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 13 ASN : amide:sc= -4.46! C(o=-5.2!,f=-8.1!) USER MOD Set 1.2: A 61 SER OG : rot 100:sc= -0.738 USER MOD Single : A 16 SER OG : rot -48:sc= 0.136 USER MOD Single : A 20 THR OG1 : rot 171:sc= 0.725 USER MOD Single : A 21 ASN : amide:sc= 0.413 K(o=0.41,f=-12!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.62) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0186) USER MOD Single : A 35 GLN : amide:sc= -0.0169 K(o=-0.017,f=-2.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 SER OG : rot -46:sc= 0.386 USER MOD Single : A 44 SER OG : rot 104:sc= -1.46! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 48 TYR OH : rot -13:sc= -0.885 USER MOD Single : A 49 ASN : amide:sc=-0.00396 X(o=-0.004,f=-0.055) USER MOD Single : A 51 GLN : amide:sc= -2.1! K(o=-2.1!,f=-1.1) 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 121:sc= 1.32 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 -6.386 2.283 -11.225 1.00 21.23 N ATOM 155 CA ALA A 11 -5.325 1.298 -11.460 1.00 12.32 C ATOM 156 C ALA A 11 -4.017 1.658 -10.750 1.00 64.02 C ATOM 157 O ALA A 11 -3.875 2.750 -10.199 1.00 15.12 O ATOM 158 CB ALA A 11 -5.081 1.121 -12.954 1.00 44.41 C ATOM 0 HA ALA A 11 -5.672 0.356 -11.035 1.00 12.32 H new ATOM 0 HB1 ALA A 11 -4.291 0.387 -13.109 1.00 44.41 H new ATOM 0 HB2 ALA A 11 -5.997 0.775 -13.434 1.00 44.41 H new ATOM 0 HB3 ALA A 11 -4.781 2.074 -13.389 1.00 44.41 H new ATOM 164 N LEU A 12 -3.092 0.691 -10.727 1.00 73.23 N ATOM 165 CA LEU A 12 -1.715 0.909 -10.272 1.00 2.32 C ATOM 166 C LEU A 12 -1.643 1.468 -8.849 1.00 73.25 C ATOM 167 O LEU A 12 -0.693 2.172 -8.511 1.00 3.42 O ATOM 168 CB LEU A 12 -0.999 1.864 -11.235 1.00 42.42 C ATOM 169 CG LEU A 12 -0.977 1.418 -12.701 1.00 34.11 C ATOM 170 CD1 LEU A 12 -0.284 2.462 -13.563 1.00 61.45 C ATOM 171 CD2 LEU A 12 -0.286 0.071 -12.834 1.00 55.11 C ATOM 0 H LEU A 12 -3.279 -0.267 -11.024 1.00 73.23 H new ATOM 0 HA LEU A 12 -1.223 -0.063 -10.262 1.00 2.32 H new ATOM 0 HB2 LEU A 12 -1.479 2.841 -11.176 1.00 42.42 H new ATOM 0 HB3 LEU A 12 0.029 1.993 -10.896 1.00 42.42 H new ATOM 0 HG LEU A 12 -2.005 1.313 -13.048 1.00 34.11 H new ATOM 0 HD11 LEU A 12 -0.277 2.130 -14.601 1.00 61.45 H new ATOM 0 HD12 LEU A 12 -0.819 3.409 -13.488 1.00 61.45 H new ATOM 0 HD13 LEU A 12 0.741 2.596 -13.218 1.00 61.45 H new ATOM 0 HD21 LEU A 12 -0.278 -0.232 -13.881 1.00 55.11 H new ATOM 0 HD22 LEU A 12 0.739 0.151 -12.472 1.00 55.11 H new ATOM 0 HD23 LEU A 12 -0.822 -0.673 -12.245 1.00 55.11 H new ATOM 183 N ASN A 13 -2.616 1.125 -8.011 1.00 14.20 N ATOM 184 CA ASN A 13 -2.668 1.678 -6.659 1.00 32.34 C ATOM 185 C ASN A 13 -2.365 0.617 -5.611 1.00 13.42 C ATOM 186 O ASN A 13 -1.395 0.721 -4.862 1.00 34.50 O ATOM 187 CB ASN A 13 -4.050 2.279 -6.387 1.00 41.12 C ATOM 188 CG ASN A 13 -4.178 2.840 -4.985 1.00 55.31 C ATOM 189 OD1 ASN A 13 -3.223 3.358 -4.423 1.00 4.22 O ATOM 190 ND2 ASN A 13 -5.364 2.722 -4.407 1.00 14.21 N ATOM 0 H ASN A 13 -3.370 0.476 -8.238 1.00 14.20 H new ATOM 0 HA ASN A 13 -1.907 2.456 -6.592 1.00 32.34 H new ATOM 0 HB2 ASN A 13 -4.246 3.071 -7.110 1.00 41.12 H new ATOM 0 HB3 ASN A 13 -4.811 1.513 -6.538 1.00 41.12 H new ATOM 0 HD21 ASN A 13 -5.506 3.070 -3.459 1.00 14.21 H new ATOM 0 HD22 ASN A 13 -6.135 2.283 -4.910 1.00 14.21 H new ATOM 197 N VAL A 14 -3.179 -0.423 -5.596 1.00 71.21 N ATOM 198 CA VAL A 14 -3.090 -1.464 -4.577 1.00 52.50 C ATOM 199 C VAL A 14 -2.068 -2.531 -4.977 1.00 3.21 C ATOM 200 O VAL A 14 -2.337 -3.722 -4.921 1.00 20.24 O ATOM 201 CB VAL A 14 -4.472 -2.120 -4.335 1.00 52.42 C ATOM 202 CG1 VAL A 14 -4.478 -2.921 -3.039 1.00 12.23 C ATOM 203 CG2 VAL A 14 -5.570 -1.068 -4.312 1.00 31.34 C ATOM 0 H VAL A 14 -3.917 -0.573 -6.283 1.00 71.21 H new ATOM 0 HA VAL A 14 -2.761 -0.994 -3.650 1.00 52.50 H new ATOM 0 HB VAL A 14 -4.665 -2.806 -5.160 1.00 52.42 H new ATOM 0 HG11 VAL A 14 -5.460 -3.371 -2.894 1.00 12.23 H new ATOM 0 HG12 VAL A 14 -3.724 -3.706 -3.093 1.00 12.23 H new ATOM 0 HG13 VAL A 14 -4.254 -2.260 -2.202 1.00 12.23 H new ATOM 0 HG21 VAL A 14 -6.532 -1.550 -4.141 1.00 31.34 H new ATOM 0 HG22 VAL A 14 -5.374 -0.355 -3.511 1.00 31.34 H new ATOM 0 HG23 VAL A 14 -5.592 -0.544 -5.267 1.00 31.34 H new ATOM 213 N ARG A 15 -0.886 -2.085 -5.375 1.00 45.22 N ATOM 214 CA ARG A 15 0.166 -2.982 -5.851 1.00 23.33 C ATOM 215 C ARG A 15 0.885 -3.691 -4.703 1.00 23.05 C ATOM 216 O ARG A 15 1.780 -4.501 -4.943 1.00 63.12 O ATOM 217 CB ARG A 15 1.201 -2.196 -6.655 1.00 51.34 C ATOM 218 CG ARG A 15 0.752 -1.779 -8.041 1.00 13.45 C ATOM 219 CD ARG A 15 0.669 -2.971 -8.976 1.00 73.40 C ATOM 220 NE ARG A 15 1.008 -2.612 -10.353 1.00 44.34 N ATOM 221 CZ ARG A 15 0.804 -3.409 -11.398 1.00 60.15 C ATOM 222 NH1 ARG A 15 0.220 -4.590 -11.232 1.00 10.11 N ATOM 223 NH2 ARG A 15 1.203 -3.032 -12.605 1.00 72.03 N ATOM 0 H ARG A 15 -0.626 -1.099 -5.379 1.00 45.22 H new ATOM 0 HA ARG A 15 -0.319 -3.734 -6.474 1.00 23.33 H new ATOM 0 HB2 ARG A 15 1.473 -1.302 -6.093 1.00 51.34 H new ATOM 0 HB3 ARG A 15 2.103 -2.801 -6.748 1.00 51.34 H new ATOM 0 HG2 ARG A 15 -0.222 -1.294 -7.979 1.00 13.45 H new ATOM 0 HG3 ARG A 15 1.449 -1.045 -8.446 1.00 13.45 H new ATOM 0 HD2 ARG A 15 1.345 -3.752 -8.628 1.00 73.40 H new ATOM 0 HD3 ARG A 15 -0.339 -3.385 -8.947 1.00 73.40 H new ATOM 0 HE ARG A 15 1.425 -1.697 -10.522 1.00 44.34 H new ATOM 0 HH11 ARG A 15 -0.073 -4.888 -10.302 1.00 10.11 H new ATOM 0 HH12 ARG A 15 0.065 -5.199 -12.035 1.00 10.11 H new ATOM 0 HH21 ARG A 15 1.666 -2.132 -12.731 1.00 72.03 H new ATOM 0 HH22 ARG A 15 1.047 -3.642 -13.407 1.00 72.03 H new ATOM 237 N SER A 16 0.484 -3.387 -3.465 1.00 71.23 N ATOM 238 CA SER A 16 1.254 -3.779 -2.281 