USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 400 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 35 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -2.27 K(o=-2.6,f=0.26) USER MOD Set 2.2: A 61 SER OG : rot -109:sc= -0.289 USER MOD Single : A 16 SER OG : rot 42:sc= 0.655 USER MOD Single : A 20 THR OG1 : rot 122:sc= 0.362 USER MOD Single : A 21 ASN : amide:sc= -0.649 K(o=-0.65,f=-7.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.705 K(o=-0.71,f=-6.2!) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0419 (180deg=-0.392) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.267 K(o=-0.27,f=-4.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.336 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 51 GLN : amide:sc= 0.675 K(o=0.67,f=-1.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -1.665 -1.310 -14.861 1.00 34.30 N ATOM 155 CA ALA A 11 -1.311 -2.189 -13.751 1.00 32.42 C ATOM 156 C ALA A 11 -1.225 -1.397 -12.454 1.00 43.52 C ATOM 157 O ALA A 11 -1.672 -1.854 -11.398 1.00 70.44 O ATOM 158 CB ALA A 11 0.004 -2.895 -14.028 1.00 44.24 C ATOM 0 HA ALA A 11 -2.091 -2.943 -13.647 1.00 32.42 H new ATOM 0 HB1 ALA A 11 0.251 -3.546 -13.189 1.00 44.24 H new ATOM 0 HB2 ALA A 11 -0.087 -3.492 -14.936 1.00 44.24 H new ATOM 0 HB3 ALA A 11 0.794 -2.155 -14.158 1.00 44.24 H new ATOM 164 N LEU A 12 -0.658 -0.199 -12.542 1.00 50.54 N ATOM 165 CA LEU A 12 -0.611 0.709 -11.406 1.00 73.01 C ATOM 166 C LEU A 12 -1.953 1.414 -11.263 1.00 21.25 C ATOM 167 O LEU A 12 -2.094 2.602 -11.544 1.00 44.04 O ATOM 168 CB LEU A 12 0.551 1.719 -11.518 1.00 62.03 C ATOM 169 CG LEU A 12 0.682 2.506 -12.834 1.00 55.44 C ATOM 170 CD1 LEU A 12 1.569 3.719 -12.625 1.00 51.02 C ATOM 171 CD2 LEU A 12 1.269 1.637 -13.938 1.00 60.14 C ATOM 0 H LEU A 12 -0.224 0.165 -13.390 1.00 50.54 H new ATOM 0 HA LEU A 12 -0.420 0.124 -10.506 1.00 73.01 H new ATOM 0 HB2 LEU A 12 0.452 2.438 -10.704 1.00 62.03 H new ATOM 0 HB3 LEU A 12 1.484 1.179 -11.355 1.00 62.03 H new ATOM 0 HG LEU A 12 -0.316 2.825 -13.136 1.00 55.44 H new ATOM 0 HD11 LEU A 12 1.657 4.271 -13.561 1.00 51.02 H new ATOM 0 HD12 LEU A 12 1.130 4.364 -11.863 1.00 51.02 H new ATOM 0 HD13 LEU A 12 2.558 3.395 -12.301 1.00 51.02 H new ATOM 0 HD21 LEU A 12 1.350 2.220 -14.856 1.00 60.14 H new ATOM 0 HD22 LEU A 12 2.258 1.290 -13.640 1.00 60.14 H new ATOM 0 HD23 LEU A 12 0.620 0.779 -14.109 1.00 60.14 H new ATOM 183 N ASN A 13 -2.951 0.635 -10.868 1.00 71.51 N ATOM 184 CA ASN A 13 -4.313 1.128 -10.730 1.00 51.01 C ATOM 185 C ASN A 13 -4.778 1.019 -9.283 1.00 13.12 C ATOM 186 O ASN A 13 -5.371 1.948 -8.737 1.00 22.43 O ATOM 187 CB ASN A 13 -5.247 0.323 -11.642 1.00 61.24 C ATOM 188 CG ASN A 13 -6.602 0.969 -11.839 1.00 21.13 C ATOM 189 OD1 ASN A 13 -6.801 1.736 -12.777 1.00 10.42 O ATOM 190 ND2 ASN A 13 -7.546 0.655 -10.971 1.00 4.14 N ATOM 0 H ASN A 13 -2.839 -0.352 -10.635 1.00 71.51 H new ATOM 0 HA ASN A 13 -4.338 2.178 -11.022 1.00 51.01 H new ATOM 0 HB2 ASN A 13 -4.770 0.193 -12.614 1.00 61.24 H new ATOM 0 HB3 ASN A 13 -5.386 -0.672 -11.220 1.00 61.24 H new ATOM 0 HD21 ASN A 13 -8.480 1.054 -11.067 1.00 4.14 H new ATOM 0 HD22 ASN A 13 -7.341 0.014 -10.205 1.00 4.14 H new ATOM 197 N VAL A 14 -4.502 -0.126 -8.658 1.00 40.11 N ATOM 198 CA VAL A 14 -4.960 -0.373 -7.298 1.00 13.31 C ATOM 199 C VAL A 14 -3.791 -0.730 -6.382 1.00 54.20 C ATOM 200 O VAL A 14 -3.438 0.033 -5.480 1.00 21.41 O ATOM 201 CB VAL A 14 -5.997 -1.520 -7.263 1.00 71.11 C ATOM 202 CG1 VAL A 14 -6.644 -1.636 -5.893 1.00 41.33 C ATOM 203 CG2 VAL A 14 -7.055 -1.319 -8.330 1.00 41.52 C ATOM 0 H VAL A 14 -3.967 -0.890 -9.071 1.00 40.11 H new ATOM 0 HA VAL A 14 -5.427 0.546 -6.943 1.00 13.31 H new ATOM 0 HB VAL A 14 -5.468 -2.451 -7.467 1.00 71.11 H new ATOM 0 HG11 VAL A 14 -7.368 -2.451 -5.900 1.00 41.33 H new ATOM 0 HG12 VAL A 14 -5.878 -1.838 -5.145 1.00 41.33 H new ATOM 0 HG13 VAL A 14 -7.151 -0.702 -5.650 1.00 41.33 H new ATOM 0 HG21 VAL A 14 -7.774 -2.137 -8.288 1.00 41.52 H new ATOM 0 HG22 VAL A 14 -7.570 -0.374 -8.158 1.00 41.52 H new ATOM 0 HG23 VAL A 14 -6.583 -1.302 -9.312 1.00 41.52 H new ATOM 213 N ARG A 15 -3.182 -1.885 -6.620 1.00 73.34 N ATOM 214 CA ARG A 15 -2.063 -2.348 -5.804 1.00 54.34 C ATOM 215 C ARG A 15 -0.903 -2.783 -6.675 1.00 24.01 C ATOM 216 O ARG A 15 -1.109 -3.374 -7.729 1.00 52.04 O ATOM 217 CB ARG A 15 -2.468 -3.525 -4.915 1.00 52.12 C ATOM 218 CG ARG A 15 -2.838 -3.161 -3.483 1.00 1.42 C ATOM 219 CD ARG A 15 -4.291 -2.744 -3.349 1.00 71.12 C ATOM 220 NE ARG A 15 -4.466 -1.296 -3.411 1.00 32.32 N ATOM 221 CZ ARG A 15 -5.445 -0.638 -2.794 1.00 74.12 C ATOM 222 NH1 ARG A 15 -6.333 -1.302 -2.058 1.00 32.22 N ATOM 223 NH2 ARG A 15 -5.545 0.680 -2.930 1.00 42.32 N ATOM 0 H ARG A 15 -3.444 -2.521 -7.373 1.00 73.34 H new ATOM 0 HA ARG A 15 -1.762 -1.509 -5.177 1.00 54.34 H new ATOM 0 HB2 ARG A 15 -3.317 -4.031 -5.375 1.00 52.12 H new ATOM 0 HB3 ARG A 15 -1.646 -4.240 -4.890 1.00 52.12 H new ATOM 0 HG2 ARG A 15 -2.646 -4.015 -2.833 1.00 1.42 H new ATOM 0 HG3 ARG A 15 -2.197 -2.349 -3.140 1.00 1.42 H new ATOM 0 HD2 ARG A 15 -4.874 -3.211 -4.142 1.00 71.12 H new ATOM 0 HD3 ARG A 15 -4.686 -3.114 -2.403 1.00 71.12 H new ATOM 0 HE ARG A 15 -3.798 -0.756 -3.960 1.00 32.32 H new ATOM 0 HH11 ARG A 15 -6.264 -2.316 -1.966 1.00 32.22 H new ATOM 0 HH12 ARG A 15 -7.083 -0.797 -1.585 1.00 32.22 H new ATOM 0 HH21 ARG A 15 -4.872 1.186 -3.506 1.00 42.32 H new ATOM 0 HH22 ARG A 15 -6.294 1.186 -2.458 1.00 42.32 H new ATOM 237 N SER A 16 0.309 -2.487 -6.210 1.00 22.44 N ATOM 238 CA SER A 16 1.547 -2.964 -6.827 1.00 3.42 C ATOM 239 C SER A 16 1.547 -2.804 -8.344 1.00 65.42 C ATOM 240 O SER A 16 1.360 -3.767 -9.084 