USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=15 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 Single : A 13 ASN : amide:sc= -0.725 K(o=-0.72,f=-2.5!) USER MOD Single : A 16 SER OG : rot 17:sc= 0.736 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.062) USER MOD Single : A 22 TYR OH : rot -105:sc= 1.01 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.7!) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0799) USER MOD Single : A 35 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.5) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 41 SER OG : rot -36:sc= 0.921 USER MOD Single : A 44 SER OG : rot 15:sc= -0.877 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.0536 K(o=0.054,f=-1.7) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.186 F(o=-1.4,f=-0.19) 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 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -150:sc= -0.0319 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -5.472 0.599 -16.266 1.00 32.31 N ATOM 155 CA ALA A 11 -6.533 -0.172 -15.618 1.00 24.11 C ATOM 156 C ALA A 11 -6.075 -0.769 -14.287 1.00 70.53 C ATOM 157 O ALA A 11 -6.624 -1.771 -13.823 1.00 53.42 O ATOM 158 CB ALA A 11 -7.033 -1.267 -16.552 1.00 51.10 C ATOM 0 HA ALA A 11 -7.353 0.513 -15.400 1.00 24.11 H new ATOM 0 HB1 ALA A 11 -7.822 -1.834 -16.058 1.00 51.10 H new ATOM 0 HB2 ALA A 11 -7.426 -0.816 -17.464 1.00 51.10 H new ATOM 0 HB3 ALA A 11 -6.209 -1.935 -16.803 1.00 51.10 H new ATOM 164 N LEU A 12 -5.088 -0.143 -13.663 1.00 34.31 N ATOM 165 CA LEU A 12 -4.571 -0.633 -12.398 1.00 34.20 C ATOM 166 C LEU A 12 -4.900 0.331 -11.262 1.00 2.43 C ATOM 167 O LEU A 12 -4.870 1.547 -11.437 1.00 0.12 O ATOM 168 CB LEU A 12 -3.058 -0.915 -12.496 1.00 31.31 C ATOM 169 CG LEU A 12 -2.170 0.208 -13.053 1.00 42.23 C ATOM 170 CD1 LEU A 12 -1.837 1.236 -11.982 1.00 12.41 C ATOM 171 CD2 LEU A 12 -0.894 -0.381 -13.636 1.00 24.05 C ATOM 0 H LEU A 12 -4.632 0.701 -14.011 1.00 34.31 H new ATOM 0 HA LEU A 12 -5.063 -1.578 -12.169 1.00 34.20 H new ATOM 0 HB2 LEU A 12 -2.696 -1.169 -11.500 1.00 31.31 H new ATOM 0 HB3 LEU A 12 -2.918 -1.797 -13.120 1.00 31.31 H new ATOM 0 HG LEU A 12 -2.723 0.718 -13.841 1.00 42.23 H new ATOM 0 HD11 LEU A 12 -1.208 2.016 -12.410 1.00 12.41 H new ATOM 0 HD12 LEU A 12 -2.758 1.679 -11.604 1.00 12.41 H new ATOM 0 HD13 LEU A 12 -1.306 0.750 -11.164 1.00 12.41 H new ATOM 0 HD21 LEU A 12 -0.269 0.421 -14.029 1.00 24.05 H new ATOM 0 HD22 LEU A 12 -0.351 -0.915 -12.857 1.00 24.05 H new ATOM 0 HD23 LEU A 12 -1.147 -1.072 -14.441 1.00 24.05 H new ATOM 183 N ASN A 13 -5.263 -0.231 -10.115 1.00 31.11 N ATOM 184 CA ASN A 13 -5.582 0.568 -8.933 1.00 65.25 C ATOM 185 C ASN A 13 -4.612 0.260 -7.798 1.00 43.25 C ATOM 186 O ASN A 13 -3.906 1.142 -7.320 1.00 41.10 O ATOM 187 CB ASN A 13 -7.023 0.307 -8.481 1.00 60.42 C ATOM 188 CG ASN A 13 -8.056 0.918 -9.415 1.00 11.44 C ATOM 189 OD1 ASN A 13 -8.488 2.054 -9.221 1.00 25.52 O ATOM 190 ND2 ASN A 13 -8.466 0.176 -10.433 1.00 42.33 N ATOM 0 H ASN A 13 -5.344 -1.238 -9.976 1.00 31.11 H new ATOM 0 HA ASN A 13 -5.484 1.621 -9.198 1.00 65.25 H new ATOM 0 HB2 ASN A 13 -7.189 -0.768 -8.417 1.00 60.42 H new ATOM 0 HB3 ASN A 13 -7.163 0.711 -7.478 1.00 60.42 H new ATOM 0 HD21 ASN A 13 -9.160 0.543 -11.084 1.00 42.33 H new ATOM 0 HD22 ASN A 13 -8.088 -0.762 -10.565 1.00 42.33 H new ATOM 197 N VAL A 14 -4.566 -1.004 -7.382 1.00 31.10 N ATOM 198 CA VAL A 14 -3.608 -1.449 -6.383 1.00 41.04 C ATOM 199 C VAL A 14 -2.731 -2.528 -7.014 1.00 71.14 C ATOM 200 O VAL A 14 -1.982 -3.234 -6.345 1.00 33.24 O ATOM 201 CB VAL A 14 -4.320 -2.007 -5.122 1.00 75.30 C ATOM 202 CG1 VAL A 14 -3.348 -2.164 -3.961 1.00 42.54 C ATOM 203 CG2 VAL A 14 -5.486 -1.115 -4.720 1.00 21.12 C ATOM 0 H VAL A 14 -5.186 -1.738 -7.726 1.00 31.10 H new ATOM 0 HA VAL A 14 -3.002 -0.602 -6.062 1.00 41.04 H new ATOM 0 HB VAL A 14 -4.708 -2.994 -5.373 1.00 75.30 H new ATOM 0 HG11 VAL A 14 -3.878 -2.557 -3.093 1.00 42.54 H new ATOM 0 HG12 VAL A 14 -2.553 -2.854 -4.243 1.00 42.54 H new ATOM 0 HG13 VAL A 14 -2.916 -1.194 -3.714 1.00 42.54 H new ATOM 0 HG21 VAL A 14 -5.970 -1.526 -3.834 1.00 21.12 H new ATOM 0 HG22 VAL A 14 -5.118 -0.113 -4.501 1.00 21.12 H new ATOM 0 HG23 VAL A 14 -6.206 -1.067 -5.537 1.00 21.12 H new ATOM 213 N ARG A 15 -2.825 -2.619 -8.334 1.00 50.12 N ATOM 214 CA ARG A 15 -2.140 -3.652 -9.091 1.00 65.34 C ATOM 215 C ARG A 15 -0.637 -3.479 -8.943 1.00 54.11 C ATOM 216 O ARG A 15 -0.064 -2.506 -9.433 1.00 4.44 O ATOM 217 CB ARG A 15 -2.565 -3.578 -10.562 1.00 24.22 C ATOM 218 CG ARG A 15 -2.314 -4.842 -11.379 1.00 4.10 C ATOM 219 CD ARG A 15 -0.838 -5.076 -11.661 1.00 42.42 C ATOM 220 NE ARG A 15 -0.637 -6.055 -12.726 1.00 34.04 N ATOM 221 CZ ARG A 15 0.516 -6.673 -12.972 1.00 32.54 C ATOM 222 NH1 ARG A 15 1.599 -6.387 -12.254 1.00 3.03 N ATOM 223 NH2 ARG A 15 0.598 -7.561 -13.952 1.00 12.35 N ATOM 0 H ARG A 15 -3.377 -1.980 -8.906 1.00 50.12 H new ATOM 0 HA ARG A 15 -2.410 -4.636 -8.707 1.00 65.34 H new ATOM 0 HB2 ARG A 15 -3.629 -3.344 -10.604 1.00 24.22 H new ATOM 0 HB3 ARG A 15 -2.037 -2.750 -11.034 1.00 24.22 H new ATOM 0 HG2 ARG A 15 -2.718 -5.701 -10.844 1.00 4.10 H new ATOM 0 HG3 ARG A 15 -2.853 -4.772 -12.324 1.00 4.10 H new ATOM 0 HD2 ARG A 15 -0.368 -4.133 -11.941 1.00 42.42 H new ATOM 0 HD3 ARG A 15 -0.345 -5.421 -10.752 1.00 42.42 H new ATOM 0 HE ARG A 15 -1.434 -6.280 -13.321 1.00 34.04 H new ATOM 0 HH11 ARG A 15 1.549 -5.691 -11.510 1.00 3.03 H new ATOM 0 HH12 ARG A 15 2.480 -6.864 -12.447 1.00 3.03 H new ATOM 0 HH21 ARG A 15 -0.223 -7.772 -14.519 1.00 12.35 H new ATOM 0 HH22 ARG A 15 1.482 -8.034 -14.139 1.00 12.35 H new ATOM 237 N SER A 16 -0.025 -4.426 -8.235 1.00 