1.00 62.32 C ATOM 239 C SER A 16 2.576 -3.006 -2.311 1.00 31.42 C ATOM 240 O SER A 16 3.597 -3.421 -1.759 1.00 54.23 O ATOM 241 CB SER A 16 1.490 -5.298 -2.238 1.00 44.34 C ATOM 242 OG SER A 16 1.968 -5.711 -0.970 1.00 52.44 O ATOM 0 H SER A 16 -0.370 -2.870 -3.257 1.00 71.23 H new ATOM 0 HA SER A 16 0.698 -3.535 -1.376 1.00 62.32 H new ATOM 0 HB2 SER A 16 0.560 -5.819 -2.465 1.00 44.34 H new ATOM 0 HB3 SER A 16 2.209 -5.578 -3.008 1.00 44.34 H new ATOM 0 HG SER A 16 2.709 -5.131 -0.695 1.00 52.44 H new ATOM 248 N GLY A 17 2.492 -1.844 -2.936 1.00 61.11 N ATOM 249 CA GLY A 17 3.621 -0.987 -3.190 1.00 71.22 C ATOM 250 C GLY A 17 3.258 -0.038 -4.308 1.00 53.14 C ATOM 251 O GLY A 17 2.091 0.023 -4.692 1.00 60.25 O ATOM 0 H GLY A 17 1.611 -1.467 -3.287 1.00 61.11 H new ATOM 0 HA2 GLY A 17 3.884 -0.430 -2.291 1.00 71.22 H new ATOM 0 HA3 GLY A 17 4.493 -1.580 -3.464 1.00 71.22 H new ATOM 255 N GLU A 18 4.213 0.707 -4.833 1.00 15.31 N ATOM 256 CA GLU A 18 3.938 1.536 -5.998 1.00 63.23 C ATOM 257 C GLU A 18 4.667 0.974 -7.208 1.00 62.14 C ATOM 258 O GLU A 18 4.057 0.371 -8.093 1.00 52.04 O ATOM 259 CB GLU A 18 4.346 2.988 -5.754 1.00 75.24 C ATOM 260 CG GLU A 18 3.997 3.918 -6.905 1.00 31.13 C ATOM 261 CD GLU A 18 4.355 5.360 -6.622 1.00 60.20 C ATOM 262 OE1 GLU A 18 5.130 5.609 -5.675 1.00 52.41 O ATOM 263 OE2 GLU A 18 3.865 6.253 -7.342 1.00 53.32 O ATOM 0 H GLU A 18 5.169 0.758 -4.482 1.00 15.31 H new ATOM 0 HA GLU A 18 2.864 1.523 -6.186 1.00 63.23 H new ATOM 0 HB2 GLU A 18 3.859 3.346 -4.847 1.00 75.24 H new ATOM 0 HB3 GLU A 18 5.421 3.030 -5.576 1.00 75.24 H new ATOM 0 HG2 GLU A 18 4.519 3.588 -7.804 1.00 31.13 H new ATOM 0 HG3 GLU A 18 2.929 3.847 -7.112 1.00 31.13 H new ATOM 270 N GLY A 19 5.973 1.164 -7.238 1.00 42.53 N ATOM 271 CA GLY A 19 6.779 0.569 -8.277 1.00 11.21 C ATOM 272 C GLY A 19 7.735 -0.452 -7.710 1.00 22.51 C ATOM 273 O GLY A 19 8.398 -1.176 -8.450 1.00 44.45 O ATOM 0 H GLY A 19 6.491 1.722 -6.559 1.00 42.53 H new ATOM 0 HA2 GLY A 19 6.133 0.095 -9.015 1.00 11.21 H new ATOM 0 HA3 GLY A 19 7.339 1.347 -8.796 1.00 11.21 H new ATOM 277 N THR A 20 7.784 -0.509 -6.385 1.00 31.44 N ATOM 278 CA THR A 20 8.684 -1.400 -5.675 1.00 14.42 C ATOM 279 C THR A 20 8.223 -2.854 -5.781 1.00 41.22 C ATOM 280 O THR A 20 9.035 -3.767 -5.926 1.00 52.52 O ATOM 281 CB THR A 20 8.751 -0.994 -4.200 1.00 31.32 C ATOM 282 OG1 THR A 20 8.257 0.344 -4.070 1.00 72.01 O ATOM 283 CG2 THR A 20 10.177 -1.072 -3.680 1.00 41.22 C ATOM 0 H THR A 20 7.200 0.063 -5.775 1.00 31.44 H new ATOM 0 HA THR A 20 9.671 -1.319 -6.130 1.00 14.42 H new ATOM 0 HB THR A 20 8.141 -1.680 -3.612 1.00 31.32 H new ATOM 0 HG1 THR A 20 8.151 0.563 -3.121 1.00 72.01 H new ATOM 0 HG21 THR A 20 10.198 -0.779 -2.630 1.00 41.22 H new ATOM 0 HG22 THR A 20 10.545 -2.093 -3.779 1.00 41.22 H new ATOM 0 HG23 THR A 20 10.812 -0.400 -4.257 1.00 41.22 H new ATOM 291 N ASN A 21 6.914 -3.058 -5.702 1.00 61.53 N ATOM 292 CA ASN A 21 6.330 -4.385 -5.837 1.00 24.14 C ATOM 293 C ASN A 21 5.030 -4.274 -6.616 1.00 42.41 C ATOM 294 O ASN A 21 4.201 -3.414 -6.329 1.00 1.24 O ATOM 295 CB ASN A 21 6.077 -5.014 -4.459 1.00 22.13 C ATOM 296 CG ASN A 21 5.719 -6.494 -4.536 1.00 1.24 C ATOM 297 OD1 ASN A 21 5.140 -6.965 -5.514 1.00 35.01 O ATOM 298 ND2 ASN A 21 6.063 -7.245 -3.499 1.00 4.21 N ATOM 0 H ASN A 21 6.233 -2.315 -5.544 1.00 61.53 H new ATOM 0 HA ASN A 21 7.025 -5.031 -6.373 1.00 24.14 H new ATOM 0 HB2 ASN A 21 6.967 -4.893 -3.842 1.00 22.13 H new ATOM 0 HB3 ASN A 21 5.269 -4.476 -3.963 1.00 22.13 H new ATOM 0 HD21 ASN A 21 5.848 -8.242 -3.498 1.00 4.21 H new ATOM 0 HD22 ASN A 21 6.542 -6.826 -2.702 1.00 4.21 H new ATOM 305 N TYR A 22 4.880 -5.121 -7.621 1.00 72.31 N ATOM 306 CA TYR A 22 3.704 -5.103 -8.479 1.00 2.03 C ATOM 307 C TYR A 22 3.112 -6.503 -8.611 1.00 51.32 C ATOM 308 O TYR A 22 2.197 -6.732 -9.402 1.00 32.43 O ATOM 309 CB TYR A 22 4.080 -4.564 -9.865 1.00 4.30 C ATOM 310 CG TYR A 22 5.185 -5.347 -10.551 1.00 41.32 C ATOM 311 CD1 TYR A 22 4.891 -6.447 -11.352 1.00 12.44 C ATOM 312 CD2 TYR A 22 6.518 -4.985 -10.404 1.00 43.51 C ATOM 313 CE1 TYR A 22 5.894 -7.161 -11.982 1.00 40.24 C ATOM 314 CE2 TYR A 22 7.526 -5.695 -11.031 1.00 72.11 C ATOM 315 CZ TYR A 22 7.208 -6.783 -11.818 1.00 63.41 C ATOM 316 OH TYR A 22 8.208 -7.492 -12.451 1.00 14.02 O ATOM 0 H TYR A 22 5.565 -5.837 -7.865 1.00 72.31 H new ATOM 0 HA TYR A 22 2.955 -4.452 -8.028 1.00 2.03 H new ATOM 0 HB2 TYR A 22 3.194 -4.573 -10.500 1.00 4.30 H new ATOM 0 HB3 TYR A 22 4.392 -3.524 -9.767 1.00 4.30 H new ATOM 0 HD1 TYR A 22 3.862 -6.748 -11.484 1.00 12.44 H new ATOM 0 HD2 TYR A 22 6.772 -4.134 -9.789 1.00 43.51 H new ATOM 0 HE1 TYR A 22 5.648 -8.012 -12.600 1.00 40.24 H new ATOM 0 HE2 TYR A 22 8.557 -5.399 -10.905 1.00 72.11 H new ATOM 0 HH TYR A 22 9.078 -7.096 -12.233 1.00 14.02 H new ATOM 326 N ARG A 23 3.632 -7.434 -7.822 1.00 31.53 N ATOM 327 CA ARG A 23 3.366 -8.852 -8.032 1.00 14.11 C ATOM 328 C ARG A 23 2.003 -9.295 -7.501 1.00 44.14 C ATOM 329 O ARG A 23 1.247 -9.960 -8.210 1.00 65.42 O ATOM 330 CB ARG A 23 4.464 -9.694 -7.377 1.00 43.04 C ATOM 331 CG ARG A 23 5.838 -9.519 -8.005 1.00 12.50 C ATOM 332 CD ARG A 23 6.851 -10.478 -7.397 1.00 50.11 C ATOM 333 NE ARG A 23 6.460 -11.875 -7.578 1.00 71.32 N ATOM 334 CZ ARG A 23 7.296 -12.909 -7.473 1.00 62.13 C ATOM 335 NH1 ARG A 23 8.568 -12.719 -7.160 1.00 21.25 N ATOM 336 NH2 ARG A 23 6.860 -14.143 -7.669 1.00 13.13 N ATOM 0 H ARG A 23 4.242 -7.233 -7.029 1.00 31.53 H new ATOM 0 HA ARG A 23 3.357 -9.008 -9.111 1.00 14.11 H new ATOM 0 HB2 ARG A 23 4.524 -9.435 -6.320 1.00 43.04 H new ATOM 0 HB3 ARG A 23 4.182 -10.746 -7.432 1.00 43.04 H new ATOM 0 HG2 ARG A 23 5.773 -9.689 -9.080 1.00 12.50 H new ATOM 0 HG3 ARG A 23 6.176 -8.492 -7.864 1.00 12.50 H new ATOM 0 HD2 ARG A 23 7.827 -10.312 -7.854 1.00 50.11 H new ATOM 0 HD3 ARG A 23 6.957 -10.266 -6.333 1.00 50.11 H new ATOM 0 HE ARG A 23 5.484 -12.072 -7.799 1.00 71.32 H new ATOM 0 HH11 ARG A 23 8.917 -11.775 -6.996 1.00 21.25 H new ATOM 0 HH12 ARG A 23 9.199 -13.517 -7.082 1.00 21.25 H new ATOM 0 HH21 ARG A 23 5.880 -14.307 -7.902 1.00 13.13 H new ATOM 0 HH22 ARG A 23 7.503 -14.930 -7.588 1.00 13.13 H new ATOM 350 N ILE A 24 1.685 -8.932 -6.267 1.00 40.24 N ATOM 351 CA ILE A 24 0.541 -9.536 -5.586 1.00 41.35 C ATOM 352 C ILE A 24 -0.789 -8.958 -6.067 1.00 11.31 C ATOM 353 O ILE A 24 -1.658 -9.696 -6.532 1.00 35.43 O ATOM 354 CB ILE A 24 0.619 -9.391 -4.044 1.00 11.34 C ATOM 355 CG1 ILE A 24 2.004 -9.772 -3.509 1.00 45.01 C ATOM 356 CG2 ILE A 24 -0.437 -10.265 -3.382 1.00 61.41 C ATOM 357 CD1 ILE A 24 3.015 -8.648 -3.556 1.00 44.35 C ATOM 0 H ILE A 24 2.191 -8.234 -5.721 1.00 40.24 H new ATOM 0 HA ILE A 24 0.586 -10.595 -5.842 1.00 41.35 H new ATOM 0 HB ILE A 24 0.437 -8.344 -3.803 1.00 11.34 H new ATOM 0 HG12 ILE A 24 1.903 -10.112 -2.478 1.00 45.01 H new ATOM 0 HG13 ILE A 24 2.386 -10.614 -4.086 1.00 45.01 H new ATOM 0 HG21 ILE A 24 -0.373 -10.156 -2.299 1.00 61.41 H new ATOM 0 HG22 ILE A 24 -1.427 -9.959 -3.720 1.00 61.41 H new ATOM 0 HG23 ILE A 24 -0.268 -11.307 -3.652 1.00 61.41 H new ATOM 0 HD11 ILE A 24 3.968 -8.999 -3.160 1.00 44.35 H new ATOM 0 HD12 ILE A 24 3.149 -8.322 -4.587 1.00 44.35 H new ATOM 0 HD13 ILE A 24 2.658 -7.812 -2.954 1.00 44.35 H new ATOM 369 N ILE A 25 -0.945 -7.647 -5.969 1.00 12.45 N ATOM 370 CA ILE A 25 -2.203 -7.009 -6.334 1.00 15.45 C ATOM 371 C ILE A 25 -1.933 -5.830 -7.274 1.00 72.13 C ATOM 372 O ILE A 25 -0.794 -5.381 -7.397 1.00 2.53 O ATOM 373 CB ILE A 25 -3.005 -6.513 -5.086 1.00 33.35 C ATOM 374 CG1 ILE A 25 -2.828 -7.444 -3.880 1.00 72.34 C ATOM 375 CG2 ILE A 25 -4.486 -6.376 -5.413 1.00 72.12 C ATOM 376 CD1 ILE A 25 -1.675 -7.045 -2.983 1.00 65.51 C ATOM 0 H ILE A 25 -0.222 -7.006 -5.642 1.00 12.45 H new ATOM 0 HA ILE A 25 -2.813 -7.760 -6.837 1.00 15.45 H new ATOM 0 HB ILE A 25 -2.602 -5.536 -4.821 1.00 33.35 H new ATOM 0 HG12 ILE A 25 -3.749 -7.451 -3.296 1.00 72.34 H new ATOM 0 HG13 ILE A 25 -2.668 -8.462 -4.235 1.00 72.34 H new ATOM 0 HG21 ILE A 25 -5.023 -6.030 -4.530 1.00 72.12 H new ATOM 0 HG22 ILE A 25 -4.615 -5.656 -6.221 1.00 72.12 H new ATOM 0 HG23 ILE A 25 -4.881 -7.344 -5.722 1.00 72.12 H new ATOM 0 HD11 ILE A 25 -1.604 -7.744 -2.149 1.00 65.51 H new ATOM 0 HD12 ILE A 25 -0.746 -7.065 -3.553 1.00 65.51 H new ATOM 0 HD13 ILE A 25 -1.844 -6.039 -2.600 1.00 65.51 H new ATOM 388 N GLY A 26 -2.968 -5.356 -7.956 1.00 12.11 N ATOM 389 CA GLY A 26 -2.823 -4.212 -8.839 1.00 14.22 C ATOM 390 C GLY A 26 -3.736 -3.068 -8.442 1.00 14.33 C ATOM 391 O GLY A 26 -3.274 -2.006 -8.023 1.00 20.01 O ATOM 0 H GLY A 26 -3.910 -5.745 -7.914 1.00 12.11 H new ATOM 0 HA2 GLY A 26 -1.788 -3.871 -8.824 1.00 14.22 H new ATOM 0 HA3 GLY A 26 -3.044 -4.514 -9.863 1.00 14.22 H new ATOM 395 N ALA A 27 -5.034 -3.277 -8.585 1.00 51.34 N ATOM 396 CA ALA A 27 -6.015 -2.284 -8.177 1.00 21.51 C ATOM 397 C ALA A 27 -7.319 -2.960 -7.775 1.00 73.44 C ATOM 398 O ALA A 27 -8.162 -3.255 -8.621 1.00 25.32 O ATOM 399 CB ALA A 27 -6.260 -1.285 -9.300 1.00 31.13 C ATOM 0 H ALA A 27 -5.434 -4.127 -8.981 1.00 51.34 H new ATOM 0 HA ALA A 27 -5.623 -1.745 -7.314 1.00 21.51 H new ATOM 0 HB1 ALA A 27 -6.997 -0.549 -8.978 1.00 31.13 H new ATOM 0 HB2 ALA A 27 -5.326 -0.780 -9.548 1.00 31.13 H new ATOM 0 HB3 ALA A 27 -6.633 -1.810 -10.179 1.00 31.13 H new ATOM 405 N LEU A 28 -7.470 -3.222 -6.484 1.00 15.34 N ATOM 406 CA LEU A 28 -8.685 -3.834 -5.964 1.00 33.14 C ATOM 407 C LEU A 28 -8.830 -3.521 -4.482 1.00 2.23 C ATOM 408 O LEU A 28 -8.341 -4.261 -3.636 1.00 51.24 O ATOM 409 CB LEU A 28 -8.675 -5.354 -6.189 1.00 62.41 C ATOM 410 CG LEU A 28 -9.952 -6.084 -5.759 1.00 45.41 C ATOM 411 CD1 LEU A 28 -11.152 -5.577 -6.539 1.00 71.05 C ATOM 412 CD2 LEU A 28 -9.801 -7.585 -5.945 1.00 72.13 C ATOM 0 H LEU A 28 -6.764 -3.020 -5.776 1.00 15.34 H new ATOM 0 HA LEU A 28 -9.537 -3.419 -6.502 1.00 33.14 H new ATOM 0 HB2 LEU A 28 -8.504 -5.548 -7.248 1.00 62.41 H new ATOM 0 HB3 LEU A 28 -7.831 -5.780 -5.646 1.00 62.41 H new ATOM 0 HG LEU A 28 -10.116 -5.879 -4.701 1.00 45.41 H new ATOM 0 HD11 LEU A 28 -12.047 -6.110 -6.217 1.00 71.05 H new ATOM 0 HD12 LEU A 28 -11.280 -4.510 -6.357 1.00 71.05 H new ATOM 0 HD13 LEU A 28 -10.992 -5.747 -7.604 1.00 71.05 H new ATOM 0 HD21 LEU A 28 -10.719 -8.084 -5.634 1.00 72.13 H new ATOM 0 HD22 LEU A 28 -9.607 -7.804 -6.995 1.00 72.13 H new ATOM 0 HD23 LEU A 28 -8.969 -7.945 -5.340 1.00 72.13 H new ATOM 424 N PRO A 29 -9.428 -2.369 -4.162 1.00 22.22 N ATOM 425 CA PRO A 29 -9.670 -1.936 -2.797 1.00 32.32 C ATOM 426 C PRO A 29 -11.141 -2.045 -2.381 1.00 55.11 C ATOM 427 O PRO A 29 -11.937 -2.709 -3.047 1.00 13.43 O ATOM 428 CB PRO A 29 -9.276 -0.471 -2.909 1.00 54.42 C ATOM 429 CG PRO A 29 -9.709 -0.064 -4.292 1.00 74.12 C ATOM 430 CD PRO A 29 -9.872 -1.335 -5.100 1.00 3.10 C ATOM 0 HA PRO A 29 -9.136 -2.530 -2.055 1.00 32.32 H new ATOM 0 HB2 PRO A 29 -9.769 0.131 -2.146 1.00 54.42 H new ATOM 0 HB3 PRO A 29 -8.202 -0.338 -2.775 1.00 54.42 H new ATOM 0 HG2 PRO A 29 -10.646 0.491 -4.254 1.00 74.12 H new ATOM 0 HG3 PRO A 29 -8.968 0.591 -4.750 1.00 74.12 H new ATOM 0 HD2 PRO A 29 -10.905 -1.487 -5.412 1.00 3.10 H new ATOM 0 HD3 PRO A 29 -9.265 -1.321 -6.005 1.00 3.10 H new ATOM 438 N GLN A 30 -11.473 -1.374 -1.273 1.00 2.12 N ATOM 439 CA GLN A 30 -12.857 -1.175 -0.821 1.00 75.42 C ATOM 440 C GLN A 30 -13.460 -2.439 -0.199 1.00 14.20 C