USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=14 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 45 LYS NZ :NH3+ 172:sc= 0.643 (180deg=0.0698) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.247 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 THR OG1 : rot 177:sc= 0.408 USER MOD Single : A 13 ASN : amide:sc= -1.6! C(o=-1.6!,f=-3.4!) USER MOD Single : A 16 SER OG : rot 80:sc= 0.0891 USER MOD Single : A 20 THR OG1 : rot 85:sc= -0.174! USER MOD Single : A 21 ASN : amide:sc= -2.84! C(o=-2.8!,f=-9.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00316 USER MOD Single : A 40 ASN : amide:sc= 1.16 K(o=1.2,f=-0.01) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.871 K(o=0.87,f=-6.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0888 USER MOD Single : A 49 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.07) USER MOD Single : A 51 GLN : amide:sc= -2.6! K(o=-2.6!,f=-1.7) USER MOD Single : A 52 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 140:sc= -1.17 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0998 (180deg=-0.496) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -1.857 0.520 -14.122 1.00 2.23 N ATOM 155 CA ALA A 11 -3.253 0.084 -13.972 1.00 75.15 C ATOM 156 C ALA A 11 -3.469 -0.664 -12.654 1.00 2.55 C ATOM 157 O ALA A 11 -4.599 -0.995 -12.294 1.00 43.33 O ATOM 158 CB ALA A 11 -3.706 -0.764 -15.157 1.00 11.34 C ATOM 0 HA ALA A 11 -3.868 0.983 -13.951 1.00 75.15 H new ATOM 0 HB1 ALA A 11 -4.743 -1.068 -15.012 1.00 11.34 H new ATOM 0 HB2 ALA A 11 -3.624 -0.181 -16.074 1.00 11.34 H new ATOM 0 HB3 ALA A 11 -3.075 -1.650 -15.233 1.00 11.34 H new ATOM 164 N LEU A 12 -2.382 -0.916 -11.936 1.00 3.25 N ATOM 165 CA LEU A 12 -2.448 -1.565 -10.637 1.00 43.34 C ATOM 166 C LEU A 12 -2.404 -0.506 -9.544 1.00 63.14 C ATOM 167 O LEU A 12 -1.518 0.350 -9.541 1.00 34.23 O ATOM 168 CB LEU A 12 -1.284 -2.548 -10.468 1.00 1.54 C ATOM 169 CG LEU A 12 -1.116 -3.568 -11.595 1.00 75.10 C ATOM 170 CD1 LEU A 12 0.056 -4.490 -11.310 1.00 43.13 C ATOM 171 CD2 LEU A 12 -2.390 -4.373 -11.789 1.00 50.45 C ATOM 0 H LEU A 12 -1.437 -0.677 -12.237 1.00 3.25 H new ATOM 0 HA LEU A 12 -3.380 -2.125 -10.564 1.00 43.34 H new ATOM 0 HB2 LEU A 12 -0.360 -1.978 -10.377 1.00 1.54 H new ATOM 0 HB3 LEU A 12 -1.420 -3.087 -9.530 1.00 1.54 H new ATOM 0 HG LEU A 12 -0.912 -3.024 -12.517 1.00 75.10 H new ATOM 0 HD11 LEU A 12 0.160 -5.209 -12.123 1.00 43.13 H new ATOM 0 HD12 LEU A 12 0.970 -3.902 -11.227 1.00 43.13 H new ATOM 0 HD13 LEU A 12 -0.119 -5.022 -10.375 1.00 43.13 H new ATOM 0 HD21 LEU A 12 -2.247 -5.092 -12.596 1.00 50.45 H new ATOM 0 HD22 LEU A 12 -2.629 -4.904 -10.868 1.00 50.45 H new ATOM 0 HD23 LEU A 12 -3.210 -3.701 -12.043 1.00 50.45 H new ATOM 183 N ASN A 13 -3.358 -0.557 -8.629 1.00 21.41 N ATOM 184 CA ASN A 13 -3.482 0.478 -7.608 1.00 43.44 C ATOM 185 C ASN A 13 -3.004 -0.030 -6.251 1.00 1.14 C ATOM 186 O ASN A 13 -2.297 0.671 -5.526 1.00 13.45 O ATOM 187 CB ASN A 13 -4.934 0.972 -7.507 1.00 21.54 C ATOM 188 CG ASN A 13 -5.448 1.617 -8.793 1.00 34.43 C ATOM 189 OD1 ASN A 13 -5.068 1.236 -9.900 1.00 12.11 O ATOM 190 ND2 ASN A 13 -6.315 2.609 -8.657 1.00 55.13 N ATOM 0 H ASN A 13 -4.056 -1.298 -8.569 1.00 21.41 H new ATOM 0 HA ASN A 13 -2.848 1.314 -7.904 1.00 43.44 H new ATOM 0 HB2 ASN A 13 -5.578 0.132 -7.248 1.00 21.54 H new ATOM 0 HB3 ASN A 13 -5.009 1.693 -6.693 1.00 21.54 H new ATOM 0 HD21 ASN A 13 -6.686 3.079 -9.483 1.00 55.13 H new ATOM 0 HD22 ASN A 13 -6.612 2.903 -7.726 1.00 55.13 H new ATOM 197 N VAL A 14 -3.374 -1.263 -5.920 1.00 61.25 N ATOM 198 CA VAL A 14 -3.005 -1.868 -4.640 1.00 71.44 C ATOM 199 C VAL A 14 -1.619 -2.511 -4.750 1.00 43.21 C ATOM 200 O VAL A 14 -1.417 -3.667 -4.385 1.00 62.11 O ATOM 201 CB VAL A 14 -4.051 -2.917 -4.194 1.00 51.12 C ATOM 202 CG1 VAL A 14 -3.861 -3.289 -2.728 1.00 34.45 C ATOM 203 CG2 VAL A 14 -5.462 -2.402 -4.435 1.00 53.01 C ATOM 0 H VAL A 14 -3.932 -1.868 -6.523 1.00 61.25 H new ATOM 0 HA VAL A 14 -2.978 -1.083 -3.884 1.00 71.44 H new ATOM 0 HB VAL A 14 -3.904 -3.816 -4.793 1.00 51.12 H new ATOM 0 HG11 VAL A 14 -4.609 -4.028 -2.440 1.00 34.45 H new ATOM 0 HG12 VAL A 14 -2.864 -3.707 -2.585 1.00 34.45 H new ATOM 0 HG13 VAL A 14 -3.973 -2.399 -2.109 1.00 34.45 H new ATOM 0 HG21 VAL A 14 -6.183 -3.154 -4.115 1.00 53.01 H new ATOM 0 HG22 VAL A 14 -5.617 -1.485 -3.866 1.00 53.01 H new ATOM 0 HG23 VAL A 14 -5.598 -2.197 -5.497 1.00 53.01 H new