1.00 53.23 O ATOM 241 CB SER A 16 1.810 -4.422 -6.435 1.00 41.41 C ATOM 242 OG SER A 16 0.706 -5.257 -6.753 1.00 53.01 O ATOM 0 H SER A 16 0.462 -1.904 -5.387 1.00 22.44 H new ATOM 0 HA SER A 16 2.356 -2.340 -6.447 1.00 3.42 H new ATOM 0 HB2 SER A 16 2.700 -4.783 -6.950 1.00 41.41 H new ATOM 0 HB3 SER A 16 2.015 -4.481 -5.366 1.00 41.41 H new ATOM 0 HG SER A 16 0.354 -5.013 -7.635 1.00 53.01 H new ATOM 248 N GLY A 17 1.706 -1.575 -8.799 1.00 0.20 N ATOM 249 CA GLY A 17 1.820 -1.329 -10.220 1.00 2.50 C ATOM 250 C GLY A 17 3.049 -0.514 -10.557 1.00 43.53 C ATOM 251 O GLY A 17 3.457 -0.439 -11.714 1.00 5.01 O ATOM 0 H GLY A 17 1.758 -0.743 -8.212 1.00 0.20 H new ATOM 0 HA2 GLY A 17 1.859 -2.280 -10.751 1.00 2.50 H new ATOM 0 HA3 GLY A 17 0.930 -0.805 -10.570 1.00 2.50 H new ATOM 255 N GLU A 18 3.639 0.091 -9.540 1.00 4.12 N ATOM 256 CA GLU A 18 4.793 0.955 -9.719 1.00 32.12 C ATOM 257 C GLU A 18 5.476 1.160 -8.371 1.00 2.40 C ATOM 258 O GLU A 18 4.881 1.720 -7.447 1.00 51.22 O ATOM 259 CB GLU A 18 4.347 2.303 -10.314 1.00 12.22 C ATOM 260 CG GLU A 18 5.456 3.102 -10.987 1.00 45.32 C ATOM 261 CD GLU A 18 6.509 3.588 -10.018 1.00 10.54 C ATOM 262 OE1 GLU A 18 6.221 4.514 -9.233 1.00 60.13 O ATOM 263 OE2 GLU A 18 7.633 3.050 -10.035 1.00 32.24 O ATOM 0 H GLU A 18 3.333 -0.002 -8.571 1.00 4.12 H new ATOM 0 HA GLU A 18 5.500 0.494 -10.409 1.00 32.12 H new ATOM 0 HB2 GLU A 18 3.557 2.119 -11.042 1.00 12.22 H new ATOM 0 HB3 GLU A 18 3.913 2.909 -9.519 1.00 12.22 H new ATOM 0 HG2 GLU A 18 5.930 2.483 -11.749 1.00 45.32 H new ATOM 0 HG3 GLU A 18 5.019 3.959 -11.499 1.00 45.32 H new ATOM 270 N GLY A 19 6.702 0.684 -8.250 1.00 73.45 N ATOM 271 CA GLY A 19 7.440 0.862 -7.020 1.00 2.04 C ATOM 272 C GLY A 19 8.336 -0.314 -6.711 1.00 42.34 C ATOM 273 O GLY A 19 8.765 -1.027 -7.618 1.00 43.01 O ATOM 0 H GLY A 19 7.200 0.177 -8.981 1.00 73.45 H new ATOM 0 HA2 GLY A 19 8.044 1.767 -7.089 1.00 2.04 H new ATOM 0 HA3 GLY A 19 6.740 1.008 -6.197 1.00 2.04 H new ATOM 277 N THR A 20 8.606 -0.522 -5.431 1.00 51.13 N ATOM 278 CA THR A 20 9.497 -1.583 -4.992 1.00 42.21 C ATOM 279 C THR A 20 8.884 -2.966 -5.227 1.00 45.34 C ATOM 280 O THR A 20 9.596 -3.934 -5.488 1.00 44.25 O ATOM 281 CB THR A 20 9.826 -1.413 -3.505 1.00 52.53 C ATOM 282 OG1 THR A 20 9.878 -0.016 -3.193 1.00 75.03 O ATOM 283 CG2 THR A 20 11.161 -2.057 -3.168 1.00 12.24 C ATOM 0 H THR A 20 8.216 0.037 -4.672 1.00 51.13 H new ATOM 0 HA THR A 20 10.411 -1.512 -5.581 1.00 42.21 H new ATOM 0 HB THR A 20 9.050 -1.902 -2.916 1.00 52.53 H new ATOM 0 HG1 THR A 20 9.230 0.186 -2.486 1.00 75.03 H new ATOM 0 HG21 THR A 20 11.372 -1.923 -2.107 1.00 12.24 H new ATOM 0 HG22 THR A 20 11.120 -3.122 -3.398 1.00 12.24 H new ATOM 0 HG23 THR A 20 11.950 -1.589 -3.757 1.00 12.24 H new ATOM 291 N ASN A 21 7.562 -3.051 -5.135 1.00 73.15 N ATOM 292 CA ASN A 21 6.850 -4.306 -5.367 1.00 63.23 C ATOM 293 C ASN A 21 5.667 -4.051 -6.288 1.00 20.31 C ATOM 294 O ASN A 21 4.813 -3.211 -5.995 1.00 71.45 O ATOM 295 CB ASN A 21 6.380 -4.918 -4.039 1.00 24.05 C ATOM 296 CG ASN A 21 5.827 -6.328 -4.184 1.00 63.32 C ATOM 297 OD1 ASN A 21 5.207 -6.684 -5.191 1.00 25.11 O ATOM 298 ND2 ASN A 21 6.056 -7.150 -3.172 1.00 13.44 N ATOM 0 H ASN A 21 6.958 -2.263 -4.901 1.00 73.15 H new ATOM 0 HA ASN A 21 7.526 -5.018 -5.840 1.00 63.23 H new ATOM 0 HB2 ASN A 21 7.216 -4.934 -3.339 1.00 24.05 H new ATOM 0 HB3 ASN A 21 5.612 -4.278 -3.604 1.00 24.05 H new ATOM 0 HD21 ASN A 21 5.717 -8.111 -3.209 1.00 13.44 H new ATOM 0 HD22 ASN A 21 6.572 -6.822 -2.355 1.00 13.44 H new ATOM 305 N TYR A 22 5.626 -4.770 -7.400 1.00 30.25 N ATOM 306 CA TYR A 22 4.647 -4.502 -8.444 1.00 32.13 C ATOM 307 C TYR A 22 3.902 -5.763 -8.895 1.00 40.40 C ATOM 308 O TYR A 22 3.169 -5.725 -9.879 1.00 62.32 O ATOM 309 CB TYR A 22 5.335 -3.836 -9.647 1.00 71.23 C ATOM 310 CG TYR A 22 6.646 -4.486 -10.038 1.00 34.40 C ATOM 311 CD1 TYR A 22 6.687 -5.536 -10.947 1.00 60.24 C ATOM 312 CD2 TYR A 22 7.844 -4.047 -9.489 1.00 62.42 C ATOM 313 CE1 TYR A 22 7.884 -6.133 -11.291 1.00 74.12 C ATOM 314 CE2 TYR A 22 9.044 -4.638 -9.831 1.00 4.54 C ATOM 315 CZ TYR A 22 9.058 -5.677 -10.732 1.00 75.34 C ATOM 316 OH TYR A 22 10.251 -6.276 -11.060 1.00 21.23 O ATOM 0 H TYR A 22 6.259 -5.544 -7.603 1.00 30.25 H new ATOM 0 HA TYR A 22 3.902 -3.828 -8.021 1.00 32.13 H new ATOM 0 HB2 TYR A 22 4.658 -3.862 -10.501 1.00 71.23 H new ATOM 0 HB3 TYR A 22 5.515 -2.786 -9.415 1.00 71.23 H new ATOM 0 HD1 TYR A 22 5.769 -5.891 -11.391 1.00 60.24 H new ATOM 0 HD2 TYR A 22 7.837 -3.230 -8.783 1.00 62.42 H new ATOM 0 HE1 TYR A 22 7.900 -6.953 -11.994 1.00 74.12 H new ATOM 0 HE2 TYR A 22 9.967 -4.286 -9.393 1.00 4.54 H new ATOM 0 HH TYR A 22 10.982 -5.834 -10.580 1.00 21.23 H new ATOM 326 N ARG A 23 4.084 -6.879 -8.200 1.00 32.13 N ATOM 327 CA ARG A 23 3.488 -8.131 -8.667 1.00 72.51 C ATOM 328 C ARG A 23 2.450 -8.710 -7.695 1.00 14.31 C ATOM 329 O ARG A 23 1.720 -9.636 -8.055 1.00 34.44 O ATOM 330 CB ARG A 23 4.577 -9.175 -8.909 1.00 34.24 C ATOM 331 CG ARG A 23 4.209 -10.193 -9.978 1.00 34.23 C ATOM 332 CD ARG A 23 4.955 -11.506 -9.793 1.00 42.21 C ATOM 333 NE ARG A 23 4.383 -12.301 -8.707 1.00 44.12 N ATOM 334 CZ ARG A 23 5.101 -13.030 -7.850 1.00 43.40 C ATOM 335 NH1 ARG A 23 6.423 -13.094 -7.970 1.00 21.34 N ATOM 336 NH2 ARG A 23 4.494 -13.710 -6.886 1.00 54.42 N ATOM 0 H ARG A 23 4.622 -6.948 -7.336 1.00 32.13 H new ATOM 0 HA ARG A 23 2.969 -7.892 -9.595 1.00 72.51 H new ATOM 0 HB2 ARG A 23 5.497 -8.669 -9.201 1.00 34.24 H new ATOM 0 HB3 ARG A 23 4.783 -9.698 -7.975 1.00 34.24 H new ATOM 0 HG2 ARG A 23 3.135 -10.378 -9.948 1.00 34.23 H new ATOM 0 HG3 ARG A 23 4.435 -9.783 -10.962 1.00 34.23 H new ATOM 