74.32 N ATOM 238 CA SER A 16 1.406 -4.425 -7.939 1.00 23.24 C ATOM 239 C SER A 16 1.860 -3.141 -7.242 1.00 33.43 C ATOM 240 O SER A 16 3.060 -2.889 -7.128 1.00 0.33 O ATOM 241 CB SER A 16 2.235 -4.698 -9.210 1.00 3.25 C ATOM 242 OG SER A 16 1.931 -3.812 -10.273 1.00 12.41 O ATOM 0 H SER A 16 -0.518 -5.229 -7.844 1.00 74.32 H new ATOM 0 HA SER A 16 1.584 -5.239 -7.236 1.00 23.24 H new ATOM 0 HB2 SER A 16 3.295 -4.617 -8.969 1.00 3.25 H new ATOM 0 HB3 SER A 16 2.060 -5.723 -9.538 1.00 3.25 H new ATOM 0 HG SER A 16 1.449 -3.034 -9.923 1.00 12.41 H new ATOM 248 N GLY A 17 0.902 -2.369 -6.724 1.00 73.42 N ATOM 249 CA GLY A 17 1.218 -1.081 -6.133 1.00 64.13 C ATOM 250 C GLY A 17 1.997 -0.207 -7.093 1.00 63.14 C ATOM 251 O GLY A 17 1.455 0.269 -8.094 1.00 3.22 O ATOM 0 H GLY A 17 -0.087 -2.616 -6.705 1.00 73.42 H new ATOM 0 HA2 GLY A 17 0.296 -0.575 -5.845 1.00 64.13 H new ATOM 0 HA3 GLY A 17 1.798 -1.230 -5.222 1.00 64.13 H new ATOM 255 N GLU A 18 3.269 -0.003 -6.794 1.00 43.13 N ATOM 256 CA GLU A 18 4.178 0.620 -7.738 1.00 21.44 C ATOM 257 C GLU A 18 5.280 -0.373 -8.084 1.00 63.00 C ATOM 258 O GLU A 18 5.506 -1.332 -7.339 1.00 40.24 O ATOM 259 CB GLU A 18 4.763 1.919 -7.186 1.00 73.31 C ATOM 260 CG GLU A 18 3.703 2.951 -6.832 1.00 54.22 C ATOM 261 CD GLU A 18 4.184 4.374 -7.024 1.00 0.40 C ATOM 262 OE1 GLU A 18 5.211 4.750 -6.424 1.00 73.12 O ATOM 263 OE2 GLU A 18 3.543 5.120 -7.793 1.00 2.31 O ATOM 0 H GLU A 18 3.695 -0.260 -5.904 1.00 43.13 H new ATOM 0 HA GLU A 18 3.626 0.886 -8.640 1.00 21.44 H new ATOM 0 HB2 GLU A 18 5.354 1.695 -6.298 1.00 73.31 H new ATOM 0 HB3 GLU A 18 5.444 2.345 -7.923 1.00 73.31 H new ATOM 0 HG2 GLU A 18 2.820 2.784 -7.448 1.00 54.22 H new ATOM 0 HG3 GLU A 18 3.399 2.812 -5.795 1.00 54.22 H new ATOM 270 N GLY A 19 5.969 -0.140 -9.194 1.00 31.42 N ATOM 271 CA GLY A 19 6.903 -1.123 -9.721 1.00 11.33 C ATOM 272 C GLY A 19 8.203 -1.235 -8.933 1.00 5.43 C ATOM 273 O GLY A 19 9.284 -1.047 -9.487 1.00 60.40 O ATOM 0 H GLY A 19 5.899 0.717 -9.743 1.00 31.42 H new ATOM 0 HA2 GLY A 19 6.416 -2.098 -9.737 1.00 11.33 H new ATOM 0 HA3 GLY A 19 7.138 -0.867 -10.754 1.00 11.33 H new ATOM 277 N THR A 20 8.106 -1.558 -7.653 1.00 71.44 N ATOM 278 CA THR A 20 9.291 -1.769 -6.838 1.00 33.52 C ATOM 279 C THR A 20 9.543 -3.273 -6.616 1.00 31.43 C ATOM 280 O THR A 20 10.575 -3.795 -7.033 1.00 42.34 O ATOM 281 CB THR A 20 9.216 -0.982 -5.501 1.00 74.14 C ATOM 282 OG1 THR A 20 10.367 -1.245 -4.692 1.00 75.13 O ATOM 283 CG2 THR A 20 7.951 -1.304 -4.722 1.00 61.41 C ATOM 0 H THR A 20 7.222 -1.679 -7.158 1.00 71.44 H new ATOM 0 HA THR A 20 10.148 -1.372 -7.382 1.00 33.52 H new ATOM 0 HB THR A 20 9.192 0.078 -5.756 1.00 74.14 H new ATOM 0 HG1 THR A 20 10.301 -0.739 -3.855 1.00 75.13 H new ATOM 0 HG21 THR A 20 7.940 -0.732 -3.794 1.00 61.41 H new ATOM 0 HG22 THR A 20 7.079 -1.042 -5.321 1.00 61.41 H new ATOM 0 HG23 THR A 20 7.927 -2.369 -4.492 1.00 61.41 H new ATOM 291 N ASN A 21 8.589 -3.976 -6.003 1.00 11.35 N ATOM 292 CA ASN A 21 8.707 -5.429 -5.795 1.00 12.12 C ATOM 293 C ASN A 21 7.333 -6.043 -5.509 1.00 1.02 C ATOM 294 O ASN A 21 7.172 -7.257 -5.439 1.00 64.41 O ATOM 295 CB ASN A 21 9.669 -5.722 -4.629 1.00 61.34 C ATOM 296 CG ASN A 21 10.003 -7.198 -4.475 1.00 51.43 C ATOM 297 OD1 ASN A 21 10.943 -7.701 -5.094 1.00 34.11 O ATOM 298 ND2 ASN A 21 9.258 -7.896 -3.630 1.00 71.52 N ATOM 0 H ASN A 21 7.727 -3.569 -5.641 1.00 11.35 H new ATOM 0 HA ASN A 21 9.106 -5.877 -6.705 1.00 12.12 H new ATOM 0 HB2 ASN A 21 10.592 -5.163 -4.781 1.00 61.34 H new ATOM 0 HB3 ASN A 21 9.225 -5.359 -3.702 1.00 61.34 H new ATOM 0 HD21 ASN A 21 9.454 -8.885 -3.474 1.00 71.52 H new ATOM 0 HD22 ASN A 21 8.488 -7.445 -3.136 1.00 71.52 H new ATOM 305 N TYR A 22 6.335 -5.184 -5.399 1.00 11.11 N ATOM 306 CA TYR A 22 5.002 -5.572 -4.947 1.00 71.43 C ATOM 307 C TYR A 22 4.147 -6.141 -6.072 1.00 45.02 C ATOM 308 O TYR A 22 2.928 -6.235 -5.946 1.00 60.25 O ATOM 309 CB TYR A 22 4.328 -4.391 -4.260 1.00 33.11 C ATOM 310 CG TYR A 22 4.997 -4.066 -2.948 1.00 64.54 C ATOM 311 CD1 TYR A 22 4.790 -4.874 -1.840 1.00 2.53 C ATOM 312 CD2 TYR A 22 5.856 -2.984 -2.822 1.00 22.14 C ATOM 313 CE1 TYR A 22 5.421 -4.614 -0.641 1.00 33.22 C ATOM 314 CE2 TYR A 22 6.487 -2.713 -1.623 1.00 11.21 C ATOM 315 CZ TYR A 22 6.267 -3.532 -0.537 1.00 35.43 C ATOM 316 OH TYR A 22 6.902 -3.274 0.654 1.00 24.01 O ATOM 0 H TYR A 22 6.422 -4.192 -5.621 1.00 11.11 H new ATOM 0 HA TYR A 22 5.112 -6.380 -4.224 1.00 71.43 H new ATOM 0 HB2 TYR A 22 4.362 -3.519 -4.914 1.00 33.11 H new ATOM 0 HB3 TYR A 22 3.276 -4.620 -4.088 1.00 33.11 H new ATOM 0 HD1 TYR A 22 4.124 -5.721 -1.917 1.00 2.53 H new ATOM 0 HD2 TYR A 22 6.034 -2.344 -3.674 1.00 22.14 H new ATOM 0 HE1 TYR A 22 5.253 -5.255 0.211 1.00 33.22 H new ATOM 0 HE2 TYR A 22 7.149 -1.864 -1.538 1.00 11.21 H new ATOM 0 HH TYR A 22 6.478 -2.506 1.091 1.00 24.01 H new ATOM 326 N ARG A 23 4.804 -6.494 -7.174 1.00 12.31 N ATOM 327 CA ARG A 23 4.155 -7.018 -8.384 1.00 12.50 C ATOM 328 C ARG A 23 3.079 -8.080 -8.097 1.00 74.20 C ATOM 329 O ARG A 23 2.177 -8.282 -8.910 1.00 41.34 O ATOM 330 CB ARG A 23 5.209 -7.621 -9.314 1.00 34.24 C ATOM 331 CG ARG A 23 6.327 -6.660 -9.685 1.00 43.40 C ATOM 332 CD ARG A 23 7.381 -7.346 -10.538 1.00 62.44 C ATOM 333 NE ARG A 23 8.513 -6.470 -10.836 1.00 50.41 N ATOM 334 CZ ARG A 23 9.626 -6.871 -11.452 1.00 61.13 C ATOM 335 NH1 ARG A 23 9.753 -8.128 -11.858 1.00 31.55 N ATOM 336 NH2 ARG A 23 10.604 -6.004 -11.668 1.00 33.41 N ATOM 0 H ARG A 23 5.818 -6.425 -7.258 1.00 12.31 H new ATOM 0 HA ARG A 23 3.653 -6.171 -8.852 1.00 12.50 H new ATOM 0 HB2 ARG A 23 5.642 -8.499 -8.835 1.00 34.24 H new ATOM 0 HB3 ARG A 23 4.721 -7.964 -10.226 1.00 34.24 H new ATOM 