ATOM 213 N ARG A 15 -0.681 -1.725 -5.268 1.00 25.42 N ATOM 214 CA ARG A 15 0.676 -2.174 -5.594 1.00 62.50 C ATOM 215 C ARG A 15 1.294 -3.049 -4.500 1.00 33.42 C ATOM 216 O ARG A 15 1.437 -4.258 -4.681 1.00 25.24 O ATOM 217 CB ARG A 15 1.562 -0.949 -5.828 1.00 53.40 C ATOM 218 CG ARG A 15 1.009 0.001 -6.875 1.00 32.33 C ATOM 219 CD ARG A 15 1.301 -0.474 -8.284 1.00 63.13 C ATOM 220 NE ARG A 15 2.397 0.281 -8.894 1.00 23.43 N ATOM 221 CZ ARG A 15 2.942 -0.018 -10.076 1.00 43.24 C ATOM 222 NH1 ARG A 15 2.578 -1.119 -10.721 1.00 10.11 N ATOM 223 NH2 ARG A 15 3.890 0.758 -10.592 1.00 52.53 N ATOM 0 H ARG A 15 -0.841 -0.740 -5.478 1.00 25.42 H new ATOM 0 HA ARG A 15 0.610 -2.788 -6.492 1.00 62.50 H new ATOM 0 HB2 ARG A 15 1.683 -0.412 -4.887 1.00 53.40 H new ATOM 0 HB3 ARG A 15 2.554 -1.280 -6.136 1.00 53.40 H new ATOM 0 HG2 ARG A 15 -0.068 0.100 -6.742 1.00 32.33 H new ATOM 0 HG3 ARG A 15 1.440 0.991 -6.730 1.00 32.33 H new ATOM 0 HD2 ARG A 15 1.555 -1.534 -8.265 1.00 63.13 H new ATOM 0 HD3 ARG A 15 0.404 -0.372 -8.895 1.00 63.13 H new ATOM 0 HE ARG A 15 2.767 1.084 -8.385 1.00 23.43 H new ATOM 0 HH11 ARG A 15 1.879 -1.741 -10.314 1.00 10.11 H new ATOM 0 HH12 ARG A 15 2.997 -1.343 -11.624 1.00 10.11 H new ATOM 0 HH21 ARG A 15 4.204 1.585 -10.085 1.00 52.53 H new ATOM 0 HH22 ARG A 15 4.304 0.526 -11.495 1.00 52.53 H new ATOM 237 N SER A 16 1.667 -2.435 -3.377 1.00 73.41 N ATOM 238 CA SER A 16 2.294 -3.159 -2.268 1.00 70.13 C ATOM 239 C SER A 16 3.565 -3.862 -2.746 1.00 63.43 C ATOM 240 O SER A 16 3.889 -4.964 -2.305 1.00 52.32 O ATOM 241 CB SER A 16 1.314 -4.184 -1.698 1.00 31.03 C ATOM 242 OG SER A 16 0.002 -3.653 -1.628 1.00 24.31 O ATOM 0 H SER A 16 1.546 -1.436 -3.210 1.00 73.41 H new ATOM 0 HA SER A 16 2.561 -2.446 -1.488 1.00 70.13 H new ATOM 0 HB2 SER A 16 1.315 -5.078 -2.322 1.00 31.03 H new ATOM 0 HB3 SER A 16 1.640 -4.489 -0.703 1.00 31.03 H new ATOM 0 HG SER A 16 -0.413 -3.689 -2.515 1.00 24.31 H new ATOM 248 N GLY A 17 4.294 -3.196 -3.632 1.00 54.11 N ATOM 249 CA GLY A 17 5.424 -3.823 -4.283 1.00 0.31 C ATOM 250 C GLY A 17 6.696 -3.767 -3.466 1.00 71.34 C ATOM 251 O GLY A 17 6.772 -3.063 -2.457 1.00 60.30 O ATOM 0 H GLY A 17 4.121 -2.230 -3.911 1.00 54.11 H new ATOM 0 HA2 GLY A 17 5.181 -4.865 -4.492 1.00 0.31 H new ATOM 0 HA3 GLY A 17 5.596 -3.337 -5.243 1.00 0.31 H new ATOM 255 N GLU A 18 7.690 -4.520 -3.910 1.00 4.33 N ATOM 256 CA GLU A 18 8.997 -4.545 -3.275 1.00 33.34 C ATOM 257 C GLU A 18 9.715 -3.228 -3.537 1.00 31.02 C ATOM 258 O GLU A 18 10.353 -2.654 -2.650 1.00 11.33 O ATOM 259 CB GLU A 18 9.837 -5.709 -3.821 1.00 15.24 C ATOM 260 CG GLU A 18 9.052 -6.999 -4.034 1.00 52.13 C ATOM 261 CD GLU A 18 8.486 -7.130 -5.441 1.00 52.52 C ATOM 262 OE1 GLU A 18 7.614 -6.319 -5.823 1.00 42.35 O ATOM 263 OE2 GLU A 18 8.914 -8.046 -6.175 1.00 64.25 O ATOM 0 H GLU A 18 7.612 -5.132 -4.722 1.00 4.33 H new ATOM 0 HA GLU A 18 8.864 -4.683 -2.202 1.00 33.34 H new ATOM 0 HB2 GLU A 18 10.283 -5.407 -4.769 1.00 15.24 H new ATOM 0 HB3 GLU A 18 10.657 -5.906 -3.131 1.00 15.24 H new ATOM 0 HG2 GLU A 18 9.702 -7.850 -3.830 1.00 52.13 H new ATOM 0 HG3 GLU A 18 8.234 -7.042 -3.315 1.00 52.13 H new ATOM 270 N GLY A 19 9.605 -2.762 -4.772 1.00 53.53 N ATOM 271 CA GLY A 19 10.180 -1.494 -5.150 1.00 73.34 C ATOM 272 C GLY A 19 9.154 -0.587 -5.791 1.00 5.53 C ATOM 273 O GLY A 19 8.821 0.461 -5.251 1.00 0.42 O ATOM 0 H GLY A 19 9.121 -3.249 -5.526 1.00 53.53 H new ATOM 0 HA2 GLY A 19 10.598 -1.006 -4.269 1.00 73.34 H new ATOM 0 HA3 GLY A 19 11.004 -1.660 -5.844 1.00 73.34 H new ATOM 277 N THR A 20 8.655 -0.982 -6.951 1.00 1.43 N ATOM 278 CA THR A 20 7.625 -0.215 -7.628 1.00 44.32 C ATOM 279 C THR A 20 6.389 -1.055 -7.911 1.00 22.02 C ATOM 280 O THR A 20 5.374 -0.525 -8.353 1.00 72.21 O ATOM 281 CB THR A 20 8.148 0.391 -8.938 1.00 5.21 C ATOM 282 OG1 THR A 20 8.965 -0.565 -9.623 1.00 3.22 O ATOM 283 CG2 THR A 20 8.943 1.659 -8.674 1.00 23.14 C ATOM 0 H THR A 20 8.946 -1.827 -7.442 1.00 1.43 H new ATOM 0 HA THR A 20 7.345 0.593 -6.953 1.00 44.32 H new ATOM 0 HB THR A 20 7.292 0.650 -9.562 1.00 5.21 H new ATOM 0 HG1 THR A 20 8.397 -1.150 -10.167 1.00 3.22 H new ATOM 0 HG21 THR A 20 9.301 2.067 -9.619 1.00 23.14 H new ATOM 0 HG22 THR A 20 8.305 2.392 -8.181 1.00 23.14 H new ATOM 0 HG23 THR A 20 9.794 1.428 -8.033 1.00 23.14 H new ATOM 291 N ASN A 21 6.490 -2.358 -7.630 1.00 31.54 N ATOM 292 CA ASN A 21 5.408 -3.319 -7.874 1.00 5.23 