0 HD2 ARG A 23 4.922 -12.078 -10.720 1.00 42.21 H new ATOM 0 HD3 ARG A 23 6.005 -11.302 -9.582 1.00 42.21 H new ATOM 0 HE ARG A 23 3.369 -12.298 -8.597 1.00 44.12 H new ATOM 0 HH11 ARG A 23 6.892 -12.585 -8.719 1.00 21.34 H new ATOM 0 HH12 ARG A 23 6.968 -13.652 -7.313 1.00 21.34 H new ATOM 0 HH21 ARG A 23 3.478 -13.676 -6.800 1.00 54.42 H new ATOM 0 HH22 ARG A 23 5.043 -14.267 -6.231 1.00 54.42 H new ATOM 350 N ILE A 24 2.371 -8.173 -6.481 1.00 62.34 N ATOM 351 CA ILE A 24 1.605 -8.830 -5.419 1.00 63.54 C ATOM 352 C ILE A 24 0.090 -8.863 -5.659 1.00 74.03 C ATOM 353 O ILE A 24 -0.494 -9.944 -5.670 1.00 41.01 O ATOM 354 CB ILE A 24 1.904 -8.243 -4.020 1.00 15.44 C ATOM 355 CG1 ILE A 24 2.000 -6.715 -4.066 1.00 72.43 C ATOM 356 CG2 ILE A 24 3.183 -8.854 -3.458 1.00 50.15 C ATOM 357 CD1 ILE A 24 2.249 -6.074 -2.716 1.00 21.12 C ATOM 0 H ILE A 24 2.819 -7.299 -6.207 1.00 62.34 H new ATOM 0 HA ILE A 24 1.952 -9.863 -5.449 1.00 63.54 H new ATOM 0 HB ILE A 24 1.076 -8.497 -3.358 1.00 15.44 H new ATOM 0 HG12 ILE A 24 2.804 -6.432 -4.745 1.00 72.43 H new ATOM 0 HG13 ILE A 24 1.075 -6.315 -4.482 1.00 72.43 H new ATOM 0 HG21 ILE A 24 3.384 -8.434 -2.473 1.00 50.15 H new ATOM 0 HG22 ILE A 24 3.064 -9.934 -3.374 1.00 50.15 H new ATOM 0 HG23 ILE A 24 4.016 -8.631 -4.125 1.00 50.15 H new ATOM 0 HD11 ILE A 24 2.304 -4.992 -2.832 1.00 21.12 H new ATOM 0 HD12 ILE A 24 1.433 -6.325 -2.038 1.00 21.12 H new ATOM 0 HD13 ILE A 24 3.189 -6.443 -2.306 1.00 21.12 H new ATOM 369 N ILE A 25 -0.566 -7.721 -5.859 1.00 33.22 N ATOM 370 CA ILE A 25 -2.021 -7.744 -6.013 1.00 44.15 C ATOM 371 C ILE A 25 -2.445 -7.377 -7.440 1.00 24.00 C ATOM 372 O ILE A 25 -3.028 -8.203 -8.148 1.00 34.43 O ATOM 373 CB ILE A 25 -2.761 -6.856 -4.971 1.00 24.15 C ATOM 374 CG1 ILE A 25 -2.676 -7.473 -3.569 1.00 30.03 C ATOM 375 CG2 ILE A 25 -4.222 -6.664 -5.361 1.00 54.23 C ATOM 376 CD1 ILE A 25 -1.352 -7.253 -2.868 1.00 50.23 C ATOM 0 H ILE A 25 -0.134 -6.799 -5.917 1.00 33.22 H new ATOM 0 HA ILE A 25 -2.323 -8.773 -5.819 1.00 44.15 H new ATOM 0 HB ILE A 25 -2.270 -5.883 -4.958 1.00 24.15 H new ATOM 0 HG12 ILE A 25 -3.473 -7.056 -2.953 1.00 30.03 H new ATOM 0 HG13 ILE A 25 -2.859 -8.545 -3.645 1.00 30.03 H new ATOM 0 HG21 ILE A 25 -4.718 -6.040 -4.618 1.00 54.23 H new ATOM 0 HG22 ILE A 25 -4.278 -6.180 -6.336 1.00 54.23 H new ATOM 0 HG23 ILE A 25 -4.716 -7.634 -5.409 1.00 54.23 H new ATOM 0 HD11 ILE A 25 -1.379 -7.722 -1.884 1.00 50.23 H new ATOM 0 HD12 ILE A 25 -0.550 -7.695 -3.459 1.00 50.23 H new ATOM 0 HD13 ILE A 25 -1.173 -6.184 -2.756 1.00 50.23 H new ATOM 388 N GLY A 26 -2.155 -6.154 -7.866 1.00 52.45 N ATOM 389 CA GLY A 26 -2.484 -5.756 -9.222 1.00 15.34 C ATOM 390 C GLY A 26 -3.643 -4.781 -9.287 1.00 20.24 C ATOM 391 O GLY A 26 -3.887 -4.020 -8.346 1.00 4.13 O ATOM 0 H GLY A 26 -1.701 -5.435 -7.302 1.00 52.45 H new ATOM 0 HA2 GLY A 26 -1.608 -5.302 -9.685 1.00 15.34 H new ATOM 0 HA3 GLY A 26 -2.729 -6.643 -9.806 1.00 15.34 H new ATOM 395 N ALA A 27 -4.369 -4.812 -10.393 1.00 55.14 N ATOM 396 CA ALA A 27 -5.449 -3.868 -10.627 1.00 22.01 C ATOM 397 C ALA A 27 -6.808 -4.561 -10.590 1.00 44.13 C ATOM 398 O ALA A 27 -7.234 -5.169 -11.574 1.00 31.40 O ATOM 399 CB ALA A 27 -5.248 -3.164 -11.961 1.00 54.12 C ATOM 0 H ALA A 27 -4.228 -5.485 -11.147 1.00 55.14 H new ATOM 0 HA ALA A 27 -5.431 -3.127 -9.828 1.00 22.01 H new ATOM 0 HB1 ALA A 27 -6.063 -2.459 -12.127 1.00 54.12 H new ATOM 0 HB2 ALA A 27 -4.300 -2.627 -11.950 1.00 54.12 H new ATOM 0 HB3 ALA A 27 -5.238 -3.901 -12.764 1.00 54.12 H new ATOM 405 N LEU A 28 -7.470 -4.480 -9.443 1.00 32.22 N ATOM 406 CA LEU A 28 -8.805 -5.041 -9.276 1.00 13.34 C ATOM 407 C LEU A 28 -9.492 -4.408 -8.071 1.00 4.41 C ATOM 408 O LEU A 28 -9.368 -4.899 -6.949 1.00 43.43 O ATOM 409 CB LEU A 28 -8.752 -6.567 -9.114 1.00 3.20 C ATOM 410 CG LEU A 28 -10.116 -7.262 -9.046 1.00 23.32 C ATOM 411 CD1 LEU A 28 -10.905 -7.028 -10.329 1.00 71.53 C ATOM 412 CD2 LEU A 28 -9.938 -8.751 -8.783 1.00 71.00 C ATOM 0 H LEU A 28 -7.100 -4.027 -8.607 1.00 32.22 H new ATOM 0 HA LEU A 28 -9.380 -4.818 -10.175 1.00 13.34 H new ATOM 0 HB2 LEU A 28 -8.190 -6.986 -9.948 1.00 3.20 H new ATOM 0 HB3 LEU A 28 -8.197 -6.801 -8.206 1.00 3.20 H new ATOM 0 HG LEU A 28 -10.683 -6.832 -8.220 1.00 23.32 H new ATOM 0 HD11 LEU A 28 -11.870 -7.530 -10.259 1.00 71.53 H new ATOM 0 HD12 LEU A 28 -11.062 -5.959 -10.470 1.00 71.53 H new ATOM 0 HD13 LEU A 28 -10.348 -7.428 -11.177 1.00 71.53 H new ATOM 0 HD21 LEU A 28 -10.915 -9.232 -8.737 1.00 71.00 H new ATOM 0 HD22 LEU A 28 -9.352 -9.195 -9.588 1.00 71.00 H new ATOM 0 HD23 LEU A 28 -9.419 -8.894 -7.835 1.00 71.00 H new ATOM 424 N PRO A 29 -10.177 -3.273 -8.275 1.00 23.11 N ATOM 425 CA PRO A 29 -10.852 -2.554 -7.204 1.00 52.13 C ATOM 426 C PRO A 29 -12.223 -3.151 -6.906 1.00 42.33 C ATOM 427 O PRO A 29 -13.247 -2.669 -7.391 1.00 23.41 O ATOM 428 CB PRO A 29 -10.984 -1.122 -7.746 1.00 63.42 C ATOM 429 CG PRO A 29 -10.535 -1.162 -9.180 1.00 13.41 C ATOM 430 CD PRO A 29 -10.382 -2.610 -9.565 1.00 10.53 C ATOM 0 HA PRO A 29 -10.303 -2.603 -6.264 1.00 52.13 H new ATOM 0 HB2 PRO A 29 -12.014 -0.773 -7.672 1.00 63.42 H new ATOM 0 HB3 PRO A 29 -10.371 -0.431 -7.167 1.00 63.42 H new ATOM 0 HG2 PRO A 29 -11.263 -0.669 -9.824 1.00 13.41 H new ATOM 0 HG3 PRO A 29 -9.591 -0.631 -9.301 1.00 13.41 H new ATOM 0 HD2 PRO A 29 -11.267 -2.987 -10.077 1.00 10.53 H new ATOM 0 HD3 PRO A 29 -9.537 -2.762 -10.236 1.00 10.53 H new ATOM 438 N GLN A 30 -12.235 -4.219 -6.124 1.00 3.34 N ATOM 439 CA GLN A 30 -13.469 -4.925 -5.821 1.00 40.30 C ATOM 440 C GLN A 30 -13.932 -4.601 -4.408 1.00 35.22 C ATOM 441 O GLN A 30 -15.093 -4.258 -4.188 1.00 60.35 O ATOM 442 CB GLN