0 HG2 ARG A 23 5.914 -5.809 -10.227 1.00 43.40 H new ATOM 0 HG3 ARG A 23 6.788 -6.267 -8.779 1.00 43.40 H new ATOM 0 HD2 ARG A 23 7.740 -8.236 -10.021 1.00 62.44 H new ATOM 0 HD3 ARG A 23 6.928 -7.680 -11.471 1.00 62.44 H new ATOM 0 HE ARG A 23 8.448 -5.492 -10.555 1.00 50.41 H new ATOM 0 HH11 ARG A 23 8.997 -8.794 -11.700 1.00 31.55 H new ATOM 0 HH12 ARG A 23 10.607 -8.428 -12.328 1.00 31.55 H new ATOM 0 HH21 ARG A 23 10.504 -5.036 -11.364 1.00 33.41 H new ATOM 0 HH22 ARG A 23 11.458 -6.305 -12.139 1.00 33.41 H new ATOM 350 N ILE A 24 3.170 -8.745 -6.951 1.00 52.30 N ATOM 351 CA ILE A 24 2.244 -9.824 -6.609 1.00 10.02 C ATOM 352 C ILE A 24 0.876 -9.306 -6.141 1.00 24.34 C ATOM 353 O ILE A 24 -0.036 -10.097 -5.898 1.00 4.21 O ATOM 354 CB ILE A 24 2.837 -10.733 -5.515 1.00 33.24 C ATOM 355 CG1 ILE A 24 3.154 -9.922 -4.253 1.00 31.42 C ATOM 356 CG2 ILE A 24 4.085 -11.429 -6.038 1.00 11.42 C ATOM 357 CD1 ILE A 24 3.619 -10.766 -3.086 1.00 61.23 C ATOM 0 H ILE A 24 3.877 -8.557 -6.240 1.00 52.30 H new ATOM 0 HA ILE A 24 2.095 -10.394 -7.526 1.00 10.02 H new ATOM 0 HB ILE A 24 2.100 -11.492 -5.251 1.00 33.24 H new ATOM 0 HG12 ILE A 24 3.924 -9.188 -4.488 1.00 31.42 H new ATOM 0 HG13 ILE A 24 2.264 -9.367 -3.956 1.00 31.42 H new ATOM 0 HG21 ILE A 24 4.498 -12.070 -5.259 1.00 11.42 H new ATOM 0 HG22 ILE A 24 3.827 -12.035 -6.907 1.00 11.42 H new ATOM 0 HG23 ILE A 24 4.825 -10.682 -6.324 1.00 11.42 H new ATOM 0 HD11 ILE A 24 3.824 -10.123 -2.230 1.00 61.23 H new ATOM 0 HD12 ILE A 24 2.841 -11.483 -2.823 1.00 61.23 H new ATOM 0 HD13 ILE A 24 4.527 -11.301 -3.363 1.00 61.23 H new ATOM 369 N ILE A 25 0.741 -7.992 -5.999 1.00 21.00 N ATOM 370 CA ILE A 25 -0.535 -7.386 -5.614 1.00 53.40 C ATOM 371 C ILE A 25 -1.348 -7.059 -6.878 1.00 55.25 C ATOM 372 O ILE A 25 -0.803 -7.078 -7.983 1.00 1.33 O ATOM 373 CB ILE A 25 -0.301 -6.114 -4.755 1.00 42.13 C ATOM 374 CG1 ILE A 25 0.618 -6.439 -3.573 1.00 74.41 C ATOM 375 CG2 ILE A 25 -1.609 -5.522 -4.257 1.00 31.04 C ATOM 376 CD1 ILE A 25 0.970 -5.234 -2.727 1.00 34.01 C ATOM 0 H ILE A 25 1.498 -7.323 -6.144 1.00 21.00 H new ATOM 0 HA ILE A 25 -1.100 -8.093 -5.006 1.00 53.40 H new ATOM 0 HB ILE A 25 0.177 -5.368 -5.390 1.00 42.13 H new ATOM 0 HG12 ILE A 25 0.135 -7.186 -2.943 1.00 74.41 H new ATOM 0 HG13 ILE A 25 1.537 -6.887 -3.951 1.00 74.41 H new ATOM 0 HG21 ILE A 25 -1.402 -4.634 -3.660 1.00 31.04 H new ATOM 0 HG22 ILE A 25 -2.233 -5.250 -5.108 1.00 31.04 H new ATOM 0 HG23 ILE A 25 -2.131 -6.257 -3.645 1.00 31.04 H new ATOM 0 HD11 ILE A 25 1.623 -5.541 -1.910 1.00 34.01 H new ATOM 0 HD12 ILE A 25 1.482 -4.495 -3.342 1.00 34.01 H new ATOM 0 HD13 ILE A 25 0.059 -4.797 -2.319 1.00 34.01 H new ATOM 388 N GLY A 26 -2.630 -6.737 -6.729 1.00 3.52 N ATOM 389 CA GLY A 26 -3.491 -6.570 -7.878 1.00 40.12 C ATOM 390 C GLY A 26 -4.596 -5.581 -7.600 1.00 73.14 C ATOM 391 O GLY A 26 -4.714 -5.076 -6.484 1.00 50.15 O ATOM 0 H GLY A 26 -3.085 -6.589 -5.828 1.00 3.52 H new ATOM 0 HA2 GLY A 26 -2.902 -6.229 -8.729 1.00 40.12 H new ATOM 0 HA3 GLY A 26 -3.923 -7.532 -8.154 1.00 40.12 H new ATOM 395 N ALA A 27 -5.408 -5.294 -8.602 1.00 54.11 N ATOM 396 CA ALA A 27 -6.458 -4.305 -8.448 1.00 74.23 C ATOM 397 C ALA A 27 -7.778 -4.966 -8.084 1.00 25.35 C ATOM 398 O ALA A 27 -8.524 -5.402 -8.960 1.00 42.42 O ATOM 399 CB ALA A 27 -6.602 -3.481 -9.719 1.00 45.30 C ATOM 0 H ALA A 27 -5.361 -5.728 -9.524 1.00 54.11 H new ATOM 0 HA ALA A 27 -6.180 -3.637 -7.632 1.00 74.23 H new ATOM 0 HB1 ALA A 27 -7.394 -2.744 -9.587 1.00 45.30 H new ATOM 0 HB2 ALA A 27 -5.662 -2.970 -9.930 1.00 45.30 H new ATOM 0 HB3 ALA A 27 -6.853 -4.138 -10.552 1.00 45.30 H new ATOM 405 N LEU A 28 -8.045 -5.051 -6.786 1.00 53.52 N ATOM 406 CA LEU A 28 -9.320 -5.560 -6.293 1.00 45.03 C ATOM 407 C LEU A 28 -9.444 -5.349 -4.779 1.00 52.41 C ATOM 408 O LEU A 28 -9.506 -6.310 -4.013 1.00 4.54 O ATOM 409 CB LEU A 28 -9.481 -7.047 -6.631 1.00 61.14 C ATOM 410 CG LEU A 28 -10.845 -7.652 -6.284 1.00 2.24 C ATOM 411 CD1 LEU A 28 -11.954 -6.934 -7.035 1.00 35.41 C ATOM 412 CD2 LEU A 28 -10.861 -9.137 -6.598 1.00 64.41 C ATOM 0 H LEU A 28 -7.393 -4.773 -6.053 1.00 53.52 H new ATOM 0 HA LEU A 28 -10.115 -5.002 -6.788 1.00 45.03 H new ATOM 0 HB2 LEU A 28 -9.303 -7.182 -7.698 1.00 61.14 H new ATOM 0 HB3 LEU A 28 -8.708 -7.608 -6.105 1.00 61.14 H new ATOM 0 HG LEU A 28 -11.018 -7.524 -5.215 1.00 2.24 H new ATOM 0 HD11 LEU A 28 -12.915 -7.378 -6.776 1.00 35.41 H new ATOM 0 HD12 LEU A 28 -11.955 -5.879 -6.761 1.00 35.41 H new ATOM 0 HD13 LEU A 28 -11.788 -7.030 -8.108 1.00 35.41 H new ATOM 0 HD21 LEU A 28 -11.837 -9.552 -6.346 1.00 64.41 H new ATOM 0 HD22 LEU A 28 -10.667 -9.286 -7.660 1.00 64.41 H new ATOM 0 HD23 LEU A 28 -10.091 -9.641 -6.014 1.00 64.41 H new ATOM 424 N PRO A 29 -9.442 -4.087 -4.316 1.00 70.25 N ATOM 425 CA PRO A 29 -9.705 -3.783 -2.918 1.00 33.33 C ATOM 426 C PRO A 29 -11.203 -3.728 -2.626 1.00 54.41 C ATOM 427 O PRO A 29 -11.651 -4.209 -1.584 1.00 14.34 O ATOM 428 CB PRO A 29 -9.060 -2.412 -2.726 1.00 21.54 C ATOM 429 CG PRO A 29 -9.115 -1.765 -4.069 1.00 33.23 C ATOM 430 CD PRO A 29 -9.154 -2.871 -5.098 1.00 51.31 C ATOM 0 HA PRO A 29 -9.309 -4.542 -2.243 1.00 33.33 H new ATOM 0 HB2 PRO A 29 -9.598 -1.824 -1.983 1.00 21.54 H new ATOM 0 HB3 PRO A 29 -8.032 -2.506 -2.375 1.00 21.54 H new ATOM 0 HG2 PRO A 29 -9.997 -1.130 -4.154 1.00 33.23 H new ATOM 0 HG3 PRO A 29 -8.246 -1.126 -4.224 1.00 33.23 H new ATOM 0 HD2 PRO A 29 -9.924 -2.689 -5.848 1.00 51.31 H new ATOM 0 HD3 PRO A 29 -8.205 -2.955 -5.628 1.00 51.31 H new ATOM 438 N GLN A 30 -11.958 -3.130 -3.567 1.00 15.51 N ATOM 439 CA GLN A 30 -13.425 -2.991 -3.508 1.00 24.40 C ATOM 440 C GLN A 30 -13.934 -2.544 -2.135 1.00 52.25 C ATOM 