C ATOM 293 C ASN A 21 5.273 -3.654 -9.349 1.00 2.42 C ATOM 294 O ASN A 21 5.087 -2.777 -10.192 1.00 73.21 O ATOM 295 CB ASN A 21 4.062 -2.820 -7.336 1.00 4.44 C ATOM 296 CG ASN A 21 2.888 -3.621 -7.876 1.00 34.32 C ATOM 297 OD1 ASN A 21 2.312 -3.286 -8.910 1.00 24.31 O ATOM 298 ND2 ASN A 21 2.513 -4.674 -7.177 1.00 21.31 N ATOM 0 H ASN A 21 7.327 -2.778 -7.226 1.00 31.54 H new ATOM 0 HA ASN A 21 5.682 -4.225 -7.333 1.00 5.23 H new ATOM 0 HB2 ASN A 21 4.066 -2.876 -6.247 1.00 4.44 H new ATOM 0 HB3 ASN A 21 3.935 -1.770 -7.601 1.00 4.44 H new ATOM 0 HD21 ASN A 21 1.723 -5.239 -7.490 1.00 21.31 H new ATOM 0 HD22 ASN A 21 3.013 -4.924 -6.324 1.00 21.31 H new ATOM 305 N TYR A 22 5.379 -4.937 -9.655 1.00 71.11 N ATOM 306 CA TYR A 22 5.169 -5.412 -11.007 1.00 34.54 C ATOM 307 C TYR A 22 4.188 -6.582 -11.030 1.00 62.41 C ATOM 308 O TYR A 22 3.131 -6.500 -11.653 1.00 25.33 O ATOM 309 CB TYR A 22 6.503 -5.826 -11.635 1.00 43.35 C ATOM 310 CG TYR A 22 7.333 -4.664 -12.142 1.00 34.22 C ATOM 311 CD1 TYR A 22 8.005 -3.811 -11.269 1.00 43.42 C ATOM 312 CD2 TYR A 22 7.448 -4.427 -13.505 1.00 43.21 C ATOM 313 CE1 TYR A 22 8.766 -2.760 -11.748 1.00 70.23 C ATOM 314 CE2 TYR A 22 8.210 -3.383 -13.988 1.00 41.54 C ATOM 315 CZ TYR A 22 8.865 -2.552 -13.105 1.00 51.34 C ATOM 316 OH TYR A 22 9.633 -1.515 -13.584 1.00 51.11 O ATOM 0 H TYR A 22 5.610 -5.667 -8.981 1.00 71.11 H new ATOM 0 HA TYR A 22 4.740 -4.598 -11.591 1.00 34.54 H new ATOM 0 HB2 TYR A 22 7.084 -6.379 -10.897 1.00 43.35 H new ATOM 0 HB3 TYR A 22 6.307 -6.508 -12.463 1.00 43.35 H new ATOM 0 HD1 TYR A 22 7.931 -3.973 -10.204 1.00 43.42 H new ATOM 0 HD2 TYR A 22 6.931 -5.072 -14.200 1.00 43.21 H new ATOM 0 HE1 TYR A 22 9.280 -2.105 -11.060 1.00 70.23 H new ATOM 0 HE2 TYR A 22 8.293 -3.218 -15.052 1.00 41.54 H new ATOM 0 HH TYR A 22 9.598 -1.507 -14.563 1.00 51.11 H new ATOM 326 N ARG A 23 4.536 -7.672 -10.354 1.00 75.01 N ATOM 327 CA ARG A 23 3.713 -8.878 -10.400 1.00 64.35 C ATOM 328 C ARG A 23 3.173 -9.294 -9.033 1.00 23.00 C ATOM 329 O ARG A 23 2.285 -10.145 -8.956 1.00 14.23 O ATOM 330 CB ARG A 23 4.499 -10.038 -11.010 1.00 2.44 C ATOM 331 CG ARG A 23 4.902 -9.804 -12.456 1.00 24.45 C ATOM 332 CD ARG A 23 5.580 -11.026 -13.045 1.00 62.43 C ATOM 333 NE ARG A 23 4.701 -12.194 -13.033 1.00 64.35 N ATOM 334 CZ ARG A 23 4.768 -13.185 -13.918 1.00 15.00 C ATOM 335 NH1 ARG A 23 5.644 -13.138 -14.913 1.00 53.20 N ATOM 336 NH2 ARG A 23 3.941 -14.214 -13.811 1.00 4.40 N ATOM 0 H ARG A 23 5.372 -7.747 -9.774 1.00 75.01 H new ATOM 0 HA ARG A 23 2.854 -8.634 -11.025 1.00 64.35 H new ATOM 0 HB2 ARG A 23 5.396 -10.211 -10.415 1.00 2.44 H new ATOM 0 HB3 ARG A 23 3.897 -10.945 -10.951 1.00 2.44 H new ATOM 0 HG2 ARG A 23 4.020 -9.556 -13.046 1.00 24.45 H new ATOM 0 HG3 ARG A 23 5.575 -8.949 -12.514 1.00 24.45 H new ATOM 0 HD2 ARG A 23 5.887 -10.813 -14.069 1.00 62.43 H new ATOM 0 HD3 ARG A 23 6.486 -11.247 -12.480 1.00 62.43 H new ATOM 0 HE ARG A 23 3.993 -12.253 -12.301 1.00 64.35 H new ATOM 0 HH11 ARG A 23 6.271 -12.339 -15.003 1.00 53.20 H new ATOM 0 HH12 ARG A 23 5.690 -13.901 -15.588 1.00 53.20 H new ATOM 0 HH21 ARG A 23 3.258 -14.243 -13.054 1.00 4.40 H new ATOM 0 HH22 ARG A 23 3.987 -14.977 -14.486 1.00 4.40 H new ATOM 350 N ILE A 24 3.706 -8.722 -7.957 1.00 13.21 N ATOM 351 CA ILE A 24 3.365 -9.193 -6.613 1.00 31.22 C ATOM 352 C ILE A 24 1.869 -9.032 -6.309 1.00 14.14 C ATOM 353 O ILE A 24 1.192 -10.010 -5.992 1.00 20.12 O ATOM 354 CB ILE A 24 4.224 -8.509 -5.514 1.00 53.32 C ATOM 355 CG1 ILE A 24 3.786 -8.980 -4.120 1.00 32.24 C ATOM 356 CG2 ILE A 24 4.156 -6.991 -5.618 1.00 21.12 C ATOM 357 CD1 ILE A 24 4.645 -8.443 -2.995 1.00 42.02 C ATOM 0 H ILE A 24 4.365 -7.944 -7.984 1.00 13.21 H new ATOM 0 HA ILE A 24 3.597 -10.258 -6.598 1.00 31.22 H new ATOM 0 HB ILE A 24 5.262 -8.802 -5.670 1.00 53.32 H new ATOM 0 HG12 ILE A 24 2.753 -8.676 -3.952 1.00 32.24 H new ATOM 0 HG13 ILE A 24 3.807 -10.069 -4.092 1.00 32.24 H new ATOM 0 HG21 ILE A 24 4.768 -6.545 -4.834 1.00 21.12 H new ATOM 0 HG22 ILE A 24 4.528 -6.676 -6.593 1.00 21.12 H new ATOM 0 HG23 ILE A 24 3.123 -6.664 -5.501 1.00 21.12 H new ATOM 0 HD11 ILE A 24 4.273 -8.820 -2.042 1.00 42.02 H new ATOM 0 HD12 ILE A 24 5.676 -8.769 -3.137 1.00 42.02 H new ATOM 0 HD13 ILE A 24 4.605 -7.354 -2.995 1.00 42.02 H new ATOM 369 N ILE A 25 1.348 -7.817 -6.434 1.00 71.20 N ATOM 370 CA ILE A 25 -0.069 -7.554 -6.195 1.00 11.31 C ATOM 371 