 -4.636 -16.438 0.768 1.00 75.30 C ATOM 360 C PRO A 23 -5.179 -16.827 2.139 1.00 23.32 C ATOM 361 O PRO A 23 -6.285 -16.437 2.512 1.00 14.00 O ATOM 362 CB PRO A 23 -4.882 -17.561 -0.243 1.00 72.33 C ATOM 363 CG PRO A 23 -3.620 -18.352 -0.245 1.00 23.45 C ATOM 364 CD PRO A 23 -2.513 -17.368 0.007 1.00 12.34 C ATOM 0 HA PRO A 23 -5.138 -15.503 0.518 1.00 75.30 H new ATOM 0 HB2 PRO A 23 -5.734 -18.176 0.048 1.00 72.33 H new ATOM 0 HB3 PRO A 23 -5.100 -17.161 -1.233 1.00 72.33 H new ATOM 0 HG2 PRO A 23 -3.641 -19.122 0.527 1.00 23.45 H new ATOM 0 HG3 PRO A 23 -3.480 -18.861 -1.199 1.00 23.45 H new ATOM 0 HD2 PRO A 23 -1.698 -17.817 0.574 1.00 12.34 H new ATOM 0 HD3 PRO A 23 -2.086 -16.996 -0.925 1.00 12.34 H new ATOM 372 N GLY A 24 -4.393 -17.598 2.886 1.00 11.54 N ATOM 373 CA GLY A 24 -4.813 -18.026 4.207 1.00 50.54 C ATOM 374 C GLY A 24 -3.703 -17.913 5.233 1.00 3.51 C ATOM 375 O GLY A 24 -3.657 -18.678 6.195 1.00 33.02 O ATOM 0 H GLY A 24 -3.473 -17.933 2.599 1.00 11.54 H new ATOM 0 HA2 GLY A 24 -5.663 -17.423 4.528 1.00 50.54 H new ATOM 0 HA3 GLY A 24 -5.155 -19.060 4.159 1.00 50.54 H new ATOM 379 N GLY A 25 -2.805 -16.954 5.028 1.00 10.32 N ATOM 380 CA GLY A 25 -1.701 -16.762 5.950 1.00 34.45 C ATOM 381 C GLY A 25 -1.923 -15.590 6.885 1.00 60.30 C ATOM 382 O GLY A 25 -2.960 -14.929 6.830 1.00 22.42 O ATOM 0 H GLY A 25 -2.823 -16.307 4.240 1.00 10.32 H new ATOM 0 HA2 GLY A 25 -1.560 -17.669 6.537 1.00 34.45 H new ATOM 0 HA3 GLY A 25 -0.783 -16.603 5.384 1.00 34.45 H new ATOM 386 N LYS A 26 -0.947 -15.331 7.748 1.00 43.32 N ATOM 387 CA LYS A 26 -1.039 -14.231 8.701 1.00 1.22 C ATOM 388 C LYS A 26 -0.013 -13.148 8.383 1.00 1.13 C ATOM 389 O LYS A 26 0.496 -12.477 9.282 1.00 23.23 O ATOM 390 CB LYS A 26 -0.830 -14.744 10.127 1.00 42.13 C ATOM 391 CG LYS A 26 -1.452 -13.857 11.191 1.00 44.12 C ATOM 392 CD LYS A 26 -0.427 -13.427 12.228 1.00 4.13 C ATOM 393 CE LYS A 26 -0.918 -12.235 13.036 1.00 24.43 C ATOM 394 NZ LYS A 26 -0.060 -11.981 14.226 1.00 52.21 N ATOM 0 H LYS A 26 -0.082 -15.868 7.807 1.00 43.32 H new ATOM 0 HA LYS A 26 -2.036 -13.797 8.621 1.00 1.22 H new ATOM 0 HB2 LYS A 26 -1.252 -15.746 10.209 1.00 42.13 H new ATOM 0 HB3 LYS A 26 0.239 -14.832 10.319 1.00 42.13 H new ATOM 0 HG2 LYS A 26 -1.888 -12.975 10.722 1.00 44.12 H new ATOM 0 HG3 LYS A 26 -2.265 -14.392 11.682 1.00 44.12 H new ATOM 0 HD2 LYS A 26 -0.215 -14.260 12.898 1.00 4.13 H new ATOM 0 HD3 LYS A 26 0.509 -13.171 11.732 1.00 4.13 H new ATOM 0 HE2 LYS A 26 -0.932 -11.348 12.403 1.00 24.43 H new ATOM 0 HE3 LYS A 26 -1.944 -12.413 13.359 1.00 24.43 H new ATOM 0 HZ1 LYS A 26 -0.427 -11.161 14.750 1.00 52.21 H new ATOM 0 HZ2 LYS A 26 -0.066 -12.818 14.843 1.00 52.21 H new ATOM 0 HZ3 LYS A 26 0.914 -11.786 13.917 1.00 52.21 H new ATOM 408 N LYS A 27 0.288 -12.983 7.100 1.00 10.42 N ATOM 409 CA LYS A 27 1.251 -11.980 6.662 1.00 10.04 C ATOM 410 C LYS A 27 0.553 -10.836 5.931 1.00 74.34 C ATOM 411 O LYS A 27 -0.002 -11.025 4.849 1.00 41.33 O ATOM 412 CB LYS A 27 2.302 -12.617 5.749 1.00 13.31 C ATOM 413 CG LYS A 27 3.731 -12.291 6.147 1.00 54.31 C ATOM 414 CD LYS A 27 4.732 -13.116 5.356 1.00 34.03 C ATOM 415 CE LYS A 27 6.154 -12.615 5.562 1.00 3.04 C ATOM 416 NZ LYS A 27 6.372 -11.287 4.924 1.00 43.20 N ATOM 0 H LYS A 27 -0.122 -13.532 6.344 1.00 10.42 H new ATOM 0 HA LYS A 27 1.743 -11.575 7.546 1.00 10.04 H new ATOM 0 HB2 LYS A 27 2.170 -13.699 5.756 1.00 13.31 H new ATOM 0 HB3 LYS A 27 2.133 -12.282 4.726 1.00 13.31 H new ATOM 0 HG2 LYS A 27 3.922 -11.230 5.983 1.00 54.31 H new ATOM 0 HG3 LYS A 27 3.865 -12.478 7.212 1.00 54.31 H new ATOM 0 HD2 LYS A 27 4.665 -14.161 5.660 1.00 34.03 H new ATOM 0 HD3 LYS A 27 4.481 -13.076 4.296 1.00 34.03 H new ATOM 0 HE2 LYS A 27 6.363 -12.544 6.629 1.00 3.04 H new ATOM 0 HE3 LYS A 27 6.857 -13.337 5.147 1.00 3.04 H new ATOM 0 HZ1 LYS A 27 7.170 -10.807 5.386 1.00 43.20 H new ATOM 0 HZ2 LYS A 27 6.584 -11.418 3.914 1.00 43.20 H new ATOM 0 HZ3 LYS A 27 5.514 -10.708 5.026 1.00 43.20 H new ATOM 430 N LYS A 28 0.588 -9.650 6.529 1.00 61.12 N ATOM 431 CA LYS A 28 -0.038 -8.475 5.935 1.00 40.24 C ATOM 432 C LYS A 28 1.014 -7.511 5.398 1.00 60.11 C ATOM 433 O LYS A 28 2.035 -7.269 6.043 1.00 12.01 O ATOM 434 CB LYS A 28 -0.918 -7.764 6.966 1.00 31.22 C ATOM 435 CG LYS A 28 -2.186 -8.525 7.312 1.00 32.42 C ATOM 436 CD LYS A 28 -3.037 -7.765 8.315 1.00 3.23 C ATOM 437 CE LYS A 28 -3.375 -8.623 9.524 1.00 41.21 C ATOM 438 NZ LYS A 28 -3.488 -7.810 10.766 1.00 73.04 N ATOM 0 H LYS A 28 1.044 -9.477 7.425 1.00 61.12 H new ATOM 0 HA LYS A 28 -0.659 -8.807 5.103 1.00 40.24 H new ATOM 0 HB2 LYS A 28 -0.340 -7.605 7.876 1.00 31.22 H new ATOM 0 HB3 LYS A 28 -1.188 -6.780 6.584 1.00 31.22 H new ATOM 0 HG2 LYS A 28 -2.763 -8.703 6.405 1.00 32.42 H new ATOM 0 HG3 LYS A 28 -1.925 -9.501 7.721 1.00 32.42 H new ATOM 0 HD2 LYS A 28 -2.506 -6.870 8.640 1.00 3.23 H new ATOM 0 HD3 LYS A 28 -3.957 -7.433 7.835 1.00 3.23 H new ATOM 0 HE2 LYS A 28 -4.314 -9.147 9.346 1.00 41.21 H new ATOM 0 HE3 LYS A 28 -2.605 -9.383 9.656 1.00 41.21 H new ATOM 0 HZ1 LYS A 28 -3.719 -8.431 11.568 1.00 73.04 H new ATOM 0 HZ2 LYS A 28 -2.584 -7.330 10.950 1.00 73.04 H new ATOM 0 HZ3 LYS A 28 -4.240 -7.101 10.649 1.00 73.04 H new ATOM 452 N TYR A 29 0.759 -6.962 4.216 1.00 14.04 N ATOM 453 CA TYR A 29 1.685 -6.025 3.592 1.00 11.32 C ATOM 454 C TYR A 29 2.068 -4.911 4.562 1.00 0.34 C ATOM 455 O TYR A 29 1.243 -4.447 5.349 1.00 13.43 O ATOM 456 CB TYR A 29 1.064 -5.425 2.329 1.00 61.42 C ATOM 457 CG TYR A 29 1.363 -6.215 1.074 1.00 62.03 C ATOM 458 CD1 TYR A 29 2.648 -6.260 0.548 1.00 50.01 C ATOM 459 CD2 TYR A 29 0.360 -6.915 0.415 1.00 72.15 C ATOM 460 CE1 TYR A 29 2.926 -6.980 -0.598 1.00 11.54 C ATOM 461 CE2 TYR A 29 0.629 -7.639 -0.730 1.00 33.12 C ATOM 462 CZ TYR A 29 1.913 -7.667 -1.233 1.00 14.23 C ATOM 463 OH TYR A 29 2.185 -8.385 -2.376 1.00 3.12 O ATOM 0 H TYR A 29 -0.082 -7.150 3.670 1.00 14.04 H new ATOM 0 HA TYR A 29 2.587 -6.572 3.320 1.00 11.32 H new ATOM 0 HB2 TYR A 29 -0.016 -5.362 2.460 1.00 61.42 H new ATOM 0 HB3 TYR A 29 1.430 -4.406 2.203 1.00 61.42 H new ATOM 0 HD1 TYR A 29 3.443 -5.723 1.043 1.00 50.01 H new ATOM 0 HD2 TYR A 29 -0.647 -6.893 0.805 1.00 72.15 H new ATOM 0 HE1 TYR A 29 3.930 -7.005 -0.994 1.00 11.54 H new ATOM 0 HE2 TYR A 29 -0.162 -8.180 -1.229 1.00 33.12 H new ATOM 0 HH TYR A 29 1.661 -9.213 -2.374 1.00 3.12 H new ATOM 473 N ARG A 30 3.326 -4.485 4.497 1.00 65.13 N ATOM 474 CA ARG A 30 3.819 -3.427 5.369 1.00 12.32 C ATOM 475 C ARG A 30 4.879 -2.588 4.659 1.00 41.42 C ATOM 476 O ARG A 30 5.492 -3.035 3.689 1.00 71.14 O ATOM 477 CB ARG A 30 4.400 -4.022 6.652 1.00 61.54 C ATOM 478 CG ARG A 30 3.773 -3.467 7.921 1.00 22.22 C ATOM 479 CD ARG A 30 4.660 -3.707 9.132 1.00 65.13 C ATOM 480 NE ARG A 30 4.109 -4.729 10.019 1.00 60.23 N ATOM 481 CZ ARG A 30 4.799 -5.297 11.002 1.00 45.25 C ATOM 482 NH1 ARG A 30 6.058 -4.944 11.224 1.00 22.22 N ATOM 483 NH2 ARG A 30 4.229 -6.220 11.766 1.00 53.10 N ATOM 0 H ARG A 30 4.021 -4.857 3.850 1.00 65.13 H new ATOM 0 HA ARG A 30 2.979 -2.781 5.625 1.00 12.32 H new ATOM 0 HB2 ARG A 30 4.266 -5.104 6.634 1.00 61.54 H new ATOM 0 HB3 ARG A 30 5.473 -3.834 6.675 1.00 61.54 H new ATOM 0 HG2 ARG A 30 3.597 -2.398 7.804 1.00 22.22 H new ATOM 0 HG3 ARG A 30 2.801 -3.934 8.082 1.00 22.22 H new ATOM 0 HD2 ARG A 30 5.652 -4.012 8.800 1.00 65.13 H new ATOM 0 HD3 ARG A 30 4.781 -2.775 9.684 1.00 65.13 H new ATOM 0 HE ARG A 30 3.143 -5.022 9.876 1.00 60.23 H new ATOM 0 HH11 ARG A 30 6.499 -4.234 10.639 1.00 22.22 H new ATOM 0 HH12 ARG A 30 6.585 -5.382 11.980 1.00 22.22 H new ATOM 0 HH21 ARG A 30 3.261 -6.494 11.599 1.00 53.10 H new ATOM 0 HH22 ARG A 30 4.759 -6.656 12.521 1.00 53.10 H new ATOM 497 N LEU A 31 5.089 -1.371 5.149 1.00 62.32 N ATOM 498 CA LEU A 31 6.073 -0.469 4.562 1.00 71.23 C ATOM 499 C LEU A 31 7.362 -1.214 4.229 1.00 14.33 C ATOM 500 O LEU A 31 8.025 -0.915 3.236 1.00 35.44 O ATOM 501 CB LEU A 31 6.371 0.686 5.520 1.00 2.32 C ATOM 502 CG LEU A 31 5.353 1.827 5.532 1.00 3.33 C ATOM 503 CD1 LEU A 31 4.067 1.388 6.214 1.00 65.12 C ATOM 504 CD2 LEU A 31 5.933 3.053 6.222 1.00 74.01 C ATOM 0 H LEU A 31 4.591 -0.986 5.952 1.00 62.32 H new ATOM 0 HA LEU A 31 5.657 -0.068 3.638 1.00 71.23 H new ATOM 0 HB2 LEU A 31 6.448 0.283 6.530 1.00 2.32 H new ATOM 0 HB3 LEU A 31 7.347 1.099 5.267 1.00 2.32 H new ATOM 0 HG LEU A 31 5.121 2.091 4.500 1.00 3.33 H new ATOM 0 HD11 LEU A 31 3.355 2.213 6.213 1.00 65.12 H new ATOM 0 HD12 LEU A 31 3.641 0.540 5.677 1.00 65.12 H new ATOM 0 HD13 LEU A 31 4.282 1.095 7.242 1.00 65.12 H new ATOM 0 HD21 LEU A 31 5.194 3.855 6.221 1.00 74.01 H new ATOM 0 HD22 LEU A 31 6.195 2.802 7.250 1.00 74.01 H new ATOM 0 HD23 LEU A 31 6.826 3.382 5.690 1.00 74.01 H new ATOM 516 N LYS A 32 7.712 -2.185 5.066 1.00 4.30 N ATOM 517 CA LYS A 32 8.920 -2.976 4.860 1.00 4.14 C ATOM 518 C LYS A 32 8.996 -3.489 3.426 1.00 3.02 C ATOM 519 O LYS A 32 10.060 -3.478 2.807 1.00 64.22 O ATOM 520 CB LYS A 32 8.957 -4.152 5.837 1.00 22.11 C ATOM 521 CG LYS A 32 9.889 -3.936 7.016 1.00 35.24 C ATOM 522 CD LYS A 32 9.518 -2.688 7.798 1.00 52.05 C ATOM 523 CE LYS A 32 10.259 -2.621 9.125 1.00 74.21 C ATOM 524 NZ LYS A 32 9.403 -2.072 10.212 1.00 3.31 N ATOM 0 H LYS A 32 7.176 -2.443 5.894 1.00 4.30 H new ATOM 0 HA LYS A 32 9.781 -2.333 5.043 1.00 4.14 H new ATOM 0 HB2 LYS A 32 7.949 -4.335 6.210 1.00 22.11 H new ATOM 0 HB3 LYS A 32 9.266 -5.049 5.301 1.00 22.11 H new ATOM 0 HG2 LYS A 32 9.851 -4.804 7.675 1.00 35.24 H new ATOM 0 HG3 LYS A 32 10.915 -3.851 6.659 1.00 35.24 H new ATOM 0 HD2 LYS A 32 9.750 -1.803 7.205 1.00 52.05 H new ATOM 0 HD3 LYS A 32 8.443 -2.677 7.979 1.00 52.05 H new ATOM 0 HE2 LYS A 32 10.600 -3.619 9.401 1.00 74.21 H new ATOM 0 HE3 LYS A 32 11.147 -1.999 9.014 1.00 74.21 H new ATOM 0 HZ1 LYS A 32 9.945 -2.043 11.099 1.00 3.31 H new ATOM 0 HZ2 LYS A 32 9.098 -1.110 9.961 1.00 3.31 H new ATOM 0 HZ3 LYS A 32 8.568 -2.679 10.336 1.00 3.31 