441 O GLN A 30 -15.088 -2.791 -1.782 1.00 31.33 O ATOM 442 CB GLN A 30 -14.127 -4.286 -3.960 1.00 64.34 C ATOM 443 CG GLN A 30 -13.908 -5.489 -3.054 1.00 43.31 C ATOM 444 CD GLN A 30 -14.569 -6.749 -3.581 1.00 52.41 C ATOM 445 OE1 GLN A 30 -15.674 -6.595 -4.296 1.00 54.45 O flip ATOM 446 NE2 GLN A 30 -14.091 -7.859 -3.348 1.00 63.04 N flip ATOM 0 H GLN A 30 -11.555 -2.720 -4.410 1.00 15.51 H new ATOM 0 HA GLN A 30 -13.681 -2.194 -4.206 1.00 24.40 H new ATOM 0 HB2 GLN A 30 -15.198 -4.095 -4.031 1.00 64.34 H new ATOM 0 HB3 GLN A 30 -13.781 -4.538 -4.962 1.00 64.34 H new ATOM 0 HG2 GLN A 30 -12.838 -5.665 -2.943 1.00 43.31 H new ATOM 0 HG3 GLN A 30 -14.299 -5.267 -2.061 1.00 43.31 H new ATOM 0 HE21 GLN A 30 -13.239 -7.941 -2.794 1.00 63.04 H new ATOM 0 HE22 GLN A 30 -14.547 -8.697 -3.709 1.00 63.04 H new ATOM 455 N GLY A 31 -13.079 -1.853 -1.381 1.00 73.14 N ATOM 456 CA GLY A 31 -13.443 -1.395 -0.049 1.00 23.52 C ATOM 457 C GLY A 31 -13.767 -2.541 0.895 1.00 71.42 C ATOM 458 O GLY A 31 -14.415 -2.344 1.925 1.00 55.34 O ATOM 0 H GLY A 31 -12.134 -1.601 -1.672 1.00 73.14 H new ATOM 0 HA2 GLY A 31 -12.624 -0.808 0.366 1.00 23.52 H new ATOM 0 HA3 GLY A 31 -14.306 -0.733 -0.120 1.00 23.52 H new ATOM 462 N GLN A 32 -13.305 -3.734 0.547 1.00 72.13 N ATOM 463 CA GLN A 32 -13.612 -4.934 1.310 1.00 30.40 C ATOM 464 C GLN A 32 -12.675 -5.052 2.504 1.00 55.45 C ATOM 465 O GLN A 32 -13.124 -5.089 3.648 1.00 60.44 O ATOM 466 CB GLN A 32 -13.515 -6.171 0.401 1.00 32.33 C ATOM 467 CG GLN A 32 -14.099 -7.450 0.991 1.00 23.01 C ATOM 468 CD GLN A 32 -13.081 -8.279 1.755 1.00 54.54 C ATOM 469 OE1 GLN A 32 -12.909 -8.119 2.960 1.00 34.34 O ATOM 470 NE2 GLN A 32 -12.404 -9.172 1.051 1.00 40.35 N ATOM 0 H GLN A 32 -12.711 -3.896 -0.266 1.00 72.13 H new ATOM 0 HA GLN A 32 -14.632 -4.869 1.690 1.00 30.40 H new ATOM 0 HB2 GLN A 32 -14.026 -5.955 -0.537 1.00 32.33 H new ATOM 0 HB3 GLN A 32 -12.466 -6.345 0.160 1.00 32.33 H new ATOM 0 HG2 GLN A 32 -14.921 -7.192 1.658 1.00 23.01 H new ATOM 0 HG3 GLN A 32 -14.519 -8.054 0.187 1.00 23.01 H new ATOM 0 HE21 GLN A 32 -12.579 -9.272 0.051 1.00 40.35 H new ATOM 0 HE22 GLN A 32 -11.708 -9.760 1.508 1.00 40.35 H new ATOM 479 N LYS A 33 -11.374 -5.080 2.244 1.00 3.24 N ATOM 480 CA LYS A 33 -10.406 -5.252 3.319 1.00 33.43 C ATOM 481 C LYS A 33 -9.142 -4.434 3.078 1.00 25.51 C ATOM 482 O LYS A 33 -8.899 -3.450 3.772 1.00 2.31 O ATOM 483 CB LYS A 33 -10.059 -6.732 3.482 1.00 5.54 C ATOM 484 CG LYS A 33 -9.136 -7.023 4.654 1.00 64.52 C ATOM 485 CD LYS A 33 -9.065 -8.513 4.947 1.00 62.34 C ATOM 486 CE LYS A 33 -10.439 -9.075 5.293 1.00 1.50 C ATOM 487 NZ LYS A 33 -10.978 -8.495 6.555 1.00 32.41 N ATOM 0 H LYS A 33 -10.969 -4.987 1.312 1.00 3.24 H new ATOM 0 HA LYS A 33 -10.862 -4.887 4.239 1.00 33.43 H new ATOM 0 HB2 LYS A 33 -10.981 -7.299 3.609 1.00 5.54 H new ATOM 0 HB3 LYS A 33 -9.589 -7.088 2.565 1.00 5.54 H new ATOM 0 HG2 LYS A 33 -8.137 -6.646 4.435 1.00 64.52 H new ATOM 0 HG3 LYS A 33 -9.490 -6.493 5.538 1.00 64.52 H new ATOM 0 HD2 LYS A 33 -8.663 -9.038 4.080 1.00 62.34 H new ATOM 0 HD3 LYS A 33 -8.378 -8.691 5.774 1.00 62.34 H new ATOM 0 HE2 LYS A 33 -11.131 -8.870 4.476 1.00 1.50 H new ATOM 0 HE3 LYS A 33 -10.373 -10.159 5.391 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 -11.846 -8.999 6.826 1.00 32.41 H new ATOM 0 HZ2 LYS A 33 -10.271 -8.592 7.312 1.00 32.41 H new ATOM 0 HZ3 LYS A 33 -11.193 -7.488 6.410 1.00 32.41 H new ATOM 501 N VAL A 34 -8.345 -4.846 2.095 1.00 13.14 N ATOM 502 CA VAL A 34 -7.063 -4.202 1.829 1.00 5.24 C ATOM 503 C VAL A 34 -7.246 -2.756 1.356 1.00 12.23 C ATOM 504 O VAL A 34 -7.603 -2.491 0.208 1.00 25.24 O ATOM 505 CB VAL A 34 -6.212 -5.015 0.811 1.00 51.55 C ATOM 506 CG1 VAL A 34 -6.995 -5.323 -0.461 1.00 20.41 C ATOM 507 CG2 VAL A 34 -4.912 -4.287 0.485 1.00 62.41 C ATOM 0 H VAL A 34 -8.565 -5.622 1.471 1.00 13.14 H new ATOM 0 HA VAL A 34 -6.518 -4.178 2.772 1.00 5.24 H new ATOM 0 HB VAL A 34 -5.964 -5.967 1.281 1.00 51.55 H new ATOM 0 HG11 VAL A 34 -6.367 -5.892 -1.146 1.00 20.41 H new ATOM 0 HG12 VAL A 34 -7.880 -5.908 -0.211 1.00 20.41 H new ATOM 0 HG13 VAL A 34 -7.299 -4.390 -0.936 1.00 20.41 H new ATOM 0 HG21 VAL A 34 -4.335 -4.875 -0.228 1.00 62.41 H new ATOM 0 HG22 VAL A 34 -5.139 -3.313 0.052 1.00 62.41 H new ATOM 0 HG23 VAL A 34 -4.332 -4.152 1.398 1.00 62.41 H new ATOM 517 N GLN A 35 -7.044 -1.826 2.280 1.00 12.01 N ATOM 518 CA GLN A 35 -7.109 -0.404 1.979 1.00 72.23 C ATOM 519 C GLN A 35 -6.001 0.329 2.727 1.00 71.33 C ATOM 520 O GLN A 35 -5.223 -0.290 3.457 1.00 72.31 O ATOM 521 CB GLN A 35 -8.478 0.184 2.352 1.00 25.44 C ATOM 522 CG GLN A 35 -9.639 -0.417 1.573 1.00 62.25 C ATOM 523 CD GLN A 35 -10.956 0.271 1.863 1.00 61.21 C ATOM 524 OE1 GLN A 35 -11.348 1.212 1.170 1.00 25.41 O ATOM 525 NE2 GLN A 35 -11.645 -0.191 2.893 1.00 30.54 N ATOM 0 H GLN A 35 -6.831 -2.036 3.255 1.00 12.01 H new ATOM 0 HA GLN A 35 -6.972 -0.274 0.905 1.00 72.23 H new ATOM 0 HB2 GLN A 35 -8.650 0.031 3.417 1.00 25.44 H new ATOM 0 HB3 GLN A 35 -8.458 1.261 2.183 1.00 25.44 H new ATOM 0 HG2 GLN A 35 -9.427 -0.352 0.506 1.00 62.25 H new ATOM 0 HG3 GLN A 35 -9.725 -1.476 1.817 1.00 62.25 H new ATOM 0 HE21 GLN A 35 -11.283 -0.972 3.440 1.00 30.54 H new ATOM 0 HE22 GLN A 35 -12.539 0.234 3.141 1.00 30.54 H new ATOM 534 N VAL A 36 -5.942 1.641 2.558 1.00 74.15 N ATOM 535 CA VAL A 36 -4.870 2.437 3.139 1.00 34.34 C ATOM 536 C VAL A 36 -5.066 2.647 4.638 1.00 41.35 C ATOM 537 O VAL A 36 -6.185 2.860 5.113 1.00 62.32 O ATOM 538 CB VAL A 36 -4.737 3.805 2.435 1.00 32.31 C ATOM 539 CG1 VAL A 36 -4.361 3.613 0.978 1.00 54.22 C ATOM 540 CG2 VAL A 36 -6.023 4.614 2.551 1.00 50.10 C ATOM 0 H VAL A 36 -6.624 2.178 2.023 1.00 74.15 