C ILE A 25 -0.587 -6.595 -7.267 1.00 55.45 C ATOM 372 O ILE A 25 0.192 -5.849 -7.854 1.00 31.33 O ATOM 373 CB ILE A 25 -0.316 -6.966 -4.777 1.00 11.31 C ATOM 374 CG1 ILE A 25 0.249 -7.896 -3.703 1.00 64.55 C ATOM 375 CG2 ILE A 25 -1.798 -6.735 -4.543 1.00 41.44 C ATOM 376 CD1 ILE A 25 0.361 -7.251 -2.338 1.00 43.33 C ATOM 0 H ILE A 25 1.888 -6.994 -6.701 1.00 71.20 H new ATOM 0 HA ILE A 25 -0.610 -8.499 -6.249 1.00 11.31 H new ATOM 0 HB ILE A 25 0.199 -6.007 -4.713 1.00 11.31 H new ATOM 0 HG12 ILE A 25 -0.387 -8.778 -3.627 1.00 64.55 H new ATOM 0 HG13 ILE A 25 1.235 -8.240 -4.015 1.00 64.55 H new ATOM 0 HG21 ILE A 25 -1.949 -6.323 -3.545 1.00 41.44 H new ATOM 0 HG22 ILE A 25 -2.179 -6.034 -5.286 1.00 41.44 H new ATOM 0 HG23 ILE A 25 -2.332 -7.681 -4.630 1.00 41.44 H new ATOM 0 HD11 ILE A 25 0.769 -7.970 -1.628 1.00 43.33 H new ATOM 0 HD12 ILE A 25 1.021 -6.386 -2.398 1.00 43.33 H new ATOM 0 HD13 ILE A 25 -0.626 -6.932 -2.004 1.00 43.33 H new ATOM 388 N GLY A 26 -1.888 -6.625 -7.536 1.00 23.13 N ATOM 389 CA GLY A 26 -2.439 -5.802 -8.592 1.00 51.43 C ATOM 390 C GLY A 26 -3.479 -4.830 -8.081 1.00 73.41 C ATOM 391 O GLY A 26 -3.166 -3.903 -7.333 1.00 4.45 O ATOM 0 H GLY A 26 -2.568 -7.203 -7.042 1.00 23.13 H new ATOM 0 HA2 GLY A 26 -1.634 -5.248 -9.075 1.00 51.43 H new ATOM 0 HA3 GLY A 26 -2.886 -6.442 -9.352 1.00 51.43 H new ATOM 395 N ALA A 27 -4.720 -5.034 -8.486 1.00 34.10 N ATOM 396 CA ALA A 27 -5.810 -4.196 -8.025 1.00 13.14 C ATOM 397 C ALA A 27 -6.893 -5.030 -7.356 1.00 40.34 C ATOM 398 O ALA A 27 -7.763 -5.594 -8.018 1.00 22.23 O ATOM 399 CB ALA A 27 -6.385 -3.392 -9.176 1.00 51.44 C ATOM 0 H ALA A 27 -4.997 -5.773 -9.133 1.00 34.10 H new ATOM 0 HA ALA A 27 -5.415 -3.502 -7.283 1.00 13.14 H new ATOM 0 HB1 ALA A 27 -7.202 -2.769 -8.812 1.00 51.44 H new ATOM 0 HB2 ALA A 27 -5.607 -2.758 -9.602 1.00 51.44 H new ATOM 0 HB3 ALA A 27 -6.760 -4.071 -9.942 1.00 51.44 H new ATOM 405 N LEU A 28 -6.806 -5.133 -6.039 1.00 54.52 N ATOM 406 CA LEU A 28 -7.812 -5.829 -5.251 1.00 43.13 C ATOM 407 C LEU A 28 -7.940 -5.160 -3.889 1.00 61.31 C ATOM 408 O LEU A 28 -7.269 -5.544 -2.936 1.00 42.04 O ATOM 409 CB LEU A 28 -7.454 -7.310 -5.087 1.00 4.03 C ATOM 410 CG LEU A 28 -8.499 -8.158 -4.354 1.00 31.21 C ATOM 411 CD1 LEU A 28 -9.813 -8.171 -5.118 1.00 25.51 C ATOM 412 CD2 LEU A 28 -7.993 -9.577 -4.159 1.00 54.34 C ATOM 0 H LEU A 28 -6.042 -4.740 -5.489 1.00 54.52 H new ATOM 0 HA LEU A 28 -8.767 -5.774 -5.773 1.00 43.13 H new ATOM 0 HB2 LEU A 28 -7.290 -7.739 -6.076 1.00 4.03 H new ATOM 0 HB3 LEU A 28 -6.509 -7.381 -4.548 1.00 4.03 H new ATOM 0 HG LEU A 28 -8.672 -7.711 -3.375 1.00 31.21 H new ATOM 0 HD11 LEU A 28 -10.541 -8.779 -4.580 1.00 25.51 H new ATOM 0 HD12 LEU A 28 -10.189 -7.152 -5.212 1.00 25.51 H new ATOM 0 HD13 LEU A 28 -9.652 -8.591 -6.111 1.00 25.51 H new ATOM 0 HD21 LEU A 28 -8.748 -10.164 -3.637 1.00 54.34 H new ATOM 0 HD22 LEU A 28 -7.791 -10.028 -5.131 1.00 54.34 H new ATOM 0 HD23 LEU A 28 -7.076 -9.559 -3.569 1.00 54.34 H new ATOM 424 N PRO A 29 -8.757 -4.102 -3.807 1.00 54.32 N ATOM 425 CA PRO A 29 -8.919 -3.318 -2.592 1.00 62.25 C ATOM 426 C PRO A 29 -10.075 -3.793 -1.713 1.00 73.23 C ATOM 427 O PRO A 29 -10.213 -3.360 -0.568 1.00 4.50 O ATOM 428 CB PRO A 29 -9.199 -1.923 -3.144 1.00 62.02 C ATOM 429 CG PRO A 29 -9.839 -2.138 -4.484 1.00 13.45 C ATOM 430 CD PRO A 29 -9.574 -3.565 -4.902 1.00 33.24 C ATOM 0 HA PRO A 29 -8.049 -3.386 -1.939 1.00 62.25 H new ATOM 0 HB2 PRO A 29 -9.859 -1.364 -2.480 1.00 62.02 H new ATOM 0 HB3 PRO A 29 -8.278 -1.347 -3.238 1.00 62.02 H new ATOM 0 HG2 PRO A 29 -10.911 -1.949 -4.429 1.00 13.45 H new ATOM 0 HG3 PRO A 29 -9.430 -1.443 -5.218 1.00 13.45 H new ATOM 0 HD2 PRO A 29 -10.501 -4.126 -5.022 1.00 33.24 H new ATOM 0 HD3 PRO A 29 -9.047 -3.612 -5.855 1.00 33.24 H new ATOM 438 N GLN A 30 -10.903 -4.678 -2.244 1.00 22.54 N ATOM 439 CA GLN A 30 -12.045 -5.174 -1.497 1.00 72.34 C ATOM 440 C GLN A 30 -11.701 -6.482 -0.792 1.00 62.24 C ATOM 441 O GLN A 30 -11.716 -7.561 -1.388 1.00 52.31 O ATOM 442 CB GLN A 30 -13.273 -5.337 -2.405 1.00 3.13 C ATOM 443 CG GLN A 30 -13.029 -6.161 -3.659 1.00 40.32 C ATOM 444 CD GLN A 30 -14.293 -6.355 -4.469 1.00 33.11 C ATOM 445 OE1 GLN A 30 -15.032 -7.320 -4.269 1.00 45.53 O ATOM 446 NE2 GLN A 30 -14.560 -5.433 -5.378 1.00 31.20 N ATOM 0 H GLN A 30 -10.806 -5.065 -3.183 1.00 22.54 H new ATOM 0 HA GLN A 30 -12.297 -4.437 -0.735 1.00 72.34 H new