A 30 -13.255 -6.429 -5.980 1.00 74.13 C ATOM 443 CG GLN A 30 -14.528 -7.249 -5.856 1.00 54.14 C ATOM 444 CD GLN A 30 -14.283 -8.730 -6.058 1.00 63.42 C ATOM 445 OE1 GLN A 30 -14.346 -9.235 -7.181 1.00 2.34 O ATOM 446 NE2 GLN A 30 -14.002 -9.436 -4.975 1.00 52.21 N ATOM 0 H GLN A 30 -11.403 -4.616 -5.687 1.00 3.34 H new ATOM 0 HA GLN A 30 -14.243 -4.602 -6.517 1.00 40.30 H new ATOM 0 HB2 GLN A 30 -12.804 -6.621 -6.954 1.00 74.13 H new ATOM 0 HB3 GLN A 30 -12.543 -6.766 -5.227 1.00 74.13 H new ATOM 0 HG2 GLN A 30 -14.967 -7.087 -4.871 1.00 54.14 H new ATOM 0 HG3 GLN A 30 -15.254 -6.900 -6.590 1.00 54.14 H new ATOM 0 HE21 GLN A 30 -13.960 -8.978 -4.064 1.00 52.21 H new ATOM 0 HE22 GLN A 30 -13.827 -10.438 -5.051 1.00 52.21 H new ATOM 455 N GLY A 31 -13.013 -4.692 -3.457 1.00 31.34 N ATOM 456 CA GLY A 31 -13.343 -4.418 -2.075 1.00 72.31 C ATOM 457 C GLY A 31 -12.235 -3.675 -1.364 1.00 1.35 C ATOM 458 O GLY A 31 -11.201 -4.257 -1.024 1.00 52.33 O ATOM 0 H GLY A 31 -12.040 -4.952 -3.620 1.00 31.34 H new ATOM 0 HA2 GLY A 31 -14.260 -3.830 -2.031 1.00 72.31 H new ATOM 0 HA3 GLY A 31 -13.541 -5.356 -1.557 1.00 72.31 H new ATOM 462 N GLN A 32 -12.440 -2.385 -1.147 1.00 13.32 N ATOM 463 CA GLN A 32 -11.438 -1.563 -0.492 1.00 35.04 C ATOM 464 C GLN A 32 -11.711 -1.492 1.006 1.00 62.01 C ATOM 465 O GLN A 32 -12.559 -0.726 1.461 1.00 5.10 O ATOM 466 CB GLN A 32 -11.411 -0.152 -1.098 1.00 33.14 C ATOM 467 CG GLN A 32 -10.084 0.586 -0.920 1.00 4.31 C ATOM 468 CD GLN A 32 -9.665 0.748 0.531 1.00 22.04 C ATOM 469 OE1 GLN A 32 -8.965 -0.106 1.087 1.00 22.21 O ATOM 470 NE2 GLN A 32 -10.089 1.836 1.156 1.00 2.25 N ATOM 0 H GLN A 32 -13.289 -1.887 -1.415 1.00 13.32 H new ATOM 0 HA GLN A 32 -10.461 -2.021 -0.649 1.00 35.04 H new ATOM 0 HB2 GLN A 32 -11.634 -0.223 -2.163 1.00 33.14 H new ATOM 0 HB3 GLN A 32 -12.206 0.440 -0.645 1.00 33.14 H new ATOM 0 HG2 GLN A 32 -9.303 0.046 -1.456 1.00 4.31 H new ATOM 0 HG3 GLN A 32 -10.162 1.572 -1.379 1.00 4.31 H new ATOM 0 HE21 GLN A 32 -10.665 2.517 0.661 1.00 2.25 H new ATOM 0 HE22 GLN A 32 -9.839 1.993 2.132 1.00 2.25 H new ATOM 479 N LYS A 33 -11.000 -2.311 1.759 1.00 5.10 N ATOM 480 CA LYS A 33 -11.066 -2.272 3.209 1.00 12.30 C ATOM 481 C LYS A 33 -9.713 -2.701 3.780 1.00 13.44 C ATOM 482 O LYS A 33 -9.630 -3.461 4.746 1.00 23.03 O ATOM 483 CB LYS A 33 -12.195 -3.181 3.714 1.00 3.54 C ATOM 484 CG LYS A 33 -12.498 -3.004 5.193 1.00 12.21 C ATOM 485 CD LYS A 33 -13.613 -3.924 5.663 1.00 35.00 C ATOM 486 CE LYS A 33 -13.854 -3.770 7.156 1.00 1.53 C ATOM 487 NZ LYS A 33 -12.643 -4.103 7.951 1.00 42.43 N ATOM 0 H LYS A 33 -10.365 -3.017 1.387 1.00 5.10 H new ATOM 0 HA LYS A 33 -11.285 -1.258 3.543 1.00 12.30 H new ATOM 0 HB2 LYS A 33 -13.099 -2.979 3.139 1.00 3.54 H new ATOM 0 HB3 LYS A 33 -11.925 -4.221 3.528 1.00 3.54 H new ATOM 0 HG2 LYS A 33 -11.597 -3.202 5.773 1.00 12.21 H new ATOM 0 HG3 LYS A 33 -12.779 -1.968 5.384 1.00 12.21 H new ATOM 0 HD2 LYS A 33 -14.530 -3.698 5.118 1.00 35.00 H new ATOM 0 HD3 LYS A 33 -13.355 -4.959 5.438 1.00 35.00 H new ATOM 0 HE2 LYS A 33 -14.159 -2.746 7.371 1.00 1.53 H new ATOM 0 HE3 LYS A 33 -14.677 -4.417 7.459 1.00 1.53 H new ATOM 0 HZ1 LYS A 33 -12.913 -4.267 8.942 1.00 42.43 H new ATOM 0 HZ2 LYS A 33 -12.200 -4.961 7.566 1.00 42.43 H new ATOM 0 HZ3 LYS A 33 -11.968 -3.313 7.902 1.00 42.43 H new ATOM 501 N VAL A 34 -8.646 -2.201 3.171 1.00 64.00 N ATOM 502 CA VAL A 34 -7.302 -2.586 3.572 1.00 22.13 C ATOM 503 C VAL A 34 -6.459 -1.371 3.962 1.00 75.42 C ATOM 504 O VAL A 34 -5.802 -1.371 5.003 1.00 41.54 O ATOM 505 CB VAL A 34 -6.595 -3.403 2.462 1.00 33.32 C ATOM 506 CG1 VAL A 34 -6.585 -2.642 1.141 1.00 63.34 C ATOM 507 CG2 VAL A 34 -5.181 -3.774 2.885 1.00 34.01 C ATOM 0 H VAL A 34 -8.685 -1.532 2.402 1.00 64.00 H new ATOM 0 HA VAL A 34 -7.402 -3.221 4.452 1.00 22.13 H new ATOM 0 HB VAL A 34 -7.159 -4.324 2.311 1.00 33.32 H new ATOM 0 HG11 VAL A 34 -6.082 -3.240 0.381 1.00 63.34 H new ATOM 0 HG12 VAL A 34 -7.610 -2.443 0.828 1.00 63.34 H new ATOM 0 HG13 VAL A 34 -6.055 -1.698 1.269 1.00 63.34 H new ATOM 0 HG21 VAL A 34 -4.702 -4.347 2.091 1.00 34.01 H new ATOM 0 HG22 VAL A 34 -4.608 -2.866 3.073 1.00 34.01 H new ATOM 0 HG23 VAL A 34 -5.219 -4.374 3.794 1.00 34.01 H new ATOM 517 N GLN A 35 -6.485 -0.325 3.145 1.00 43.34 N ATOM 518 CA GLN A 35 -5.711 0.869 3.444 1.00 4.25 C ATOM 519 C GLN A 35 -6.467 1.770 4.402 1.00 13.54 C ATOM 520 O GLN A 35 -7.079 2.761 4.005 1.00 12.23 O ATOM 521 CB GLN A 35 -5.311 1.631 2.176 1.00 13.51 C ATOM 522 CG GLN A 35 -6.228 1.397 0.991 1.00 25.01 C ATOM 523 CD GLN A 35 -5.824 2.197 -0.232 1.00 33.00 C ATOM 524 OE1 GLN A 35 -6.658 2.518 -1.080 1.00 2.14 O ATOM 525 NE2 GLN A 35 -4.547 2.535 -0.331 1.00 45.14 N ATOM 0 H GLN A 35 -7.027 -0.280 2.282 1.00 43.34 H new ATOM 0 HA GLN A 35 -4.788 0.545 3.925 1.00 4.25 H new ATOM 0 HB2 GLN A 35 -5.290 2.698 2.399 1.00 13.51 H new ATOM 0 HB3 GLN A 35 -4.297 1.343 1.898 1.00 13.51 H new ATOM 0 HG2 GLN A 35 -6.228 0.336 0.742 1.00 25.01 H new ATOM 0 HG3 GLN A 35 -7.249 1.659 1.270 1.00 25.01 H new ATOM 0 HE21 GLN A 35 -3.887 2.250 0.392 1.00 45.14 H new ATOM 0 HE22 GLN A 35 -4.224 3.080 -1.130 1.00 45.14 H new ATOM 534 N VAL A 36 -6.457 1.372 5.659 1.00 32.05 N ATOM 535 CA VAL A 36 -7.050 2.158 6.723 1.00 64.41 C ATOM 536 C VAL A 36 -6.031 2.327 7.849 1.00 34.22 C ATOM 537 O VAL A 36 -6.312 2.928 8.888 1.00 44.30 O ATOM 538 CB VAL A 36 -8.345 1.481 7.250 1.00 63.42 C ATOM 539 CG1 VAL A 36 -8.026 0.178 7.975 1.00 5.32 C ATOM 540 CG2 VAL A 36 -9.145 2.423 8.144 1.00 55.33 C ATOM 0 H VAL A 36 -6.038 0.496 5.971 1.00 32.05 H new ATOM 0 HA VAL A 36 -7.324 3.139 6.336 1.00 64.41 H new ATOM 0 HB VAL A 36 -8.965 1.243 6.386 1.00 63.42 H new ATOM 0 HG11 VAL A 36 -8.950 -0.275 8.333 1.00 5.32 H new ATOM 0 HG12 VAL A 36 -7.528 -0.508 7.289 1.00 5.32 H new ATOM 0 HG13 VAL A 36 -7.371 0.384 8.821 1.00 5.32 H new ATOM 0 HG21 VAL A 36 -10.044 1.916 8.494 1.00 55.33 H new ATOM 0 HG22 VAL A 36 -8.537 2.716 9.000 1.00 55.33 H new ATOM 0 HG23 VAL A 36 -9.426 3.311 7.578 1.00 55.33 H new ATOM 550 N ILE A 37 -4.827 1.809 7.623 1.00 42.53 N ATOM 551 CA ILE A 37 -3.782 1.855 8.632 1.00 0.43 C ATOM 552 C ILE A 37 -3.163 3.246 8.701 1.00 23.12 C ATOM 553 O ILE A 37 -3.205 3.893 9.749 1.00 1.21 O ATOM 554 CB ILE A 37 -2.682 0.811 8.348 1.00 31.02 C ATOM 555 CG1 ILE A 37 -3.297 -0.584 8.231 1.00 21.33 C ATOM 556 CG2 ILE A 37 -1.626 0.831 9.444 1.00 40.22 C ATOM 557 CD1 ILE A 37 -2.745 -1.402 7.084 1.00 72.02 C ATOM 0 H ILE A 37 -4.555 1.354 6.751 1.00 42.53 H new ATOM 0 HA ILE A 37 -4.243 1.620 9.591 1.00 0.43 H new ATOM 0 HB ILE A 37 -2.201 1.065 7.403 1.00 31.02 H new ATOM 0 HG12 ILE A 37 -3.130 -1.124 9.163 1.00 21.33 H new ATOM 0 HG13 ILE A 37 -4.376 -0.486 8.109 1.00 21.33 H new ATOM 0 HG21 ILE A 37 -0.860 0.088 9.225 1.00 40.22 H new ATOM 0 HG22 ILE A 37 -1.169 1.820 9.491 1.00 40.22 H new ATOM 0 HG23 ILE A 37 -2.092 0.600 10.402 1.00 40.22 H new ATOM 0 HD11 ILE A 37 -3.230 -2.378 7.067 1.00 72.02 H new ATOM 0 HD12 ILE A 37 -2.936 -0.885 6.144 1.00 72.02 H new ATOM 0 HD13 ILE A 37 -1.671 -1.533 7.214 1.00 72.02 H new ATOM 569 N SER A 38 -2.632 3.717 7.575 1.00 21.21 N ATOM 570 CA SER A 38 -2.067 5.057 7.494 1.00 42.23 C ATOM 571 C SER A 38 -1.557 5.367 6.097 1.00 34.32 C ATOM 572 O SER A 38 -1.137 4.478 5.353 1.00 30.22 O ATOM 573 CB SER A 38 -0.933 5.234 8.512 1.00 33.00 C ATOM 574 OG SER A 38 -0.005 4.161 8.454 1.00 24.44 O ATOM 0 H SER A 38 -2.582 3.187 6.705 1.00 21.21 H new ATOM 0 HA SER A 38 -2.869 5.758 7.728 1.00 42.23 H new ATOM 0 HB2 SER A 38 -0.415 6.174 8.321 1.00 33.00 H new ATOM 0 HB3 SER A 38 -1.352 5.299 9.516 1.00 33.00 H new ATOM 0 HG SER A 38 0.705 4.306 9.114 1.00 24.44 H new ATOM 580 N GLU A 39 -1.613 6.639 5.753 1.00 20.11 N ATOM 581 CA GLU A 39 -1.093 7.116 4.492 1.00 52.33 C ATOM 582 C GLU A 39 0.113 7.998 4.769 1.00 71.41 C ATOM 583 O GLU A 39 0.031 8.927 5.571 1.00 13.42 O ATOM 584 CB GLU A 39 -2.152 7.917 3.724 1.00 71.53 C ATOM 585 CG GLU A 39 -3.506 7.227 3.582 1.00 62.52 C ATOM 586 CD GLU A 39 -4.364 7.341 4.829 1.00 60.15 C ATOM 587 OE1 GLU A 39 -4.795 8.468 5.159 1.00 34.53 O ATOM 588 OE2 GLU A 39 -4.612 6.311 5.487 1.00 32.21 O ATOM 0 H GLU A 39 -2.020 7.367 6.340 1.00 20.11 H new ATOM 0 HA GLU A 39 -0.809 6.261 3.879 1.00 52.33 H new ATOM 0 HB2 GLU A 39 -2.299 8.872 4.228 1.00 71.53 H new ATOM 0 HB3 GLU A 39 -1.767 8.138 2.728 1.00 71.53 H new ATOM 0 HG2 GLU A 39 -4.042 7.661 2.738 1.00 62.52 H new ATOM 0 HG3 GLU A 39 -3.348 6.173 3.351 1.00 62.52 H new ATOM 595 N ASN A 40 1.232 7.712 4.131 1.00 54.21 N ATOM 596 CA ASN A 40 2.444 8.469 4.391 1.00 75.25 C ATOM 597 C ASN A 40 2.694 9.480 3.288 1.00 24.44 C ATOM 598 O ASN A 40 2.014 9.480 2.261 1.00 65.42 O ATOM 599 CB ASN A 40 3.654 7.544 4.533 1.00 34.20 C ATOM 600 CG ASN A 40 3.518 6.552 5.679 1.00 41.15 C ATOM 601 OD1 ASN A 40 3.986 5.416 5.590 1.00 41.32 O ATOM 602 ND2 ASN A 40 2.886 6.973 6.768 1.00 34.13 N ATOM 0 H ASN A 40 1.328 6.971 3.437 1.00 54.21 H new ATOM 0 HA ASN A 40 2.304 9.001 5.332 1.00 75.25 H new ATOM 0 HB2 ASN A 40 3.796 6.996 3.601 1.00 34.20 H new ATOM 0 HB3 ASN A 40 4.549 8.147 4.687 1.00 34.20 H new ATOM 0 HD21 ASN A 40 2.775 6.349 7.567 1.00 34.13 H new ATOM 0 HD22 ASN A 40 2.511 7.921 6.806 1.00 34.13 H new ATOM 609 N SER A 41 3.672 10.338 3.517 1.00 34.10 N ATOM 610 CA SER A 41 4.030 11.385 2.575 1.00 12.02 C ATOM 611 C SER A 41 4.558 10.785 1.269 1.00 34.34 C ATOM 612 O SER A 41 4.532 11.431 0.218 1.00 33.20 O ATOM 613 CB SER A 41 5.085 12.287 3.220 1.00 23.43 C ATOM 614 OG SER A 41 5.171 13.550 2.578 1.00 24.05 O ATOM 0 H SER A 41 4.242 10.329 4.363 1.00 34.10 H new ATOM 0 HA SER A 41 3.145 11.973 2.332 1.00 12.02 H new ATOM 0 HB2 SER A 41 4.843 12.432 4.273 1.00 23.43 H new ATOM 0 HB3 SER A 41 6.056 11.794 3.181 1.00 23.43 H new ATOM 0 HG SER A 41 5.854 14.096 3.020 1.00 24.05 H new ATOM 620 N GLY A 42 5.034 9.546 1.344 1.00 41.44 N ATOM 621 CA GLY A 42 5.537 8.869 0.168 1.00 1.32 C ATOM 622 C GLY A 42 4.548 7.856 -0.369 1.00 24.51 C ATOM 623 O GLY A 42 3.909 8.083 -1.400 1.00 11.25 O ATOM 0 H GLY A 42 5.079 8.999 2.204 1.00 41.44 H new ATOM 0 HA2 GLY A 42 5.760 9.604 -0.606 1.00 1.32 H new ATOM 0 HA3 GLY A 42 6.474 8.368 0.411 1.00 1.32 H new ATOM 627 N TRP A 43 4.422 6.738 0.333 1.00 73.02 N ATOM 628 CA TRP A 43 3.500 5.683 -0.060 1.00 60.21 C ATOM 629 C TRP A 43 2.429 5.475 1.002 1.00 41.42 C ATOM 630 O TRP A 43 2.585 5.884 2.152 1.00 31.21 O ATOM 631 CB TRP A 43 4.216 4.351 -0.276 1.00 44.42 C ATOM 632 CG TRP A 43 5.286 4.354 -1.323 1.00 4.23 C ATOM 633 CD1 TRP A 43 5.297 5.011 -2.520 1.00 63.11 C ATOM 634 CD2 TRP A 43 6.499 3.612 -1.260 1.00 24.35 C ATOM 635 NE1 TRP A 43 6.461 4.724 -3.198 1.00 11.25 N ATOM 636 CE2 TRP A 43 7.217 3.865 -2.440 1.00 62.21 C ATOM 637 CE3 TRP A 43 7.038 2.761 -0.305 1.00 33.25 C ATOM 638 CZ2 TRP A 43 8.461 3.287 -2.688 1.00 23.21 C ATOM 639 CZ3 TRP A 43 8.270 2.188 -0.544 1.00 61.11 C ATOM 640 CH2 TRP A 43 8.970 2.453 -1.730 1.00 31.42 C ATOM 0 H TRP A 43 4.950 6.538 1.182 1.00 73.02 H new ATOM 0 HA TRP A 43 3.047 6.005 -0.998 1.00 60.21 H new ATOM 0 HB2 TRP A 43 4.659 4.040 0.670 1.00 44.42 H new ATOM 0 HB3 TRP A 43 3.474 3.599 -0.543 1.00 44.42 H new ATOM 0 HD1 TRP A 43 4.511 5.658 -2.881 1.00 63.11 H new ATOM 0 HE1 TRP A 43 6.719 5.090 -4.114 1.00 11.25 H new ATOM 0 HE3 TRP A 43 6.502 2.551 