H new ATOM 538 N HIS A 33 7.858 -3.937 2.901 1.00 74.42 N ATOM 539 CA HIS A 33 7.796 -4.454 1.538 1.00 33.42 C ATOM 540 C HIS A 33 7.858 -3.315 0.524 1.00 41.02 C ATOM 541 O HIS A 33 8.500 -3.512 -0.508 1.00 10.35 O ATOM 542 CB HIS A 33 6.514 -5.264 1.335 1.00 34.03 C ATOM 543 CG HIS A 33 6.313 -6.332 2.365 1.00 24.54 C ATOM 544 ND1 HIS A 33 5.309 -6.289 3.308 1.00 44.53 N ATOM 545 CD2 HIS A 33 6.993 -7.480 2.595 1.00 54.41 C ATOM 546 CE1 HIS A 33 5.380 -7.362 4.074 1.00 60.44 C ATOM 547 NE2 HIS A 33 6.394 -8.101 3.662 1.00 31.53 N ATOM 0 H HIS A 33 6.968 -3.952 3.399 1.00 74.42 H new ATOM 0 HA HIS A 33 8.656 -5.105 1.382 1.00 33.42 H new ATOM 0 HB2 HIS A 33 5.660 -4.587 1.353 1.00 34.03 H new ATOM 0 HB3 HIS A 33 6.536 -5.723 0.347 1.00 34.03 H new ATOM 0 HD2 HIS A 33 7.848 -7.840 2.042 1.00 54.41 H new ATOM 0 HE1 HIS A 33 4.721 -7.596 4.897 1.00 60.44 H new ATOM 0 HE2 HIS A 33 6.685 -8.989 4.071 1.00 31.53 H new ATOM 555 N ILE A 34 7.231 -2.172 0.780 1.00 22.25 N ATOM 556 CA ILE A 34 7.263 -1.057 -0.158 1.00 14.13 C ATOM 557 C ILE A 34 8.688 -0.551 -0.363 1.00 64.11 C ATOM 558 O ILE A 34 9.064 -0.153 -1.465 1.00 0.42 O ATOM 559 CB ILE A 34 6.380 0.110 0.322 1.00 71.43 C ATOM 560 CG1 ILE A 34 5.011 -0.409 0.768 1.00 51.23 C ATOM 561 CG2 ILE A 34 6.226 1.147 -0.780 1.00 75.22 C ATOM 562 CD1 ILE A 34 4.030 0.692 1.110 1.00 33.42 C ATOM 0 H ILE A 34 6.695 -1.994 1.629 1.00 22.25 H new ATOM 0 HA ILE A 34 6.873 -1.431 -1.105 1.00 14.13 H new ATOM 0 HB ILE A 34 6.864 0.585 1.175 1.00 71.43 H new ATOM 0 HG12 ILE A 34 4.590 -1.027 -0.025 1.00 51.23 H new ATOM 0 HG13 ILE A 34 5.141 -1.052 1.638 1.00 51.23 H new ATOM 0 HG21 ILE A 34 5.599 1.965 -0.425 1.00 75.22 H new ATOM 0 HG22 ILE A 34 7.207 1.534 -1.055 1.00 75.22 H new ATOM 0 HG23 ILE A 34 5.761 0.686 -1.651 1.00 75.22 H new ATOM 0 HD11 ILE A 34 3.082 0.252 1.418 1.00 33.42 H new ATOM 0 HD12 ILE A 34 4.431 1.296 1.924 1.00 33.42 H new ATOM 0 HD13 ILE A 34 3.871 1.322 0.235 1.00 33.42 H new ATOM 574 N VAL A 35 9.476 -0.571 0.707 1.00 51.12 N ATOM 575 CA VAL A 35 10.860 -0.117 0.645 1.00 73.54 C ATOM 576 C VAL A 35 11.718 -1.080 -0.167 1.00 34.41 C ATOM 577 O VAL A 35 12.615 -0.662 -0.898 1.00 53.34 O ATOM 578 CB VAL A 35 11.466 0.029 2.055 1.00 3.14 C ATOM 579 CG1 VAL A 35 12.925 0.447 1.967 1.00 75.34 C ATOM 580 CG2 VAL A 35 10.665 1.027 2.877 1.00 52.15 C ATOM 0 H VAL A 35 9.180 -0.897 1.627 1.00 51.12 H new ATOM 0 HA VAL A 35 10.852 0.858 0.157 1.00 73.54 H new ATOM 0 HB VAL A 35 11.420 -0.939 2.555 1.00 3.14 H new ATOM 0 HG11 VAL A 35 13.337 0.545 2.972 1.00 75.34 H new ATOM 0 HG12 VAL A 35 13.487 -0.308 1.417 1.00 75.34 H new ATOM 0 HG13 VAL A 35 12.999 1.403 1.449 1.00 75.34 H new ATOM 0 HG21 VAL A 35 11.106 1.118 3.870 1.00 52.15 H new ATOM 0 HG22 VAL A 35 10.678 1.999 2.383 1.00 52.15 H new ATOM 0 HG23 VAL A 35 9.636 0.680 2.968 1.00 52.15 H new ATOM 590 N TRP A 36 11.436 -2.371 -0.035 1.00 62.04 N ATOM 591 CA TRP A 36 12.182 -3.394 -0.758 1.00 74.42 C ATOM 592 C TRP A 36 11.887 -3.329 -2.252 1.00 12.23 C ATOM 593 O TRP A 36 12.768 -3.563 -3.079 1.00 71.33 O ATOM 594 CB TRP A 36 11.838 -4.784 -0.218 1.00 43.43 C ATOM 595 CG TRP A 36 12.466 -5.897 -0.999 1.00 31.23 C ATOM 596 CD1 TRP A 36 13.598 -6.589 -0.675 1.00 71.43 C ATOM 597 CD2 TRP A 36 12.000 -6.446 -2.238 1.00 51.15 C ATOM 598 NE1 TRP A 36 13.863 -7.535 -1.635 1.00 53.32 N ATOM 599 CE2 TRP A 36 12.897 -7.468 -2.605 1.00 42.34 C ATOM 600 CE3 TRP A 36 10.911 -6.174 -3.070 1.00 21.23 C ATOM 601 CZ2 TRP A 36 12.737 -8.215 -3.768 1.00 34.22 C ATOM 602 CZ3 TRP A 36 10.754 -6.917 -4.225 1.00 71.21 C ATOM 603 CH2 TRP A 36 11.663 -7.928 -4.564 1.00 20.44 C ATOM 0 H TRP A 36 10.696 -2.734 0.566 1.00 62.04 H new ATOM 0 HA TRP A 36 13.245 -3.207 -0.608 1.00 74.42 H new ATOM 0 HB2 TRP A 36 12.160 -4.852 0.821 1.00 43.43 H new ATOM 0 HB3 TRP A 36 10.755 -4.911 -0.225 1.00 43.43 H new ATOM 0 HD1 TRP A 36 14.197 -6.417 0.207 1.00 71.43 H new ATOM 0 HE1 TRP A 36 14.651 -8.183 -1.627 1.00 53.32 H new ATOM 0 HE3 TRP A 36 10.205 -5.398 -2.815 1.00 21.23 H new ATOM 0 HZ2 TRP A 36 13.437 -8.994 -4.033 1.00 34.22 H new ATOM 0 HZ3 TRP A 36 9.917 -6.715 -4.877 1.00 71.21 H new ATOM 0 HH2 TRP A 36 11.512 -8.492 -5.473 1.00 20.44 H new ATOM 614 N ALA A 37 10.643 -3.009 -2.592 1.00 4.13 N ATOM 615 CA ALA A 37 10.233 -2.911 -3.988 1.00 53.31 C ATOM 616 C ALA A 37 10.860 -1.694 -4.659 1.00 34.03 C ATOM 617 O ALA A 37 11.527 -1.815 -5.687 1.00 22.05 O ATOM 618 CB ALA A 37 8.717 -2.849 -4.090 1.00 65.02 C ATOM 0 H ALA A 37 9.901 -2.813 -1.920 1.00 4.13 H new ATOM 0 HA ALA A 37 10.585 -3.802 -4.508 1.00 53.31 H new ATOM 0 HB1 ALA A 37 8.426 -2.776 -5.138 1.00 65.02 H new ATOM 0 HB2 ALA A 37 8.286 -3.751 -3.655 1.00 65.02 H new ATOM 0 HB3 ALA A 37 8.351 -1.976 -3.550 1.00 65.02 H new ATOM 624 N ALA A 38 10.643 -0.522 -4.073 1.00 22.41 N ATOM 625 CA ALA A 38 11.188 0.717 -4.614 1.00 62.43 C ATOM 626 C ALA A 38 12.693 0.606 -4.828 1.00 15.43 C ATOM 627 O ALA A 38 13.252 1.251 -5.715 1.00 64.21 O ATOM 628 CB ALA A 38 10.868 1.883 -3.690 1.00 64.11 C ATOM 0 H ALA A 38 10.093 -0.404 -3.222 1.00 22.41 H new ATOM 0 HA ALA A 38 10.722 0.898 -5.583 1.00 62.43 H new ATOM 0 HB1 ALA A 38 11.281 2.802 -4.107 1.00 64.11 H new ATOM 0 HB2 ALA A 38 9.787 1.983 -3.592 1.00 64.11 H new ATOM 0 HB3 ALA A 38 11.306 1.701 -2.709 1.00 64.11 H new ATOM 634 N ASN A 39 13.344 -0.214 -4.010 1.00 33.12 N ATOM 635 CA ASN A 39 14.786 -0.407 -4.110 1.00 13.22 C ATOM 636 C ASN A 39 15.160 -1.032 -5.451 1.00 63.15 C ATOM 637 O ASN A 39 16.267 -0.837 -5.953 1.00 42.42 O ATOM 638 CB ASN A 39 15.284 -1.293 -2.965 1.00 10.13 C ATOM 639 CG ASN A 39 16.679 -0.915 -2.507 1.00 0.22 C ATOM 640 OD1 ASN A 39 17.375 -0.145 -3.169 1.00 51.21 O ATOM 641 ND2 ASN A 39 17.095 -1.459 -1.369 1.00 61.13 N ATOM 0 H ASN A 39 12.896 -0.755 -3.271 1.00 33.12 H new ATOM 0 HA ASN A 39 15.264 0.570 -4.039 1.00 13.22 H new ATOM 0 HB2 ASN A 39 14.595 -1.216 -2.124 1.00 10.13 H new ATOM 0 HB3 ASN A 39 15.280 -2.334 -3.287 1.00 10.13 H new ATOM 0 HD21 ASN A 39 18.025 -1.244 -1.011 1.00 61.13 H new ATOM 0 HD22 ASN A 39 16.484 -2.092 -0.853 1.00 61.13 H new ATOM 648 N LYS A 40 14.228 -1.785 -6.027 1.00 50.22 N ATOM 649 CA LYS A 40 14.456 -2.438 -7.310 1.00 54.20 C ATOM 650 C LYS A 40 14.234 -1.464 -8.463 1.00 74.53 C ATOM 651 O LYS A 40 15.065 -1.356 -9.367 1.00 61.22 O ATOM 652 CB LYS A 40 13.530 -3.646 -7.462 1.00 32.32 C ATOM 653 CG LYS A 40 14.268 -4.948 -7.727 1.00 44.21 C ATOM 654 CD LYS A 40 14.793 -5.563 -6.441 1.00 51.03 C ATOM 655 CE LYS A 40 16.311 -5.494 -6.370 1.00 1.53 C ATOM 656 NZ LYS A 40 16.822 -5.873 -5.023 1.00 14.34 N ATOM 0 H LYS A 40 13.307 -1.958 -5.624 1.00 50.22 H new ATOM 0 HA LYS A 40 15.492 -2.777 -7.339 1.00 54.20 H new ATOM 0 HB2 LYS A 40 12.935 -3.753 -6.555 1.00 32.32 H new ATOM 0 HB3 LYS A 40 12.834 -3.459 -8.280 1.00 32.32 H new ATOM 0 HG2 LYS A 40 13.599 -5.652 -8.222 1.00 44.21 H new ATOM 0 HG3 LYS A 40 15.098 -4.764 -8.409 1.00 44.21 H new ATOM 0 HD2 LYS A 40 14.364 -5.042 -5.585 1.00 51.03 H new ATOM 0 HD3 LYS A 40 14.471 -6.602 -6.376 1.00 51.03 H new ATOM 0 HE2 LYS A 40 16.740 -6.157 -7.121 1.00 1.53 H new ATOM 0 HE3 LYS A 40 16.640 -4.483 -6.612 1.00 1.53 H new ATOM 0 HZ1 LYS A 40 17.860 -5.813 -5.016 1.00 14.34 H new ATOM 0 HZ2 LYS A 40 16.433 -5.224 -4.309 1.00 14.34 H new ATOM 0 HZ3 LYS A 40 16.530 -6.846 -4.802 1.00 14.34 H new ATOM 670 N LEU A 41 13.110 -0.758 -8.426 1.00 73.34 N ATOM 671 CA LEU A 41 12.779 0.208 -9.468 1.00 43.15 C ATOM 672 C LEU A 41 13.859 1.280 -9.579 1.00 21.14 C ATOM 673 O LEU A 41 14.065 1.858 -10.647 1.00 73.15 O ATOM 674 CB LEU A 41 11.426 0.860 -9.174 1.00 13.10 C ATOM 675 CG LEU A 41 10.279 -0.094 -8.842 1.00 24.32 C ATOM 676 CD1 LEU A 41 9.105 0.669 -8.250 1.00 22.15 C ATOM 677 CD2 LEU A 41 9.848 -0.862 -10.084 1.00 21.01 C ATOM 0 H LEU A 41 12.412 -0.836 -7.686 1.00 73.34 H new ATOM 0 HA LEU A 41 12.721 -0.324 -10.418 1.00 43.15 H new ATOM 0 HB2 LEU A 41 11.551 1.550 -8.339 1.00 13.10 H new ATOM 0 HB3 LEU A 41 11.137 1.456 -10.039 1.00 13.10 H new ATOM 0 HG LEU A 41 10.631 -0.811 -8.100 1.00 24.32 H new ATOM 0 HD11 LEU A 41 8.298 -0.026 -8.020 1.00 22.15 H new ATOM 0 HD12 LEU A 41 9.422 1.172 -7.337 1.00 22.15 H new ATOM 0 HD13 LEU A 41 8.752 1.409 -8.969 1.00 22.15 H new ATOM 0 HD21 LEU A 41 9.031 -1.537 -9.829 1.00 21.01 H new ATOM 0 HD22 LEU A 41 9.515 -0.160 -10.848 1.00 21.01 H new ATOM 0 HD23 LEU A 41 10.690 -1.440 -10.465 1.00 21.01 H new ATOM 689 N ASP A 42 14.546 1.537 -8.472 1.00 12.41 N ATOM 690 CA ASP A 42 15.608 2.537 -8.447 1.00 43.43 C ATOM 691 C ASP A 42 16.807 2.077 -9.270 1.00 73.11 C ATOM 692 O ASP A 42 17.216 2.749 -10.218 1.00 33.10 O ATOM 693 CB ASP A 42 16.039 2.816 -7.007 1.00 55.23 C ATOM 694 CG ASP A 42 15.314 4.004 -6.405 1.00 71.43 C ATOM 695 OD1 ASP A 42 14.163 3.828 -5.953 1.00 50.45 O ATOM 696 OD2 ASP A 42 15.896 5.108 -6.386 1.00 11.51 O ATOM 0 H ASP A 42 14.387 1.068 -7.580 1.00 12.41 H new ATOM 0 HA ASP A 42 15.220 3.456 -8.887 1.00 43.43 H new ATOM 0 HB2 ASP A 42 15.851 1.932 -6.397 1.00 55.23 H new ATOM 0 HB3 ASP A 42 17.113 2.999 -6.981 1.00 55.23 H new ATOM 701 N ARG A 43 17.366 0.930 -8.901 1.00 21.21 N ATOM 702 CA ARG A 43 18.520 0.382 -9.604 1.00 30.42 C ATOM 703 C ARG A 43 18.269 0.336 -11.109 1.00 42.41 C ATOM 704 O ARG A 43 19.130 0.714 -11.904 1.00 20.23 O ATOM 705 CB ARG A 43 18.839 -1.023 -9.088 1.00 22.03 C ATOM 706 CG ARG A 43 20.310 -1.237 -8.773 1.00 74.15 C ATOM 707 CD ARG A 43 20.671 -0.688 -7.401 1.00 2.34 C ATOM 708 NE ARG A 43 22.012 -1.092 -6.986 1.00 11.21 N ATOM 709 CZ ARG A 43 22.712 -0.461 -6.050 1.00 32.13 C ATOM 710 NH1 ARG A 43 22.201 0.596 -5.434 1.00 1.32 N ATOM 711 NH2 ARG A 43 23.927 -0.889 -5.727 1.00 5.40 N ATOM 0 H ARG A 43 17.039 0.362 -8.120 1.00 21.21 H new ATOM 0 HA ARG A 43 19.372 1.035 -9.414 1.00 30.42 H new ATOM 0 HB2 ARG A 43 18.252 -1.212 -8.189 1.00 22.03 H new ATOM 0 HB3 ARG A 43 18.526 -1.754 -9.833 