ATOM 0 HB2 GLN A 30 -14.074 -5.803 -1.831 1.00 3.13 H new ATOM 0 HB3 GLN A 30 -13.625 -4.348 -2.699 1.00 3.13 H new ATOM 0 HG2 GLN A 30 -12.277 -5.669 -4.275 1.00 40.32 H new ATOM 0 HG3 GLN A 30 -12.625 -7.134 -3.380 1.00 40.32 H new ATOM 0 HE21 GLN A 30 -13.921 -4.649 -5.512 1.00 31.20 H new ATOM 0 HE22 GLN A 30 -15.405 -5.506 -5.945 1.00 31.20 H new ATOM 455 N GLY A 31 -11.357 -6.368 0.476 1.00 14.21 N ATOM 456 CA GLY A 31 -11.049 -7.533 1.269 1.00 64.30 C ATOM 457 C GLY A 31 -11.254 -7.269 2.738 1.00 32.01 C ATOM 458 O GLY A 31 -11.095 -6.140 3.194 1.00 52.25 O ATOM 0 H GLY A 31 -11.285 -5.481 0.975 1.00 14.21 H new ATOM 0 HA2 GLY A 31 -11.680 -8.365 0.956 1.00 64.30 H new ATOM 0 HA3 GLY A 31 -10.016 -7.832 1.092 1.00 64.30 H new ATOM 462 N GLN A 32 -11.605 -8.306 3.479 1.00 13.21 N ATOM 463 CA GLN A 32 -11.839 -8.179 4.911 1.00 2.11 C ATOM 464 C GLN A 32 -10.530 -7.899 5.640 1.00 54.22 C ATOM 465 O GLN A 32 -10.518 -7.321 6.725 1.00 14.14 O ATOM 466 CB GLN A 32 -12.487 -9.457 5.445 1.00 73.13 C ATOM 467 CG GLN A 32 -12.753 -9.439 6.940 1.00 43.43 C ATOM 468 CD GLN A 32 -13.466 -10.688 7.411 1.00 2.34 C ATOM 469 OE1 GLN A 32 -14.694 -10.737 7.438 1.00 51.32 O ATOM 470 NE2 GLN A 32 -12.710 -11.707 7.786 1.00 51.24 N ATOM 0 H GLN A 32 -11.735 -9.249 3.113 1.00 13.21 H new ATOM 0 HA GLN A 32 -12.514 -7.341 5.087 1.00 2.11 H new ATOM 0 HB2 GLN A 32 -13.429 -9.620 4.921 1.00 73.13 H new ATOM 0 HB3 GLN A 32 -11.841 -10.304 5.212 1.00 73.13 H new ATOM 0 HG2 GLN A 32 -11.808 -9.340 7.474 1.00 43.43 H new ATOM 0 HG3 GLN A 32 -13.354 -8.564 7.190 1.00 43.43 H new ATOM 0 HE21 GLN A 32 -11.694 -11.629 7.749 1.00 51.24 H new ATOM 0 HE22 GLN A 32 -13.144 -12.571 8.112 1.00 51.24 H new ATOM 479 N LYS A 33 -9.427 -8.299 5.023 1.00 72.25 N ATOM 480 CA LYS A 33 -8.112 -8.119 5.611 1.00 63.44 C ATOM 481 C LYS A 33 -7.237 -7.297 4.664 1.00 33.21 C ATOM 482 O LYS A 33 -6.006 -7.343 4.725 1.00 52.55 O ATOM 483 CB LYS A 33 -7.481 -9.488 5.882 1.00 73.31 C ATOM 484 CG LYS A 33 -6.341 -9.450 6.881 1.00 14.43 C ATOM 485 CD LYS A 33 -5.821 -10.843 7.177 1.00 43.12 C ATOM 486 CE LYS A 33 -4.760 -10.823 8.258 1.00 10.31 C ATOM 487 NZ LYS A 33 -4.277 -12.188 8.580 1.00 64.12 N ATOM 0 H LYS A 33 -9.420 -8.753 4.110 1.00 72.25 H new ATOM 0 HA LYS A 33 -8.199 -7.583 6.556 1.00 63.44 H new ATOM 0 HB2 LYS A 33 -8.251 -10.166 6.249 1.00 73.31 H new ATOM 0 HB3 LYS A 33 -7.114 -9.901 4.942 1.00 73.31 H new ATOM 0 HG2 LYS A 33 -5.532 -8.833 6.490 1.00 14.43 H new ATOM 0 HG3 LYS A 33 -6.680 -8.982 7.805 1.00 14.43 H new ATOM 0 HD2 LYS A 33 -6.647 -11.482 7.489 1.00 43.12 H new ATOM 0 HD3 LYS A 33 -5.407 -11.278 6.268 1.00 43.12 H new ATOM 0 HE2 LYS A 33 -3.921 -10.208 7.933 1.00 10.31 H new ATOM 0 HE3 LYS A 33 -5.166 -10.359 9.157 1.00 10.31 H new ATOM 0 HZ1 LYS A 33 -3.552 -12.133 9.324 1.00 64.12 H new ATOM 0 HZ2 LYS A 33 -5.073 -12.768 8.914 1.00 64.12 H new ATOM 0 HZ3 LYS A 33 -3.867 -12.621 7.728 1.00 64.12 H new ATOM 501 N VAL A 34 -7.889 -6.542 3.786 1.00 22.52 N ATOM 502 CA VAL A 34 -7.187 -5.737 2.792 1.00 52.24 C ATOM 503 C VAL A 34 -7.779 -4.333 2.716 1.00 12.22 C ATOM 504 O VAL A 34 -8.889 -4.147 2.221 1.00 0.33 O ATOM 505 CB VAL A 34 -7.248 -6.377 1.384 1.00 55.01 C ATOM 506 CG1 VAL A 34 -6.523 -5.505 0.366 1.00 43.31 C ATOM 507 CG2 VAL A 34 -6.663 -7.781 1.396 1.00 41.55 C ATOM 0 H VAL A 34 -8.906 -6.471 3.742 1.00 22.52 H new ATOM 0 HA VAL A 34 -6.146 -5.686 3.111 1.00 52.24 H new ATOM 0 HB VAL A 34 -8.296 -6.450 1.093 1.00 55.01 H new ATOM 0 HG11 VAL A 34 -6.577 -5.972 -0.617 1.00 43.31 H new ATOM 0 HG12 VAL A 34 -6.994 -4.523 0.328 1.00 43.31 H new ATOM 0 HG13 VAL A 34 -5.479 -5.396 0.659 1.00 43.31 H new ATOM 0 HG21 VAL A 34 -6.719 -8.207 0.394 1.00 41.55 H new ATOM 0 HG22 VAL A 34 -5.622 -7.739 1.715 1.00 41.55 H new ATOM 0 HG23 VAL A 34 -7.229 -8.405 2.088 1.00 41.55 H new ATOM 517 N GLN A 35 -7.036 -3.354 3.222 1.00 44.54 N ATOM 518 CA GLN A 35 -7.434 -1.956 3.121 1.00 23.14 C ATOM 519 C GLN A 35 -6.255 -1.054 3.473 1.00 52.20 C ATOM 520 O GLN A 35 -5.323 -1.485 4.156 1.00 42.10 O ATOM 521 CB GLN A 35 -8.623 -1.650 4.044 1.00 14.13 C ATOM 522 CG GLN A 35 -9.221 -0.267 3.816 1.00 74.15 C ATOM 523 CD GLN A 35 -10.350 0.062 4.770 1.00 70.01 C ATOM 524 OE1 GLN A 35 -10.126 0.607 5.850 1.00 4.12 O ATOM 525 NE2 GLN A 35 -11.572 -0.254 4.376 1.00 42.43 N ATOM 0 H GLN A 35 -6.152 -3.505 3.708 1.00 44.54 H new ATOM 0 HA GLN A 35 -7.744 -1.763 2.094 1.00 23.14 H new ATOM 0 HB2 GLN A 35 -9.396 -2.403 3.891 1.00 14.13 H new ATOM 0 HB3 GLN A 35 -8.299 -1.732 5.082 1.00 14.13 H new ATOM 0 HG2 GLN A 35 -8.436 0.482 3.921 1.00 74.15 H new ATOM 0 HG3 GLN A 35 -9.589 -0.202 2.792 1.00 74.15 H new ATOM 0 HE21 GLN A 35 -11.716 -0.705 3.473 1.00 42.43 H new ATOM 0 HE22 GLN A 35 -12.371 -0.046 4.975 1.00 42.43 H new ATOM 534 N VAL A 36 -6.291 0.181 2.988 1.00 33.43 N ATOM 535 CA VAL A 36 -5.268 1.165 3.308 1.00 71.30 C ATOM 536 C VAL A 36 -5.445 1.655 4.739 1.00 40.33 C ATOM 537 O VAL A 36 -6.524 2.117 5.109 1.00 34.42 O ATOM 538 CB VAL A 36 -5.328 2.372 2.347 1.00 33.43 C ATOM 539 CG1 VAL A 36 -4.230 3.378 2.667 1.00 53.42 C ATOM 540 CG2 VAL A 36 -5.223 1.910 0.901 1.00 23.34 C ATOM 0 H VAL A 36 -7.024 0.525 2.367 1.00 33.43 H new ATOM 0 HA VAL A 36 -4.297 0.682 3.198 1.00 71.30 H new ATOM 0 HB VAL A 36 -6.290 2.865 2.484 1.00 33.43 H new ATOM 0 HG11 VAL A 36 -4.294 4.219 1.976 1.00 53.42 H new ATOM 0 HG12 VAL A 36 -4.353 3.738 3.689 1.00 53.42 H new ATOM 0 HG13 VAL A 36 -3.256 2.898 2.566 1.00 53.42 H new ATOM 0 HG21 VAL A 36 -5.267 2.775 0.239 1.00 23.34 H new ATOM 0 HG22 VAL A 36 -4.278 1.388 0.754 1.00 23.34 H new ATOM 0 HG23 VAL A 36 -6.049 1.236 0.673 1.00 23.34 H new ATOM 550 N ILE A 37 -4.394 1.550 5.538 1.00 75.53 N ATOM 551 CA ILE A 37 -4.467 1.965 6.929 1.00 31.33 C ATOM 552 C ILE A 37 -4.138 3.446 7.064 1.00 21.35 C ATOM 553 O ILE A 37 -4.941 4.225 7.575 1.00 64.31 O ATOM 554 CB ILE A 37 -3.511 1.144 7.824 1.00 13.42 C ATOM 555 CG1 ILE A 37 -3.776 -0.351 7.660 1.00 42.41 C ATOM 556 CG2 ILE A 37 -3.671 1.548 9.282 1.00 62.42 C ATOM 557 CD1 ILE A 37 -2.517 -1.185 7.571 1.00 22.11 C ATOM 0 H ILE A 37 -3.487 1.184 5.249 1.00 75.53 H new ATOM 0 HA ILE A 37 -5.489 1.785 7.263 1.00 31.33 H new ATOM 0 HB ILE A 37 -2.487 1.352 7.514 1.00 13.42 H new ATOM 0 HG12 ILE A 37 -4.374 -0.700 8.502 1.00 42.41 H new ATOM 0 HG13 ILE A 37 -4.371 -0.509 6.760 1.00 42.41 H new ATOM 0 HG21 ILE A 37 -2.991 0.961 9.899 1.00 62.42 H new ATOM 0 HG22 ILE A 37 -3.439 2.607 9.394 1.00 62.42 H new ATOM 0 HG23 ILE A 37 -4.698 1.366 9.599 1.00 62.42 H new ATOM 0 HD11 ILE A 37 -2.784 -2.236 7.456 1.00 22.11 H new ATOM 0 HD12 ILE A 37 -1.928 -0.864 6.712 1.00 22.11 H new ATOM 0 HD13 ILE A 37 -1.931 -1.057 8.481 1.00 22.11 H new ATOM 569 N SER A 38 -2.966 3.836 6.582 1.00 34.45 N ATOM 570 CA SER A 38 -2.526 5.221 6.672 1.00 72.23 C ATOM 571 C SER A 38 -1.735 5.600 5.435 1.00 13.12 C ATOM 572 O SER A 38 -1.221 4.735 4.727 1.00 35.10 O ATOM 573 CB SER A 38 -1.666 5.423 7.923 1.00 63.14 C ATOM 574 OG SER A 38 -2.302 4.892 9.074 1.00 10.33 O ATOM 0 H SER A 38 -2.302 3.212 6.124 1.00 34.45 H new ATOM 0 HA SER A 38 -3.405 5.862 6.740 1.00 72.23 H new ATOM 0 HB2 SER A 38 -0.698 4.941 7.784 1.00 63.14 H new ATOM 0 HB3 SER A 38 -1.474 6.486 8.068 1.00 63.14 H new ATOM 0 HG SER A 38 -1.731 5.033 9.858 1.00 10.33 H new ATOM 580 N GLU A 39 -1.640 6.891 5.178 1.00 20.54 N ATOM 581 CA GLU A 39 -0.922 7.376 4.020 1.00 70.11 C ATOM 582 C GLU A 39 0.079 8.449 4.416 1.00 15.52 C ATOM 583 O GLU A 39 -0.174 9.256 5.315 1.00 1.30 O ATOM 584 CB GLU A 39 -1.897 7.925 2.976 1.00 44.03 C ATOM 585 CG GLU A 39 -2.803 9.020 3.503 1.00 71.04 C ATOM 586 CD GLU A 39 -3.654 9.645 2.418 1.00 62.25 C ATOM 587 OE1 GLU A 39 -3.176 10.588 1.749 1.00 51.31 O ATOM 588 OE2 GLU A 39 -4.810 9.206 2.232 1.00 41.40 O ATOM 0 H GLU A 39 -2.053 7.622 5.758 1.00 20.54 H new ATOM 0 HA GLU A 39 -0.377 6.539 3.585 1.00 70.11 H new ATOM 0 HB2 GLU A 39 -1.329 8.312 2.130 1.00 44.03 H new ATOM 0 HB3 GLU A 39 -2.512 7.107 2.600 1.00 44.03 H new ATOM 0 HG2 GLU A 39 -3.452 8.609 4.276 1.00 71.04 H new ATOM 0 HG3 GLU A 39 -2.196 9.793 3.974 1.00 71.04 H new ATOM 595 N ASN A 40 1.224 8.432 3.764 1.00 14.12 N ATOM 596 CA ASN A 40 2.233 9.458 3.956 1.00 32.51 C ATOM 597 C ASN A 40 2.339 10.272 2.683 1.00 75.02 C ATOM 598 O ASN A 40 1.712 9.933 1.676 1.00 62.33 O ATOM 599 CB ASN A 40 3.603 8.859 4.280 1.00 50.41 C ATOM 600 CG ASN A 40 3.575 7.866 5.425 1.00 24.04 C ATOM 601 OD1 ASN A 40 3.687 8.240 6.594 1.00 35.25 O ATOM 602 ND2 ASN A 40 3.445 6.592 5.098 1.00 23.42 N ATOM 0 H ASN A 40 1.482 7.712 3.089 1.00 14.12 H new ATOM 0 HA ASN A 40 1.933 10.080 4.800 1.00 32.51 H new ATOM 0 HB2 ASN A 40 3.994 8.365 3.391 1.00 50.41 H new ATOM 0 HB3 ASN A 40 4.294 9.665 4.526 1.00 50.41 H new ATOM 0 HD21 ASN A 40 3.435 5.877 5.826 1.00 23.42 H