0.609 1.00 33.25 H new ATOM 0 HZ2 TRP A 43 9.002 3.490 -3.601 1.00 23.21 H new ATOM 0 HZ3 TRP A 43 8.701 1.526 0.192 1.00 61.11 H new ATOM 0 HH2 TRP A 43 9.932 1.989 -1.891 1.00 31.42 H new ATOM 651 N SER A 44 1.353 4.831 0.608 1.00 24.32 N ATOM 652 CA SER A 44 0.294 4.468 1.534 1.00 41.01 C ATOM 653 C SER A 44 0.615 3.109 2.148 1.00 64.24 C ATOM 654 O SER A 44 0.889 2.144 1.428 1.00 2.04 O ATOM 655 CB SER A 44 -1.057 4.431 0.813 1.00 34.35 C ATOM 656 OG SER A 44 -2.120 4.140 1.704 1.00 13.42 O ATOM 0 H SER A 44 1.184 4.544 -0.356 1.00 24.32 H new ATOM 0 HA SER A 44 0.230 5.214 2.326 1.00 41.01 H new ATOM 0 HB2 SER A 44 -1.239 5.392 0.332 1.00 34.35 H new ATOM 0 HB3 SER A 44 -1.028 3.680 0.024 1.00 34.35 H new ATOM 0 HG SER A 44 -2.966 4.126 1.210 1.00 13.42 H new ATOM 662 N LYS A 45 0.611 3.043 3.473 1.00 12.43 N ATOM 663 CA LYS A 45 0.983 1.845 4.182 1.00 41.11 C ATOM 664 C LYS A 45 -0.190 0.885 4.299 1.00 64.21 C ATOM 665 O LYS A 45 -1.245 1.229 4.841 1.00 34.52 O ATOM 666 CB LYS A 45 1.479 2.248 5.553 1.00 63.04 C ATOM 667 CG LYS A 45 1.957 1.101 6.401 1.00 24.24 C ATOM 668 CD LYS A 45 2.608 1.636 7.645 1.00 2.42 C ATOM 669 CE LYS A 45 3.828 2.475 7.298 1.00 0.40 C ATOM 670 NZ LYS A 45 4.385 3.176 8.483 1.00 53.41 N ATOM 0 H LYS A 45 0.349 3.822 4.077 1.00 12.43 H new ATOM 0 HA LYS A 45 1.767 1.324 3.633 1.00 41.11 H new ATOM 0 HB2 LYS A 45 2.294 2.962 5.436 1.00 63.04 H new ATOM 0 HB3 LYS A 45 0.676 2.764 6.080 1.00 63.04 H new ATOM 0 HG2 LYS A 45 1.119 0.456 6.665 1.00 24.24 H new ATOM 0 HG3 LYS A 45 2.665 0.491 5.841 1.00 24.24 H new ATOM 0 HD2 LYS A 45 1.893 2.240 8.204 1.00 2.42 H new ATOM 0 HD3 LYS A 45 2.902 0.809 8.292 1.00 2.42 H new ATOM 0 HE2 LYS A 45 4.595 1.834 6.864 1.00 0.40 H new ATOM 0 HE3 LYS A 45 3.558 3.209 6.538 1.00 0.40 H new ATOM 0 HZ1 LYS A 45 5.214 3.735 8.198 1.00 53.41 H new ATOM 0 HZ2 LYS A 45 3.663 3.808 8.884 1.00 53.41 H new ATOM 0 HZ3 LYS A 45 4.668 2.477 9.199 1.00 53.41 H new ATOM 684 N ILE A 46 0.008 -0.326 3.804 1.00 53.45 N ATOM 685 CA ILE A 46 -1.047 -1.329 3.788 1.00 0.42 C ATOM 686 C ILE A 46 -0.488 -2.702 4.137 1.00 24.53 C ATOM 687 O ILE A 46 0.706 -2.959 3.983 1.00 61.20 O ATOM 688 CB ILE A 46 -1.758 -1.421 2.410 1.00 30.43 C ATOM 689 CG1 ILE A 46 -0.808 -1.977 1.341 1.00 22.24 C ATOM 690 CG2 ILE A 46 -2.301 -0.061 1.986 1.00 12.51 C ATOM 691 CD1 ILE A 46 -1.418 -2.059 -0.045 1.00 21.23 C ATOM 0 H ILE A 46 0.893 -0.640 3.406 1.00 53.45 H new ATOM 0 HA ILE A 46 -1.778 -1.016 4.534 1.00 0.42 H new ATOM 0 HB ILE A 46 -2.598 -2.108 2.512 1.00 30.43 H new ATOM 0 HG12 ILE A 46 0.082 -1.349 1.298 1.00 22.24 H new ATOM 0 HG13 ILE A 46 -0.481 -2.972 1.642 1.00 22.24 H new ATOM 0 HG21 ILE A 46 -2.794 -0.152 1.018 1.00 12.51 H new ATOM 0 HG22 ILE A 46 -3.018 0.292 2.727 1.00 12.51 H new ATOM 0 HG23 ILE A 46 -1.479 0.651 1.909 1.00 12.51 H new ATOM 0 HD11 ILE A 46 -0.684 -2.462 -0.743 1.00 21.23 H new ATOM 0 HD12 ILE A 46 -2.291 -2.712 -0.020 1.00 21.23 H new ATOM 0 HD13 ILE A 46 -1.719 -1.063 -0.370 1.00 21.23 H new ATOM 703 N ASN A 47 -1.357 -3.576 4.616 1.00 40.02 N ATOM 704 CA ASN A 47 -1.002 -4.960 4.864 1.00 44.50 C ATOM 705 C ASN A 47 -1.986 -5.860 4.145 1.00 73.30 C ATOM 706 O ASN A 47 -3.170 -5.887 4.481 1.00 62.00 O ATOM 707 CB ASN A 47 -1.021 -5.272 6.364 1.00 64.55 C ATOM 708 CG ASN A 47 0.133 -4.645 7.123 1.00 41.31 C ATOM 709 OD1 ASN A 47 1.229 -4.474 6.592 1.00 32.41 O ATOM 710 ND2 ASN A 47 -0.103 -4.303 8.380 1.00 1.32 N ATOM 0 H ASN A 47 -2.325 -3.346 4.843 1.00 40.02 H new ATOM 0 HA ASN A 47 0.008 -5.135 4.493 1.00 44.50 H new ATOM 0 HB2 ASN A 47 -1.961 -4.919 6.789 1.00 64.55 H new ATOM 0 HB3 ASN A 47 -0.994 -6.353 6.503 1.00 64.55 H new ATOM 0 HD21 ASN A 47 0.637 -3.882 8.942 1.00 1.32 H new ATOM 0 HD22 ASN A 47 -1.025 -4.460 8.787 1.00 1.32 H new ATOM 717 N TYR A 48 -1.513 -6.591 3.152 1.00 74.32 N ATOM 718 CA TYR A 48 -2.392 -7.454 2.386 1.00 1.20 C ATOM 719 C TYR A 48 -2.254 -8.897 2.832 1.00 34.54 C ATOM 720 O TYR A 48 -1.482 -9.663 2.261 1.00 44.13 O ATOM 721 CB TYR A 48 -2.132 -7.323 0.882 1.00 41.42 C ATOM 722 CG TYR A 48 -3.251 -6.615 0.150 1.00 42.44 C ATOM 723 CD1 TYR A 48 -3.278 -5.234 0.064 1.00 32.31 C ATOM 724 CD2 TYR A 48 -4.290 -7.330 -0.436 1.00 65.42 C ATOM 725 CE1 TYR A 48 -4.304 -4.580 -0.584 1.00 64.33 C ATOM 726 CE2 TYR A 48 -5.321 -6.680 -1.094 1.00 14.41 C ATOM 727 CZ TYR A 48 -5.324 -5.304 -1.160 1.00 44.30 C ATOM 728 OH TYR A 48 -6.347 -4.646 -1.811 1.00 72.32 O ATOM 0 H TYR A 48 -0.536 -6.605 2.860 1.00 74.32 H new ATOM 0 HA TYR A 48 -3.417 -7.134 2.575 1.00 1.20 H new ATOM 0 HB2 TYR A 48 -1.201 -6.778 0.726 1.00 41.42 H new ATOM 0 HB3 TYR A 48 -1.996 -8.316 0.454 1.00 41.42 H new ATOM 0 HD1 TYR A 48 -2.481 -4.659 0.512 1.00 32.31 H new ATOM 0 HD2 TYR A 48 -4.293 -8.408 -0.377 1.00 65.42 H new ATOM 0 HE1 TYR A 48 -4.308 -3.501 -0.640 1.00 64.33 H new ATOM 0 HE2 TYR A 48 -6.117 -7.248 -1.552 1.00 14.41 H new ATOM 0 HH TYR A 48 -6.986 -5.301 -2.162 1.00 72.32 H new ATOM 738 N ASN A 49 -2.986 -9.232 3.889 1.00 74.13 N ATOM 739 CA ASN A 49 -3.065 -10.597 4.407 1.00 31.45 C ATOM 740 C ASN A 49 -1.708 -11.109 4.887 1.00 63.02 C ATOM 741 O ASN A 49 -1.218 -12.142 4.432 1.00 53.24 O ATOM 742 CB ASN A 49 -3.659 -11.549 3.363 1.00 42.52 C ATOM 743 CG ASN A 49 -5.063 -11.152 2.946 1.00 11.44 C ATOM 744 OD1 ASN A 49 -5.809 -10.542 3.716 1.00 64.11 O ATOM 745 ND2 ASN A 49 -5.432 -11.494 1.723 1.00 23.24 N ATOM 0 H ASN A 49 -3.546 -8.561 4.415 1.00 74.13 H new ATOM 0 HA ASN A 49 -3.729 -10.570 5.271 1.00 31.45 H new ATOM 0 HB2 ASN A 49 -3.014 -11.567 2.484 1.00 42.52 H new ATOM 0 HB3 ASN A 49 -3.676 -12.561 3.767 1.00 42.52 H new ATOM 0 HD21 ASN A 49 -6.364 -11.253 1.385 1.00 23.24 H new ATOM 0 HD22 ASN A 49 -4.785 -11.998 1.117 1.00 23.24 H new ATOM 752 N GLY A 50 -1.100 -10.372 5.805 1.00 31.01 N ATOM 753 CA GLY A 50 0.116 -10.834 6.454 1.00 10.41 C ATOM 754 C GLY A 50 1.394 -10.332 5.808 1.00 2.23 C ATOM 755 O GLY A 50 2.453 -10.344 6.438 1.00 42.22 O ATOM 0 H GLY A 50 -1.427 -9.457 6.115 1.00 31.01 H new ATOM 0 HA2 GLY A 50 0.101 -10.518 7.497 1.00 10.41 H new ATOM 0 HA3 GLY A 50 0.124 -11.924 6.451 1.00 10.41 H new ATOM 759 N GLN A 51 1.318 -9.879 4.565 1.00 52.34 N ATOM 760 CA GLN A 51 2.484 -9.289 3.928 1.00 22.41 C ATOM 761 C GLN A 51 2.312 -7.787 3.791 1.00 4.21 C ATOM 762 O GLN A 51 1.289 -7.305 3.302 1.00 12.03 O ATOM 763 CB GLN A 51 2.804 -9.926 2.567 1.00 50.42 C ATOM 764 CG GLN A 51 1.594 -10.243 1.705 1.00 62.21 C ATOM 765 CD GLN A 51 1.143 -11.685 1.841 1.00 44.24 C ATOM 766 OE1 GLN A 51 1.950 -12.578 2.100 1.00 43.31 O ATOM 767 NE2 GLN A 51 -0.144 -11.925 1.667 1.00 13.01 N ATOM 0 H GLN A 51 0.478 -9.908 3.987 1.00 52.34 H new ATOM 0 HA GLN A 51 3.336 -9.493 4.576 1.00 22.41 H new ATOM 0 HB2 GLN A 51 3.459 -9.254 2.013 1.00 50.42 H new ATOM 0 HB3 GLN A 51 3.362 -10.847 2.736 1.00 50.42 H new ATOM 0 HG2 GLN A 51 0.773 -9.582 1.981 1.00 62.21 H new ATOM 0 HG3 GLN A 51 1.832 -10.037 0.661 1.00 62.21 H new ATOM 0 HE21 GLN A 51 -0.782 -11.158 1.454 1.00 13.01 H new ATOM 0 HE22 GLN A 51 -0.500 -12.877 1.746 1.00 13.01 H new ATOM 776 N THR A 52 3.316 -7.062 4.252 1.00 11.03 N ATOM 777 CA THR A 52 3.297 -5.613 4.220 1.00 33.15 C ATOM 778 C THR A 52 3.498 -5.106 2.797 1.00 12.51 C ATOM 779 O THR A 52 4.386 -5.578 2.083 1.00 24.03 O ATOM 780 CB THR A 52 4.400 -5.030 5.126 1.00 72.33 C ATOM 781 OG1 THR A 52 4.363 -5.659 6.418 1.00 22.34 O ATOM 782 CG2 THR A 52 4.232 -3.525 5.291 1.00 74.44 C ATOM 0 H THR A 52 4.163 -7.460 4.657 1.00 11.03 H new ATOM 0 HA THR A 52 2.324 -5.286 4.587 1.00 33.15 H new ATOM 0 HB THR A 52 5.362 -5.225 4.652 1.00 72.33 H new ATOM 0 HG1 THR A 52 5.068 -5.283 6.985 1.00 22.34 H new ATOM 0 HG21 THR A 52 5.023 -3.139 5.934 1.00 74.44 H new ATOM 0 HG22 THR A 52 4.291 -3.043 4.315 1.00 74.44 H new ATOM 0 HG23 THR A 52 3.262 -3.314 5.742 1.00 74.44 H new ATOM 790 N GLY A 53 2.674 -4.155 2.391 1.00 52.20 N ATOM 791 CA GLY A 53 2.789 -3.593 1.067 1.00 32.14 C ATOM 792 C GLY A 53 2.744 -2.082 1.096 1.00 32.44 C ATOM 793 O GLY A 53 2.263 -1.488 2.061 1.00 52.41 O ATOM 0 H GLY A 53 1.924 -3.761 2.959 1.00 52.20 H new ATOM 0 HA2 GLY A 53 3.724 -3.921 0.612 1.00 32.14 H new ATOM 0 HA3 GLY A 53 1.981 -3.969 0.440 1.00 32.14 H new ATOM 797 N TYR A 54 3.255 -1.456 0.051 1.00 12.41 N ATOM 798 CA TYR A 54 3.215 -0.008 -0.063 1.00 10.33 C ATOM 799 C TYR A 54 2.869 0.382 -1.491 1.00 74.12 C ATOM 800 O TYR A 54 3.348 -0.241 -2.439 1.00 74.40 O ATOM 801 CB TYR A 54 4.561 0.612 0.319 1.00 51.40 C ATOM 802 CG TYR A 54 5.032 0.281 1.717 1.00 60.44 C ATOM 803 CD1 TYR A 54 4.508 0.937 2.823 1.00 34.24 C ATOM 804 CD2 TYR A 54 6.012 -0.680 1.927 1.00 74.53 C ATOM 805 CE1 TYR A 54 4.945 0.643 4.100 1.00 4.41 C ATOM 806 CE2 TYR A 54 6.453 -0.982 3.200 1.00 64.41 C ATOM 807 CZ TYR A 54 5.919 -0.318 4.282 1.00 34.10 C ATOM 808 OH TYR A 54 6.365 -0.614 5.550 1.00 71.23 O ATOM 0 H TYR A 54 3.704 -1.929 -0.733 1.00 12.41 H new ATOM 0 HA TYR A 54 2.454 0.367 0.622 1.00 10.33 H new ATOM 0 HB2 TYR A 54 5.315 0.278 -0.393 1.00 51.40 H new ATOM 0 HB3 TYR A 54 4.488 1.695 0.221 1.00 51.40 H new ATOM 0 HD1 TYR A 54 3.746 1.690 2.682 1.00 34.24 H new ATOM 0 HD2 TYR A 54 6.436 -1.200 1.081 1.00 74.53 H new ATOM 0 HE1 TYR A 54 4.527 1.162 4.950 1.00 4.41 H new ATOM 0 HE2 TYR A 54 7.213 -1.735 3.347 1.00 64.41 H new ATOM 0 HH TYR A 54 7.050 -1.313 5.501 1.00 71.23 H new ATOM 818 N ILE A 55 2.040 1.399 -1.640 1.00 12.43 N ATOM 819 CA ILE A 55 1.663 1.890 -2.959 1.00 4.43 C ATOM 820 C ILE A 55 1.663 3.412 -2.980 1.00 71.23 C ATOM 821 O ILE A 55 1.411 4.051 -1.959 1.00 35.11 O ATOM 822 CB ILE A 55 0.281 1.341 -3.410 1.00 2.54 C ATOM 823 CG1 ILE A 55 -0.780 1.488 -2.309 1.00 34.14 C ATOM 824 CG2 ILE A 55 0.397 -0.114 -3.833 1.00 21.34 C ATOM 825 CD1 ILE A 55 -1.467 2.837 -2.286 1.00 71.13 C ATOM 0 H ILE A 55 1.612 1.904 -0.864 1.00 12.43 H new ATOM 0 HA ILE A 55 2.406 1.525 -3.668 1.00 4.43 H new ATOM 0 HB ILE A 55 -0.041 1.937 -4.264 1.00 2.54 H new ATOM 0 HG12 ILE A 55 -1.533 0.711 -2.440 1.00 34.14 H new ATOM 0 HG13 ILE A 55 -0.309 1.316 -1.341 1.00 34.14 H new ATOM 0 HG21 ILE A 55 -0.581 -0.481 -4.145 1.00 21.34 H new ATOM 0 HG22 ILE A 55 1.098 -0.197 -4.663 1.00 21.34 H new ATOM 0 HG23 ILE A 55 0.757 -0.709 -2.994 1.00 21.34 H new ATOM 0 HD11 ILE A 55 -2.201 2.858 -1.480 1.00 71.13 H new ATOM 0 HD12 ILE A 55 -0.726 3.620 -2.123 1.00 71.13 H new ATOM 0 HD13 ILE A 55 -1.969 3.006 -3.239 1.00 71.13 H new ATOM 837 N GLY A 56 1.966 3.985 -4.131 1.00 34.22 N ATOM 838 CA GLY A 56 2.003 5.428 -4.250 1.00 22.31 C ATOM 839 C GLY A 56 0.616 6.031 -4.248 1.00 4.35 C ATOM 840 O GLY A 56 -0.207 5.689 -5.094 1.00 74.20 O ATOM 0 H GLY A 56 2.188 3.478 -4.988 1.00 34.22 H new ATOM 0 HA2 GLY A 56 2.581 5.845 -3.426 1.00 22.31 H new ATOM 0 HA3 GLY A 56 2.517 5.703 -5.171 1.00 22.31 H new ATOM 844 N THR A 57 0.363 6.942 -3.314 1.00 10.40 N ATOM 845 CA THR A 57 -0.943 7.570 -3.166 1.00 55.14 C ATOM 846 C THR A 57 -1.338 8.371 -4.405 1.00 73.53 C ATOM 847 O THR A 57 -2.511 8.688 -4.605 1.00 20.41 O ATOM 848 CB THR A 57 -0.935 8.488 -1.940 1.00 72.44 C ATOM 849 OG1 THR A 57 0.417 8.846 -1.619 1.00 5.44 O ATOM 850 CG2 THR A 57 -1.589 7.813 -0.743 1.00 61.30 C ATOM 0 H THR A 57 1.057 7.265 -2.640 1.00 10.40 H new ATOM 0 HA THR A 57 -1.679 6.777 -3.037 1.00 55.14 H new ATOM 0 HB THR A 57 -1.508 9.384 -2.177 1.00 72.44 