1.00 22.03 H new ATOM 0 HG2 ARG A 43 20.541 -2.302 -8.812 1.00 74.15 H new ATOM 0 HG3 ARG A 43 20.921 -0.750 -9.533 1.00 74.15 H new ATOM 0 HD2 ARG A 43 20.609 0.400 -7.418 1.00 2.34 H new ATOM 0 HD3 ARG A 43 19.944 -1.037 -6.668 1.00 2.34 H new ATOM 0 HE ARG A 43 22.434 -1.903 -7.440 1.00 11.21 H new ATOM 0 HH11 ARG A 43 21.268 0.927 -5.678 1.00 1.32 H new ATOM 0 HH12 ARG A 43 22.741 1.078 -4.716 1.00 1.32 H new ATOM 0 HH21 ARG A 43 24.323 -1.703 -6.198 1.00 5.40 H new ATOM 0 HH22 ARG A 43 24.464 -0.404 -5.008 1.00 5.40 H new ATOM 725 N PHE A 44 17.084 -0.127 -11.493 1.00 51.10 N ATOM 726 CA PHE A 44 16.720 -0.222 -12.902 1.00 60.21 C ATOM 727 C PHE A 44 16.474 1.162 -13.494 1.00 4.33 C ATOM 728 O PHE A 44 17.052 1.523 -14.518 1.00 61.12 O ATOM 729 CB PHE A 44 15.472 -1.092 -13.070 1.00 0.44 C ATOM 730 CG PHE A 44 15.727 -2.555 -12.850 1.00 22.22 C ATOM 731 CD1 PHE A 44 16.787 -3.189 -13.478 1.00 74.33 C ATOM 732 CD2 PHE A 44 14.907 -3.297 -12.016 1.00 62.03 C ATOM 733 CE1 PHE A 44 17.024 -4.536 -13.277 1.00 3.14 C ATOM 734 CE2 PHE A 44 15.138 -4.644 -11.812 1.00 42.00 C ATOM 735 CZ PHE A 44 16.199 -5.264 -12.443 1.00 41.14 C ATOM 0 H PHE A 44 16.359 -0.442 -10.848 1.00 51.10 H new ATOM 0 HA PHE A 44 17.550 -0.683 -13.437 1.00 60.21 H new ATOM 0 HB2 PHE A 44 14.707 -0.755 -12.370 1.00 0.44 H new ATOM 0 HB3 PHE A 44 15.071 -0.948 -14.073 1.00 0.44 H new ATOM 0 HD1 PHE A 44 17.435 -2.625 -14.132 1.00 74.33 H new ATOM 0 HD2 PHE A 44 14.077 -2.817 -11.519 1.00 62.03 H new ATOM 0 HE1 PHE A 44 17.854 -5.018 -13.772 1.00 3.14 H new ATOM 0 HE2 PHE A 44 14.490 -5.211 -11.160 1.00 42.00 H new ATOM 0 HZ PHE A 44 16.383 -6.316 -12.284 1.00 41.14 H new ATOM 745 N GLY A 45 15.608 1.933 -12.842 1.00 14.41 N ATOM 746 CA GLY A 45 15.299 3.268 -13.319 1.00 4.43 C ATOM 747 C GLY A 45 13.937 3.748 -12.857 1.00 24.31 C ATOM 748 O GLY A 45 13.813 4.833 -12.288 1.00 25.13 O ATOM 0 H GLY A 45 15.116 1.657 -11.993 1.00 14.41 H new ATOM 0 HA2 GLY A 45 16.063 3.962 -12.969 1.00 4.43 H new ATOM 0 HA3 GLY A 45 15.334 3.278 -14.408 1.00 4.43 H new ATOM 752 N LEU A 46 12.912 2.939 -13.104 1.00 43.34 N ATOM 753 CA LEU A 46 11.551 3.288 -12.710 1.00 74.10 C ATOM 754 C LEU A 46 11.537 3.973 -11.347 1.00 3.13 C ATOM 755 O LEU A 46 12.089 3.458 -10.376 1.00 43.23 O ATOM 756 CB LEU A 46 10.674 2.035 -12.672 1.00 41.31 C ATOM 757 CG LEU A 46 10.095 1.581 -14.013 1.00 73.42 C ATOM 758 CD1 LEU A 46 10.186 0.069 -14.148 1.00 31.32 C ATOM 759 CD2 LEU A 46 8.653 2.045 -14.156 1.00 0.41 C ATOM 0 H LEU A 46 12.997 2.038 -13.575 1.00 43.34 H new ATOM 0 HA LEU A 46 11.152 3.982 -13.449 1.00 74.10 H new ATOM 0 HB2 LEU A 46 11.262 1.216 -12.257 1.00 41.31 H new ATOM 0 HB3 LEU A 46 9.848 2.215 -11.984 1.00 41.31 H new ATOM 0 HG LEU A 46 10.682 2.033 -14.813 1.00 73.42 H new ATOM 0 HD11 LEU A 46 9.770 -0.236 -15.108 1.00 31.32 H new ATOM 0 HD12 LEU A 46 11.230 -0.239 -14.091 1.00 31.32 H new ATOM 0 HD13 LEU A 46 9.624 -0.403 -13.342 1.00 31.32 H new ATOM 0 HD21 LEU A 46 8.257 1.713 -15.116 1.00 0.41 H new ATOM 0 HD22 LEU A 46 8.053 1.622 -13.350 1.00 0.41 H new ATOM 0 HD23 LEU A 46 8.614 3.133 -14.104 1.00 0.41 H new ATOM 771 N ALA A 47 10.900 5.138 -11.283 1.00 5.14 N ATOM 772 CA ALA A 47 10.810 5.893 -10.040 1.00 63.50 C ATOM 773 C ALA A 47 9.868 5.212 -9.052 1.00 72.43 C ATOM 774 O ALA A 47 8.935 4.516 -9.450 1.00 72.03 O ATOM 775 CB ALA A 47 10.346 7.314 -10.317 1.00 12.43 C ATOM 0 H ALA A 47 10.439 5.579 -12.078 1.00 5.14 H new ATOM 0 HA ALA A 47 11.803 5.927 -9.593 1.00 63.50 H new ATOM 0 HB1 ALA A 47 10.284 7.866 -9.379 1.00 12.43 H new ATOM 0 HB2 ALA A 47 11.057 7.806 -10.981 1.00 12.43 H new ATOM 0 HB3 ALA A 47 9.364 7.290 -10.790 1.00 12.43 H new ATOM 781 N GLU A 48 10.122 5.416 -7.763 1.00 1.12 N ATOM 782 CA GLU A 48 9.297 4.819 -6.718 1.00 0.55 C ATOM 783 C GLU A 48 7.972 5.564 -6.579 1.00 14.23 C ATOM 784 O GLU A 48 6.972 4.996 -6.143 1.00 61.11 O ATOM 785 CB GLU A 48 10.042 4.828 -5.382 1.00 34.20 C ATOM 786 CG GLU A 48 10.430 6.219 -4.910 1.00 3.42 C ATOM 787 CD GLU A 48 11.921 6.473 -5.007 1.00 34.13 C ATOM 788 OE1 GLU A 48 12.703 5.553 -4.687 1.00 12.24 O ATOM 789 OE2 GLU A 48 12.308 7.593 -5.404 1.00 24.15 O ATOM 0 H GLU A 48 10.891 5.989 -7.417 1.00 1.12 H new ATOM 0 HA GLU A 48 9.086 3.788 -7.001 1.00 0.55 H new ATOM 0 HB2 GLU A 48 9.416 4.358 -4.624 1.00 34.20 H new ATOM 0 HB3 GLU A 48 10.942 4.220 -5.474 1.00 34.20 H new ATOM 0 HG2 GLU A 48 9.899 6.962 -5.505 1.00 3.42 H new ATOM 0 HG3 GLU A 48 10.109 6.351 -3.877 1.00 3.42 H new ATOM 796 N SER A 49 7.975 6.840 -6.954 1.00 20.33 N ATOM 797 CA SER A 49 6.776 7.664 -6.868 1.00 71.45 C ATOM 798 C SER A 49 5.676 7.119 -7.774 1.00 52.15 C ATOM 799 O SER A 49 4.517 7.528 -7.678 1.00 34.10 O ATOM 800 CB SER A 49 7.097 9.111 -7.249 1.00 33.51 C ATOM 801 OG SER A 49 8.201 9.600 -6.507 1.00 63.00 O ATOM 0 H SER A 49 8.795 7.325 -7.320 1.00 20.33 H new ATOM 0 HA SER A 49 6.420 7.638 -5.838 1.00 71.45 H new ATOM 0 HB2 SER A 49 7.316 9.170 -8.315 1.00 33.51 H new ATOM 0 HB3 SER A 49 6.226 9.740 -7.068 1.00 33.51 H new ATOM 0 HG SER A 49 8.387 10.526 -6.770 1.00 63.00 H new ATOM 807 N LEU A 50 6.046 6.195 -8.652 1.00 22.24 N ATOM 808 CA LEU A 50 5.091 5.592 -9.577 1.00 41.03 C ATOM 809 C LEU A 50 4.363 4.423 -8.922 1.00 63.11 C ATOM 810 O LEU A 50 3.612 3.700 -9.578 1.00 75.11 O ATOM 811 CB LEU A 50 5.807 5.118 -10.843 1.00 73.32 C ATOM 812 CG LEU A 50 6.518 6.200 -11.657 1.00 41.12 C ATOM 813 CD1 LEU A 50 7.169 5.598 -12.893 1.00 61.54 C ATOM 814 CD2 LEU A 50 5.543 7.300 -12.048 1.00 3.24 C ATOM 0 H LEU A 50 7.000 5.846 -8.744 1.00 22.24 H new ATOM 0 HA LEU A 50 4.355 6.349 -9.846 1.00 41.03 H new ATOM 0 HB2 LEU A 50 6.541 4.363 -10.560 1.00 73.32 H new ATOM 0 HB3 LEU A 50 5.077 4.628 -11.487 1.00 73.32 H new ATOM 0 HG LEU A 50 7.300 6.638 -11.037 1.00 41.12 H new ATOM 0 HD11 LEU A 50 7.670 6.383 -13.459 1.00 61.54 H new ATOM 0 HD12 LEU A 50 7.899 4.847 -12.591 1.00 61.54 H new ATOM 0 HD13 LEU A 50 6.406 5.132 -13.516 1.00 61.54 H new ATOM 0 HD21 LEU A 50 6.066 8.061 -12.627 1.00 3.24 H new ATOM 0 HD22 LEU A 50 4.739 6.876 -12.649 1.00 3.24 H new ATOM 0 HD23 LEU A 50 5.124 7.752 -11.149 1.00 3.24 H new ATOM 826 N LEU A 51 4.588 4.244 -7.625 1.00 61.13 N ATOM 827 CA LEU A 51 3.952 3.163 -6.881 1.00 40.15 C ATOM 828 C LEU A 51 2.667 3.645 -6.213 1.00 71.34 C ATOM 829 O LEU A 51 1.969 2.871 -5.558 1.00 31.34 O ATOM 830 CB LEU A 51 4.911 2.609 -5.826 1.00 74.34 C ATOM 831 CG LEU A 51 5.877 1.523 -6.301 1.00 13.33 C ATOM 832 CD1 LEU A 51 7.216 1.652 -5.593 1.00 31.42 C ATOM 833 CD2 LEU A 51 5.281 0.141 -6.072 1.00 11.54 C ATOM 0 H LEU A 51 5.206 4.833 -7.067 1.00 61.13 H new ATOM 0 HA LEU A 51 3.700 2.370 -7.585 1.00 40.15 H new ATOM 0 HB2 LEU A 51 5.496 3.437 -5.425 1.00 74.34 H new ATOM 0 HB3 LEU A 51 4.321 2.207 -5.003 1.00 74.34 H new ATOM 0 HG LEU A 51 6.041 1.653 -7.371 1.00 13.33 H new ATOM 0 HD11 LEU A 51 7.890 0.871 -5.944 1.00 31.42 H new ATOM 0 HD12 LEU A 51 7.649 2.629 -5.809 1.00 31.42 H new ATOM 0 HD13 LEU A 51 7.070 1.549 -4.518 1.00 31.42 H new ATOM 0 HD21 LEU A 51 5.982 -0.619 -6.416 1.00 11.54 H new ATOM 0 HD22 LEU A 51 5.086 0.000 -5.009 1.00 11.54 H new ATOM 0 HD23 LEU A 51 4.347 0.051 -6.627 1.00 11.54 H new ATOM 845 N GLU A 52 2.362 4.926 -6.385 1.00 43.34 N ATOM 846 CA GLU A 52 1.160 5.511 -5.799 1.00 72.51 C ATOM 847 C GLU A 52 0.061 5.656 -6.846 1.00 21.11 C ATOM 848 O GLU A 52 -1.108 5.848 -6.512 1.00 64.11 O ATOM 849 CB GLU A 52 1.477 6.875 -5.183 1.00 15.12 C ATOM 850 CG GLU A 52 2.087 7.859 -6.167 1.00 3.21 C ATOM 851 CD GLU A 52 1.422 9.222 -6.116 1.00 72.15 C ATOM 852 OE1 GLU A 52 1.432 9.845 -5.034 1.00 51.52 O ATOM 853 OE2 GLU A 52 0.893 9.664 -7.156 1.00 11.20 O ATOM 0 H GLU A 52 2.929 5.580 -6.925 1.00 43.34 H new ATOM 0 HA GLU A 52 0.806 4.841 -5.015 1.00 72.51 H new ATOM 0 HB2 GLU A 52 0.561 7.302 -4.775 1.00 15.12 H new ATOM 0 HB3 GLU A 52 2.163 6.737 -4.348 1.00 15.12 H new ATOM 0 HG2 GLU A 52 3.150 7.969 -5.953 1.00 3.21 H new ATOM 0 HG3 GLU A 52 2.005 7.456 -7.176 1.00 3.21 H new ATOM 860 N SER A 53 0.444 5.562 -8.116 1.00 42.20 N ATOM 861 CA SER A 53 -0.509 5.688 -9.213 1.00 53.03 C ATOM 862 C SER A 53 -0.614 4.381 -9.993 1.00 73.14 C ATOM 863 O SER A 53 0.391 3.727 -10.271 1.00 74.35 O ATOM 864 CB SER A 53 -0.092 6.823 -10.151 1.00 35.02 C ATOM 865 OG SER A 53 0.502 6.315 -11.334 1.00 63.42 O ATOM 0 H SER A 53 1.407 5.399 -8.410 1.00 42.20 H new ATOM 0 HA SER A 53 -1.486 5.918 -8.789 1.00 53.03 H new ATOM 0 HB2 SER A 53 -0.963 7.426 -10.408 1.00 35.02 H new ATOM 0 HB3 SER A 53 0.611 7.481 -9.641 1.00 35.02 H new ATOM 0 HG SER A 53 -0.148 6.347 -12.066 1.00 63.42 H new ATOM 871 N LYS A 54 -1.839 4.006 -10.344 1.00 54.42 N ATOM 872 CA LYS A 54 -2.079 2.778 -11.093 1.00 11.21 C ATOM 873 C LYS A 54 -1.305 2.783 -12.407 1.00 23.14 C ATOM 874 O LYS A 54 -0.671 1.793 -12.769 1.00 63.32 O ATOM 875 CB LYS A 54 -3.575 2.609 -11.370 1.00 50.45 C ATOM 876 CG LYS A 54 -4.232 3.853 -11.941 1.00 21.13 C ATOM 877 CD LYS A 54 -5.711 3.628 -12.210 1.00 12.40 C ATOM 878 CE LYS A 54 -6.550 4.797 -11.716 1.00 31.45 C ATOM 879 NZ LYS A 54 -6.482 5.960 -12.644 1.00 1.31 N ATOM 0 H LYS A 54 -2.682 4.535 -10.122 1.00 54.42 H new ATOM 0 HA LYS A 54 -1.731 1.940 -10.490 1.00 11.21 H new ATOM 0 HB2 LYS A 54 -3.716 1.782 -12.066 1.00 50.45 H new ATOM 0 HB3 LYS A 54 -4.079 2.335 -10.443 1.00 50.45 H new ATOM 0 HG2 LYS A 54 -4.110 4.683 -11.245 1.00 21.13 H new ATOM 0 HG3 LYS A 54 -3.732 4.138 -12.867 1.00 21.13 H new ATOM 0 HD2 LYS A 54 -5.871 3.490 -13.279 1.00 12.40 H new ATOM 0 HD3 LYS A 54 -6.036 2.711 -11.718 1.00 12.40 H new ATOM 0 HE2 LYS A 54 -7.587 4.479 -11.607 1.00 31.45 H new ATOM 0 HE3 LYS A 54 -6.204 5.100 -10.728 1.00 31.45 H new ATOM 0 HZ1 LYS A 54 -7.067 6.736 -12.272 1.00 1.31 H new ATOM 0 HZ2 LYS A 54 -5.496 6.280 -12.728 1.00 1.31 H new ATOM 0 HZ3 LYS A 54 -6.836 5.678 -13.580 1.00 1.31 H new ATOM 893 N GLU A 55 -1.362 3.906 -13.118 