new ATOM 0 HD22 ASN A 40 3.355 6.324 4.118 1.00 23.42 H new ATOM 609 N SER A 41 3.116 11.340 2.721 1.00 42.14 N ATOM 610 CA SER A 41 3.350 12.148 1.539 1.00 30.14 C ATOM 611 C SER A 41 4.303 11.416 0.593 1.00 23.23 C ATOM 612 O SER A 41 5.461 11.800 0.427 1.00 54.24 O ATOM 613 CB SER A 41 3.921 13.510 1.934 1.00 4.03 C ATOM 614 OG SER A 41 3.731 14.468 0.902 1.00 42.02 O ATOM 0 H SER A 41 3.596 11.668 3.559 1.00 42.14 H new ATOM 0 HA SER A 41 2.403 12.312 1.024 1.00 30.14 H new ATOM 0 HB2 SER A 41 3.440 13.857 2.848 1.00 4.03 H new ATOM 0 HB3 SER A 41 4.985 13.412 2.151 1.00 4.03 H new ATOM 0 HG SER A 41 4.104 15.330 1.183 1.00 42.02 H new ATOM 620 N GLY A 42 3.812 10.335 0.009 1.00 11.45 N ATOM 621 CA GLY A 42 4.610 9.529 -0.888 1.00 13.14 C ATOM 622 C GLY A 42 4.078 8.116 -0.975 1.00 62.54 C ATOM 623 O GLY A 42 3.431 7.748 -1.956 1.00 22.31 O ATOM 0 H GLY A 42 2.859 9.998 0.144 1.00 11.45 H new ATOM 0 HA2 GLY A 42 4.614 9.980 -1.880 1.00 13.14 H new ATOM 0 HA3 GLY A 42 5.643 9.510 -0.542 1.00 13.14 H new ATOM 627 N TRP A 43 4.333 7.327 0.060 1.00 52.40 N ATOM 628 CA TRP A 43 3.849 5.955 0.116 1.00 53.32 C ATOM 629 C TRP A 43 2.913 5.760 1.302 1.00 33.22 C ATOM 630 O TRP A 43 3.095 6.361 2.361 1.00 73.34 O ATOM 631 CB TRP A 43 5.019 4.969 0.192 1.00 63.03 C ATOM 632 CG TRP A 43 5.624 4.639 -1.143 1.00 63.21 C ATOM 633 CD1 TRP A 43 5.388 5.264 -2.333 1.00 40.20 C ATOM 634 CD2 TRP A 43 6.562 3.594 -1.418 1.00 51.44 C ATOM 635 NE1 TRP A 43 6.121 4.672 -3.331 1.00 3.41 N ATOM 636 CE2 TRP A 43 6.849 3.643 -2.797 1.00 14.52 C ATOM 637 CE3 TRP A 43 7.186 2.621 -0.633 1.00 21.02 C ATOM 638 CZ2 TRP A 43 7.736 2.757 -3.404 1.00 20.32 C ATOM 639 CZ3 TRP A 43 8.065 1.742 -1.236 1.00 11.43 C ATOM 640 CH2 TRP A 43 8.331 1.814 -2.609 1.00 65.35 C ATOM 0 H TRP A 43 4.874 7.615 0.875 1.00 52.40 H new ATOM 0 HA TRP A 43 3.291 5.757 -0.799 1.00 53.32 H new ATOM 0 HB2 TRP A 43 5.792 5.387 0.837 1.00 63.03 H new ATOM 0 HB3 TRP A 43 4.675 4.048 0.662 1.00 63.03 H new ATOM 0 HD1 TRP A 43 4.721 6.103 -2.470 1.00 40.20 H new ATOM 0 HE1 TRP A 43 6.123 4.953 -4.311 1.00 3.41 H new ATOM 0 HE3 TRP A 43 6.985 2.557 0.426 1.00 21.02 H new ATOM 0 HZ2 TRP A 43 7.947 2.812 -4.462 1.00 20.32 H new ATOM 0 HZ3 TRP A 43 8.555 0.987 -0.639 1.00 11.43 H new ATOM 0 HH2 TRP A 43 9.021 1.110 -3.051 1.00 65.35 H new ATOM 651 N SER A 44 1.908 4.925 1.108 1.00 23.55 N ATOM 652 CA SER A 44 0.925 4.635 2.137 1.00 25.12 C ATOM 653 C SER A 44 1.220 3.289 2.802 1.00 72.12 C ATOM 654 O SER A 44 1.593 2.321 2.133 1.00 14.45 O ATOM 655 CB SER A 44 -0.473 4.620 1.519 1.00 0.01 C ATOM 656 OG SER A 44 -0.739 5.842 0.851 1.00 74.32 O ATOM 0 H SER A 44 1.750 4.428 0.231 1.00 23.55 H new ATOM 0 HA SER A 44 0.976 5.411 2.900 1.00 25.12 H new ATOM 0 HB2 SER A 44 -0.557 3.790 0.817 1.00 0.01 H new ATOM 0 HB3 SER A 44 -1.218 4.456 2.297 1.00 0.01 H new ATOM 0 HG SER A 44 -1.637 5.813 0.461 1.00 74.32 H new ATOM 662 N LYS A 45 1.056 3.246 4.114 1.00 22.34 N ATOM 663 CA LYS A 45 1.266 2.056 4.902 1.00 12.32 C ATOM 664 C LYS A 45 0.029 1.160 4.843 1.00 12.24 C ATOM 665 O LYS A 45 -1.046 1.540 5.314 1.00 34.21 O ATOM 666 CB LYS A 45 1.535 2.510 6.332 1.00 63.11 C ATOM 667 CG LYS A 45 1.705 1.404 7.344 1.00 11.03 C ATOM 668 CD LYS A 45 3.039 0.709 7.215 1.00 23.34 C ATOM 669 CE LYS A 45 2.946 -0.543 6.368 1.00 51.13 C ATOM 670 NZ LYS A 45 4.069 -1.482 6.645 1.00 51.12 N ATOM 0 H LYS A 45 0.768 4.055 4.665 1.00 22.34 H new ATOM 0 HA LYS A 45 2.107 1.477 4.520 1.00 12.32 H new ATOM 0 HB2 LYS A 45 2.436 3.124 6.336 1.00 63.11 H new ATOM 0 HB3 LYS A 45 0.712 3.149 6.653 1.00 63.11 H new ATOM 0 HG2 LYS A 45 1.608 1.816 8.349 1.00 11.03 H new ATOM 0 HG3 LYS A 45 0.904 0.675 7.220 1.00 11.03 H new ATOM 0 HD2 LYS A 45 3.763 1.393 6.773 1.00 23.34 H new ATOM 0 HD3 LYS A 45 3.410 0.449 8.206 1.00 23.34 H new ATOM 0 HE2 LYS A 45 1.997 -1.043 6.562 1.00 51.13 H new ATOM 0 HE3 LYS A 45 2.952 -0.270 5.313 1.00 51.13 H new ATOM 0 HZ1 LYS A 45 3.900 -2.381 6.150 1.00 51.12 H new ATOM 0 HZ2 LYS A 45 4.961 -1.065 6.310 1.00 51.12 H new ATOM 0 HZ3 LYS A 45 4.131 -1.657 7.668 1.00 51.12 H new ATOM 684 N ILE A 46 0.173 -0.020 4.251 1.00 55.11 N ATOM 685 CA ILE A 46 -0.949 -0.936 4.112 1.00 62.34 C ATOM 686 C ILE A 46 -0.576 -2.344 4.541 1.00 65.12 C ATOM 687 O ILE A 46 0.596 -2.657 4.751 1.00 64.15 O ATOM 688 CB ILE A 46 -1.483 -0.984 2.662 1.00 73.54 C ATOM 689 CG1 ILE A 46 -0.350 -1.262 1.678 