ATOM 441 O GLN A 30 -13.737 -3.427 -0.883 1.00 52.41 O ATOM 442 CB GLN A 30 -13.734 -0.663 -1.980 1.00 12.43 C ATOM 443 CG GLN A 30 -14.960 0.139 -1.552 1.00 20.35 C ATOM 444 CD GLN A 30 -16.064 -0.708 -0.946 1.00 3.15 C ATOM 445 OE1 GLN A 30 -16.132 -0.894 0.269 1.00 64.33 O ATOM 446 NE2 GLN A 30 -16.944 -1.224 -1.789 1.00 24.11 N ATOM 0 H GLN A 30 -10.781 -0.948 -0.656 1.00 2.12 H new ATOM 0 HA GLN A 30 -12.832 -0.420 -0.035 1.00 75.42 H new ATOM 0 HB2 GLN A 30 -13.121 -0.042 -2.633 1.00 12.43 H new ATOM 0 HB3 GLN A 30 -14.065 -1.517 -2.571 1.00 12.43 H new ATOM 0 HG2 GLN A 30 -14.654 0.894 -0.827 1.00 20.35 H new ATOM 0 HG3 GLN A 30 -15.356 0.670 -2.418 1.00 20.35 H new ATOM 0 HE21 GLN A 30 -16.855 -1.048 -2.790 1.00 24.11 H new ATOM 0 HE22 GLN A 30 -17.711 -1.798 -1.438 1.00 24.11 H new ATOM 455 N GLY A 31 -13.656 -2.389 1.114 1.00 4.50 N ATOM 456 CA GLY A 31 -14.391 -3.429 1.805 1.00 30.54 C ATOM 457 C GLY A 31 -13.571 -4.669 2.083 1.00 3.23 C ATOM 458 O GLY A 31 -12.753 -4.691 3.004 1.00 63.31 O ATOM 0 H GLY A 31 -13.315 -1.639 1.716 1.00 4.50 H new ATOM 0 HA2 GLY A 31 -14.765 -3.032 2.749 1.00 30.54 H new ATOM 0 HA3 GLY A 31 -15.261 -3.705 1.209 1.00 30.54 H new ATOM 462 N GLN A 32 -13.797 -5.702 1.276 1.00 60.31 N ATOM 463 CA GLN A 32 -13.122 -6.988 1.436 1.00 72.02 C ATOM 464 C GLN A 32 -11.631 -6.851 1.153 1.00 74.21 C ATOM 465 O GLN A 32 -10.838 -7.745 1.454 1.00 54.21 O ATOM 466 CB GLN A 32 -13.744 -8.030 0.502 1.00 63.32 C ATOM 467 CG GLN A 32 -15.197 -8.342 0.821 1.00 73.04 C ATOM 468 CD GLN A 32 -15.840 -9.252 -0.208 1.00 3.41 C ATOM 469 OE1 GLN A 32 -15.799 -10.478 -0.089 1.00 52.43 O ATOM 470 NE2 GLN A 32 -16.450 -8.657 -1.221 1.00 34.33 N ATOM 0 H GLN A 32 -14.452 -5.672 0.494 1.00 60.31 H new ATOM 0 HA GLN A 32 -13.248 -7.318 2.467 1.00 72.02 H new ATOM 0 HB2 GLN A 32 -13.675 -7.672 -0.525 1.00 63.32 H new ATOM 0 HB3 GLN A 32 -13.162 -8.950 0.559 1.00 63.32 H new ATOM 0 HG2 GLN A 32 -15.256 -8.812 1.803 1.00 73.04 H new ATOM 0 HG3 GLN A 32 -15.760 -7.411 0.879 1.00 73.04 H new ATOM 0 HE21 GLN A 32 -16.461 -7.639 -1.283 1.00 34.33 H new ATOM 0 HE22 GLN A 32 -16.909 -9.217 -1.940 1.00 34.33 H new ATOM 479 N LYS A 33 -11.264 -5.724 0.568 1.00 0.35 N ATOM 480 CA LYS A 33 -9.878 -5.406 0.287 1.00 33.03 C ATOM 481 C LYS A 33 -9.540 -4.041 0.882 1.00 42.02 C ATOM 482 O LYS A 33 -10.333 -3.104 0.782 1.00 43.33 O ATOM 483 CB LYS A 33 -9.638 -5.406 -1.224 1.00 73.10 C ATOM 484 CG LYS A 33 -9.691 -6.787 -1.861 1.00 1.43 C ATOM 485 CD LYS A 33 -8.509 -7.644 -1.433 1.00 43.42 C ATOM 486 CE LYS A 33 -8.507 -8.998 -2.125 1.00 14.14 C ATOM 487 NZ LYS A 33 -9.636 -9.855 -1.678 1.00 73.51 N ATOM 0 H LYS A 33 -11.922 -5.002 0.274 1.00 0.35 H new ATOM 0 HA LYS A 33 -9.232 -6.159 0.738 1.00 33.03 H new ATOM 0 HB2 LYS A 33 -10.384 -4.769 -1.700 1.00 73.10 H new ATOM 0 HB3 LYS A 33 -8.664 -4.961 -1.426 1.00 73.10 H new ATOM 0 HG2 LYS A 33 -10.621 -7.282 -1.582 1.00 1.43 H new ATOM 0 HG3 LYS A 33 -9.696 -6.688 -2.947 1.00 1.43 H new ATOM 0 HD2 LYS A 33 -7.580 -7.120 -1.659 1.00 43.42 H new ATOM 0 HD3 LYS A 33 -8.538 -7.789 -0.353 1.00 43.42 H new ATOM 0 HE2 LYS A 33 -8.567 -8.854 -3.204 1.00 14.14 H new ATOM 0 HE3 LYS A 33 -7.564 -9.507 -1.923 1.00 14.14 H new ATOM 0 HZ1 LYS A 33 -9.568 -10.786 -2.136 1.00 73.51 H new ATOM 0 HZ2 LYS A 33 -9.595 -9.973 -0.646 1.00 73.51 H new ATOM 0 HZ3 LYS A 33 -10.537 -9.406 -1.939 1.00 73.51 H new ATOM 501 N VAL A 34 -8.382 -3.929 1.517 1.00 3.22 N ATOM 502 CA VAL A 34 -7.992 -2.673 2.142 1.00 2.44 C ATOM 503 C VAL A 34 -7.451 -1.700 1.099 1.00 20.53 C ATOM 504 O VAL A 34 -6.867 -2.108 0.094 1.00 44.01 O ATOM 505 CB VAL A 34 -6.955 -2.871 3.273 1.00 61.04 C ATOM 506 CG1 VAL A 34 -7.551 -3.684 4.411 1.00 12.31 C ATOM 507 CG2 VAL A 34 -5.694 -3.535 2.752 1.00 5.42 C ATOM 0 H VAL A 34 -7.702 -4.684 1.613 1.00 3.22 H new ATOM 0 HA VAL A 34 -8.891 -2.254 2.595 1.00 2.44 H new ATOM 0 HB VAL A 34 -6.685 -1.886 3.653 1.00 61.04 H new ATOM 0 HG11 VAL A 34 -6.806 -3.812 5.196 1.00 12.31 H new ATOM 0 HG12 VAL A 34 -8.418 -3.162 4.816 1.00 12.31 H new ATOM 0 HG13 VAL A 34 -7.857 -4.662 4.038 1.00 12.31 H new ATOM 0 HG21 VAL A 34 -4.984 -3.661 3.570 1.00 5.42 H new ATOM 0 HG22 VAL A 34 -5.943 -4.511 2.334 1.00 5.42 H new ATOM 0 HG23 VAL A 34 -5.248 -2.911 1.977 1.00 5.42 H new ATOM 517 N GLN A 35 -7.666 -0.416 1.341 1.00 70.52 N ATOM 518 CA GLN A 35 -7.293 0.614 0.381 1.00 42.33 C ATOM 519 C GLN A 35 -6.370 1.654 1.003 1.00 1.24 C ATOM 520 O GLN A 35 -5.486 2.183 0.333 1.00 61.14 O ATOM 521 CB GLN A 35 -8.550 1.284 -0.179 1.00 42.45 C ATOM 522 CG GLN A 35 -9.481 1.845 0.885 1.00 21.31 C ATOM 523 CD GLN A 35 -10.820 2.280 0.325 1.00 0.05 C ATOM 524 OE1 GLN A 35 -11.308 1.726 -0.660 1.00 72.13 O ATOM 525 NE2 GLN A 35 -11.425 3.273 0.951 1.00 21.45 N ATOM 0 H GLN A 35 -8.097 -0.061 2.195 1.00 70.52 H new ATOM 0 HA GLN A 35 -6.747 0.135 -0.432 1.00 42.33 H new ATOM 0 HB2 GLN A 35 -8.251 2.091 -0.847 1.00 42.45 H new ATOM 0 HB3 GLN A 35 -9.098 0.559 -0.780 1.00 42.45 H new ATOM 0 HG2 GLN A 35 -9.642 1.090 1.654 1.00 21.31 H new ATOM 0 HG3 GLN A 35 -9.001 2.696 1.369 1.00 21.31 H new ATOM 0 HE21 GLN A 35 -10.987 3.706 1.764 1.00 21.45 H new ATOM 0 HE22 GLN A 35 -12.331 3.607 0.621 1.00 21.45 H new ATOM 534 N VAL A 36 -6.572 1.942 2.283 1.00 54.43 N ATOM 535 CA VAL A 36 -5.797 2.974 2.955 1.00 75.21 C ATOM 536 C VAL A 36 -5.957 2.881 4.474 1.00 45.41 C ATOM 537 O VAL A 36 -7.077 2.844 4.991 1.00 23.34 O ATOM 538 CB VAL A 36 -6.209 4.384 2.457 1.00 33.12 C ATOM 539 CG1 VAL A 36 -7.708 4.611 2.601 1.00 30.22 C ATOM 540 CG2 VAL A 36 -5.447 5.468 3.195 1.00 73.41 C ATOM 0 H VAL A 36 -7.262 1.477 2.873 1.00 54.43 H new ATOM 