H new ATOM 0 HG1 THR A 57 0.422 9.435 -0.836 1.00 5.44 H new ATOM 0 HG21 THR A 57 -1.568 8.489 0.112 1.00 61.30 H new ATOM 0 HG22 THR A 57 -2.623 7.565 -0.985 1.00 61.30 H new ATOM 0 HG23 THR A 57 -1.045 6.901 -0.498 1.00 61.30 H new ATOM 858 N ARG A 58 -0.350 8.692 -5.230 1.00 10.43 N ATOM 859 CA ARG A 58 -0.579 9.411 -6.468 1.00 60.51 C ATOM 860 C ARG A 58 -1.442 8.597 -7.430 1.00 63.30 C ATOM 861 O ARG A 58 -2.235 9.158 -8.187 1.00 53.13 O ATOM 862 CB ARG A 58 0.759 9.755 -7.115 1.00 50.44 C ATOM 863 CG ARG A 58 1.527 10.834 -6.371 1.00 74.31 C ATOM 864 CD ARG A 58 2.877 11.101 -7.008 1.00 52.03 C ATOM 865 NE ARG A 58 3.491 12.318 -6.484 1.00 73.54 N ATOM 866 CZ ARG A 58 4.793 12.586 -6.537 1.00 75.24 C ATOM 867 NH1 ARG A 58 5.649 11.669 -6.972 1.00 44.30 N ATOM 868 NH2 ARG A 58 5.238 13.769 -6.128 1.00 74.20 N ATOM 0 H ARG A 58 0.628 8.460 -5.057 1.00 10.43 H new ATOM 0 HA ARG A 58 -1.117 10.331 -6.239 1.00 60.51 H new ATOM 0 HB2 ARG A 58 1.371 8.855 -7.168 1.00 50.44 H new ATOM 0 HB3 ARG A 58 0.585 10.084 -8.140 1.00 50.44 H new ATOM 0 HG2 ARG A 58 0.942 11.754 -6.358 1.00 74.31 H new ATOM 0 HG3 ARG A 58 1.668 10.531 -5.333 1.00 74.31 H new ATOM 0 HD2 ARG A 58 3.538 10.253 -6.828 1.00 52.03 H new ATOM 0 HD3 ARG A 58 2.759 11.189 -8.088 1.00 52.03 H new ATOM 0 HE ARG A 58 2.880 13.009 -6.048 1.00 73.54 H new ATOM 0 HH11 ARG A 58 5.309 10.754 -7.268 1.00 44.30 H new ATOM 0 HH12 ARG A 58 6.646 11.880 -7.011 1.00 44.30 H new ATOM 0 HH21 ARG A 58 4.582 14.466 -5.776 1.00 74.20 H new ATOM 0 HH22 ARG A 58 6.235 13.980 -6.166 1.00 74.20 H new ATOM 882 N TYR A 59 -1.301 7.279 -7.394 1.00 30.31 N ATOM 883 CA TYR A 59 -2.116 6.413 -8.224 1.00 73.22 C ATOM 884 C TYR A 59 -3.037 5.566 -7.360 1.00 71.13 C ATOM 885 O TYR A 59 -2.578 4.710 -6.610 1.00 31.33 O ATOM 886 CB TYR A 59 -1.214 5.506 -9.059 1.00 51.32 C ATOM 887 CG TYR A 59 -0.793 6.109 -10.377 1.00 24.01 C ATOM 888 CD1 TYR A 59 0.121 7.154 -10.438 1.00 4.12 C ATOM 889 CD2 TYR A 59 -1.320 5.631 -11.563 1.00 32.44 C ATOM 890 CE1 TYR A 59 0.495 7.703 -11.649 1.00 64.10 C ATOM 891 CE2 TYR A 59 -0.955 6.171 -12.774 1.00 4.14 C ATOM 892 CZ TYR A 59 -0.047 7.206 -12.816 1.00 64.22 C ATOM 893 OH TYR A 59 0.304 7.751 -14.030 1.00 4.23 O ATOM 0 H TYR A 59 -0.631 6.791 -6.800 1.00 30.31 H new ATOM 0 HA TYR A 59 -2.725 7.029 -8.885 1.00 73.22 H new ATOM 0 HB2 TYR A 59 -0.323 5.264 -8.480 1.00 51.32 H new ATOM 0 HB3 TYR A 59 -1.735 4.568 -9.250 1.00 51.32 H new ATOM 0 HD1 TYR A 59 0.546 7.543 -9.524 1.00 4.12 H new ATOM 0 HD2 TYR A 59 -2.031 4.819 -11.538 1.00 32.44 H new ATOM 0 HE1 TYR A 59 1.206 8.515 -11.682 1.00 64.10 H new ATOM 0 HE2 TYR A 59 -1.379 5.785 -13.689 1.00 4.14 H new ATOM 0 HH TYR A 59 -0.169 7.281 -14.748 1.00 4.23 H new ATOM 903 N LEU A 60 -4.337 5.804 -7.492 1.00 63.30 N ATOM 904 CA LEU A 60 -5.344 5.065 -6.743 1.00 44.11 C ATOM 905 C LEU A 60 -6.705 5.152 -7.417 1.00 73.41 C ATOM 906 O LEU A 60 -7.009 6.132 -8.110 1.00 45.43 O ATOM 907 CB LEU A 60 -5.471 5.604 -5.310 1.00 61.23 C ATOM 908 CG LEU A 60 -4.397 5.143 -4.322 1.00 45.41 C ATOM 909 CD1 LEU A 60 -4.567 5.845 -2.985 1.00 62.44 C ATOM 910 CD2 LEU A 60 -4.457 3.632 -4.146 1.00 62.31 C ATOM 0 H LEU A 60 -4.720 6.512 -8.119 1.00 63.30 H new ATOM 0 HA LEU A 60 -5.019 4.025 -6.715 1.00 44.11 H new ATOM 0 HB2 LEU A 60 -5.456 6.693 -5.350 1.00 61.23 H new ATOM 0 HB3 LEU A 60 -6.446 5.313 -4.919 1.00 61.23 H new ATOM 0 HG LEU A 60 -3.418 5.406 -4.723 1.00 45.41 H new ATOM 0 HD11 LEU A 60 -3.795 5.505 -2.295 1.00 62.44 H new ATOM 0 HD12 LEU A 60 -4.479 6.922 -3.126 1.00 62.44 H new ATOM 0 HD13 LEU A 60 -5.549 5.612 -2.574 1.00 62.44 H new ATOM 0 HD21 LEU A 60 -3.688 3.317 -3.441 1.00 62.31 H new ATOM 0 HD22 LEU A 60 -5.438 3.349 -3.764 1.00 62.31 H new ATOM 0 HD23 LEU A 60 -4.288 3.147 -5.107 1.00 62.31 H new ATOM 922 N SER A 61 -7.514 4.126 -7.216 1.00 62.14 N ATOM 923 CA SER A 61 -8.930 4.208 -7.502 1.00 3.34 C ATOM 924 C SER A 61 -9.647 4.517 -6.194 1.00 13.33 C ATOM 925 O SER A 61 -9.565 3.746 -5.238 1.00 74.35 O ATOM 926 CB SER A 61 -9.438 2.889 -8.090 1.00 34.31 C ATOM 927 OG SER A 61 -8.672 2.503 -9.216 1.00 14.01 O ATOM 0 H SER A 61 -7.209 3.223 -6.854 1.00 62.14 H new ATOM 0 HA SER A 61 -9.122 4.990 -8.237 1.00 3.34 H new ATOM 0 HB2 SER A 61 -9.393 2.108 -7.331 1.00 34.31 H new ATOM 0 HB3 SER A 61 -10.484 2.995 -8.377 1.00 34.31 H new ATOM 0 HG SER A 61 -9.209 2.608 -10.029 1.00 14.01 H new ATOM 933 N LYS A 62 -10.330 5.647 -6.142 1.00 0.34 N ATOM 934 CA LYS A 62 -10.928 6.101 -4.899 1.00 24.35 C ATOM 935 C LYS A 62 -12.407 5.745 -4.840 1.00 31.50 C ATOM 936 O LYS A 62 -13.025 5.449 -5.862 1.00 24.52 O ATOM 937 CB LYS A 62 -10.727 7.607 -4.736 1.00 41.21 C ATOM 938 CG LYS A 62 -10.452 8.004 -3.298 1.00 14.53 C ATOM 939 CD LYS A 62 -10.137 9.479 -3.159 1.00 65.02 C ATOM 940 CE LYS A 62 -11.364 10.343 -3.386 1.00 11.24 C ATOM 941 NZ LYS A 62 -11.097 11.772 -3.085 1.00 11.05 N ATOM 0 H LYS A 62 -10.484 6.263 -6.940 1.00 0.34 H new ATOM 0 HA LYS A 62 -10.431 5.591 -4.074 1.00 24.35 H new ATOM 0 HB2 LYS A 62 -9.896 7.929 -5.364 1.00 41.21 H new ATOM 0 HB3 LYS A 62 -11.616 8.129 -5.090 1.00 41.21 H new ATOM 0 HG2 LYS A 62 -11.319 7.761 -2.684 1.00 14.53 H new ATOM 0 HG3 LYS A 62 -9.616 7.419 -2.915 1.00 14.53 H new ATOM 0 HD2 LYS A 62 -9.736 9.672 -2.164 1.00 65.02 H new ATOM 0 HD3 LYS A 62 -9.362 9.754 -3.874 1.00 65.02 H new ATOM 0 HE2 LYS A 62 -11.691 10.245 -4.421 1.00 11.24 H new ATOM 0 HE3 LYS A 62 -12.181 9.986 -2.759 1.00 11.24 H new ATOM 0 HZ1 LYS A 62 -11.959 12.329 -3.252 1.00 11.05 H new ATOM 0 HZ2 LYS A 62 -10.809 11.869 -2.090 1.00 11.05 H new ATOM 0 HZ3 LYS A 62 -10.335 12.120 -3.701 1.00 11.05 H new