1.00 23.12 N ATOM 894 CA GLU A 55 -0.666 4.038 -14.392 1.00 2.34 C ATOM 895 C GLU A 55 0.811 3.684 -14.245 1.00 42.54 C ATOM 896 O GLU A 55 1.355 2.905 -15.026 1.00 64.43 O ATOM 897 CB GLU A 55 -0.810 5.463 -14.933 1.00 61.35 C ATOM 898 CG GLU A 55 -1.409 5.528 -16.327 1.00 35.44 C ATOM 899 CD GLU A 55 -0.667 6.491 -17.235 1.00 24.41 C ATOM 900 OE1 GLU A 55 -0.066 7.453 -16.715 1.00 13.41 O ATOM 901 OE2 GLU A 55 -0.691 6.281 -18.466 1.00 31.14 O ATOM 0 H GLU A 55 -1.882 4.736 -12.833 1.00 23.12 H new ATOM 0 HA GLU A 55 -1.120 3.342 -15.098 1.00 2.34 H new ATOM 0 HB2 GLU A 55 -1.435 6.040 -14.251 1.00 61.35 H new ATOM 0 HB3 GLU A 55 0.171 5.938 -14.946 1.00 61.35 H new ATOM 0 HG2 GLU A 55 -1.396 4.533 -16.771 1.00 35.44 H new ATOM 0 HG3 GLU A 55 -2.453 5.832 -16.256 1.00 35.44 H new ATOM 908 N GLY A 56 1.454 4.266 -13.237 1.00 21.44 N ATOM 909 CA GLY A 56 2.862 4.002 -13.005 1.00 33.03 C ATOM 910 C GLY A 56 3.140 2.537 -12.731 1.00 61.40 C ATOM 911 O GLY A 56 4.160 1.999 -13.165 1.00 44.34 O ATOM 0 H GLY A 56 1.025 4.915 -12.577 1.00 21.44 H new ATOM 0 HA2 GLY A 56 3.436 4.321 -13.875 1.00 33.03 H new ATOM 0 HA3 GLY A 56 3.206 4.598 -12.160 1.00 33.03 H new ATOM 915 N CYS A 57 2.232 1.889 -12.009 1.00 4.12 N ATOM 916 CA CYS A 57 2.385 0.477 -11.676 1.00 50.21 C ATOM 917 C CYS A 57 2.108 -0.401 -12.892 1.00 64.23 C ATOM 918 O CYS A 57 2.611 -1.520 -12.988 1.00 72.22 O ATOM 919 CB CYS A 57 1.446 0.098 -10.531 1.00 24.34 C ATOM 920 SG CYS A 57 2.189 0.236 -8.889 1.00 40.43 S ATOM 0 H CYS A 57 1.382 2.319 -11.643 1.00 4.12 H new ATOM 0 HA CYS A 57 3.415 0.312 -11.360 1.00 50.21 H new ATOM 0 HB2 CYS A 57 0.563 0.736 -10.573 1.00 24.34 H new ATOM 0 HB3 CYS A 57 1.106 -0.927 -10.679 1.00 24.34 H new ATOM 0 HG CYS A 57 1.653 1.235 -8.253 1.00 40.43 H new ATOM 926 N GLN A 58 1.301 0.112 -13.815 1.00 41.24 N ATOM 927 CA GLN A 58 0.955 -0.627 -15.022 1.00 23.14 C ATOM 928 C GLN A 58 2.178 -0.824 -15.910 1.00 33.45 C ATOM 929 O GLN A 58 2.346 -1.874 -16.531 1.00 35.11 O ATOM 930 CB GLN A 58 -0.141 0.106 -15.798 1.00 0.34 C ATOM 931 CG GLN A 58 -1.248 -0.808 -16.298 1.00 3.50 C ATOM 932 CD GLN A 58 -2.518 -0.053 -16.639 1.00 2.10 C ATOM 933 OE1 GLN A 58 -3.271 0.350 -15.752 1.00 51.02 O ATOM 934 NE2 GLN A 58 -2.764 0.142 -17.929 1.00 73.40 N ATOM 0 H GLN A 58 0.875 1.036 -13.749 1.00 41.24 H new ATOM 0 HA GLN A 58 0.585 -1.608 -14.723 1.00 23.14 H new ATOM 0 HB2 GLN A 58 -0.576 0.873 -15.158 1.00 0.34 H new ATOM 0 HB3 GLN A 58 0.308 0.618 -16.649 1.00 0.34 H new ATOM 0 HG2 GLN A 58 -0.900 -1.344 -17.181 1.00 3.50 H new ATOM 0 HG3 GLN A 58 -1.468 -1.556 -15.537 1.00 3.50 H new ATOM 0 HE21 GLN A 58 -2.113 -0.209 -18.631 1.00 73.40 H new ATOM 0 HE22 GLN A 58 -3.604 0.643 -18.218 1.00 73.40 H new ATOM 943 N LYS A 59 3.031 0.194 -15.968 1.00 72.10 N ATOM 944 CA LYS A 59 4.242 0.134 -16.779 1.00 25.12 C ATOM 945 C LYS A 59 5.316 -0.702 -16.092 1.00 41.35 C ATOM 946 O LYS A 59 6.363 -0.984 -16.675 1.00 55.20 O ATOM 947 CB LYS A 59 4.771 1.544 -17.048 1.00 61.12 C ATOM 948 CG LYS A 59 4.667 1.966 -18.503 1.00 1.21 C ATOM 949 CD LYS A 59 5.666 3.062 -18.839 1.00 70.44 C ATOM 950 CE LYS A 59 4.966 4.339 -19.274 1.00 62.01 C ATOM 951 NZ LYS A 59 5.911 5.485 -19.370 1.00 74.43 N ATOM 0 H LYS A 59 2.906 1.071 -15.463 1.00 72.10 H new ATOM 0 HA LYS A 59 3.991 -0.339 -17.728 1.00 25.12 H new ATOM 0 HB2 LYS A 59 4.218 2.254 -16.432 1.00 61.12 H new ATOM 0 HB3 LYS A 59 5.814 1.597 -16.737 1.00 61.12 H new ATOM 0 HG2 LYS A 59 4.842 1.104 -19.146 1.00 1.21 H new ATOM 0 HG3 LYS A 59 3.656 2.318 -18.709 1.00 1.21 H new ATOM 0 HD2 LYS A 59 6.290 3.266 -17.969 1.00 70.44 H new ATOM 0 HD3 LYS A 59 6.329 2.720 -19.634 1.00 70.44 H new ATOM 0 HE2 LYS A 59 4.489 4.180 -20.241 1.00 62.01 H new ATOM 0 HE3 LYS A 59 4.175 4.579 -18.564 1.00 62.01 H new ATOM 0 HZ1 LYS A 59 5.395 6.337 -19.669 1.00 74.43 H new ATOM 0 HZ2 LYS A 59 6.348 5.654 -18.441 1.00 74.43 H new ATOM 0 HZ3 LYS A 59 6.652 5.267 -20.066 1.00 74.43 H new ATOM 965 N ILE A 60 5.050 -1.096 -14.851 1.00 72.00 N ATOM 966 CA ILE A 60 5.994 -1.902 -14.087 1.00 4.43 C ATOM 967 C ILE A 60 5.720 -3.391 -14.270 1.00 10.41 C ATOM 968 O ILE A 60 6.644 -4.187 -14.444 1.00 50.42 O ATOM 969 CB ILE A 60 5.938 -1.562 -12.586 1.00 43.24 C ATOM 970 CG1 ILE A 60 6.365 -0.111 -12.353 1.00 71.21 C ATOM 971 CG2 ILE A 60 6.822 -2.514 -11.793 1.00 31.23 C ATOM 972 CD1 ILE A 60 5.966 0.426 -10.997 1.00 63.41 C ATOM 0 H ILE A 60 4.189 -0.870 -14.353 1.00 72.00 H new ATOM 0 HA ILE A 60 6.988 -1.669 -14.468 1.00 4.43 H new ATOM 0 HB ILE A 60 4.911 -1.679 -12.241 1.00 43.24 H new ATOM 0 HG12 ILE A 60 7.447 -0.038 -12.460 1.00 71.21 H new ATOM 0 HG13 ILE A 60 5.925 0.517 -13.127 1.00 71.21 H new ATOM 0 HG21 ILE A 60 6.772 -2.261 -10.734 1.00 31.23 H new ATOM 0 HG22 ILE A 60 6.476 -3.538 -11.938 1.00 31.23 H new ATOM 0 HG23 ILE A 60 7.852 -2.427 -12.138 1.00 31.23 H new ATOM 0 HD11 ILE A 60 6.301 1.459 -10.902 1.00 63.41 H new ATOM 0 HD12 ILE A 60 4.882 0.385 -10.894 1.00 63.41 H new ATOM 0 HD13 ILE A 60 6.427 -0.179 -10.216 1.00 63.41 H new ATOM 984 N LEU A 61 4.445 -3.762 -14.232 1.00 74.13 N ATOM 985 CA LEU A 61 4.049 -5.156 -14.396 1.00 43.25 C ATOM 986 C LEU A 61 4.403 -5.663 -15.789 1.00 5.33 C ATOM 987 O LEU A 61 4.573 -6.864 -16.001 1.00 71.41 O ATOM 988 CB LEU A 61 2.547 -5.311 -14.150 1.00 25.22 C ATOM 989 CG LEU A 61 2.079 -5.128 -12.706 1.00 52.33 C ATOM 990 CD1 LEU A 61 0.565 -5.243 -12.616 1.00 55.14 C ATOM 991 CD2 LEU A 61 2.749 -6.146 -11.795 1.00 41.25 C ATOM 0 H LEU A 61 3.668 -3.117 -14.089 1.00 74.13 H new ATOM 0 HA LEU A 61 4.595 -5.752 -13.664 1.00 43.25 H new ATOM 0 HB2 LEU A 61 2.021 -4.590 -14.775 1.00 25.22 H new ATOM 0 HB3 LEU A 61 2.245 -6.303 -14.485 1.00 25.22 H new ATOM 0 HG LEU A 61 2.366 -4.130 -12.375 1.00 52.33 H new ATOM 0 HD11 LEU A 61 0.251 -5.110 -11.581 1.00 55.14 H new ATOM 0 HD12 LEU A 61 0.104 -4.474 -13.237 1.00 55.14 H new ATOM 0 HD13 LEU A 61 0.253 -6.227 -12.966 1.00 55.14 H new ATOM 0 HD21 LEU A 61 2.404 -6.001 -10.771 1.00 41.25 H new ATOM 0 HD22 LEU A 61 2.493 -7.153 -12.125 1.00 41.25 H new ATOM 0 HD23 LEU A 61 3.830 -6.014 -11.836 1.00 41.25 H new ATOM 1003 N THR A 62 4.515 -4.739 -16.739 1.00 3.22 N ATOM 1004 CA THR A 62 4.851 -5.091 -18.113 1.00 64.55 C ATOM 1005 C THR A 62 6.312 -5.509 -18.232 1.00 21.31 C ATOM 1006 O THR A 62 6.657 -6.372 -19.039 1.00 1.13 O ATOM 1007 CB THR A 62 4.584 -3.919 -19.075 1.00 45.22 C ATOM 1008 OG1 THR A 62 4.563 -4.389 -20.427 1.00 20.44 O ATOM 1009 CG2 THR A 62 5.647 -2.842 -18.924 1.00 43.33 C ATOM 0 H THR A 62 4.378 -3.741 -16.581 1.00 3.22 H new ATOM 0 HA THR A 62 4.212 -5.930 -18.389 1.00 64.55 H new ATOM 0 HB THR A 62 3.614 -3.488 -18.826 1.00 45.22 H new ATOM 0 HG1 THR A 62 4.391 -3.637 -21.032 1.00 20.44 H new ATOM 0 HG21 THR A 62 5.437 -2.024 -19.614 1.00 43.33 H new ATOM 0 HG22 THR A 62 5.640 -2.465 -17.901 1.00 43.33 H new ATOM 0 HG23 THR A 62 6.627 -3.264 -19.149 1.00 43.33 H new ATOM 1017 N VAL A 63 7.166 -4.893 -17.422 1.00 53.34 N ATOM 1018 CA VAL A 63 8.591 -5.203 -17.436 1.00 3.32 C ATOM 1019 C VAL A 63 8.891 -6.446 -16.607 1.00 21.14 C ATOM 1020 O VAL A 63 9.852 -7.168 -16.876 1.00 73.13 O ATOM 1021 CB VAL A 63 9.426 -4.026 -16.897 1.00 71.14 C ATOM 1022 CG1 VAL A 63 10.891 -4.421 -16.779 1.00 41.33 C ATOM 1023 CG2 VAL A 63 9.264 -2.805 -17.790 1.00 54.52 C ATOM 0 H VAL A 63 6.897 -4.177 -16.748 1.00 53.34 H new ATOM 0 HA VAL A 63 8.865 -5.388 -18.475 1.00 3.32 H new ATOM 0 HB VAL A 63 9.062 -3.770 -15.902 1.00 71.14 H new ATOM 0 HG11 VAL A 63 11.466 -3.577 -16.397 1.00 41.33 H new ATOM 0 HG12 VAL A 63 10.986 -5.265 -16.095 1.00 41.33 H new ATOM 0 HG13 VAL A 63 11.272 -4.704 -17.760 1.00 41.33 H new ATOM 0 HG21 VAL A 63 9.861 -1.983 -17.394 1.00 54.52 H new ATOM 0 HG22 VAL A 63 9.600 -3.045 -18.799 1.00 54.52 H new ATOM 0 HG23 VAL A 63 8.215 -2.511 -17.818 1.00 54.52 H new ATOM 1033 N LEU A 64 8.062 -6.692 -15.599 1.00 61.40 N ATOM 1034 CA LEU A 64 8.238 -7.851 -14.729 1.00 24.13 C ATOM 1035 C LEU A 64 7.479 -9.058 -15.271 1.00 32.30 C ATOM 1036 O LEU A 64 7.791 -10.201 -14.936 1.00 22.42 O ATOM 1037 CB LEU A 64 7.760 -7.528 -13.312 1.00 1.24 C ATOM 1038 CG LEU A 64 8.562 -6.466 -12.560 1.00 33.01 C ATOM 1039 CD1 LEU A 64 7.857 -6.081 -11.268 1.00 14.40 C ATOM 1040 CD2 LEU A 64 9.970 -6.966 -12.272 1.00 33.12 C ATOM 0 H LEU A 64 7.262 -6.105 -15.363 1.00 61.40 H new ATOM 0 HA LEU A 64 9.300 -8.095 -14.700 1.00 24.13 H new ATOM 0 HB2 LEU A 64 6.722 -7.200 -13.366 1.00 1.24 H new ATOM 0 HB3 LEU A 64 7.774 -8.447 -12.727 1.00 1.24 H new ATOM 0 HG LEU A 64 8.634 -5.579 -13.189 1.00 33.01 H new ATOM 0 HD11 LEU A 64 8.442 -5.324 -10.746 1.00 14.40 H new ATOM 0 HD12 LEU A 64 6.869 -5.681 -11.498 1.00 14.40 H new ATOM 0 HD13 LEU A 64 7.754 -6.961 -10.634 1.00 14.40 H new ATOM 0 HD21 LEU A 64 10.527 -6.197 -11.736 1.00 33.12 H new ATOM 0 HD22 LEU A 64 9.918 -7.868 -11.662 1.00 33.12 H new ATOM 0 HD23 LEU A 64 10.475 -7.192 -13.211 1.00 33.12 H new ATOM 1052 N ASP A 65 6.484 -8.797 -16.111 1.00 5.43 N ATOM 1053 CA ASP A 65 5.683 -9.862 -16.702 1.00 2.34 C ATOM 1054 C ASP A 65 6.571 -10.882 -17.408 1.00 70.23 C ATOM 1055 O ASP A 65 6.614 -12.059 -17.046 1.00 40.44 O ATOM 1056 CB ASP A 65 4.671 -9.279 -17.691 1.00 43.01 C ATOM 1057 CG ASP A 65 3.256 -9.288 -17.143 1.00 33.22 C ATOM 1058 OD1 ASP A 65 2.780 -10.372 -16.746 1.00 75.32 O ATOM 1059 OD2 ASP A 65 2.626 -8.211 -17.113 1.00 53.55 O ATOM 0 H ASP A 65 6.213 -7.857 -16.398 1.00 5.43 H new ATOM 0 HA ASP A 65 5.146 -10.367 -15.899 1.00 2.34 H new ATOM 0 HB2 ASP A 65 4.956 -8.256 -17.938 1.00 43.01 H new ATOM 0 HB3 ASP A 65 4.702 -9.851 -18.618 1.00 43.01 H new ATOM 1064 N PRO A 66 7.296 -10.425 -18.439 1.00 24.13 N ATOM 1065 CA PRO A 66 8.195 -11.282 -19.217 1.00 72.22 C ATOM 1066 C PRO A 66 9.422 -11.710 -18.419 1.00 62.02 C ATOM 1067 O PRO A 66 10.171 -12.591 -18.838 1.00 25.41 O ATOM 1068 CB PRO A 66 8.606 -10.391 -20.392 1.00 23.52 C