0 HA VAL A 36 -4.747 2.812 2.711 1.00 75.21 H new ATOM 0 HB VAL A 36 -5.955 4.437 1.398 1.00 33.12 H new ATOM 0 HG11 VAL A 36 -7.961 5.609 2.243 1.00 30.22 H new ATOM 0 HG12 VAL A 36 -8.247 3.867 2.014 1.00 30.22 H new ATOM 0 HG13 VAL A 36 -7.991 4.520 3.650 1.00 30.22 H new ATOM 0 HG21 VAL A 36 -5.756 6.446 2.825 1.00 73.41 H new ATOM 0 HG22 VAL A 36 -5.659 5.400 4.262 1.00 73.41 H new ATOM 0 HG23 VAL A 36 -4.378 5.339 3.029 1.00 73.41 H new ATOM 550 N ILE A 37 -4.838 2.794 5.182 1.00 34.44 N ATOM 551 CA ILE A 37 -4.865 2.817 6.637 1.00 21.50 C ATOM 552 C ILE A 37 -4.190 4.080 7.167 1.00 72.24 C ATOM 553 O ILE A 37 -4.802 4.857 7.898 1.00 2.25 O ATOM 554 CB ILE A 37 -4.196 1.566 7.256 1.00 21.34 C ATOM 555 CG1 ILE A 37 -4.864 0.290 6.735 1.00 32.31 C ATOM 556 CG2 ILE A 37 -4.263 1.617 8.777 1.00 32.11 C ATOM 557 CD1 ILE A 37 -3.886 -0.809 6.389 1.00 50.00 C ATOM 0 H ILE A 37 -3.907 2.707 4.775 1.00 34.44 H new ATOM 0 HA ILE A 37 -5.914 2.813 6.934 1.00 21.50 H new ATOM 0 HB ILE A 37 -3.147 1.556 6.959 1.00 21.34 H new ATOM 0 HG12 ILE A 37 -5.560 -0.079 7.488 1.00 32.31 H new ATOM 0 HG13 ILE A 37 -5.452 0.533 5.850 1.00 32.31 H new ATOM 0 HG21 ILE A 37 -3.787 0.729 9.192 1.00 32.11 H new ATOM 0 HG22 ILE A 37 -3.745 2.507 9.134 1.00 32.11 H new ATOM 0 HG23 ILE A 37 -5.305 1.652 9.094 1.00 32.11 H new ATOM 0 HD11 ILE A 37 -4.431 -1.681 6.027 1.00 50.00 H new ATOM 0 HD12 ILE A 37 -3.205 -0.459 5.613 1.00 50.00 H new ATOM 0 HD13 ILE A 37 -3.315 -1.081 7.277 1.00 50.00 H new ATOM 569 N SER A 38 -2.939 4.295 6.780 1.00 33.42 N ATOM 570 CA SER A 38 -2.204 5.483 7.196 1.00 22.53 C ATOM 571 C SER A 38 -1.109 5.801 6.197 1.00 52.35 C ATOM 572 O SER A 38 -0.531 4.908 5.587 1.00 54.23 O ATOM 573 CB SER A 38 -1.605 5.284 8.590 1.00 34.34 C ATOM 574 OG SER A 38 -0.875 6.421 9.021 1.00 12.01 O ATOM 0 H SER A 38 -2.412 3.662 6.178 1.00 33.42 H new ATOM 0 HA SER A 38 -2.899 6.322 7.234 1.00 22.53 H new ATOM 0 HB2 SER A 38 -2.404 5.075 9.302 1.00 34.34 H new ATOM 0 HB3 SER A 38 -0.949 4.413 8.582 1.00 34.34 H new ATOM 0 HG SER A 38 -0.510 6.256 9.915 1.00 12.01 H new ATOM 580 N GLU A 39 -0.809 7.075 6.069 1.00 42.44 N ATOM 581 CA GLU A 39 0.125 7.547 5.061 1.00 4.43 C ATOM 582 C GLU A 39 1.456 7.909 5.700 1.00 30.42 C ATOM 583 O GLU A 39 1.497 8.375 6.841 1.00 64.31 O ATOM 584 CB GLU A 39 -0.437 8.769 4.322 1.00 13.54 C ATOM 585 CG GLU A 39 -1.691 8.498 3.499 1.00 64.22 C ATOM 586 CD GLU A 39 -2.950 8.396 4.338 1.00 73.21 C ATOM 587 OE1 GLU A 39 -3.529 9.452 4.681 1.00 70.22 O ATOM 588 OE2 GLU A 39 -3.366 7.267 4.663 1.00 21.45 O ATOM 0 H GLU A 39 -1.201 7.812 6.655 1.00 42.44 H new ATOM 0 HA GLU A 39 0.277 6.741 4.343 1.00 4.43 H new ATOM 0 HB2 GLU A 39 -0.660 9.547 5.052 1.00 13.54 H new ATOM 0 HB3 GLU A 39 0.335 9.164 3.662 1.00 13.54 H new ATOM 0 HG2 GLU A 39 -1.815 9.295 2.766 1.00 64.22 H new ATOM 0 HG3 GLU A 39 -1.558 7.571 2.942 1.00 64.22 H new ATOM 595 N ASN A 40 2.540 7.689 4.971 1.00 51.00 N ATOM 596 CA ASN A 40 3.865 8.056 5.450 1.00 1.31 C ATOM 597 C ASN A 40 4.843 8.177 4.292 1.00 11.11 C ATOM 598 O ASN A 40 5.060 7.218 3.548 1.00 40.15 O ATOM 599 CB ASN A 40 4.391 7.027 6.452 1.00 2.31 C ATOM 600 CG ASN A 40 5.673 7.481 7.128 1.00 60.25 C ATOM 601 OD1 ASN A 40 5.882 8.675 7.348 1.00 74.31 O ATOM 602 ND2 ASN A 40 6.540 6.538 7.458 1.00 11.25 N ATOM 0 H ASN A 40 2.529 7.259 4.046 1.00 51.00 H new ATOM 0 HA ASN A 40 3.777 9.022 5.948 1.00 1.31 H new ATOM 0 HB2 ASN A 40 3.630 6.840 7.210 1.00 2.31 H new ATOM 0 HB3 ASN A 40 4.569 6.082 5.939 1.00 2.31 H new ATOM 0 HD21 ASN A 40 7.418 6.789 7.912 1.00 11.25 H new ATOM 0 HD22 ASN A 40 6.330 5.560 7.259 1.00 11.25 H new ATOM 609 N SER A 41 5.399 9.370 4.132 1.00 33.14 N ATOM 610 CA SER A 41 6.474 9.621 3.178 1.00 75.44 C ATOM 611 C SER A 41 5.999 9.449 1.726 1.00 61.24 C ATOM 612 O SER A 41 6.796 9.186 0.825 1.00 1.04 O ATOM 613 CB SER A 41 7.654 8.690 3.487 1.00 23.35 C ATOM 614 OG SER A 41 8.818 9.063 2.767 1.00 13.12 O ATOM 0 H SER A 41 5.117 10.195 4.662 1.00 33.14 H new ATOM 0 HA SER A 41 6.796 10.657 3.282 1.00 75.44 H new ATOM 0 HB2 SER A 41 7.865 8.712 4.556 1.00 23.35 H new ATOM 0 HB3 SER A 41 7.384 7.664 3.236 1.00 23.35 H new ATOM 0 HG SER A 41 8.584 9.231 1.830 1.00 13.12 H new ATOM 620 N GLY A 42 4.703 9.617 1.500 1.00 73.30 N ATOM 621 CA GLY A 42 4.171 9.546 0.150 1.00 44.44 C ATOM 622 C GLY A 42 3.205 8.395 -0.037 1.00 15.11 C ATOM 623 O GLY A 42 2.128 8.568 -0.602 1.00 54.24 O ATOM 0 H GLY A 42 4.010 9.801 2.225 1.00 73.30 H new ATOM 0 HA2 GLY A 42 3.665 10.482 -0.086 1.00 44.44 H new ATOM 0 HA3 GLY A 42 4.995 9.442 -0.556 1.00 44.44 H new ATOM 627 N TRP A 43 3.588 7.223 0.436 1.00 64.22 N ATOM 628 CA TRP A 43 2.745 6.039 0.316 1.00 3.21 C ATOM 629 C TRP A 43 1.828 5.904 1.519 1.00 12.21 C ATOM 630 O TRP A 43 2.067 6.498 2.568 1.00 35.13 O ATOM 631 CB TRP A 43 3.580 4.769 0.217 1.00 20.31 C ATOM 632 CG TRP A 43 4.397 4.642 -1.030 1.00 31.24 C ATOM 633 CD1 TRP A 43 4.188 5.240 -2.239 1.00 73.21 C ATOM 634 CD2 TRP A 43 5.552 3.826 -1.180 1.00 72.20 C ATOM 635 NE1 TRP A 43 5.163 4.851 -3.127 1.00 34.30 N ATOM 636 CE2 TRP A 43 6.012 3.976 -2.499 1.00 1.54 C ATOM 637 CE3 TRP A 43 6.242 2.987 -0.313 1.00 1.11 C ATOM 638 CZ2 TRP A 43 7.142 3.307 -2.968 1.00 64.25 C ATOM 639 CZ3 TRP A 43 7.357 2.322 -0.775 1.00 54.21 C ATOM 640 CH2 TRP A 43 7.799 2.486 -2.093 1.00 11.24 C ATOM 0 H TRP A 43 4.478 7.062 0.908 1.00 64.22 H new ATOM 0 HA TRP A 43 2.158 6.164 -0.594 1.00 3.21 H new ATOM 0 HB2 TRP A 43 4.248 4.724 1.077 1.00 20.31 H new ATOM 0 HB3 TRP A 43 2.914 3.909 0.286 1.00 20.31 H new ATOM 0 HD1 TRP A 43 3.378 5.918 -2.464 1.00 73.21 H new ATOM 0 HE1 TRP A 43 5.242 5.162 -4.095 1.00 