H new ATOM 0 HA VAL A 36 -3.949 1.873 2.989 1.00 34.34 H new ATOM 0 HB VAL A 36 -3.945 4.364 2.933 1.00 32.31 H new ATOM 0 HG11 VAL A 36 -4.271 4.586 0.494 1.00 54.22 H new ATOM 0 HG12 VAL A 36 -3.409 3.086 0.914 1.00 54.22 H new ATOM 0 HG13 VAL A 36 -5.133 3.029 0.477 1.00 54.22 H new ATOM 0 HG21 VAL A 36 -5.897 5.572 2.046 1.00 50.10 H new ATOM 0 HG22 VAL A 36 -6.842 4.064 2.088 1.00 50.10 H new ATOM 0 HG23 VAL A 36 -6.251 4.786 3.603 1.00 50.10 H new ATOM 550 N ILE A 37 -3.972 2.550 5.379 1.00 64.05 N ATOM 551 CA ILE A 37 -3.982 2.831 6.809 1.00 30.34 C ATOM 552 C ILE A 37 -3.501 4.257 7.063 1.00 34.15 C ATOM 553 O ILE A 37 -4.197 5.058 7.683 1.00 41.10 O ATOM 554 CB ILE A 37 -3.094 1.835 7.594 1.00 43.11 C ATOM 555 CG1 ILE A 37 -3.531 0.394 7.317 1.00 44.33 C ATOM 556 CG2 ILE A 37 -3.149 2.124 9.088 1.00 33.11 C ATOM 557 CD1 ILE A 37 -2.375 -0.563 7.104 1.00 63.51 C ATOM 0 H ILE A 37 -3.060 2.277 5.012 1.00 64.05 H new ATOM 0 HA ILE A 37 -5.007 2.719 7.161 1.00 30.34 H new ATOM 0 HB ILE A 37 -2.065 1.959 7.257 1.00 43.11 H new ATOM 0 HG12 ILE A 37 -4.135 0.040 8.152 1.00 44.33 H new ATOM 0 HG13 ILE A 37 -4.170 0.381 6.434 1.00 44.33 H new ATOM 0 HG21 ILE A 37 -2.518 1.412 9.620 1.00 33.11 H new ATOM 0 HG22 ILE A 37 -2.792 3.137 9.276 1.00 33.11 H new ATOM 0 HG23 ILE A 37 -4.177 2.031 9.439 1.00 33.11 H new ATOM 0 HD11 ILE A 37 -2.762 -1.564 6.913 1.00 63.51 H new ATOM 0 HD12 ILE A 37 -1.783 -0.234 6.250 1.00 63.51 H new ATOM 0 HD13 ILE A 37 -1.748 -0.580 7.995 1.00 63.51 H new ATOM 569 N SER A 38 -2.314 4.568 6.558 1.00 44.42 N ATOM 570 CA SER A 38 -1.757 5.906 6.683 1.00 43.30 C ATOM 571 C SER A 38 -0.678 6.118 5.638 1.00 74.31 C ATOM 572 O SER A 38 -0.066 5.161 5.162 1.00 20.45 O ATOM 573 CB SER A 38 -1.193 6.131 8.089 1.00 60.32 C ATOM 574 OG SER A 38 -0.718 7.458 8.253 1.00 53.03 O ATOM 0 H SER A 38 -1.718 3.909 6.057 1.00 44.42 H new ATOM 0 HA SER A 38 -2.554 6.631 6.519 1.00 43.30 H new ATOM 0 HB2 SER A 38 -1.966 5.926 8.829 1.00 60.32 H new ATOM 0 HB3 SER A 38 -0.381 5.427 8.273 1.00 60.32 H new ATOM 0 HG SER A 38 -0.366 7.570 9.161 1.00 53.03 H new ATOM 580 N GLU A 39 -0.449 7.371 5.290 1.00 30.04 N ATOM 581 CA GLU A 39 0.472 7.709 4.214 1.00 13.34 C ATOM 582 C GLU A 39 1.765 8.300 4.769 1.00 42.10 C ATOM 583 O GLU A 39 1.774 8.880 5.856 1.00 22.13 O ATOM 584 CB GLU A 39 -0.171 8.705 3.243 1.00 24.05 C ATOM 585 CG GLU A 39 -1.551 8.301 2.736 1.00 74.14 C ATOM 586 CD GLU A 39 -2.674 8.753 3.653 1.00 52.43 C ATOM 587 OE1 GLU A 39 -3.016 9.954 3.626 1.00 24.14 O ATOM 588 OE2 GLU A 39 -3.216 7.917 4.404 1.00 22.55 O ATOM 0 H GLU A 39 -0.888 8.176 5.737 1.00 30.04 H new ATOM 0 HA GLU A 39 0.706 6.789 3.678 1.00 13.34 H new ATOM 0 HB2 GLU A 39 -0.250 9.674 3.737 1.00 24.05 H new ATOM 0 HB3 GLU A 39 0.491 8.836 2.387 1.00 24.05 H new ATOM 0 HG2 GLU A 39 -1.706 8.725 1.744 1.00 74.14 H new ATOM 0 HG3 GLU A 39 -1.590 7.217 2.629 1.00 74.14 H new ATOM 595 N ASN A 40 2.851 8.140 4.020 1.00 45.32 N ATOM 596 CA ASN A 40 4.143 8.716 4.380 1.00 14.41 C ATOM 597 C ASN A 40 5.128 8.573 3.225 1.00 12.41 C ATOM 598 O ASN A 40 5.255 7.494 2.642 1.00 43.05 O ATOM 599 CB ASN A 40 4.721 8.036 5.626 1.00 14.53 C ATOM 600 CG ASN A 40 6.057 8.622 6.042 1.00 35.41 C ATOM 601 OD1 ASN A 40 7.118 8.162 5.610 1.00 40.21 O ATOM 602 ND2 ASN A 40 6.017 9.636 6.890 1.00 15.44 N ATOM 0 H ASN A 40 2.861 7.609 3.149 1.00 45.32 H new ATOM 0 HA ASN A 40 3.987 9.773 4.597 1.00 14.41 H new ATOM 0 HB2 ASN A 40 4.014 8.133 6.450 1.00 14.53 H new ATOM 0 HB3 ASN A 40 4.840 6.970 5.432 1.00 14.53 H new ATOM 0 HD21 ASN A 40 6.884 10.067 7.211 1.00 15.44 H new ATOM 0 HD22 ASN A 40 5.119 9.987 7.223 1.00 15.44 H new ATOM 609 N SER A 41 5.793 9.674 2.885 1.00 1.32 N ATOM 610 CA SER A 41 6.845 9.683 1.868 1.00 54.42 C ATOM 611 C SER A 41 6.270 9.453 0.466 1.00 71.14 C ATOM 612 O SER A 41 7.002 9.138 -0.475 1.00 12.34 O ATOM 613 CB SER A 41 7.917 8.632 2.203 1.00 4.43 C ATOM 614 OG SER A 41 8.985 8.660 1.271 1.00 63.22 O ATOM 0 H SER A 41 5.619 10.587 3.306 1.00 1.32 H new ATOM 0 HA SER A 41 7.311 10.668 1.870 1.00 54.42 H new ATOM 0 HB2 SER A 41 8.304 8.813 3.206 1.00 4.43 H new ATOM 0 HB3 SER A 41 7.465 7.640 2.210 1.00 4.43 H new ATOM 0 HG SER A 41 8.633 8.849 0.376 1.00 63.22 H new ATOM 620 N GLY A 42 4.964 9.639 0.323 1.00 13.44 N ATOM 621 CA GLY A 42 4.327 9.454 -0.967 1.00 12.45 C ATOM 622 C GLY A 42 3.640 8.109 -1.074 1.00 74.22 C ATOM 623 O GLY A 42 2.776 7.905 -1.932 1.00 32.33 O ATOM 0 H GLY A 42 4.334 9.915 1.077 1.00 13.44 H new ATOM 0 HA2 GLY A 42 3.597 10.247 -1.128 1.00 12.45 H new ATOM 0 HA3 GLY A 42 5.074 9.543 -1.756 1.00 12.45 H new ATOM 627 N TRP A 43 4.025 7.189 -0.201 1.00 72.51 N ATOM 628 CA TRP A 43 3.431 5.864 -0.174 1.00 51.23 C ATOM 629 C TRP A 43 2.493 5.725 1.015 1.00 4.33 C ATOM 630 O TRP A 43 2.600 6.461 1.990 1.00 44.33 O ATOM 631 CB TRP A 43 4.511 4.778 -0.133 1.00 21.11 C ATOM 632 CG TRP A 43 5.106 4.461 -1.478 1.00 73.11 C ATOM 633 CD1 TRP A 43 4.718 4.957 -2.691 1.00 53.32 C ATOM 634 CD2 TRP A 43 6.185 3.561 -1.743 1.00 23.01 C ATOM 635 NE1 TRP A 43 5.489 4.416 -3.692 1.00 42.10 N ATOM 636 CE2 TRP A 43 6.398 3.558 -3.135 1.00 74.35 C ATOM 637 CE3 TRP A 43 6.992 2.759 -0.937 1.00 65.13 C ATOM 638 CZ2 TRP A 43 7.384 2.780 -3.735 1.00 4.12 C ATOM 639 CZ3 TRP A 43 7.971 1.987 -1.534 1.00 32.33 C ATOM 640 CH2 TRP A 43 8.159 2.004 -2.920 1.00 32.22 C ATOM 0 H TRP A 43 4.750 7.339 0.501 1.00 72.51 H new ATOM 0 HA TRP A 43 2.855 5.734 -1.090 1.00 51.23 H new ATOM 0 HB2 TRP A 43 5.307 5.096 0.540 1.00 21.11 H new ATOM 0 HB3 TRP A 43 4.082 3.868 0.288 1.00 21.11 H new ATOM 0 HD1 TRP A 43 3.921 5.670 -2.841 1.00 53.32 H new ATOM 0 HE1 TRP A 43 5.398 4.621 -4.687 1.00 