ATOM 1069 CG PRO A 66 8.450 -8.999 -19.884 1.00 11.35 C ATOM 1070 CD PRO A 66 7.292 -9.035 -18.925 1.00 30.35 C ATOM 0 HA PRO A 66 7.713 -12.212 -19.518 1.00 72.22 H new ATOM 0 HB2 PRO A 66 9.633 -10.588 -20.698 1.00 23.52 H new ATOM 0 HB3 PRO A 66 7.975 -10.568 -21.263 1.00 23.52 H new ATOM 0 HG2 PRO A 66 9.359 -8.661 -19.386 1.00 11.35 H new ATOM 0 HG3 PRO A 66 8.258 -8.304 -20.702 1.00 11.35 H new ATOM 0 HD2 PRO A 66 7.423 -8.324 -18.110 1.00 30.35 H new ATOM 0 HD3 PRO A 66 6.353 -8.784 -19.419 1.00 30.35 H new ATOM 1078 N MET A 67 9.620 -11.080 -17.265 1.00 74.22 N ATOM 1079 CA MET A 67 10.756 -11.398 -16.407 1.00 12.35 C ATOM 1080 C MET A 67 10.399 -12.504 -15.420 1.00 34.10 C ATOM 1081 O MET A 67 11.278 -13.110 -14.807 1.00 20.43 O ATOM 1082 CB MET A 67 11.216 -10.151 -15.650 1.00 63.22 C ATOM 1083 CG MET A 67 12.622 -9.702 -16.015 1.00 44.45 C ATOM 1084 SD MET A 67 12.800 -9.338 -17.772 1.00 50.54 S ATOM 1085 CE MET A 67 14.482 -9.880 -18.061 1.00 5.14 C ATOM 0 H MET A 67 9.009 -10.347 -16.903 1.00 74.22 H new ATOM 0 HA MET A 67 11.570 -11.750 -17.040 1.00 12.35 H new ATOM 0 HB2 MET A 67 10.520 -9.337 -15.851 1.00 63.22 H new ATOM 0 HB3 MET A 67 11.173 -10.350 -14.579 1.00 63.22 H new ATOM 0 HG2 MET A 67 12.878 -8.814 -15.436 1.00 44.45 H new ATOM 0 HG3 MET A 67 13.332 -10.480 -15.735 1.00 44.45 H new ATOM 0 HE1 MET A 67 14.741 -9.719 -19.107 1.00 5.14 H new ATOM 0 HE2 MET A 67 15.162 -9.311 -17.427 1.00 5.14 H new ATOM 0 HE3 MET A 67 14.568 -10.941 -17.825 1.00 5.14 H new ATOM 1095 N VAL A 68 9.104 -12.762 -15.269 1.00 4.52 N ATOM 1096 CA VAL A 68 8.631 -13.795 -14.357 1.00 5.20 C ATOM 1097 C VAL A 68 9.122 -15.174 -14.785 1.00 44.51 C ATOM 1098 O VAL A 68 9.817 -15.869 -14.044 1.00 63.11 O ATOM 1099 CB VAL A 68 7.092 -13.813 -14.278 1.00 55.44 C ATOM 1100 CG1 VAL A 68 6.590 -15.208 -13.941 1.00 34.32 C ATOM 1101 CG2 VAL A 68 6.600 -12.800 -13.255 1.00 52.20 C ATOM 0 H VAL A 68 8.363 -12.269 -15.767 1.00 4.52 H new ATOM 0 HA VAL A 68 9.036 -13.557 -13.373 1.00 5.20 H new ATOM 0 HB VAL A 68 6.693 -13.535 -15.253 1.00 55.44 H new ATOM 0 HG11 VAL A 68 5.501 -15.200 -13.890 1.00 34.32 H new ATOM 0 HG12 VAL A 68 6.912 -15.907 -14.713 1.00 34.32 H new ATOM 0 HG13 VAL A 68 6.996 -15.518 -12.978 1.00 34.32 H new ATOM 0 HG21 VAL A 68 5.511 -12.826 -13.212 1.00 52.20 H new ATOM 0 HG22 VAL A 68 7.008 -13.046 -12.274 1.00 52.20 H new ATOM 0 HG23 VAL A 68 6.928 -11.802 -13.545 1.00 52.20 H new ATOM 1111 N PRO A 69 8.755 -15.578 -16.009 1.00 62.41 N ATOM 1112 CA PRO A 69 9.148 -16.876 -16.564 1.00 34.53 C ATOM 1113 C PRO A 69 10.639 -16.943 -16.882 1.00 22.33 C ATOM 1114 O PRO A 69 11.143 -17.974 -17.331 1.00 4.44 O ATOM 1115 CB PRO A 69 8.323 -16.978 -17.849 1.00 32.23 C ATOM 1116 CG PRO A 69 8.048 -15.565 -18.235 1.00 32.54 C ATOM 1117 CD PRO A 69 7.928 -14.800 -16.947 1.00 24.51 C ATOM 0 HA PRO A 69 8.970 -17.690 -15.861 1.00 34.53 H new ATOM 0 HB2 PRO A 69 8.872 -17.503 -18.631 1.00 32.23 H new ATOM 0 HB3 PRO A 69 7.398 -17.530 -17.683 1.00 32.23 H new ATOM 0 HG2 PRO A 69 8.852 -15.166 -18.853 1.00 32.54 H new ATOM 0 HG3 PRO A 69 7.131 -15.492 -18.819 1.00 32.54 H new ATOM 0 HD2 PRO A 69 8.292 -13.778 -17.051 1.00 24.51 H new ATOM 0 HD3 PRO A 69 6.893 -14.737 -16.612 1.00 24.51 H new ATOM 1125 N THR A 70 11.340 -15.839 -16.646 1.00 65.45 N ATOM 1126 CA THR A 70 12.772 -15.773 -16.907 1.00 42.53 C ATOM 1127 C THR A 70 13.454 -14.771 -15.981 1.00 2.14 C ATOM 1128 O THR A 70 14.113 -13.839 -16.439 1.00 52.45 O ATOM 1129 CB THR A 70 13.059 -15.382 -18.369 1.00 41.34 C ATOM 1130 OG1 THR A 70 12.660 -14.025 -18.600 1.00 30.52 O ATOM 1131 CG2 THR A 70 12.322 -16.303 -19.330 1.00 75.02 C ATOM 0 H THR A 70 10.939 -14.978 -16.274 1.00 65.45 H new ATOM 0 HA THR A 70 13.174 -16.769 -16.720 1.00 42.53 H new ATOM 0 HB THR A 70 14.130 -15.481 -18.545 1.00 41.34 H new ATOM 0 HG1 THR A 70 13.137 -13.434 -17.981 1.00 30.52 H new ATOM 0 HG21 THR A 70 12.540 -16.008 -20.356 1.00 75.02 H new ATOM 0 HG22 THR A 70 12.648 -17.331 -19.171 1.00 75.02 H new ATOM 0 HG23 THR A 70 11.249 -16.231 -19.152 1.00 75.02 H new ATOM 1139 N GLY A 71 13.291 -14.971 -14.677 1.00 3.33 N ATOM 1140 CA GLY A 71 13.897 -14.076 -13.708 1.00 34.30 C ATOM 1141 C GLY A 71 14.182 -14.761 -12.387 1.00 60.34 C ATOM 1142 O GLY A 71 13.685 -15.857 -12.127 1.00 13.12 O ATOM 0 H GLY A 71 12.750 -15.736 -14.274 1.00 3.33 H new ATOM 0 HA2 GLY A 71 14.826 -13.679 -14.116 1.00 34.30 H new ATOM 0 HA3 GLY A 71 13.235 -13.227 -13.538 1.00 34.30 H new ATOM 1146 N SER A 72 14.986 -14.114 -11.549 1.00 73.13 N ATOM 1147 CA SER A 72 15.341 -14.671 -10.248 1.00 13.41 C ATOM 1148 C SER A 72 14.234 -14.419 -9.229 1.00 73.40 C ATOM 1149 O SER A 72 13.261 -13.722 -9.514 1.00 60.42 O ATOM 1150 CB SER A 72 16.654 -14.063 -9.752 1.00 55.13 C ATOM 1151 OG SER A 72 16.416 -12.935 -8.928 1.00 3.25 O ATOM 0 H SER A 72 15.404 -13.205 -11.747 1.00 73.13 H new ATOM 0 HA SER A 72 15.467 -15.748 -10.363 1.00 13.41 H new ATOM 0 HB2 SER A 72 17.217 -14.812 -9.195 1.00 55.13 H new ATOM 0 HB3 SER A 72 17.268 -13.771 -10.604 1.00 55.13 H new ATOM 0 HG SER A 72 17.271 -12.566 -8.623 1.00 3.25 H new ATOM 1157 N GLU A 73 14.391 -14.994 -8.040 1.00 54.40 N ATOM 1158 CA GLU A 73 13.405 -14.832 -6.979 1.00 63.52 C ATOM 1159 C GLU A 73 13.321 -13.376 -6.530 1.00 62.44 C ATOM 1160 O GLU A 73 12.242 -12.870 -6.227 1.00 25.41 O ATOM 1161 CB GLU A 73 13.755 -15.726 -5.787 1.00 54.22 C ATOM 1162 CG GLU A 73 12.919 -16.992 -5.708 1.00 4.20 C ATOM 1163 CD GLU A 73 13.195 -17.946 -6.854 1.00 2.55 C ATOM 1164 OE1 GLU A 73 14.211 -18.671 -6.792 1.00 4.43 O ATOM 1165 OE2 GLU A 73 12.395 -17.968 -7.813 1.00 20.14 O ATOM 0 H GLU A 73 15.191 -15.575 -7.788 1.00 54.40 H new ATOM 0 HA GLU A 73 12.433 -15.128 -7.374 1.00 63.52 H new ATOM 0 HB2 GLU A 73 14.808 -16.000 -5.846 1.00 54.22 H new ATOM 0 HB3 GLU A 73 13.625 -15.157 -4.867 1.00 54.22 H new ATOM 0 HG2 GLU A 73 13.120 -17.497 -4.763 1.00 4.20 H new ATOM 0 HG3 GLU A 73 11.862 -16.726 -5.709 1.00 4.20 H new ATOM 1172 N ASN A 74 14.469 -12.710 -6.489 1.00 54.43 N ATOM 1173 CA ASN A 74 14.527 -11.312 -6.076 1.00 51.11 C ATOM 1174 C ASN A 74 13.670 -10.440 -6.987 1.00 14.52 C ATOM 1175 O ASN A 74 13.302 -9.320 -6.628 1.00 65.22 O ATOM 1176 CB ASN A 74 15.974 -10.814 -6.087 1.00 15.30 C ATOM 1177 CG ASN A 74 16.405 -10.258 -4.744 1.00 64.11 C ATOM 1178 OD1 ASN A 74 15.577 -9.806 -3.952 1.00 12.40 O ATOM 1179 ND2 ASN A 74 17.706 -10.288 -4.481 1.00 73.42 N ATOM 0 H ASN A 74 15.372 -13.115 -6.736 1.00 54.43 H new ATOM 0 HA ASN A 74 14.134 -11.242 -5.062 1.00 51.11 H new ATOM 0 HB2 ASN A 74 16.635 -11.634 -6.367 1.00 15.30 H new ATOM 0 HB3 ASN A 74 16.084 -10.042 -6.849 1.00 15.30 H new ATOM 0 HD21 ASN A 74 18.055 -9.927 -3.593 1.00 73.42 H new ATOM 0 HD22 ASN A 74 18.356 -10.672 -5.167 1.00 73.42 H new ATOM 1186 N LEU A 75 13.357 -10.958 -8.169 1.00 33.35 N ATOM 1187 CA LEU A 75 12.542 -10.227 -9.134 1.00 33.23 C ATOM 1188 C LEU A 75 11.071 -10.605 -9.001 1.00 1.42 C ATOM 1189 O LEU A 75 10.196 -9.739 -8.986 1.00 44.13 O ATOM 1190 CB LEU A 75 13.027 -10.510 -10.558 1.00 2.51 C ATOM 1191 CG LEU A 75 12.090 -10.072 -11.684 1.00 4.12 C ATOM 1192 CD1 LEU A 75 12.882 -9.471 -12.835 1.00 52.24 C ATOM 1193 CD2 LEU A 75 11.252 -11.247 -12.168 1.00 15.00 C ATOM 0 H LEU A 75 13.655 -11.882 -8.483 1.00 33.35 H new ATOM 0 HA LEU A 75 12.644 -9.162 -8.927 1.00 33.23 H new ATOM 0 HB2 LEU A 75 13.988 -10.015 -10.698 1.00 2.51 H new ATOM 0 HB3 LEU A 75 13.203 -11.581 -10.655 1.00 2.51 H new ATOM 0 HG LEU A 75 11.418 -9.308 -11.294 1.00 4.12 H new ATOM 0 HD11 LEU A 75 12.198 -9.165 -13.627 1.00 52.24 H new ATOM 0 HD12 LEU A 75 13.438 -8.603 -12.480 1.00 52.24 H new ATOM 0 HD13 LEU A 75 13.579 -10.214 -13.224 1.00 52.24 H new ATOM 0 HD21 LEU A 75 10.591 -10.917 -12.969 1.00 15.00 H new ATOM 0 HD22 LEU A 75 11.909 -12.033 -12.540 1.00 15.00 H new ATOM 0 HD23 LEU A 75 10.655 -11.633 -11.342 1.00 15.00 H new ATOM 1205 N LYS A 76 10.805 -11.903 -8.902 1.00 11.24 N ATOM 1206 CA LYS A 76 9.440 -12.396 -8.766 1.00 62.10 C ATOM 1207 C LYS A 76 8.725 -11.709 -7.606 1.00 74.13 C ATOM 1208 O LYS A 76 7.539 -11.396 -7.694 1.00 51.33 O ATOM 1209 CB LYS A 76 9.442 -13.911 -8.553 1.00 44.02 C ATOM 1210 CG LYS A 76 10.033 -14.688 -9.715 1.00 34.24 C ATOM 1211 CD LYS A 76 10.570 -16.038 -9.269 1.00 71.44 C ATOM 1212 CE LYS A 76 9.600 -17.161 -9.599 1.00 31.34 C ATOM 1213 NZ LYS A 76 8.711 -17.482 -8.449 1.00 43.53 N ATOM 0 H LYS A 76 11.517 -12.633 -8.913 1.00 11.24 H new ATOM 0 HA LYS A 76 8.904 -12.165 -9.687 1.00 62.10 H new ATOM 0 HB2 LYS A 76 10.006 -14.141 -7.649 1.00 44.02 H new ATOM 0 HB3 LYS A 76 8.419 -14.247 -8.385 1.00 44.02 H new ATOM 0 HG2 LYS A 76 9.271 -14.834 -10.481 1.00 34.24 H new ATOM 0 HG3 LYS A 76 10.836 -14.108 -10.170 1.00 34.24 H new ATOM 0 HD2 LYS A 76 11.527 -16.228 -9.755 1.00 71.44 H new ATOM 0 HD3 LYS A 76 10.755 -16.020 -8.195 1.00 71.44 H new ATOM 0 HE2 LYS A 76 8.993 -16.876 -10.458 1.00 31.34 H new ATOM 0 HE3 LYS A 76 10.159 -18.052 -9.885 1.00 31.34 H new ATOM 0 HZ1 LYS A 76 8.065 -18.252 -8.714 1.00 43.53 H new ATOM 0 HZ2 LYS A 76 9.288 -17.779 -7.636 1.00 43.53 H new ATOM 0 HZ3 LYS A 76 8.158 -16.639 -8.192 1.00 43.53 H new ATOM 1227 N SER A 77 9.458 -11.478 -6.521 1.00 63.31 N ATOM 1228 CA SER A 77 8.893 -10.830 -5.342 1.00 70.31 C ATOM 1229 C SER A 77 8.273 -9.484 -5.706 1.00 75.20 C ATOM 1230 O SER A 77 7.169 -9.158 -5.271 1.00 73.04 O ATOM 1231 CB SER A 77 9.972 -10.637 -4.275 1.00 53.51 C ATOM 1232 OG SER A 77 10.136 -11.809 -3.496 1.00 42.32 O ATOM 0 H SER A 77 10.443 -11.729 -6.434 1.00 63.31 H new ATOM 0 HA SER A 77 8.109 -11.474 -4.943 1.00 70.31 H new ATOM 0 HB2 SER A 77 10.917 -10.379 -4.752 1.00 53.51 H new ATOM 0 HB3 SER A 77 9.703 -9.802 -3.628 1.00 53.51 H new ATOM 0 HG SER A 77 10.832 -11.660 -2.823 1.00 42.32 H new ATOM 1238 N LEU A 78 8.993 -8.707 -6.507 1.00 31.34 N ATOM 1239 CA LEU A 78 8.516 -7.396 -6.931 1.00 13.43 