34.30 H new ATOM 0 HE3 TRP A 43 5.910 2.858 0.706 1.00 1.11 H new ATOM 0 HZ2 TRP A 43 7.486 3.432 -3.984 1.00 64.25 H new ATOM 0 HZ3 TRP A 43 7.898 1.665 -0.110 1.00 54.21 H new ATOM 0 HH2 TRP A 43 8.677 1.953 -2.426 1.00 11.24 H new ATOM 651 N SER A 44 0.783 5.119 1.353 1.00 52.44 N ATOM 652 CA SER A 44 -0.080 4.759 2.463 1.00 5.32 C ATOM 653 C SER A 44 0.111 3.275 2.754 1.00 42.14 C ATOM 654 O SER A 44 0.153 2.451 1.839 1.00 14.15 O ATOM 655 CB SER A 44 -1.547 5.076 2.153 1.00 44.14 C ATOM 656 OG SER A 44 -2.373 4.870 3.290 1.00 55.13 O ATOM 0 H SER A 44 0.509 4.716 0.457 1.00 52.44 H new ATOM 0 HA SER A 44 0.189 5.346 3.341 1.00 5.32 H new ATOM 0 HB2 SER A 44 -1.635 6.110 1.820 1.00 44.14 H new ATOM 0 HB3 SER A 44 -1.891 4.447 1.332 1.00 44.14 H new ATOM 0 HG SER A 44 -2.613 5.736 3.681 1.00 55.13 H new ATOM 662 N LYS A 45 0.255 2.949 4.024 1.00 24.40 N ATOM 663 CA LYS A 45 0.608 1.620 4.449 1.00 61.12 C ATOM 664 C LYS A 45 -0.605 0.698 4.498 1.00 55.20 C ATOM 665 O LYS A 45 -1.645 1.047 5.062 1.00 11.43 O ATOM 666 CB LYS A 45 1.246 1.741 5.821 1.00 24.14 C ATOM 667 CG LYS A 45 1.926 0.493 6.317 1.00 22.35 C ATOM 668 CD LYS A 45 2.806 0.830 7.497 1.00 34.43 C ATOM 669 CE LYS A 45 3.878 1.836 7.108 1.00 30.31 C ATOM 670 NZ LYS A 45 4.671 2.302 8.273 1.00 74.24 N ATOM 0 H LYS A 45 0.128 3.609 4.791 1.00 24.40 H new ATOM 0 HA LYS A 45 1.301 1.176 3.734 1.00 61.12 H new ATOM 0 HB2 LYS A 45 1.977 2.550 5.796 1.00 24.14 H new ATOM 0 HB3 LYS A 45 0.478 2.028 6.539 1.00 24.14 H new ATOM 0 HG2 LYS A 45 1.181 -0.249 6.606 1.00 22.35 H new ATOM 0 HG3 LYS A 45 2.523 0.051 5.520 1.00 22.35 H new ATOM 0 HD2 LYS A 45 2.197 1.236 8.305 1.00 34.43 H new ATOM 0 HD3 LYS A 45 3.275 -0.078 7.877 1.00 34.43 H new ATOM 0 HE2 LYS A 45 4.546 1.384 6.375 1.00 30.31 H new ATOM 0 HE3 LYS A 45 3.409 2.694 6.626 1.00 30.31 H new ATOM 0 HZ1 LYS A 45 5.387 2.985 7.954 1.00 74.24 H new ATOM 0 HZ2 LYS A 45 4.040 2.758 8.962 1.00 74.24 H new ATOM 0 HZ3 LYS A 45 5.142 1.490 8.720 1.00 74.24 H new ATOM 684 N ILE A 46 -0.456 -0.474 3.895 1.00 32.03 N ATOM 685 CA ILE A 46 -1.492 -1.498 3.906 1.00 32.32 C ATOM 686 C ILE A 46 -0.854 -2.852 4.211 1.00 73.32 C ATOM 687 O ILE A 46 0.370 -2.963 4.267 1.00 72.21 O ATOM 688 CB ILE A 46 -2.255 -1.585 2.560 1.00 34.33 C ATOM 689 CG1 ILE A 46 -1.313 -2.023 1.432 1.00 15.13 C ATOM 690 CG2 ILE A 46 -2.918 -0.253 2.227 1.00 52.24 C ATOM 691 CD1 ILE A 46 -1.969 -2.092 0.070 1.00 44.24 C ATOM 0 H ILE A 46 0.386 -0.741 3.385 1.00 32.03 H new ATOM 0 HA ILE A 46 -2.215 -1.226 4.675 1.00 32.32 H new ATOM 0 HB ILE A 46 -3.038 -2.336 2.660 1.00 34.33 H new ATOM 0 HG12 ILE A 46 -0.474 -1.329 1.384 1.00 15.13 H new ATOM 0 HG13 ILE A 46 -0.903 -3.003 1.676 1.00 15.13 H new ATOM 0 HG21 ILE A 46 -3.448 -0.337 1.278 1.00 52.24 H new ATOM 0 HG22 ILE A 46 -3.624 0.009 3.015 1.00 52.24 H new ATOM 0 HG23 ILE A 46 -2.157 0.523 2.150 1.00 52.24 H new ATOM 0 HD11 ILE A 46 -1.236 -2.409 -0.671 1.00 44.24 H new ATOM 0 HD12 ILE A 46 -2.790 -2.808 0.098 1.00 44.24 H new ATOM 0 HD13 ILE A 46 -2.354 -1.108 -0.199 1.00 44.24 H new ATOM 703 N ASN A 47 -1.663 -3.874 4.423 1.00 2.22 N ATOM 704 CA ASN A 47 -1.127 -5.205 4.686 1.00 15.20 C ATOM 705 C ASN A 47 -1.875 -6.251 3.873 1.00 60.34 C ATOM 706 O ASN A 47 -3.085 -6.429 4.039 1.00 43.34 O ATOM 707 CB ASN A 47 -1.210 -5.537 6.178 1.00 74.32 C ATOM 708 CG ASN A 47 -0.462 -6.812 6.524 1.00 51.14 C ATOM 709 OD1 ASN A 47 -1.014 -7.912 6.472 1.00 13.32 O ATOM 710 ND2 ASN A 47 0.803 -6.675 6.890 1.00 41.14 N ATOM 0 H ASN A 47 -2.681 -3.814 4.419 1.00 2.22 H new ATOM 0 HA ASN A 47 -0.079 -5.214 4.388 1.00 15.20 H new ATOM 0 HB2 ASN A 47 -0.800 -4.709 6.756 1.00 74.32 H new ATOM 0 HB3 ASN A 47 -2.256 -5.641 6.468 1.00 74.32 H new ATOM 0 HD21 ASN A 47 1.353 -7.497 7.140 1.00 41.14 H new ATOM 0 HD22 ASN A 47 1.227 -5.748 6.921 1.00 41.14 H new ATOM 717 N TYR A 48 -1.159 -6.932 2.989 1.00 33.33 N ATOM 718 CA TYR A 48 -1.764 -7.953 2.145 1.00 3.22 C ATOM 719 C TYR A 48 -1.079 -9.291 2.333 1.00 1.13 C ATOM 720 O TYR A 48 0.092 -9.454 2.002 1.00 54.20 O ATOM 721 CB TYR A 48 -1.740 -7.546 0.669 1.00 71.12 C ATOM 722 CG TYR A 48 -3.009 -6.859 0.228 1.00 75.50 C ATOM 723 CD1 TYR A 48 -3.155 -5.491 0.361 1.00 11.21 C ATOM 724 CD2 TYR A 48 -4.066 -7.585 -0.302 1.00 13.24 C ATOM 725 CE1 TYR A 48 -4.322 -4.858 -0.016 1.00 55.21 C ATOM 726 CE2 TYR A 48 -5.235 -6.959 -0.689 1.00 4.51 C ATOM 727 CZ TYR A 48 -5.357 -5.596 -0.540 1.00 44.15 C ATOM 728 OH TYR A 48 -6.526 -4.973 -0.908 1.00 30.40 O ATOM 0 H TYR A 48 -0.159 -6.796 2.838 1.00 33.33 H new ATOM 0 HA TYR A 48 -2.805 -8.052 2.452 1.00 3.22 H new ATOM 0 HB2 TYR A 48 -0.894 -6.882 0.494 1.00 71.12 H new ATOM 0 HB3 TYR A 48 -1.581 -8.433 0.055 1.00 71.12 H new ATOM 0 HD1 TYR A 48 -2.342 -4.907 0.767 1.00 11.21 H new ATOM 0 HD2 TYR A 48 -3.973 -8.655 -0.414 1.00 13.24 H new ATOM 0 HE1 TYR A 48 -4.422 -3.789 0.100 1.00 55.21 H new ATOM 0 HE2 TYR A 48 -6.048 -7.535 -1.106 1.00 4.51 H new ATOM 0 HH TYR A 48 -6.542 -4.065 -0.540 1.00 30.40 H new ATOM 738 N ASN A 49 -1.835 -10.232 2.876 1.00 41.40 N ATOM 739 CA ASN A 49 -1.370 -11.601 3.093 1.00 2.45 C ATOM 740 C ASN A 49 -0.202 -11.632 4.080 1.00 74.35 C ATOM 741 O ASN A 49 0.712 -12.448 3.970 1.00 55.44 O ATOM 742 CB ASN A 49 -0.974 -12.237 1.756 1.00 54.34 C ATOM 743 CG ASN A 49 -1.025 -13.752 1.786 1.00 42.10 C ATOM 744 OD1 ASN A 49 -0.027 -14.419 2.056 1.00 72.43 O ATOM 745 ND2 ASN A 49 -2.190 -14.305 1.497 1.00 52.24 N ATOM 0 H ASN A 49 -2.795 -10.071 3.182 1.00 41.40 H new ATOM 0 HA ASN A 49 -2.184 -12.181 3.527 1.00 2.45 H new ATOM 0 HB2 ASN A 49 -1.640 -11.871 0.974 1.00 54.34 H new ATOM 0 HB3 ASN A 49 0.034 -11.917 1.492 