42.10 H new ATOM 0 HE3 TRP A 43 6.855 2.741 0.134 1.00 65.13 H new ATOM 0 HZ2 TRP A 43 7.531 2.789 -4.805 1.00 4.12 H new ATOM 0 HZ3 TRP A 43 8.601 1.360 -0.920 1.00 32.33 H new ATOM 0 HH2 TRP A 43 8.934 1.390 -3.355 1.00 32.22 H new ATOM 651 N SER A 44 1.567 4.793 0.913 1.00 53.25 N ATOM 652 CA SER A 44 0.593 4.557 1.959 1.00 23.11 C ATOM 653 C SER A 44 0.685 3.117 2.444 1.00 40.54 C ATOM 654 O SER A 44 1.005 2.208 1.671 1.00 63.33 O ATOM 655 CB SER A 44 -0.821 4.867 1.464 1.00 53.05 C ATOM 656 OG SER A 44 -1.755 4.830 2.531 1.00 33.33 O ATOM 0 H SER A 44 1.469 4.179 0.104 1.00 53.25 H new ATOM 0 HA SER A 44 0.813 5.223 2.793 1.00 23.11 H new ATOM 0 HB2 SER A 44 -0.838 5.851 0.996 1.00 53.05 H new ATOM 0 HB3 SER A 44 -1.109 4.145 0.700 1.00 53.05 H new ATOM 0 HG SER A 44 -1.276 4.847 3.386 1.00 33.33 H new ATOM 662 N LYS A 45 0.427 2.928 3.727 1.00 34.25 N ATOM 663 CA LYS A 45 0.546 1.626 4.363 1.00 24.11 C ATOM 664 C LYS A 45 -0.681 0.776 4.089 1.00 70.35 C ATOM 665 O LYS A 45 -1.808 1.182 4.381 1.00 22.50 O ATOM 666 CB LYS A 45 0.716 1.801 5.875 1.00 33.32 C ATOM 667 CG LYS A 45 1.987 1.180 6.426 1.00 72.31 C ATOM 668 CD LYS A 45 3.203 1.659 5.660 1.00 50.21 C ATOM 669 CE LYS A 45 3.298 3.173 5.637 1.00 1.54 C ATOM 670 NZ LYS A 45 3.786 3.721 6.928 1.00 1.14 N ATOM 0 H LYS A 45 0.129 3.672 4.357 1.00 34.25 H new ATOM 0 HA LYS A 45 1.419 1.122 3.949 1.00 24.11 H new ATOM 0 HB2 LYS A 45 0.711 2.865 6.111 1.00 33.32 H new ATOM 0 HB3 LYS A 45 -0.142 1.359 6.381 1.00 33.32 H new ATOM 0 HG2 LYS A 45 2.093 1.436 7.480 1.00 72.31 H new ATOM 0 HG3 LYS A 45 1.920 0.094 6.367 1.00 72.31 H new ATOM 0 HD2 LYS A 45 4.104 1.246 6.114 1.00 50.21 H new ATOM 0 HD3 LYS A 45 3.160 1.283 4.638 1.00 50.21 H new ATOM 0 HE2 LYS A 45 3.969 3.482 4.836 1.00 1.54 H new ATOM 0 HE3 LYS A 45 2.318 3.594 5.412 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 3.836 4.758 6.868 1.00 1.14 H new ATOM 0 HZ2 LYS A 45 3.132 3.449 7.690 1.00 1.14 H new ATOM 0 HZ3 LYS A 45 4.732 3.340 7.131 1.00 1.14 H new ATOM 684 N ILE A 46 -0.453 -0.392 3.513 1.00 45.15 N ATOM 685 CA ILE A 46 -1.520 -1.358 3.284 1.00 11.13 C ATOM 686 C ILE A 46 -1.067 -2.750 3.709 1.00 75.10 C ATOM 687 O ILE A 46 0.133 -3.028 3.780 1.00 22.13 O ATOM 688 CB ILE A 46 -1.969 -1.415 1.803 1.00 23.20 C ATOM 689 CG1 ILE A 46 -0.809 -1.856 0.907 1.00 30.10 C ATOM 690 CG2 ILE A 46 -2.510 -0.065 1.354 1.00 60.41 C ATOM 691 CD1 ILE A 46 -1.217 -2.134 -0.524 1.00 63.45 C ATOM 0 H ILE A 46 0.466 -0.698 3.193 1.00 45.15 H new ATOM 0 HA ILE A 46 -2.370 -1.028 3.882 1.00 11.13 H new ATOM 0 HB ILE A 46 -2.769 -2.150 1.715 1.00 23.20 H new ATOM 0 HG12 ILE A 46 -0.042 -1.081 0.913 1.00 30.10 H new ATOM 0 HG13 ILE A 46 -0.358 -2.754 1.328 1.00 30.10 H new ATOM 0 HG21 ILE A 46 -2.820 -0.126 0.311 1.00 60.41 H new ATOM 0 HG22 ILE A 46 -3.366 0.208 1.972 1.00 60.41 H new ATOM 0 HG23 ILE A 46 -1.732 0.691 1.458 1.00 60.41 H new ATOM 0 HD11 ILE A 46 -0.343 -2.441 -1.098 1.00 63.45 H new ATOM 0 HD12 ILE A 46 -1.961 -2.930 -0.542 1.00 63.45 H new ATOM 0 HD13 ILE A 46 -1.641 -1.231 -0.963 1.00 63.45 H new ATOM 703 N ASN A 47 -2.023 -3.612 4.011 1.00 24.40 N ATOM 704 CA ASN A 47 -1.723 -5.000 4.329 1.00 42.40 C ATOM 705 C ASN A 47 -2.323 -5.908 3.266 1.00 72.43 C ATOM 706 O ASN A 47 -3.543 -5.989 3.125 1.00 25.53 O ATOM 707 CB ASN A 47 -2.277 -5.379 5.707 1.00 31.55 C ATOM 708 CG ASN A 47 -1.956 -6.813 6.093 1.00 70.13 C ATOM 709 OD1 ASN A 47 -2.694 -7.742 5.757 1.00 1.55 O ATOM 710 ND2 ASN A 47 -0.866 -7.004 6.823 1.00 40.34 N ATOM 0 H ASN A 47 -3.015 -3.376 4.043 1.00 24.40 H new ATOM 0 HA ASN A 47 -0.640 -5.123 4.350 1.00 42.40 H new ATOM 0 HB2 ASN A 47 -1.866 -4.704 6.458 1.00 31.55 H new ATOM 0 HB3 ASN A 47 -3.358 -5.239 5.711 1.00 31.55 H new ATOM 0 HD21 ASN A 47 -0.614 -7.945 7.126 1.00 40.34 H new ATOM 0 HD22 ASN A 47 -0.280 -6.210 7.082 1.00 40.34 H new ATOM 717 N TYR A 48 -1.467 -6.589 2.522 1.00 22.41 N ATOM 718 CA TYR A 48 -1.920 -7.436 1.431 1.00 22.43 C ATOM 719 C TYR A 48 -1.657 -8.900 1.758 1.00 34.11 C ATOM 720 O TYR A 48 -0.508 -9.345 1.752 1.00 31.31 O ATOM 721 CB TYR A 48 -1.223 -7.044 0.120 1.00 65.22 C ATOM 722 CG TYR A 48 -1.801 -7.726 -1.104 1.00 21.20 C ATOM 723 CD1 TYR A 48 -2.988 -7.278 -1.671 1.00 25.52 C ATOM 724 CD2 TYR A 48 -1.170 -8.816 -1.689 1.00 53.52 C ATOM 725 CE1 TYR A 48 -3.528 -7.897 -2.781 1.00 72.23 C ATOM 726 CE2 TYR A 48 -1.703 -9.439 -2.802 1.00 22.11 C ATOM 727 CZ TYR A 48 -2.883 -8.977 -3.342 1.00 62.22 C ATOM 728 OH TYR A 48 -3.417 -9.590 -4.452 1.00 63.42 O ATOM 0 H TYR A 48 -0.456 -6.572 2.653 1.00 22.41 H new ATOM 0 HA TYR A 48 -2.993 -7.295 1.303 1.00 22.43 H new ATOM 0 HB2 TYR A 48 -1.293 -5.964 -0.010 1.00 65.22 H new ATOM 0 HB3 TYR A 48 -0.163 -7.288 0.195 1.00 65.22 H new ATOM 0 HD1 TYR A 48 -3.497 -6.431 -1.236 1.00 25.52 H new ATOM 0 HD2 TYR A 48 -0.246 -9.184 -1.267 1.00 53.52 H new ATOM 0 HE1 TYR A 48 -4.452 -7.536 -3.207 1.00 72.23 H new ATOM 0 HE2 TYR A 48 -1.197 -10.284 -3.246 1.00 22.11 H new ATOM 0 HH TYR A 48 -2.840 -10.334 -4.724 1.00 63.42 H new ATOM 738 N ASN A 49 -2.724 -9.626 2.080 1.00 24.32 N ATOM 739 CA ASN A 49 -2.648 -11.063 2.360 1.00 21.43 C ATOM 740 C ASN A 49 -1.732 -11.354 3.543 1.00 42.12 C ATOM 741 O ASN A 49 -1.050 -12.380 3.584 1.00 35.42 O ATOM 742 CB ASN A 49 -2.180 -11.832 1.117 1.00 51.12 C ATOM 743 CG ASN A 49 -3.278 -11.981 0.078 1.00 73.41 C ATOM 744 OD1 ASN A 49 -4.179 -11.145 -0.027 1.00 25.42 O ATOM 745 ND2 ASN A 49 -3.218 -13.047 -0.701 1.00 60.10 N ATOM 0 H ASN A 49 -3.665 -9.239 2.155 1.00 24.32 H new ATOM 0 HA ASN A 49 -3.650 -11.401 2.624 1.00 21.43 H new ATOM 0 HB2 ASN A 49 -1.331 -11.314 0.672 1.00 51.12 H new ATOM 0 HB3 ASN A 49 -1.830 -12.820 