C ATOM 1240 C LEU A 78 7.245 -7.522 -7.765 1.00 43.33 C ATOM 1241 O LEU A 78 6.304 -6.744 -7.602 1.00 64.02 O ATOM 1242 CB LEU A 78 9.598 -6.673 -7.737 1.00 44.02 C ATOM 1243 CG LEU A 78 9.248 -5.264 -8.219 1.00 21.42 C ATOM 1244 CD1 LEU A 78 9.117 -4.314 -7.039 1.00 21.30 C ATOM 1245 CD2 LEU A 78 10.297 -4.760 -9.199 1.00 53.04 C ATOM 0 H LEU A 78 9.909 -8.962 -6.876 1.00 31.34 H new ATOM 0 HA LEU A 78 8.287 -6.815 -6.038 1.00 13.43 H new ATOM 0 HB2 LEU A 78 10.499 -6.613 -7.126 1.00 44.02 H new ATOM 0 HB3 LEU A 78 9.843 -7.282 -8.607 1.00 44.02 H new ATOM 0 HG LEU A 78 8.288 -5.304 -8.734 1.00 21.42 H new ATOM 0 HD11 LEU A 78 8.868 -3.316 -7.401 1.00 21.30 H new ATOM 0 HD12 LEU A 78 8.328 -4.666 -6.374 1.00 21.30 H new ATOM 0 HD13 LEU A 78 10.061 -4.277 -6.495 1.00 21.30 H new ATOM 0 HD21 LEU A 78 10.032 -3.756 -9.531 1.00 53.04 H new ATOM 0 HD22 LEU A 78 11.270 -4.735 -8.709 1.00 53.04 H new ATOM 0 HD23 LEU A 78 10.341 -5.427 -10.060 1.00 53.04 H new ATOM 1257 N PHE A 79 7.222 -8.507 -8.656 1.00 74.15 N ATOM 1258 CA PHE A 79 6.066 -8.736 -9.514 1.00 20.42 C ATOM 1259 C PHE A 79 4.817 -9.008 -8.681 1.00 61.51 C ATOM 1260 O PHE A 79 3.724 -8.554 -9.016 1.00 42.31 O ATOM 1261 CB PHE A 79 6.330 -9.911 -10.457 1.00 20.43 C ATOM 1262 CG PHE A 79 5.198 -10.184 -11.406 1.00 44.11 C ATOM 1263 CD1 PHE A 79 4.845 -9.255 -12.371 1.00 0.12 C ATOM 1264 CD2 PHE A 79 4.484 -11.370 -11.333 1.00 74.53 C ATOM 1265 CE1 PHE A 79 3.804 -9.502 -13.245 1.00 21.41 C ATOM 1266 CE2 PHE A 79 3.443 -11.624 -12.204 1.00 3.21 C ATOM 1267 CZ PHE A 79 3.101 -10.689 -13.161 1.00 13.40 C ATOM 0 H PHE A 79 7.992 -9.160 -8.803 1.00 74.15 H new ATOM 0 HA PHE A 79 5.898 -7.836 -10.105 1.00 20.42 H new ATOM 0 HB2 PHE A 79 7.234 -9.710 -11.031 1.00 20.43 H new ATOM 0 HB3 PHE A 79 6.521 -10.806 -9.865 1.00 20.43 H new ATOM 0 HD1 PHE A 79 5.391 -8.326 -12.441 1.00 0.12 H new ATOM 0 HD2 PHE A 79 4.745 -12.105 -10.586 1.00 74.53 H new ATOM 0 HE1 PHE A 79 3.540 -8.769 -13.993 1.00 21.41 H new ATOM 0 HE2 PHE A 79 2.897 -12.553 -12.137 1.00 3.21 H new ATOM 0 HZ PHE A 79 2.286 -10.885 -13.842 1.00 13.40 H new ATOM 1277 N ASN A 80 4.988 -9.754 -7.595 1.00 33.51 N ATOM 1278 CA ASN A 80 3.875 -10.089 -6.714 1.00 25.43 C ATOM 1279 C ASN A 80 3.349 -8.844 -6.006 1.00 71.55 C ATOM 1280 O ASN A 80 2.140 -8.675 -5.839 1.00 74.21 O ATOM 1281 CB ASN A 80 4.309 -11.132 -5.682 1.00 43.53 C ATOM 1282 CG ASN A 80 4.235 -12.546 -6.223 1.00 74.52 C ATOM 1283 OD1 ASN A 80 4.105 -12.756 -7.430 1.00 54.43 O ATOM 1284 ND2 ASN A 80 4.318 -13.526 -5.331 1.00 61.34 N ATOM 0 H ASN A 80 5.887 -10.138 -7.304 1.00 33.51 H new ATOM 0 HA ASN A 80 3.073 -10.505 -7.324 1.00 25.43 H new ATOM 0 HB2 ASN A 80 5.330 -10.921 -5.363 1.00 43.53 H new ATOM 0 HB3 ASN A 80 3.676 -11.050 -4.799 1.00 43.53 H new ATOM 0 HD21 ASN A 80 4.275 -14.498 -5.636 1.00 61.34 H new ATOM 0 HD22 ASN A 80 4.425 -13.306 -4.341 1.00 61.34 H new ATOM 1291 N THR A 81 4.265 -7.975 -5.591 1.00 42.25 N ATOM 1292 CA THR A 81 3.894 -6.746 -4.900 1.00 40.24 C ATOM 1293 C THR A 81 3.237 -5.755 -5.853 1.00 31.45 C ATOM 1294 O THR A 81 2.152 -5.242 -5.581 1.00 2.21 O ATOM 1295 CB THR A 81 5.118 -6.077 -4.247 1.00 35.22 C ATOM 1296 OG1 THR A 81 5.890 -7.054 -3.538 1.00 42.13 O ATOM 1297 CG2 THR A 81 4.688 -4.973 -3.293 1.00 61.51 C ATOM 0 H THR A 81 5.269 -8.099 -5.721 1.00 42.25 H new ATOM 0 HA THR A 81 3.183 -7.024 -4.123 1.00 40.24 H new ATOM 0 HB THR A 81 5.727 -5.636 -5.036 1.00 35.22 H new ATOM 0 HG1 THR A 81 6.369 -7.620 -4.179 1.00 42.13 H new ATOM 0 HG21 THR A 81 5.570 -4.516 -2.844 1.00 61.51 H new ATOM 0 HG22 THR A 81 4.126 -4.217 -3.841 1.00 61.51 H new ATOM 0 HG23 THR A 81 4.059 -5.394 -2.509 1.00 61.51 H new ATOM 1305 N VAL A 82 3.900 -5.491 -6.974 1.00 33.34 N ATOM 1306 CA VAL A 82 3.379 -4.563 -7.971 1.00 53.33 C ATOM 1307 C VAL A 82 1.954 -4.929 -8.371 1.00 62.22 C ATOM 1308 O VAL A 82 1.170 -4.067 -8.769 1.00 42.51 O ATOM 1309 CB VAL A 82 4.264 -4.538 -9.231 1.00 12.42 C ATOM 1310 CG1 VAL A 82 3.725 -3.537 -10.242 1.00 1.22 C ATOM 1311 CG2 VAL A 82 5.705 -4.216 -8.865 1.00 4.20 C ATOM 0 H VAL A 82 4.800 -5.907 -7.215 1.00 33.34 H new ATOM 0 HA VAL A 82 3.382 -3.573 -7.514 1.00 53.33 H new ATOM 0 HB VAL A 82 4.243 -5.527 -9.688 1.00 12.42 H new ATOM 0 HG11 VAL A 82 4.363 -3.533 -11.126 1.00 1.22 H new ATOM 0 HG12 VAL A 82 2.711 -3.818 -10.528 1.00 1.22 H new ATOM 0 HG13 VAL A 82 3.714 -2.542 -9.798 1.00 1.22 H new ATOM 0 HG21 VAL A 82 6.315 -4.203 -9.768 1.00 4.20 H new ATOM 0 HG22 VAL A 82 5.748 -3.239 -8.383 1.00 4.20 H new ATOM 0 HG23 VAL A 82 6.085 -4.975 -8.181 1.00 4.20 H new ATOM 1321 N CYS A 83 1.626 -6.211 -8.261 1.00 14.05 N ATOM 1322 CA CYS A 83 0.294 -6.692 -8.612 1.00 75.41 C ATOM 1323 C CYS A 83 -0.745 -6.186 -7.618 1.00 62.12 C ATOM 1324 O CYS A 83 -1.878 -5.879 -7.990 1.00 32.24 O ATOM 1325 CB CYS A 83 0.277 -8.221 -8.654 1.00 64.22 C ATOM 1326 SG CYS A 83 0.888 -8.924 -10.203 1.00 33.43 S ATOM 0 H CYS A 83 2.263 -6.936 -7.932 1.00 14.05 H new ATOM 0 HA CYS A 83 0.043 -6.306 -9.600 1.00 75.41 H new ATOM 0 HB2 CYS A 83 0.881 -8.603 -7.831 1.00 64.22 H new ATOM 0 HB3 CYS A 83 -0.743 -8.567 -8.488 1.00 64.22 H new ATOM 0 HG CYS A 83 2.187 -8.975 -10.174 1.00 33.43 H new ATOM 1332 N VAL A 84 -0.353 -6.103 -6.350 1.00 63.00 N ATOM 1333 CA VAL A 84 -1.252 -5.635 -5.301 1.00 13.44 C ATOM 1334 C VAL A 84 -1.348 -4.114 -5.299 1.00 1.53 C ATOM 1335 O VAL A 84 -2.428 -3.550 -5.114 1.00 53.52 O ATOM 1336 CB VAL A 84 -0.788 -6.111 -3.912 1.00 42.42 C ATOM 1337 CG1 VAL A 84 -1.749 -5.629 -2.835 1.00 74.22 C ATOM 1338 CG2 VAL A 84 -0.658 -7.626 -3.884 1.00 45.30 C ATOM 0 H VAL A 84 0.581 -6.354 -6.025 1.00 63.00 H new ATOM 0 HA VAL A 84 -2.234 -6.058 -5.513 1.00 13.44 H new ATOM 0 HB VAL A 84 0.193 -5.682 -3.708 1.00 42.42 H new ATOM 0 HG11 VAL A 84 -1.406 -5.975 -1.860 1.00 74.22 H new ATOM 0 HG12 VAL A 84 -1.786 -4.540 -2.842 1.00 74.22 H new ATOM 0 HG13 VAL A 84 -2.745 -6.027 -3.031 1.00 74.22 H new ATOM 0 HG21 VAL A 84 -0.329 -7.945 -2.895 1.00 45.30 H new ATOM 0 HG22 VAL A 84 -1.624 -8.078 -4.108 1.00 45.30 H new ATOM 0 HG23 VAL A 84 0.073 -7.942 -4.629 1.00 45.30 H new ATOM 1348 N ILE A 85 -0.214 -3.454 -5.509 1.00 3.52 N ATOM 1349 CA ILE A 85 -0.172 -1.996 -5.533 1.00 72.33 C ATOM 1350 C ILE A 85 -1.055 -1.439 -6.644 1.00 41.25 C ATOM 1351 O ILE A 85 -1.794 -0.476 -6.439 1.00 71.44 O ATOM 1352 CB ILE A 85 1.266 -1.479 -5.727 1.00 61.15 C ATOM 1353 CG1 ILE A 85 2.200 -2.100 -4.686 1.00 1.02 C ATOM 1354 CG2 ILE A 85 1.299 0.040 -5.636 1.00 43.03 C ATOM 1355 CD1 ILE A 85 2.033 -1.519 -3.300 1.00 30.43 C ATOM 0 H ILE A 85 0.688 -3.905 -5.665 1.00 3.52 H new ATOM 0 HA ILE A 85 -0.547 -1.653 -4.569 1.00 72.33 H new ATOM 0 HB ILE A 85 1.611 -1.773 -6.718 1.00 61.15 H new ATOM 0 HG12 ILE A 85 2.021 -3.174 -4.645 1.00 1.02 H new ATOM 0 HG13 ILE A 85 3.232 -1.961 -5.007 1.00 1.02 H new ATOM 0 HG21 ILE A 85 2.322 0.391 -5.775 1.00 43.03 H new ATOM 0 HG22 ILE A 85 0.661 0.465 -6.411 1.00 43.03 H new ATOM 0 HG23 ILE A 85 0.938 0.354 -4.657 1.00 43.03 H new ATOM 0 HD11 ILE A 85 2.727 -2.007 -2.615 1.00 30.43 H new ATOM 0 HD12 ILE A 85 2.241 -0.449 -3.326 1.00 30.43 H new ATOM 0 HD13 ILE A 85 1.011 -1.682 -2.958 1.00 30.43 H new ATOM 1367 N TRP A 86 -0.975 -2.052 -7.820 1.00 55.44 N ATOM 1368 CA TRP A 86 -1.768 -1.617 -8.963 1.00 64.53 C ATOM 1369 C TRP A 86 -3.259 -1.781 -8.685 1.00 21.55 C ATOM 1370 O TRP A 86 -4.072 -0.957 -9.103 1.00 24.11 O ATOM 1371 CB TRP A 86 -1.379 -2.411 -10.211 1.00 20.00 C ATOM 1372 CG TRP A 86 -2.130 -1.993 -11.439 1.00 4.24 C ATOM 1373 CD1 TRP A 86 -1.715 -1.108 -12.391 1.00 1.54 C ATOM 1374 CD2 TRP A 86 -3.427 -2.442 -11.845 1.00 21.33 C ATOM 1375 NE1 TRP A 86 -2.676 -0.979 -13.365 1.00 12.23 N ATOM 1376 CE2 TRP A 86 -3.736 -1.789 -13.053 1.00 0.33 C ATOM 1377 CE3 TRP A 86 -4.357 -3.336 -11.307 1.00 42.14 C ATOM 1378 CZ2 TRP A 86 -4.935 -1.999 -13.730 1.00 60.33 C ATOM 1379 CZ3 TRP A 86 -5.547 -3.544 -11.977 1.00 25.14 C ATOM 1380 CH2 TRP A 86 -5.827 -2.879 -13.179 1.00 23.24 C ATOM 0 H TRP A 86 -0.369 -2.851 -8.006 1.00 55.44 H new ATOM 0 HA TRP A 86 -1.564 -0.560 -9.135 1.00 64.53 H new ATOM 0 HB2 TRP A 86 -0.310 -2.293 -10.390 1.00 20.00 H new ATOM 0 HB3 TRP A 86 -1.556 -3.471 -10.029 1.00 20.00 H new ATOM 0 HD1 TRP A 86 -0.770 -0.585 -12.381 1.00 1.54 H new ATOM 0 HE1 TRP A 86 -2.611 -0.378 -14.187 1.00 12.23 H new ATOM 0 HE3 TRP A 86 -4.149 -3.855 -10.383 1.00 42.14 H new ATOM 0 HZ2 TRP A 86 -5.153 -1.487 -14.655 1.00 60.33 H new ATOM 0 HZ3 TRP A 86 -6.274 -4.230 -11.568 1.00 25.14 H new ATOM 0 HH2 TRP A 86 -6.765 -3.065 -13.680 1.00 23.24 H new ATOM 1391 N CYS A 87 -3.610 -2.850 -7.978 1.00 10.22 N ATOM 1392 CA CYS A 87 -5.003 -3.123 -7.644 1.00 3.33 C ATOM 1393 C CYS A 87 -5.590 -1.997 -6.798 1.00 22.42 C ATOM 1394 O CYS A 87 -6.548 -1.338 -7.203 1.00 41.52 O ATOM 1395 CB CYS A 87 -5.121 -4.452 -6.899 1.00 73.11 C ATOM 1396 SG CYS A 87 -6.014 -5.733 -7.810 1.00 64.34 S ATOM 0 H CYS A 87 -2.949 -3.542 -7.625 1.00 10.22 H new ATOM 0 HA CYS A 87 -5.568 -3.186 -8.574 1.00 3.33 H new ATOM 0 HB2 CYS A 87 -4.120 -4.817 -6.668 1.00 73.11 H new ATOM 0 HB3 CYS A 87 -5.625 -4.280 -5.948 1.00 73.11 H new ATOM 0 HG CYS A 87 -7.235 -5.807 -7.370 1.00 64.34 H new ATOM 1402 N ILE A 88 -5.010 -1.784 -5.622 1.00 63.12 N ATOM 1403 CA ILE A 88 -5.475 -0.739 -4.719 1.00 64.31 C ATOM 1404 C ILE A 88 -5.739 0.560 -5.471 1.00 13.11 C ATOM 1405 O ILE A 88 -6.684 1.289 -5.164 1.00 32.51 O ATOM 1406 CB ILE A 88 -4.458 -0.472 -3.595 1.00 74.01 C ATOM 1407 CG1 ILE A 88 -4.289 -1.718 -2.722 1.00 3.24 C ATOM 1408 CG2 ILE A 88 -4.898 0.716 -2.753 1.00 61.53 C ATOM 1409 CD1 ILE A 88 -2.855 -2.179 -2.597 1.00 74.01 C ATOM 0 H ILE A 88 -4.217 -2.322 -5.272 1.00 63.12 H new ATOM 0 HA ILE A 88 -6.406 -1.095 -4.277 1.00 64.31 H new ATOM 0 HB ILE A 88 -3.495 -0.235 -4.047 1.00 74.01 H new ATOM 0 HG12 ILE A 88 -4.683 -1.511 -1.727 1.00 3.24 H new ATOM 0 HG13 ILE A 88 -4.887 -2.528 -3.140 1.00 3.24 H new ATOM 0 HG21 ILE A 88 -4.168 0.892 -1.963 1.00 61.53 H new ATOM 0 HG22 ILE A 88 -4.970 1.602 -3.384 1.00 61.53 H new ATOM 0 HG23 ILE A 88 -5.871 0.507 -2.309 1.00 61.53 H new ATOM 0 HD11 ILE A 88 -2.812 -3.066 -1.965 1.00 74.01 H new ATOM 0 HD12 ILE A 88 -2.462 -2.419 -3.585 1.00 74.01 H new ATOM 0 HD13 ILE A 88 -2.255 -1.386 -2.151 1.00 74.01 H new ATOM 1421 N HIS A 89 -4.898 0.846 -6.460 1.00 33.45 N ATOM 1422 CA HIS A 89 -5.040 2.058 -7.260 1.00 12.42 C ATOM 1423 C HIS A 89 -6.081 1.865 -8.358 1.00 22.51 C ATOM 1424 O HIS A 89 -6.743 2.847 -8.689 1.00 2.54 O ATOM 1425 CB HIS A 89 -3.696 2.446 -7.880 1.00 40.34 C ATOM 1426 CG HIS A 89 -2.638 2.758 -6.866 1.00 1.44 C ATOM 1427 ND1 HIS A 89 -2.912 3.339 -5.645 1.00 23.43 N ATOM 1428 CD2 HIS A 89 -1.298 2.567 -6.898 1.00 41.34 C ATOM 1429 CE1 HIS A 89 -1.786 3.490 -4.970 1.00 41.42 C ATOM 1430 NE2 HIS A 89 -0.793 3.030 -5.708 1.00 72.51 N ATOM 0 H HIS A 89 -4.111 0.255 -6.727 1.00 33.45 H new ATOM 0 HA HIS A 89 -5.374 2.860 -6.602 1.00 12.42 H new ATOM 0 HB2 HIS A 89 -3.350 1.631 -8.516 1.00 40.34 H new ATOM 0 HB3 HIS A 89 -3.839 3.314 -8.523 1.00 40.34 H new ATOM 0 HD2 HIS A 89 -0.732 2.132 -7.708 1.00 41.34 H new ATOM 0 HE1 HIS A 89 -1.694 3.917 -3.982 1.00 41.42 H new ATOM 0 HE2 HIS A 89 0.191 3.020 -5.438 1.00 72.51 H new ATOM 1438 N ALA A 90 -6.239 0.666 -8.911 1.00 43.30 N ATOM 1439 CA ALA A 90 -7.223 0.432 -9.961 1.00 11.31 C ATOM 1440 C ALA A 90 -8.631 0.345 -9.384 1.00 5.22 C ATOM 1441 O ALA A 90 -9.605 0.190 -10.121 1.00 73.00 O ATOM 1442 CB ALA A 90 -6.885 -0.837 -10.728 1.00 34.23 C ATOM 0 H ALA A 90 -5.698 -0.158 -8.649 1.00 43.30 H new ATOM 0 HA ALA A 90 -7.192 1.277 -10.648 1.00 11.31 H new ATOM 0 HB1 ALA A 90 -7.628 -0.999 -11.509 1.00 34.23 H new ATOM 0 HB2 ALA A 90 -5.899 -0.737 -11.181 1.00 34.23 H new ATOM 0 HB3 ALA A 90 -6.886 -1.686 -10.045 1.00 34.23 H new ATOM 1448 N GLU A 91 -8.732 0.445 -8.062 1.00 12.22 N ATOM 1449 CA GLU A 91 -10.023 0.376 -7.388 1.00 41.44 C ATOM 1450 C GLU A 91 -10.639 -1.013 -7.532 1.00 55.32 C ATOM 1451 O GLU A 91 -11.755 -1.159 -8.028 1.00 51.30 O ATOM 1452 CB GLU A 91 -10.977 1.430 -7.954 1.00 32.41 C ATOM 1453 CG GLU A 91 -10.362 2.816 -8.056 1.00 73.20 C ATOM 1454 CD GLU A 91 -10.239 3.295 -9.489 1.00 13.21 C ATOM 1455 OE1 GLU A 91 -11.258 3.275 -10.210 1.00 31.44 O ATOM 1456 OE2 GLU A 91 -9.124 3.691 -9.889 1.00 62.21 O ATOM 0 H GLU A 91 -7.936 0.574 -7.437 1.00 12.22 H new ATOM 0 HA GLU A 91 -9.861 0.575 -6.329 1.00 41.44 H new ATOM 0 HB2 GLU A 91 -11.307 1.115 -8.944 1.00 32.41 H new ATOM 0 HB3 GLU A 91 -11.864 1.481 -7.323 1.00 32.41 H new ATOM 0 HG2 GLU A 91 -10.971 3.522 -7.492 1.00 73.20 H new ATOM 0 HG3 GLU A 91 -9.375 2.806 -7.594 1.00 73.20 H new ATOM 1463 N GLU A 92 -9.901 -2.029 -7.096 1.00 32.03 N ATOM 1464 CA GLU A 92 -10.373 -3.405 -7.178 1.00 73.53 C ATOM 1465 C GLU A 92 -10.373 -4.065 -5.801 1.00 35.14 C ATOM 1466 O GLU A 92 -9.429 -3.907 -5.025 1.00 5.52 O ATOM 1467 CB GLU A 92 -9.499 -4.212 -8.142 1.00 62.15 C ATOM 1468 CG GLU A 92 -9.826 -3.971 -9.606 1.00 31.34 C ATOM 1469 CD GLU A 92 -10.893 -4.914 -10.128 1.00 4.31 C ATOM 1470 OE1 GLU A 92 -11.906 -5.112 -9.426 1.00 51.21 O ATOM 1471 OE2 GLU A 92 -10.714 -5.453 -11.241 1.00 70.43 O ATOM 0 H GLU A 92 -8.974 -1.925 -6.683 1.00 32.03 H new ATOM 0 HA GLU A 92 -11.396 -3.388 -7.554 1.00 73.53 H new ATOM 0 HB2 GLU A 92 -8.453 -3.962 -7.966 1.00 62.15 H new ATOM 0 HB3 GLU A 92 -9.615 -5.273 -7.922 1.00 62.15 H new ATOM 0 HG2 GLU A 92 -10.161 -2.942 -9.735 1.00 31.34 H new ATOM 0 HG3 GLU A 92 -8.920 -4.088 -10.201 1.00 31.34 H new ATOM 1478 N LYS A 93 -11.436 -4.804 -5.506 1.00 73.04 N ATOM 1479 CA LYS A 93 -11.560 -5.488 -4.224 1.00 32.41 C ATOM 1480 C LYS A 93 -10.790 -6.805 -4.233 1.00 43.23 C ATOM 1481 O LYS A 93 -11.074 -7.696 -5.033 1.00 4.24 O ATOM 1482 CB LYS A 93 -13.034 -5.749 -3.902 1.00 13.24 C ATOM 1483 CG LYS A 93 -13.827 -4.485 -3.618 1.00 10.20 C ATOM 1484 CD LYS A 93 -14.793 -4.681 -2.462 1.00 22.42 C ATOM 1485 CE LYS A 93 -16.199 -4.229 -2.827 1.00 30.54 C ATOM 1486 NZ LYS A 93 -17.219 -4.774 -1.890 1.00 70.33 N ATOM 0 H LYS A 93 -12.225 -4.945 -6.137 1.00 73.04 H new ATOM 0 HA LYS A 93 -11.135 -4.844 -3.454 1.00 32.41 H new ATOM 0 HB2 LYS A 93 -13.493 -6.275 -4.739 1.00 13.24 H new ATOM 0 HB3 LYS A 93 -13.097 -6.410 -3.037 1.00 13.24 H new ATOM 0 HG2 LYS A 93 -13.142 -3.669 -3.387 1.00 10.20 H new ATOM 0 HG3 LYS A 93 -14.381 -4.193 -4.511 1.00 10.20 H new ATOM 0 HD2 LYS A 93 -14.811 -5.733 -2.176 1.00 22.42 H new ATOM 0 HD3 LYS A 93 -14.443 -4.120 -1.595 1.00 22.42 H new ATOM 0 HE2 LYS A 93 -16.244 -3.140 -2.819 1.00 30.54 H new ATOM 0 HE3 LYS A 93 -16.431 -4.550 -3.843 1.00 30.54 H new ATOM 0 HZ1 LYS A 93 -18.163 -4.443 -2.174 1.00 70.33 H new ATOM 0 HZ2 LYS A 93 -17.195 -5.813 -1.916 1.00 70.33 H new ATOM 0 HZ3 LYS A 93 -17.013 -4.447 -0.924 1.00 70.33 H new ATOM 1500 N VAL A 94 -9.814 -6.920 -3.337 1.00 24.45 N ATOM 1501 CA VAL A 94 -9.005 -8.129 -3.242 1.00 63.34 C ATOM 1502 C VAL A 94 -8.967 -8.653 -1.810 1.00 42.45 C ATOM 1503 O VAL A 94 -9.680 -8.158 -0.937 1.00 61.52 O ATOM 1504 CB VAL A 94 -7.564 -7.881 -3.724 1.00 15.33 C ATOM 1505 CG1 VAL A 94 -7.562 -7.353 -5.151 1.00 1.11 C ATOM 1506 CG2 VAL A 94 -6.849 -6.916 -2.790 1.00 42.02 C ATOM 0 H VAL A 94 -9.565 -6.192 -2.668 1.00 24.45 H new ATOM 0 HA VAL A 94 -9.472 -8.873 -3.887 1.00 63.34 H new ATOM 0 HB VAL A 94 -7.027 -8.829 -3.711 1.00 15.33 H new ATOM 0 HG11 VAL A 94 -6.535 -7.184 -5.475 1.00 1.11 H new ATOM 0 HG12 VAL A 94 -8.034 -8.082 -5.809 1.00 1.11 H new ATOM 0 HG13 VAL A 94 -8.115 -6.415 -5.193 1.00 1.11 H new ATOM 0 HG21 VAL A 94 -5.832 -6.752 -3.146 1.00 42.02 H new ATOM 0 HG22 VAL A 94 -7.384 -5.966 -2.769 1.00 42.02 H new ATOM 0 HG23 VAL A 94 -6.819 -7.337 -1.785 1.00 42.02 H new ATOM 1516 N LYS A 95 -8.129 -9.656 -1.575 1.00 60.33 N ATOM 1517 CA LYS A 95 -7.994 -10.247 -0.249 1.00 61.14 C ATOM 1518 C LYS A 95 -6.534 -10.560 0.062 1.00 53.33 C ATOM 1519 O LYS A 95 -6.064 -10.330 1.176 1.00 43.21 O ATOM 1520 CB LYS A 95 -8.833 -11.523 -0.149 1.00 50.03 C ATOM 1521 CG LYS A 95 -10.004 -11.408 0.811 1.00 2.15 C ATOM 1522 CD LYS A 95 -9.597 -11.751 2.234 1.00 21.54 C ATOM 1523 CE LYS A 95 -10.439 -10.999 3.252 1.00 31.31 C ATOM 1524 NZ LYS A 95 -11.756 -11.657 3.477 1.00 20.14 N ATOM 0 H LYS A 95 -7.532 -10.077 -2.287 1.00 60.33 H new ATOM 0 HA LYS A 95 -8.355 -9.524 0.482 1.00 61.14 H new ATOM 0 HB2 LYS A 95 -9.210 -11.778 -1.139 1.00 50.03 H new ATOM 0 HB3 LYS A 95 -8.192 -12.345 0.170 1.00 50.03 H new ATOM 0 HG2 LYS A 95 -10.402 -10.394 0.780 1.00 2.15 H new ATOM 0 HG3 LYS A 95 -10.805 -12.074 0.490 1.00 2.15 H new ATOM 0 HD2 LYS A 95 -9.702 -12.824 2.395 1.00 21.54 H new ATOM 0 HD3 LYS A 95 -8.545 -11.508 2.381 1.00 21.54 H new ATOM 0 HE2 LYS A 95 -9.898 -10.937 4.196 1.00 31.31 H new ATOM 0 HE3 LYS A 95 -10.598 -9.977 2.908 1.00 31.31 H new ATOM 0 HZ1 LYS A 95 -12.300 -11.114 4.177 1.00 20.14 H new ATOM 0 HZ2 LYS A 95 -12.283 -11.693 2.581 1.00 20.14 H new ATOM 0 HZ3 LYS A 95 -11.605 -12.624 3.830 1.00 20.14 H new ATOM 1538 N ASP A 96 -5.823 -11.084 -0.929 1.00 15.15 N ATOM 1539 CA ASP A 96 -4.414 -11.426 -0.762 1.00 42.34 C ATOM 1540 C ASP A 96 -3.627 -11.123 -2.034 1.00 74.01 C ATOM 1541 O ASP A 96 -4.153 -10.532 -2.977 1.00 74.02 O ATOM 1542 CB ASP A 96 -4.267 -12.903 -0.395 1.00 35.02 C ATOM 1543 CG ASP A 96 -4.826 -13.823 -1.462 1.00 21.10 C ATOM 1544 OD1 ASP A 96 -4.069 -14.191 -2.385 1.00 22.44 O ATOM 1545 OD2 ASP A 96 -6.020 -14.177 -1.373 1.00 64.11 O ATOM 0 H ASP A 96 -6.198 -11.282 -1.857 1.00 15.15 H new ATOM 0 HA ASP A 96 -4.010 -10.817 0.047 1.00 42.34 H new ATOM 0 HB2 ASP A 96 -3.213 -13.132 -0.238 1.00 35.02 H new ATOM 0 HB3 ASP A 96 -4.779 -13.093 0.549 1.00 35.02 H new ATOM 1550 N THR A 97 -2.363 -11.533 -2.051 1.00 13.33 N ATOM 1551 CA THR A 97 -1.501 -11.304 -3.205 1.00 24.22 C ATOM 1552 C THR A 97 -1.922 -12.173 -4.385 1.00 75.12 C ATOM 1553 O THR A 97 -2.097 -11.680 -5.499 1.00 23.30 O ATOM 1554 CB THR A 97 -0.026 -11.591 -2.871 1.00 52.24 C ATOM 1555 OG1 THR A 97 0.448 -10.651 -1.898 1.00 3.14 O ATOM 1556 CG2 THR A 97 0.838 -11.513 -4.121 1.00 45.54 C ATOM 0 H THR A 97 -1.913 -12.025 -1.279 1.00 13.33 H new ATOM 0 HA THR A 97 -1.606 -10.253 -3.475 1.00 24.22 H new ATOM 0 HB THR A 97 0.041 -12.600 -2.465 1.00 52.24 H new ATOM 0 HG1 THR A 97 -0.308 -10.137 -1.544 1.00 3.14 H new ATOM 0 HG21 THR A 97 1.876 -11.719 -3.859 1.00 45.54 H new ATOM 0 HG22 THR A 97 0.494 -12.249 -4.848 1.00 45.54 H new ATOM 0 HG23 THR A 97 0.764 -10.515 -4.553 1.00 45.54 H new ATOM 1564 N GLU A 98 -2.080 -13.469 -4.134 1.00 53.13 N ATOM 1565 CA GLU A 98 -2.479 -14.406 -5.177 1.00 73.25 C ATOM 1566 C GLU A 98 -3.810 -13.993 -5.799 1.00 40.41 C ATOM 1567 O GLU A 98 -4.000 -14.096 -7.010 1.00 60.15 O ATOM 1568 CB GLU A 98 -2.587 -15.822 -4.607 1.00 3.23 C ATOM 1569 CG GLU A 98 -1.294 -16.614 -4.697 1.00 60.24 C ATOM 1570 CD GLU A 98 -1.441 -17.878 -5.522 1.00 1.01 C ATOM 1571 OE1 GLU A 98 -2.066 -17.814 -6.600 1.00 3.42 O ATOM 1572 OE2 GLU A 98 -0.928 -18.931 -5.089 1.00 71.31 O ATOM 0 H GLU A 98 -1.938 -13.893 -3.218 1.00 53.13 H new ATOM 0 HA GLU A 98 -1.715 -14.392 -5.954 1.00 73.25 H new ATOM 0 HB2 GLU A 98 -2.895 -15.762 -3.563 1.00 3.23 H new ATOM 0 HB3 GLU A 98 -3.371 -16.360 -5.140 1.00 3.23 H new ATOM 0 HG2 GLU A 98 -0.518 -15.987 -5.135 1.00 60.24 H new ATOM 0 HG3 GLU A 98 -0.962 -16.877 -3.692 1.00 60.24 H new ATOM 1579 N GLY A 99 -4.729 -13.524 -4.960 1.00 21.12 N ATOM 1580 CA GLY A 99 -6.031 -13.103 -5.445 1.00 35.42 C ATOM 1581 C GLY A 99 -5.944 -11.910 -6.375 1.00 55.43 C ATOM 1582 O GLY A 99 -6.493 -11.931 -7.475 1.00 4.14 O ATOM 0 H GLY A 99 -4.595 -13.428 -3.953 1.00 21.12 H new ATOM 0 HA2 GLY A 99 -6.507 -13.933 -5.967 1.00 35.42 H new ATOM 0 HA3 GLY A 99 -6.668 -12.853 -4.597 1.00 35.42 H new ATOM 1586 N ALA A 100 -5.253 -10.865 -5.932 1.00 50.33 N ATOM 1587 CA ALA A 100 -5.097 -9.657 -6.732 1.00 53.31 C ATOM 1588 C ALA A 100 -4.228 -9.919 -7.957 1.00 74.20 C ATOM 1589 O ALA A 100 -4.320 -9.211 -8.961 1.00 60.13 O ATOM 1590 CB ALA A 100 -4.501 -8.539 -5.890 1.00 44.33 C ATOM 0 H ALA A 100 -4.792 -10.831 -5.023 1.00 50.33 H new ATOM 0 HA ALA A 100 -6.084 -9.350 -7.077 1.00 53.31 H new ATOM 0 HB1 ALA A 100 -4.390 -7.643 -6.501 1.00 44.33 H new ATOM 0 HB2 ALA A 100 -5.161 -8.326 -5.049 1.00 44.33 H new ATOM 0 HB3 ALA A 100 -3.524 -8.846 -5.516 1.00 44.33 H new ATOM 1596 N LYS A 101 -3.381 -10.939 -7.869 1.00 64.33 N ATOM 1597 CA LYS A 101 -2.494 -11.296 -8.970 1.00 23.33 C ATOM 1598 C LYS A 101 -3.292 -11.807 -10.167 1.00 52.51 C ATOM 1599 O LYS A 101 -2.952 -11.523 -11.315 1.00 73.43 O ATOM 1600 CB LYS A 101 -1.492 -12.361 -8.520 1.00 64.30 C ATOM 1601 CG LYS A 101 -0.069 -11.845 -8.402 1.00 14.10 C ATOM 1602 CD LYS A 101 0.872 -12.918 -7.880 1.00 55.15 C ATOM 1603 CE LYS A 101 1.025 -14.058 -8.873 1.00 2.02 C ATOM 1604 NZ LYS A 101 0.182 -15.231 -8.507 1.00 14.32 N ATOM 0 H LYS A 101 -3.290 -11.534 -7.045 1.00 64.33 H new ATOM 0 HA LYS A 101 -1.951 -10.400 -9.272 1.00 23.33 H new ATOM 0 HB2 LYS A 101 -1.806 -12.759 -7.555 1.00 64.30 H new ATOM 0 HB3 LYS A 101 -1.512 -13.189 -9.228 1.00 64.30 H new ATOM 0 HG2 LYS A 101 0.276 -11.500 -9.377 1.00 14.10 H new ATOM 0 HG3 LYS A 101 -0.047 -10.984 -7.734 1.00 14.10 H new ATOM 0 HD2 LYS A 101 1.848 -12.479 -7.676 1.00 55.15 H new ATOM 0 HD3 LYS A 101 0.493 -13.306 -6.935 1.00 55.15 H new ATOM 0 HE2 LYS A 101 0.751 -13.711 -9.869 1.00 2.02 H new ATOM 0 HE3 LYS A 101 2.071 -14.362 -8.918 1.00 2.02 H new ATOM 0 HZ1 LYS A 101 -0.042 -15.778 -9.363 1.00 14.32 H new ATOM 0 HZ2 LYS A 101 0.699 -15.834 -7.836 1.00 14.32 H new ATOM 0 HZ3 LYS A 101 -0.700 -14.901 -8.067 1.00 14.32 H new ATOM 1618 N GLN A 102 -4.353 -12.558 -9.889 1.00 54.10 N ATOM 1619 CA GLN A 102 -5.197 -13.106 -10.943 1.00 33.12 C ATOM 1620 C GLN A 102 -6.049 -12.014 -11.581 1.00 12.13 C ATOM 1621 O GLN A 102 -6.281 -12.021 -12.791 1.00 55.34 O ATOM 1622 CB GLN A 102 -6.096 -14.209 -10.384 1.00 11.23 C ATOM 1623 CG GLN A 102 -5.689 -15.606 -10.822 1.00 31.34 C ATOM 1624 CD GLN A 102 -6.779 -16.313 -11.604 1.00 22.34 C ATOM 1625 OE1 GLN A 102 -6.642 -16.555 -12.804 1.00 11.52 O ATOM 1626 NE2 GLN A 102 -7.871 -16.650 -10.927 1.00 53.10 N ATOM 0 H GLN A 102 -4.648 -12.800 -8.943 1.00 54.10 H new ATOM 0 HA GLN A 102 -4.548 -13.530 -11.710 1.00 33.12 H new ATOM 0 HB2 GLN A 102 -6.082 -14.160 -9.295 1.00 11.23 H new ATOM 0 HB3 GLN A 102 -7.123 -14.023 -10.699 1.00 11.23 H new ATOM 0 HG2 GLN A 102 -4.790 -15.543 -11.435 1.00 31.34 H new ATOM 0 HG3 GLN A 102 -5.435 -16.199 -9.943 1.00 31.34 H new ATOM 0 HE21 GLN A 102 -7.943 -16.430 -9.934 1.00 53.10 H new ATOM 0 HE22 GLN A 102 -8.637 -17.128 -11.401 1.00 53.10 H new ATOM 1635 N ILE A 103 -6.513 -11.077 -10.760 1.00 11.55 N ATOM 1636 CA ILE A 103 -7.338 -9.978 -11.245 1.00 1.23 C ATOM 1637 C ILE A 103 -6.557 -9.084 -12.204 1.00 63.12 C ATOM 1638 O ILE A 103 -7.068 -8.678 -13.247 1.00 22.22 O ATOM 1639 CB ILE A 103 -7.873 -9.121 -10.084 1.00 43.13 C ATOM 1640 CG1 ILE A 103 -8.682 -9.985 -9.114 1.00 70.11 C ATOM 1641 CG2 ILE A 103 -8.724 -7.977 -10.617 1.00 54.21 C ATOM 1642 CD1 ILE A 103 -9.232 -9.216 -7.933 1.00 23.35 C ATOM 0 H ILE A 103 -6.331 -11.057 -9.756 1.00 11.55 H new ATOM 0 HA ILE A 103 -8.180 -10.426 -11.774 1.00 1.23 H new ATOM 0 HB ILE A 103 -7.026 -8.697 -9.545 1.00 43.13 H new ATOM 0 HG12 ILE A 103 -9.509 -10.446 -9.654 1.00 70.11 H new ATOM 0 HG13 ILE A 103 -8.050 -10.794 -8.748 1.00 70.11 H new ATOM 0 HG21 ILE A 103 -9.095 -7.380 -9.784 1.00 54.21 H new ATOM 0 HG22 ILE A 103 -8.120 -7.349 -11.272 1.00 54.21 H new ATOM 0 HG23 ILE A 103 -9.567 -8.381 -11.177 1.00 54.21 H new ATOM 0 HD11 ILE A 103 -9.794 -9.892 -7.288 1.00 23.35 H new ATOM 0 HD12 ILE A 103 -8.409 -8.777 -7.369 1.00 23.35 H new ATOM 0 HD13 ILE A 103 -9.890 -8.424 -8.289 1.00 23.35 H new ATOM 1654 N VAL A 104 -5.314 -8.784 -11.843 1.00 13.41 N ATOM 1655 CA VAL A 104 -4.460 -7.940 -12.671 1.00 63.43 C ATOM 1656 C VAL A 104 -4.175 -8.601 -14.016 1.00 51.33 C ATOM 1657 O VAL A 104 -4.330 -7.980 -15.068 1.00 0.11 O ATOM 1658 CB VAL A 104 -3.124 -7.634 -11.969 1.00 3.55 C ATOM 1659 CG1 VAL A 104 -2.219 -6.813 -12.877 1.00 24.41 C ATOM 1660 CG2 VAL A 104 -3.367 -6.911 -10.653 1.00 22.03 C ATOM 0 H VAL A 104 -4.875 -9.113 -10.983 1.00 13.41 H new ATOM 0 HA VAL A 104 -4.998 -7.006 -12.834 1.00 63.43 H new ATOM 0 HB VAL A 104 -2.623 -8.578 -11.753 1.00 3.55 H new ATOM 0 HG11 VAL A 104 -1.280 -6.606 -12.364 1.00 24.41 H new ATOM 0 HG12 VAL A 104 -2.018 -7.371 -13.791 1.00 24.41 H new ATOM 0 HG13 VAL A 104 -2.710 -5.873 -13.127 1.00 24.41 H new ATOM 0 HG21 VAL A 104 -2.412 -6.703 -10.171 1.00 22.03 H new ATOM 0 HG22 VAL A 104 -3.889 -5.973 -10.844 1.00 22.03 H new ATOM 0 HG23 VAL A 104 -3.974 -7.538 -10.000 1.00 22.03 H new ATOM 1670 N ARG A 105 -3.759 -9.862 -13.973 1.00 24.13 N ATOM 1671 CA ARG A 105 -3.452 -10.606 -15.189 1.00 20.24 C ATOM 1672 C ARG A 105 -4.609 -10.529 -16.181 1.00 43.42 C ATOM 1673 O ARG A 105 -4.428 -10.133 -17.332 1.00 14.41 O ATOM 1674 CB ARG A 105 -3.150 -12.068 -14.855 1.00 52.51 C ATOM 1675 CG ARG A 105 -2.522 -12.839 -16.005 1.00 10.34 C ATOM 1676 CD ARG A 105 -3.501 -13.833 -16.609 1.00 70.42 C ATOM 1677 NE ARG A 105 -3.815 -14.921 -15.687 1.00 70.31 N ATOM 1678 CZ ARG A 105 -2.966 -15.900 -15.389 1.00 3.15 C ATOM 1679 NH1 ARG A 105 -1.760 -15.925 -15.938 1.00 31.33 N ATOM 1680 NH2 ARG A 105 -3.325 -16.855 -14.541 1.00 54.30 N ATOM 0 H ARG A 105 -3.627 -10.390 -13.110 1.00 24.13 H new ATOM 0 HA ARG A 105 -2.572 -10.155 -15.648 1.00 20.24 H new ATOM 0 HB2 ARG A 105 -2.480 -12.105 -13.996 1.00 52.51 H new ATOM 0 HB3 ARG A 105 -4.075 -12.563 -14.559 1.00 52.51 H new ATOM 0 HG2 ARG A 105 -2.189 -12.141 -16.774 1.00 10.34 H new ATOM 0 HG3 ARG A 105 -1.637 -13.368 -15.650 1.00 10.34 H new ATOM 0 HD2 ARG A 105 -4.420 -13.315 -16.885 1.00 70.42 H new ATOM 0 HD3 ARG A 105 -3.080 -14.245 -17.526 1.00 70.42 H new ATOM 0 HE ARG A 105 -4.736 -14.930 -15.248 1.00 70.31 H new ATOM 0 HH11 ARG A 105 -1.481 -15.192 -16.591 1.00 31.33 H new ATOM 0 HH12 ARG A 105 -1.110 -16.677 -15.708 1.00 31.33 H new ATOM 0 HH21 ARG A 105 -4.253 -16.838 -14.117 1.00 54.30 H new ATOM 0 HH22 ARG A 105 -2.673 -17.606 -14.313 1.00 54.30 H new ATOM 1694 N ARG A 106 -5.798 -10.910 -15.727 1.00 62.25 N ATOM 1695 CA ARG A 106 -6.985 -10.885 -16.574 1.00 74.31 C ATOM 1696 C ARG A 106 -7.115 -9.544 -17.288 1.00 33.01 C ATOM 1697 O ARG A 106 -7.599 -9.474 -18.418 1.00 31.02 O ATOM 1698 CB ARG A 106 -8.238 -11.156 -15.740 1.00 2.04 C ATOM 1699 CG ARG A 106 -9.520 -11.177 -16.557 1.00 33.41 C ATOM 1700 CD ARG A 106 -10.750 -11.184 -15.664 1.00 41.31 C ATOM 1701 NE ARG A 106 -11.813 -10.332 -16.191 1.00 61.15 N ATOM 1702 CZ ARG A 106 -12.915 -10.027 -15.513 1.00 55.34 C ATOM 1703 NH1 ARG A 106 -13.095 -10.500 -14.288 1.00 71.35 N ATOM 1704 NH2 ARG A 106 -13.837 -9.246 -16.060 1.00 50.53 N ATOM 0 H ARG A 106 -5.966 -11.240 -14.777 1.00 62.25 H new ATOM 0 HA ARG A 106 -6.881 -11.668 -17.326 1.00 74.31 H new ATOM 0 HB2 ARG A 106 -8.126 -12.113 -15.231 1.00 2.04 H new ATOM 0 HB3 ARG A 106 -8.322 -10.392 -14.967 1.00 2.04 H new ATOM 0 HG2 ARG A 106 -9.550 -10.306 -17.212 1.00 33.41 H new ATOM 0 HG3 ARG A 106 -9.530 -12.058 -17.198 1.00 33.41 H new ATOM 0 HD2 ARG A 106 -11.119 -12.205 -15.564 1.00 41.31 H new ATOM 0 HD3 ARG A 106 -10.475 -10.845 -14.665 1.00 41.31 H new ATOM 0 HE ARG A 106 -11.704 -9.950 -17.131 1.00 61.15 H new ATOM 0 HH11 ARG A 106 -12.387 -11.099 -13.864 1.00 71.35 H new ATOM 0 HH12 ARG A 106 -13.941 -10.265 -13.770 1.00 71.35 H new ATOM 0 HH21 ARG A 106 -13.701 -8.879 -17.002 1.00 50.53 H new ATOM 0 HH22 ARG A 106 -14.682 -9.013 -15.539 1.00 50.53 H new ATOM 1718 N HIS A 107 -6.678 -8.479 -16.621 1.00 24.31 N ATOM 1719 CA HIS A 107 -6.746 -7.138 -17.192 1.00 63.12 C ATOM 1720 C HIS A 107 -5.573 -6.891 -18.136 1.00 34.40 C ATOM 1721 O HIS A 107 -5.827 -6.417 -19.244 1.00 64.42 O ATOM 1722 CB HIS A 107 -6.751 -6.087 -16.081 1.00 25.11 C ATOM 1723 CG HIS A 107 -8.088 -5.917 -15.426 1.00 52.13 C ATOM 1724 ND1 HIS A 107 -9.270 -5.846 -16.132 1.00 13.12 N ATOM 1725 CD2 HIS A 107 -8.425 -5.805 -14.119 1.00 13.35 C ATOM 1726 CE1 HIS A 107 -10.275 -5.696 -15.289 1.00 2.42 C ATOM 1727 NE2 HIS A 107 -9.790 -5.669 -14.060 1.00 0.33 N ATOM 0 H HIS A 107 -6.273 -8.519 -15.685 1.00 24.31 H new ATOM 0 HA HIS A 107 -7.672 -7.058 -17.761 1.00 63.12 H new ATOM 0 HB2 HIS A 107 -6.017 -6.366 -15.325 1.00 25.11 H new ATOM 0 HB3 HIS A 107 -6.434 -5.130 -16.495 1.00 25.11 H new ATOM 0 HD2 HIS A 107 -7.746 -5.820 -13.279 1.00 13.35 H new ATOM 0 HE1 HIS A 107 -11.317 -5.610 -15.558 1.00 2.42 H new ATOM 0 HE2 HIS A 107 -10.340 -5.564 -13.207 1.00 0.33 H new ATOM 1735 N LEU A 108 -4.339 -7.187 -17.742 1.00 25.43 N ATOM 1736 CA LEU A 108 -3.186 -6.969 -18.609 1.00 32.24 C ATOM 1737 C LEU A 108 -3.320 -7.764 -19.904 1.00 2.12 C ATOM 1738 O LEU A 108 -2.905 -7.308 -20.970 1.00 70.33 O ATOM 1739 CB LEU A 108 -1.898 -7.364 -17.886 1.00 15.33 C ATOM 1740 CG LEU A 108 -1.488 -6.476 -16.711 1.00 60.21 C ATOM 1741 CD1 LEU A 108 -0.487 -7.196 -15.821 1.00 64.15 C ATOM 1742 CD2 LEU A 108 -0.908 -5.161 -17.212 1.00 25.05 C ATOM 0 H LEU A 108 -4.111 -7.578 -16.828 1.00 25.43 H new ATOM 0 HA LEU A 108 -3.145 -5.909 -18.858 1.00 32.24 H new ATOM 0 HB2 LEU A 108 -2.008 -8.386 -17.522 1.00 15.33 H new ATOM 0 HB3 LEU A 108 -1.085 -7.370 -18.612 1.00 15.33 H new ATOM 0 HG LEU A 108 -2.377 -6.257 -16.120 1.00 60.21 H new ATOM 0 HD11 LEU A 108 -0.207 -6.548 -14.990 1.00 64.15 H new ATOM 0 HD12 LEU A 108 -0.937 -8.110 -15.433 1.00 64.15 H new ATOM 0 HD13 LEU A 108 0.401 -7.447 -16.401 1.00 64.15 H new ATOM 0 HD21 LEU A 108 -0.622 -4.542 -16.362 1.00 25.05 H new ATOM 0 HD22 LEU A 108 -0.030 -5.361 -17.827 1.00 25.05 H new ATOM 0 HD23 LEU A 108 -1.656 -4.637 -17.807 1.00 25.05 H new