1.00 54.34 H new ATOM 0 HD21 ASN A 49 -2.285 -15.321 1.492 1.00 52.24 H new ATOM 0 HD22 ASN A 49 -2.994 -13.716 1.279 1.00 52.24 H new ATOM 752 N GLY A 50 -0.242 -10.730 5.051 1.00 0.32 N ATOM 753 CA GLY A 50 0.732 -10.741 6.125 1.00 51.22 C ATOM 754 C GLY A 50 1.984 -9.943 5.820 1.00 42.31 C ATOM 755 O GLY A 50 2.724 -9.576 6.734 1.00 24.42 O ATOM 0 H GLY A 50 -0.937 -9.986 5.114 1.00 0.32 H new ATOM 0 HA2 GLY A 50 0.269 -10.343 7.028 1.00 51.22 H new ATOM 0 HA3 GLY A 50 1.012 -11.772 6.339 1.00 51.22 H new ATOM 759 N GLN A 51 2.222 -9.648 4.552 1.00 14.45 N ATOM 760 CA GLN A 51 3.425 -8.924 4.166 1.00 41.44 C ATOM 761 C GLN A 51 3.141 -7.431 4.100 1.00 42.00 C ATOM 762 O GLN A 51 1.997 -7.013 3.882 1.00 61.01 O ATOM 763 CB GLN A 51 3.966 -9.439 2.829 1.00 22.12 C ATOM 764 CG GLN A 51 3.015 -9.238 1.661 1.00 2.31 C ATOM 765 CD GLN A 51 3.361 -10.099 0.465 1.00 2.13 C ATOM 766 OE1 GLN A 51 4.524 -10.429 0.233 1.00 44.33 O ATOM 767 NE2 GLN A 51 2.348 -10.476 -0.298 1.00 71.42 N ATOM 0 H GLN A 51 1.605 -9.895 3.778 1.00 14.45 H new ATOM 0 HA GLN A 51 4.191 -9.096 4.922 1.00 41.44 H new ATOM 0 HB2 GLN A 51 4.907 -8.934 2.610 1.00 22.12 H new ATOM 0 HB3 GLN A 51 4.190 -10.502 2.924 1.00 22.12 H new ATOM 0 HG2 GLN A 51 1.999 -9.464 1.983 1.00 2.31 H new ATOM 0 HG3 GLN A 51 3.029 -8.189 1.364 1.00 2.31 H new ATOM 0 HE21 GLN A 51 1.399 -10.180 -0.069 1.00 71.42 H new ATOM 0 HE22 GLN A 51 2.516 -11.063 -1.115 1.00 71.42 H new ATOM 776 N THR A 52 4.175 -6.631 4.301 1.00 33.44 N ATOM 777 CA THR A 52 4.014 -5.192 4.371 1.00 4.42 C ATOM 778 C THR A 52 3.787 -4.603 2.983 1.00 25.43 C ATOM 779 O THR A 52 4.641 -4.713 2.100 1.00 1.42 O ATOM 780 CB THR A 52 5.240 -4.525 5.021 1.00 4.13 C ATOM 781 OG1 THR A 52 5.545 -5.168 6.270 1.00 14.52 O ATOM 782 CG2 THR A 52 4.983 -3.044 5.265 1.00 12.21 C ATOM 0 H THR A 52 5.135 -6.956 4.418 1.00 33.44 H new ATOM 0 HA THR A 52 3.139 -4.992 4.990 1.00 4.42 H new ATOM 0 HB THR A 52 6.085 -4.628 4.340 1.00 4.13 H new ATOM 0 HG1 THR A 52 6.327 -4.739 6.676 1.00 14.52 H new ATOM 0 HG21 THR A 52 5.862 -2.593 5.725 1.00 12.21 H new ATOM 0 HG22 THR A 52 4.776 -2.549 4.316 1.00 12.21 H new ATOM 0 HG23 THR A 52 4.127 -2.928 5.929 1.00 12.21 H new ATOM 790 N GLY A 53 2.630 -3.989 2.797 1.00 73.43 N ATOM 791 CA GLY A 53 2.300 -3.408 1.517 1.00 32.21 C ATOM 792 C GLY A 53 2.104 -1.912 1.611 1.00 4.24 C ATOM 793 O GLY A 53 2.031 -1.354 2.707 1.00 3.41 O ATOM 0 H GLY A 53 1.912 -3.883 3.514 1.00 73.43 H new ATOM 0 HA2 GLY A 53 3.095 -3.626 0.804 1.00 32.21 H new ATOM 0 HA3 GLY A 53 1.391 -3.870 1.132 1.00 32.21 H new ATOM 797 N TYR A 54 2.031 -1.260 0.467 1.00 71.13 N ATOM 798 CA TYR A 54 1.811 0.175 0.404 1.00 43.00 C ATOM 799 C TYR A 54 0.939 0.503 -0.793 1.00 33.43 C ATOM 800 O TYR A 54 0.704 -0.347 -1.650 1.00 2.44 O ATOM 801 CB TYR A 54 3.134 0.938 0.268 1.00 32.25 C ATOM 802 CG TYR A 54 4.097 0.752 1.418 1.00 14.51 C ATOM 803 CD1 TYR A 54 3.873 1.361 2.645 1.00 13.03 C ATOM 804 CD2 TYR A 54 5.242 -0.018 1.269 1.00 52.50 C ATOM 805 CE1 TYR A 54 4.759 1.201 3.692 1.00 63.41 C ATOM 806 CE2 TYR A 54 6.129 -0.184 2.310 1.00 24.10 C ATOM 807 CZ TYR A 54 5.886 0.428 3.518 1.00 1.21 C ATOM 808 OH TYR A 54 6.781 0.273 4.552 1.00 2.02 O ATOM 0 H TYR A 54 2.122 -1.708 -0.445 1.00 71.13 H new ATOM 0 HA TYR A 54 1.323 0.479 1.330 1.00 43.00 H new ATOM 0 HB2 TYR A 54 3.625 0.623 -0.653 1.00 32.25 H new ATOM 0 HB3 TYR A 54 2.915 2.001 0.165 1.00 32.25 H new ATOM 0 HD1 TYR A 54 2.992 1.970 2.783 1.00 13.03 H new ATOM 0 HD2 TYR A 54 5.441 -0.495 0.321 1.00 52.50 H new ATOM 0 HE1 TYR A 54 4.570 1.679 4.642 1.00 63.41 H new ATOM 0 HE2 TYR A 54 7.012 -0.792 2.178 1.00 24.10 H new ATOM 0 HH TYR A 54 7.519 -0.303 4.262 1.00 2.02 H new ATOM 818 N ILE A 55 0.431 1.711 -0.826 1.00 72.24 N ATOM 819 CA ILE A 55 -0.163 2.238 -2.039 1.00 64.34 C ATOM 820 C ILE A 55 0.535 3.538 -2.398 1.00 71.05 C ATOM 821 O ILE A 55 0.926 4.302 -1.513 1.00 65.25 O ATOM 822 CB ILE A 55 -1.699 2.446 -1.918 1.00 70.41 C ATOM 823 CG1 ILE A 55 -2.067 3.425 -0.798 1.00 33.22 C ATOM 824 CG2 ILE A 55 -2.402 1.116 -1.699 1.00 33.42 C ATOM 825 CD1 ILE A 55 -2.189 4.866 -1.254 1.00 15.24 C ATOM 0 H ILE A 55 0.415 2.350 -0.031 1.00 72.24 H new ATOM 0 HA ILE A 55 -0.024 1.504 -2.833 1.00 64.34 H new ATOM 0 HB ILE A 55 -2.036 2.882 -2.858 1.00 70.41 H new ATOM 0 HG12 ILE A 55 -3.012 3.114 -0.354 1.00 33.22 H new ATOM 0 HG13 ILE A 55 -1.312 3.365 -0.014 1.00 33.22 H new ATOM 0 HG21 ILE A 55 -3.476 1.281 -1.617 1.00 33.42 H new ATOM 0 HG22 ILE A 55 -2.200 0.455 -2.542 1.00 33.42 H new ATOM 0 HG23 ILE A 55 -2.034 0.657 -0.781 1.00 33.42 H new ATOM 0 HD11 ILE A 55 -2.452 5.496 -0.404 1.00 15.24 H new ATOM 0 HD12 ILE A 55 -1.238 5.197 -1.671 1.00 15.24 H new ATOM 0 HD13 ILE A 55 -2.965 4.942 -2.015 1.00 15.24 H new ATOM 837 N GLY A 56 0.717 3.775 -3.683 1.00 71.13 N ATOM 838 CA GLY A 56 1.405 4.972 -4.110 1.00 2.35 C ATOM 839 C GLY A 56 0.432 6.061 -4.470 1.00 24.33 C ATOM 840 O GLY A 56 -0.104 6.060 -5.568 1.00 64.21 O ATOM 0 H GLY A 56 0.403 3.164 -4.437 1.00 71.13 H new ATOM 0 HA2 GLY A 56 2.064 5.319 -3.314 1.00 2.35 H new ATOM 0 HA3 GLY A 56 2.035 4.745 -4.970 1.00 2.35 H new ATOM 844 N THR A 57 0.237 7.000 -3.545 1.00 21.03 N ATOM 845 CA THR A 57 -0.787 8.042 -3.656 1.00 33.42 C ATOM 846 C THR A 57 -0.754 8.785 -5.000 1.00 53.35 C ATOM 847 O THR A 57 -1.751 9.392 -5.400 1.00 63.45 O ATOM 848 CB THR A 57 -0.627 9.048 -2.501 1.00 44.11 C ATOM 849 OG1 THR A 57 -0.430 8.334 -1.271 1.00 34.40 O ATOM 850 CG2 THR A 57 -1.851 9.942 -2.375 1.00 50.31 C ATOM 0 H THR A 57 0.789 7.061 -2.690 1.00 21.03 H new ATOM 0 HA THR A 57 -1.754 7.542 -3.598 1.00 33.42 H new ATOM 0 HB THR A 57 0.237 