1.415 1.00 51.12 H new ATOM 0 HD21 ASN A 49 -3.930 -13.197 -1.415 1.00 60.10 H new ATOM 0 HD22 ASN A 49 -2.459 -13.719 -0.588 1.00 60.10 H new ATOM 752 N GLY A 50 -1.733 -10.451 4.516 1.00 11.44 N ATOM 753 CA GLY A 50 -0.942 -10.654 5.713 1.00 23.10 C ATOM 754 C GLY A 50 0.465 -10.110 5.589 1.00 21.42 C ATOM 755 O GLY A 50 1.245 -10.174 6.541 1.00 3.14 O ATOM 0 H GLY A 50 -2.267 -9.582 4.497 1.00 11.44 H new ATOM 0 HA2 GLY A 50 -1.439 -10.174 6.556 1.00 23.10 H new ATOM 0 HA3 GLY A 50 -0.896 -11.720 5.935 1.00 23.10 H new ATOM 759 N GLN A 51 0.800 -9.578 4.423 1.00 21.30 N ATOM 760 CA GLN A 51 2.122 -9.024 4.190 1.00 42.41 C ATOM 761 C GLN A 51 2.067 -7.504 4.158 1.00 44.23 C ATOM 762 O GLN A 51 1.019 -6.913 3.884 1.00 55.31 O ATOM 763 CB GLN A 51 2.689 -9.549 2.873 1.00 24.43 C ATOM 764 CG GLN A 51 4.205 -9.509 2.791 1.00 21.43 C ATOM 765 CD GLN A 51 4.870 -10.475 3.755 1.00 5.34 C ATOM 766 OE1 GLN A 51 4.231 -11.609 3.993 1.00 34.44 O flip ATOM 767 NE2 GLN A 51 5.959 -10.209 4.264 1.00 35.11 N flip ATOM 0 H GLN A 51 0.171 -9.519 3.622 1.00 21.30 H new ATOM 0 HA GLN A 51 2.773 -9.334 5.008 1.00 42.41 H new ATOM 0 HB2 GLN A 51 2.355 -10.577 2.730 1.00 24.43 H new ATOM 0 HB3 GLN A 51 2.276 -8.962 2.052 1.00 24.43 H new ATOM 0 HG2 GLN A 51 4.516 -9.746 1.774 1.00 21.43 H new ATOM 0 HG3 GLN A 51 4.550 -8.497 3.002 1.00 21.43 H new ATOM 0 HE21 GLN A 51 6.418 -9.323 4.053 1.00 35.11 H new ATOM 0 HE22 GLN A 51 6.403 -10.875 4.896 1.00 35.11 H new ATOM 776 N THR A 52 3.199 -6.885 4.435 1.00 43.10 N ATOM 777 CA THR A 52 3.316 -5.437 4.398 1.00 3.31 C ATOM 778 C THR A 52 3.407 -4.961 2.953 1.00 55.42 C ATOM 779 O THR A 52 4.216 -5.469 2.178 1.00 25.32 O ATOM 780 CB THR A 52 4.566 -4.963 5.165 1.00 53.22 C ATOM 781 OG1 THR A 52 4.597 -5.564 6.467 1.00 21.01 O ATOM 782 CG2 THR A 52 4.582 -3.446 5.300 1.00 64.11 C ATOM 0 H THR A 52 4.060 -7.368 4.691 1.00 43.10 H new ATOM 0 HA THR A 52 2.431 -5.015 4.874 1.00 3.31 H new ATOM 0 HB THR A 52 5.447 -5.268 4.601 1.00 53.22 H new ATOM 0 HG1 THR A 52 5.395 -5.260 6.949 1.00 21.01 H new ATOM 0 HG21 THR A 52 5.474 -3.139 5.845 1.00 64.11 H new ATOM 0 HG22 THR A 52 4.588 -2.993 4.309 1.00 64.11 H new ATOM 0 HG23 THR A 52 3.695 -3.120 5.843 1.00 64.11 H new ATOM 790 N GLY A 53 2.567 -4.008 2.590 1.00 1.03 N ATOM 791 CA GLY A 53 2.595 -3.486 1.245 1.00 42.20 C ATOM 792 C GLY A 53 2.617 -1.976 1.213 1.00 4.52 C ATOM 793 O GLY A 53 2.205 -1.320 2.172 1.00 11.45 O ATOM 0 H GLY A 53 1.868 -3.588 3.202 1.00 1.03 H new ATOM 0 HA2 GLY A 53 3.474 -3.870 0.727 1.00 42.20 H new ATOM 0 HA3 GLY A 53 1.722 -3.845 0.701 1.00 42.20 H new ATOM 797 N TYR A 54 3.111 -1.424 0.116 1.00 51.42 N ATOM 798 CA TYR A 54 3.113 0.015 -0.079 1.00 33.22 C ATOM 799 C TYR A 54 2.493 0.359 -1.422 1.00 2.20 C ATOM 800 O TYR A 54 2.717 -0.338 -2.414 1.00 1.44 O ATOM 801 CB TYR A 54 4.532 0.585 -0.034 1.00 50.34 C ATOM 802 CG TYR A 54 5.233 0.436 1.298 1.00 53.25 C ATOM 803 CD1 TYR A 54 4.814 1.158 2.404 1.00 10.40 C ATOM 804 CD2 TYR A 54 6.323 -0.411 1.444 1.00 13.40 C ATOM 805 CE1 TYR A 54 5.459 1.039 3.617 1.00 42.33 C ATOM 806 CE2 TYR A 54 6.973 -0.537 2.656 1.00 33.22 C ATOM 807 CZ TYR A 54 6.537 0.192 3.741 1.00 64.51 C ATOM 808 OH TYR A 54 7.181 0.076 4.953 1.00 42.34 O ATOM 0 H TYR A 54 3.517 -1.954 -0.655 1.00 51.42 H new ATOM 0 HA TYR A 54 2.531 0.455 0.731 1.00 33.22 H new ATOM 0 HB2 TYR A 54 5.131 0.093 -0.801 1.00 50.34 H new ATOM 0 HB3 TYR A 54 4.492 1.643 -0.291 1.00 50.34 H new ATOM 0 HD1 TYR A 54 3.969 1.824 2.315 1.00 10.40 H new ATOM 0 HD2 TYR A 54 6.669 -0.982 0.595 1.00 13.40 H new ATOM 0 HE1 TYR A 54 5.119 1.610 4.469 1.00 42.33 H new ATOM 0 HE2 TYR A 54 7.818 -1.203 2.753 1.00 33.22 H new ATOM 0 HH TYR A 54 7.920 -0.563 4.871 1.00 42.34 H new ATOM 818 N ILE A 55 1.716 1.425 -1.445 1.00 53.33 N ATOM 819 CA ILE A 55 1.168 1.956 -2.685 1.00 0.33 C ATOM 820 C ILE A 55 1.314 3.468 -2.701 1.00 11.32 C ATOM 821 O ILE A 55 1.352 4.098 -1.647 1.00 35.22 O ATOM 822 CB ILE A 55 -0.318 1.557 -2.902 1.00 21.42 C ATOM 823 CG1 ILE A 55 -1.174 1.845 -1.660 1.00 55.40 C ATOM 824 CG2 ILE A 55 -0.429 0.092 -3.290 1.00 53.41 C ATOM 825 CD1 ILE A 55 -1.671 3.272 -1.570 1.00 23.00 C ATOM 0 H ILE A 55 1.446 1.947 -0.611 1.00 53.33 H new ATOM 0 HA ILE A 55 1.735 1.518 -3.507 1.00 0.33 H new ATOM 0 HB ILE A 55 -0.702 2.169 -3.718 1.00 21.42 H new ATOM 0 HG12 ILE A 55 -2.031 1.172 -1.659 1.00 55.40 H new ATOM 0 HG13 ILE A 55 -0.590 1.618 -0.768 1.00 55.40 H new ATOM 0 HG21 ILE A 55 -1.478 -0.167 -3.437 1.00 53.41 H new ATOM 0 HG22 ILE A 55 0.121 -0.082 -4.215 1.00 53.41 H new ATOM 0 HG23 ILE A 55 -0.010 -0.527 -2.497 1.00 53.41 H new ATOM 0 HD11 ILE A 55 -2.267 3.393 -0.666 1.00 23.00 H new ATOM 0 HD12 ILE A 55 -0.820 3.952 -1.538 1.00 23.00 H new ATOM 0 HD13 ILE A 55 -2.284 3.499 -2.442 1.00 23.00 H new ATOM 837 N GLY A 56 1.416 4.047 -3.885 1.00 54.01 N ATOM 838 CA GLY A 56 1.550 5.485 -3.985 1.00 65.34 C ATOM 839 C GLY A 56 0.231 6.188 -3.754 1.00 21.22 C ATOM 840 O GLY A 56 -0.804 5.726 -4.225 1.00 2.14 O ATOM 0 H GLY A 56 1.409 3.551 -4.776 1.00 54.01 H new ATOM 0 HA2 GLY A 56 2.281 5.834 -3.255 1.00 65.34 H new ATOM 0 HA3 GLY A 56 1.934 5.747 -4.971 1.00 65.34 H new ATOM 844 N THR A 57 0.259 7.308 -3.040 1.00 72.01 N ATOM 845 CA THR A 57 -0.956 8.074 -2.765 1.00 51.50 C ATOM 846 C THR A 57 -1.531 8.655 -4.062 1.00 33.42 C ATOM 847 O THR A 57 -2.656 9.155 -4.096 1.00 72.51 O ATOM 848 CB THR A 57 -0.668 9.214 -1.764 1.00 74.23 C ATOM 849 OG1 THR A 57 0.155 8.719 -0.699 1.00 70.12 O ATOM 850 CG2 THR A 57 -1.957 9.776 -1.182 1.00 12.22 C ATOM 0 H THR A 57 1.108 7.707 -2.640 1.00 72.01 H new ATOM 0 HA THR A 57 -1.688 7.397 -2.325 1.00 51.50 H new ATOM 0 HB THR A 57 -0.154 10.013 -2.298 1.00 74.23 H new ATOM 0 HG1 THR A 57 0.339 9.443 -0.065 1.00 70.12 H new ATOM 0 HG21 THR A 57 -1.721 10.577 -0.481 1.00 12.22 H new ATOM 0 HG22 THR A 57 -2.578 10.169 -1.987 1.00 12.22 H new ATOM 0 HG23 THR A 57 -2.496 8.985 -0.661 1.00 12.22 H new ATOM 858 N ARG A 58 -0.745 8.567 -5.128 1.00 41.13 N ATOM 859 CA ARG A 58 -1.156 9.015 -6.443 1.00 22.32 C ATOM 860 C ARG A 58 -2.023 7.966 -7.139 1.00 35.23 C ATOM 861 O ARG A 58 -2.637 8.245 -8.168 1.00 13.51 O ATOM 862 CB ARG A 58 0.084 9.325 -7.285 1.00 73.11 C ATOM 863 CG ARG A 58 1.152 8.244 -7.215 1.00 64.33 C ATOM 864 CD ARG A 58 2.412 8.656 -7.957 1.00 55.41 C ATOM 865 NE ARG A 58 3.537 7.767 -7.659 1.00 44.13 N ATOM 866 CZ ARG A 58 4.788 8.187 -7.479 1.00 63.41 C ATOM 867 NH1 ARG A 58 5.097 9.469 -7.644 1.00 12.14 N ATOM 868 NH2 ARG A 58 5.737 7.317 -7.149 1.00 43.24 N ATOM 0 H ARG A 58 0.199 8.181 -5.099 1.00 41.13 H new ATOM 0 HA ARG A 58 -1.756 9.918 -6.332 1.00 22.32 H new ATOM 0 HB2 ARG A 58 -0.217 9.460 -8.324 1.00 73.11 H new ATOM 0 HB3 ARG A 58 0.513 10.270 -6.952 1.00 73.11 H new ATOM 0 HG2 ARG A 58 1.394 8.037 -6.172 1.00 64.33 H new ATOM 0 HG3 ARG A 58 0.763 7.319 -7.642 1.00 64.33 H new ATOM 0 HD2 ARG A 58 2.220 8.651 -9.030 1.00 55.41 H new ATOM 0 HD3 ARG A 58 2.675 9.678 -7.685 1.00 55.41 H new ATOM 0 HE ARG A 58 3.351 6.767 -7.585 1.00 44.13 H new ATOM 0 HH11 ARG A 58 4.374 10.138 -7.910 1.00 12.14 H new ATOM 0 HH12 ARG A 58 6.057 9.784 -7.505 1.00 12.14 H new ATOM 0 HH21 ARG A 58 5.507 6.330 -7.034 1.00 43.24 H new ATOM 0 HH22 ARG A 58 6.696 7.636 -7.011 1.00 43.24 H new ATOM 882 N TYR A 59 -2.070 6.756 -6.581 1.00 31.21 N ATOM 883 CA TYR A 59 -2.860 5.689 -7.165 1.00 11.24 C ATOM 884 C TYR A 59 -3.663 4.937 -6.119 1.00 12.13 C ATOM 885 O TYR A 59 -3.109 4.321 -5.213 1.00 41.43 O ATOM 886 CB TYR A 59 -1.956 4.718 -7.907 1.00 40.14 C ATOM 887 CG TYR A 59 -1.887 4.987 -9.387 1.00 14.31 C ATOM 888 CD1 TYR A 59 -0.994 5.915 -9.904 1.00 72.42 C ATOM 889 CD2 TYR A 59 -2.724 4.317 -10.267 1.00 25.11 C ATOM 890 CE1 TYR A 59 -0.937 6.168 -11.260 1.00 4.44 C ATOM 891 CE2 TYR A 59 -2.672 4.563 -11.623 1.00 33.20 C ATOM 892 CZ TYR A 59 -1.778 5.489 -12.116 1.00 3.13 C ATOM 893 OH TYR A 59 -1.726 5.735 -13.465 1.00 55.32 O ATOM 0 H TYR A 59 -1.571 6.498 -5.730 1.00 31.21 H new ATOM 0 HA TYR A 59 -3.563 6.148 -7.860 1.00 11.24 H new ATOM 0 HB2 TYR A 59 -0.952 4.773 -7.487 1.00 40.14 H new ATOM 0 HB3 TYR A 59 -2.314 3.701 -7.745 1.00 40.14 H new ATOM 0 HD1 TYR A 59 -0.334 6.447 -9.235 1.00 72.42 H new ATOM 0 HD2 TYR A 59 -3.427 3.592 -9.885 1.00 25.11 H new ATOM 0 HE1 TYR A 59 -0.238 6.894 -11.648 1.00 4.44 H new ATOM 0 HE2 TYR A 59 -3.329 4.032 -12.296 1.00 33.20 H new ATOM 0 HH TYR A 59 -2.383 5.173 -13.926 1.00 55.32 H new ATOM 903 N LEU A 60 -4.974 4.992 -6.279 1.00 73.12 N ATOM 904 CA LEU A 60 -5.916 4.274 -5.432 1.00 44.40 C ATOM 905 C LEU A 60 -7.224 4.097 -6.187 1.00 44.31 C ATOM 906 O LEU A 60 -7.393 4.663 -7.267 1.00 23.54 O ATOM 907 CB LEU A 60 -6.168 5.026 -4.119 1.00 71.41 C ATOM 908 CG LEU A 60 -5.146 4.781 -3.010 1.00 4.33 C ATOM 909 CD1 LEU A 60 -5.422 5.684 -1.817 1.00 64.24 C ATOM 910 CD2 LEU A 60 -5.166 3.319 -2.587 1.00 54.33 C ATOM 0 H LEU A 60 -5.422 5.544 -7.011 1.00 73.12 H new ATOM 0 HA LEU A 60 -5.492 3.301 -5.183 1.00 44.40 H new ATOM 0 HB2 LEU A 60 -6.196 6.094 -4.333 1.00 71.41 H new ATOM 0 HB3 LEU A 60 -7.154 4.750 -3.747 1.00 71.41 H new ATOM 0 HG LEU A 60 -4.155 5.018 -3.396 1.00 4.33 H new ATOM 0 HD11 LEU A 60 -4.683 5.494 -1.038 1.00 64.24 H new ATOM 0 HD12 LEU A 60 -5.361 6.727 -2.128 1.00 64.24 H new ATOM 0 HD13 LEU A 60 -6.420 5.479 -1.429 1.00 64.24 H new ATOM 0 HD21 LEU A 60 -4.433 3.159 -1.796 1.00 54.33 H new ATOM 0 HD22 LEU A 60 -6.159 3.060 -2.219 1.00 54.33 H new ATOM 0 HD23 LEU A 60 -4.920 2.689 -3.442 1.00 54.33 H new ATOM 922 N SER A 61 -8.152 3.345 -5.621 1.00 71.02 N ATOM 923 CA SER A 61 -9.435 3.137 -6.262 1.00 45.01 C ATOM 924 C SER A 61 -10.353 4.312 -5.950 1.00 4.41 C ATOM 925 O SER A 61 -10.671 4.581 -4.791 1.00 54.20 O ATOM 926 CB SER A 61 -10.054 1.826 -5.777 1.00 45.54 C ATOM 927 OG SER A 61 -9.142 0.753 -5.937 1.00 22.34 O ATOM 0 H SER A 61 -8.041 2.872 -4.724 1.00 71.02 H new ATOM 0 HA SER A 61 -9.298 3.073 -7.341 1.00 45.01 H new ATOM 0 HB2 SER A 61 -10.336 1.917 -4.728 1.00 45.54 H new ATOM 0 HB3 SER A 61 -10.967 1.620 -6.336 1.00 45.54 H new ATOM 0 HG SER A 61 -9.638 -0.078 -6.091 1.00 22.34 H new ATOM 933 N LYS A 62 -10.775 5.003 -6.997 1.00 75.01 N ATOM 934 CA LYS A 62 -11.535 6.236 -6.849 1.00 42.42 C ATOM 935 C LYS A 62 -13.032 5.959 -6.979 1.00 65.25 C ATOM 936 O LYS A 62 -13.821 6.348 -6.119 1.00 33.35 O ATOM 937 CB LYS A 62 -11.069 7.257 -7.906 1.00 21.43 C ATOM 938 CG LYS A 62 -11.529 8.692 -7.666 1.00 45.33 C ATOM 939 CD LYS A 62 -12.995 8.887 -8.020 1.00 23.14 C ATOM 940 CE LYS A 62 -13.465 10.300 -7.718 1.00 3.25 C ATOM 941 NZ LYS A 62 -14.937 10.438 -7.874 1.00 60.21 N ATOM 0 H LYS A 62 -10.603 4.729 -7.965 1.00 75.01 H new ATOM 0 HA LYS A 62 -11.358 6.652 -5.857 1.00 42.42 H new ATOM 0 HB2 LYS A 62 -9.980 7.243 -7.947 1.00 21.43 H new ATOM 0 HB3 LYS A 62 -11.429 6.935 -8.883 1.00 21.43 H new ATOM 0 HG2 LYS A 62 -11.371 8.953 -6.620 1.00 45.33 H new ATOM 0 HG3 LYS A 62 -10.919 9.372 -8.260 1.00 45.33 H new ATOM 0 HD2 LYS A 62 -13.145 8.672 -9.078 1.00 23.14 H new ATOM 0 HD3 LYS A 62 -13.602 8.175 -7.461 1.00 23.14 H new ATOM 0 HE2 LYS A 62 -13.181 10.568 -6.700 1.00 3.25 H new ATOM 0 HE3 LYS A 62 -12.962 11.001 -8.384 1.00 3.25 H new ATOM 0 HZ1 LYS A 62 -15.219 11.416 -7.659 1.00 60.21 H new ATOM 0 HZ2 LYS A 62 -15.206 10.207 -8.852 1.00 60.21 H new ATOM 0 HZ3 LYS A 62 -15.418 9.788 -7.220 1.00 60.21 H new