9.678 -2.713 1.00 44.11 H new ATOM 0 HG1 THR A 57 0.429 8.593 -0.876 1.00 34.40 H new ATOM 0 HG21 THR A 57 -1.708 10.641 -1.551 1.00 50.31 H new ATOM 0 HG22 THR A 57 -1.993 10.498 -3.302 1.00 50.31 H new ATOM 0 HG23 THR A 57 -2.731 9.329 -2.181 1.00 50.31 H new ATOM 858 N ARG A 58 0.383 8.733 -5.696 1.00 72.42 N ATOM 859 CA ARG A 58 0.485 9.282 -7.041 1.00 5.02 C ATOM 860 C ARG A 58 -0.613 8.715 -7.937 1.00 14.12 C ATOM 861 O ARG A 58 -1.178 9.427 -8.769 1.00 42.22 O ATOM 862 CB ARG A 58 1.865 8.998 -7.632 1.00 14.14 C ATOM 863 CG ARG A 58 2.872 10.102 -7.370 1.00 74.32 C ATOM 864 CD ARG A 58 4.253 9.740 -7.894 1.00 21.30 C ATOM 865 NE ARG A 58 4.882 8.682 -7.101 1.00 74.31 N ATOM 866 CZ ARG A 58 6.055 8.807 -6.479 1.00 13.32 C ATOM 867 NH1 ARG A 58 6.775 9.912 -6.625 1.00 34.34 N ATOM 868 NH2 ARG A 58 6.520 7.810 -5.739 1.00 1.04 N ATOM 0 H ARG A 58 1.245 8.315 -5.346 1.00 72.42 H new ATOM 0 HA ARG A 58 0.353 10.362 -6.983 1.00 5.02 H new ATOM 0 HB2 ARG A 58 2.245 8.064 -7.217 1.00 14.14 H new ATOM 0 HB3 ARG A 58 1.768 8.853 -8.708 1.00 14.14 H new ATOM 0 HG2 ARG A 58 2.533 11.023 -7.844 1.00 74.32 H new ATOM 0 HG3 ARG A 58 2.929 10.296 -6.299 1.00 74.32 H new ATOM 0 HD2 ARG A 58 4.173 9.416 -8.932 1.00 21.30 H new ATOM 0 HD3 ARG A 58 4.888 10.626 -7.884 1.00 21.30 H new ATOM 0 HE ARG A 58 4.391 7.792 -7.019 1.00 74.31 H new ATOM 0 HH11 ARG A 58 6.432 10.670 -7.215 1.00 34.34 H new ATOM 0 HH12 ARG A 58 7.672 10.003 -6.147 1.00 34.34 H new ATOM 0 HH21 ARG A 58 5.981 6.949 -5.646 1.00 1.04 H new ATOM 0 HH22 ARG A 58 7.417 7.904 -5.263 1.00 1.04 H new ATOM 882 N TYR A 59 -0.931 7.443 -7.747 1.00 61.34 N ATOM 883 CA TYR A 59 -2.048 6.830 -8.406 1.00 32.12 C ATOM 884 C TYR A 59 -3.000 6.257 -7.378 1.00 22.41 C ATOM 885 O TYR A 59 -2.588 5.805 -6.319 1.00 61.10 O ATOM 886 CB TYR A 59 -1.596 5.748 -9.355 1.00 45.44 C ATOM 887 CG TYR A 59 -1.063 6.313 -10.632 1.00 4.42 C ATOM 888 CD1 TYR A 59 -1.569 7.494 -11.160 1.00 24.13 C ATOM 889 CD2 TYR A 59 -0.037 5.689 -11.289 1.00 40.44 C ATOM 890 CE1 TYR A 59 -1.062 8.023 -12.323 1.00 0.31 C ATOM 891 CE2 TYR A 59 0.478 6.209 -12.449 1.00 72.44 C ATOM 892 CZ TYR A 59 -0.035 7.378 -12.964 1.00 52.34 C ATOM 893 OH TYR A 59 0.478 7.905 -14.128 1.00 3.11 O ATOM 0 H TYR A 59 -0.415 6.817 -7.129 1.00 61.34 H new ATOM 0 HA TYR A 59 -2.562 7.595 -8.989 1.00 32.12 H new ATOM 0 HB2 TYR A 59 -0.826 5.144 -8.876 1.00 45.44 H new ATOM 0 HB3 TYR A 59 -2.432 5.084 -9.573 1.00 45.44 H new ATOM 0 HD1 TYR A 59 -2.372 8.004 -10.649 1.00 24.13 H new ATOM 0 HD2 TYR A 59 0.373 4.774 -10.888 1.00 40.44 H new ATOM 0 HE1 TYR A 59 -1.468 8.938 -12.728 1.00 0.31 H new ATOM 0 HE2 TYR A 59 1.285 5.702 -12.958 1.00 72.44 H new ATOM 0 HH TYR A 59 1.201 7.330 -14.457 1.00 3.11 H new ATOM 903 N LEU A 60 -4.266 6.263 -7.696 1.00 31.41 N ATOM 904 CA LEU A 60 -5.282 5.832 -6.750 1.00 34.00 C ATOM 905 C LEU A 60 -6.494 5.296 -7.482 1.00 72.25 C ATOM 906 O LEU A 60 -6.954 5.890 -8.453 1.00 23.13 O ATOM 907 CB LEU A 60 -5.709 6.994 -5.836 1.00 21.53 C ATOM 908 CG LEU A 60 -4.701 7.421 -4.761 1.00 51.31 C ATOM 909 CD1 LEU A 60 -5.151 8.715 -4.099 1.00 22.35 C ATOM 910 CD2 LEU A 60 -4.546 6.328 -3.718 1.00 21.43 C ATOM 0 H LEU A 60 -4.628 6.560 -8.602 1.00 31.41 H new ATOM 0 HA LEU A 60 -4.852 5.040 -6.137 1.00 34.00 H new ATOM 0 HB2 LEU A 60 -5.928 7.859 -6.462 1.00 21.53 H new ATOM 0 HB3 LEU A 60 -6.639 6.715 -5.341 1.00 21.53 H new ATOM 0 HG LEU A 60 -3.736 7.588 -5.239 1.00 51.31 H new ATOM 0 HD11 LEU A 60 -4.426 9.006 -3.339 1.00 22.35 H new ATOM 0 HD12 LEU A 60 -5.224 9.502 -4.850 1.00 22.35 H new ATOM 0 HD13 LEU A 60 -6.125 8.566 -3.634 1.00 22.35 H new ATOM 0 HD21 LEU A 60 -3.828 6.646 -2.962 1.00 21.43 H new ATOM 0 HD22 LEU A 60 -5.509 6.137 -3.245 1.00 21.43 H new ATOM 0 HD23 LEU A 60 -4.189 5.416 -4.197 1.00 21.43 H new ATOM 922 N SER A 61 -7.002 4.179 -7.006 1.00 73.52 N ATOM 923 CA SER A 61 -8.189 3.567 -7.565 1.00 21.24 C ATOM 924 C SER A 61 -9.184 3.272 -6.455 1.00 1.12 C ATOM 925 O SER A 61 -8.804 2.794 -5.387 1.00 40.44 O ATOM 926 CB SER A 61 -7.816 2.289 -8.317 1.00 5.41 C ATOM 927 OG SER A 61 -6.828 1.552 -7.614 1.00 32.30 O ATOM 0 H SER A 61 -6.603 3.668 -6.219 1.00 73.52 H new ATOM 0 HA SER A 61 -8.652 4.255 -8.273 1.00 21.24 H new ATOM 0 HB2 SER A 61 -8.704 1.672 -8.455 1.00 5.41 H new ATOM 0 HB3 SER A 61 -7.446 2.543 -9.311 1.00 5.41 H new ATOM 0 HG SER A 61 -7.255 0.820 -7.122 1.00 32.30 H new ATOM 933 N LYS A 62 -10.446 3.582 -6.701 1.00 3.10 N ATOM 934 CA LYS A 62 -11.492 3.377 -5.715 1.00 73.23 C ATOM 935 C LYS A 62 -12.750 2.863 -6.395 1.00 63.44 C ATOM 936 O LYS A 62 -13.348 3.557 -7.213 1.00 75.24 O ATOM 937 CB LYS A 62 -11.779 4.682 -4.979 1.00 41.02 C ATOM 938 CG LYS A 62 -12.757 4.534 -3.831 1.00 43.13 C ATOM 939 CD LYS A 62 -12.943 5.857 -3.121 1.00 45.44 C ATOM 940 CE LYS A 62 -14.000 5.777 -2.031 1.00 45.12 C ATOM 941 NZ LYS A 62 -14.176 7.082 -1.338 1.00 52.45 N ATOM 0 H LYS A 62 -10.772 3.979 -7.582 1.00 3.10 H new ATOM 0 HA LYS A 62 -11.159 2.635 -4.989 1.00 73.23 H new ATOM 0 HB2 LYS A 62 -10.842 5.086 -4.596 1.00 41.02 H new ATOM 0 HB3 LYS A 62 -12.173 5.409 -5.689 1.00 41.02 H new ATOM 0 HG2 LYS A 62 -13.716 4.178 -4.206 1.00 43.13 H new ATOM 0 HG3 LYS A 62 -12.392 3.785 -3.128 1.00 43.13 H new ATOM 0 HD2 LYS A 62 -11.995 6.170 -2.684 1.00 45.44 H new ATOM 0 HD3 LYS A 62 -13.227 6.620 -3.846 1.00 45.44 H new ATOM 0 HE2 LYS A 62 -14.949 5.466 -2.467 1.00 45.12 H new ATOM 0 HE3 LYS A 62 -13.717 5.015 -1.305 1.00 45.12 H new ATOM 0 HZ1 LYS A 62 -14.904 6.989 -0.602 1.00 52.45 H new ATOM 0 HZ2 LYS A 62 -13.276 7.367 -0.901 1.00 52.45 H new ATOM 0 HZ3 LYS A 62 -14.470 7.804 -2.026 1.00 52.45 H new