1.00 62.05 C ATOM 690 CG2 ILE A 46 -2.184 0.319 2.311 1.00 15.04 C ATOM 691 CD1 ILE A 46 -0.810 -1.346 0.242 1.00 12.20 C ATOM 0 H ILE A 46 1.052 -0.362 3.862 1.00 55.11 H new ATOM 0 HA ILE A 46 -1.732 -0.552 4.765 1.00 62.34 H new ATOM 0 HB ILE A 46 -2.205 -1.797 2.590 1.00 73.54 H new ATOM 0 HG12 ILE A 46 0.399 -0.475 1.766 1.00 62.05 H new ATOM 0 HG13 ILE A 46 0.137 -2.198 1.951 1.00 62.05 H new ATOM 0 HG21 ILE A 46 -2.554 0.269 1.287 1.00 15.04 H new ATOM 0 HG22 ILE A 46 -3.021 0.477 2.992 1.00 15.04 H new ATOM 0 HG23 ILE A 46 -1.481 1.147 2.402 1.00 15.04 H new ATOM 0 HD11 ILE A 46 0.046 -1.545 -0.403 1.00 12.20 H new ATOM 0 HD12 ILE A 46 -1.537 -2.151 0.139 1.00 12.20 H new ATOM 0 HD13 ILE A 46 -1.271 -0.402 -0.048 1.00 12.20 H new ATOM 703 N ASN A 47 -1.587 -3.175 4.682 1.00 65.01 N ATOM 704 CA ASN A 47 -1.400 -4.579 4.994 1.00 12.14 C ATOM 705 C ASN A 47 -2.248 -5.403 4.042 1.00 74.31 C ATOM 706 O ASN A 47 -3.477 -5.316 4.060 1.00 33.51 O ATOM 707 CB ASN A 47 -1.807 -4.865 6.440 1.00 1.41 C ATOM 708 CG ASN A 47 -1.525 -6.299 6.850 1.00 25.44 C ATOM 709 OD1 ASN A 47 -2.353 -7.189 6.657 1.00 63.43 O ATOM 710 ND2 ASN A 47 -0.357 -6.528 7.430 1.00 10.33 N ATOM 0 H ASN A 47 -2.564 -2.897 4.584 1.00 65.01 H new ATOM 0 HA ASN A 47 -0.348 -4.842 4.880 1.00 12.14 H new ATOM 0 HB2 ASN A 47 -1.271 -4.188 7.106 1.00 1.41 H new ATOM 0 HB3 ASN A 47 -2.870 -4.658 6.563 1.00 1.41 H new ATOM 0 HD21 ASN A 47 -0.115 -7.471 7.736 1.00 10.33 H new ATOM 0 HD22 ASN A 47 0.301 -5.762 7.571 1.00 10.33 H new ATOM 717 N TYR A 48 -1.600 -6.182 3.194 1.00 32.44 N ATOM 718 CA TYR A 48 -2.313 -6.940 2.181 1.00 32.41 C ATOM 719 C TYR A 48 -2.488 -8.382 2.629 1.00 15.12 C ATOM 720 O TYR A 48 -1.639 -9.229 2.370 1.00 21.41 O ATOM 721 CB TYR A 48 -1.574 -6.877 0.839 1.00 35.30 C ATOM 722 CG TYR A 48 -2.394 -7.365 -0.335 1.00 44.33 C ATOM 723 CD1 TYR A 48 -3.354 -6.550 -0.916 1.00 51.25 C ATOM 724 CD2 TYR A 48 -2.211 -8.636 -0.863 1.00 74.52 C ATOM 725 CE1 TYR A 48 -4.109 -6.985 -1.984 1.00 24.40 C ATOM 726 CE2 TYR A 48 -2.962 -9.079 -1.932 1.00 21.14 C ATOM 727 CZ TYR A 48 -3.910 -8.251 -2.487 1.00 22.43 C ATOM 728 OH TYR A 48 -4.659 -8.686 -3.556 1.00 74.13 O ATOM 0 H TYR A 48 -0.588 -6.306 3.186 1.00 32.44 H new ATOM 0 HA TYR A 48 -3.300 -6.497 2.046 1.00 32.41 H new ATOM 0 HB2 TYR A 48 -1.267 -5.848 0.652 1.00 35.30 H new ATOM 0 HB3 TYR A 48 -0.665 -7.474 0.908 1.00 35.30 H new ATOM 0 HD1 TYR A 48 -3.513 -5.556 -0.524 1.00 51.25 H new ATOM 0 HD2 TYR A 48 -1.468 -9.289 -0.429 1.00 74.52 H new ATOM 0 HE1 TYR A 48 -4.852 -6.336 -2.424 1.00 24.40 H new ATOM 0 HE2 TYR A 48 -2.807 -10.070 -2.331 1.00 21.14 H new ATOM 0 HH TYR A 48 -4.395 -9.600 -3.790 1.00 74.13 H new ATOM 738 N ASN A 49 -3.575 -8.637 3.344 1.00 22.42 N ATOM 739 CA ASN A 49 -3.906 -9.983 3.811 1.00 22.44 C ATOM 740 C ASN A 49 -2.784 -10.548 4.688 1.00 52.22 C ATOM 741 O ASN A 49 -2.335 -11.680 4.509 1.00 12.41 O ATOM 742 CB ASN A 49 -4.194 -10.918 2.623 1.00 12.43 C ATOM 743 CG ASN A 49 -4.929 -12.183 3.036 1.00 23.40 C ATOM 744 OD1 ASN A 49 -4.317 -13.197 3.375 1.00 3.31 O ATOM 745 ND2 ASN A 49 -6.251 -12.130 3.002 1.00 40.25 N ATOM 0 H ASN A 49 -4.251 -7.924 3.617 1.00 22.42 H new ATOM 0 HA ASN A 49 -4.809 -9.917 4.418 1.00 22.44 H new ATOM 0 HB2 ASN A 49 -4.788 -10.384 1.881 1.00 12.43 H new ATOM 0 HB3 ASN A 49 -3.254 -11.189 2.143 1.00 12.43 H new ATOM 0 HD21 ASN A 49 -6.801 -12.949 3.262 1.00 40.25 H new ATOM 0 HD22 ASN A 49 -6.720 -11.271 2.715 1.00 40.25 H new ATOM 752 N GLY A 50 -2.316 -9.741 5.628 1.00 20.32 N ATOM 753 CA GLY A 50 -1.360 -10.221 6.606 1.00 62.31 C ATOM 754 C GLY A 50 0.086 -9.981 6.219 1.00 71.14 C ATOM 755 O GLY A 50 0.989 -10.243 7.014 1.00 62.12 O ATOM 0 H GLY A 50 -2.581 -8.761 5.732 1.00 20.32 H new ATOM 0 HA2 GLY A 50 -1.556 -9.734 7.561 1.00 62.31 H new ATOM 0 HA3 GLY A 50 -1.513 -11.290 6.756 1.00 62.31 H new ATOM 759 N GLN A 51 0.327 -9.489 5.011 1.00 73.31 N ATOM 760 CA GLN A 51 1.694 -9.252 4.565 1.00 3.24 C ATOM 761 C GLN A 51 1.967 -7.760 4.387 1.00 54.33 C ATOM 762 O GLN A 51 1.040 -6.950 4.295 1.00 5.51 O ATOM 763 CB GLN A 51 1.988 -10.011 3.267 1.00 43.23 C ATOM 764 CG GLN A 51 1.293 -9.444 2.043 1.00 13.10 C ATOM 765 CD GLN A 51 1.359 -10.381 0.852 1.00 25.31 C ATOM 766 OE1 GLN A 51 1.383 -11.601 1.008 1.00 1.52 O ATOM 767 NE2 GLN A 51 1.391 -9.819 -0.342 1.00 10.40 N ATOM 0 H GLN A 51 -0.394 -9.249 4.331 1.00 73.31 H new ATOM 0 HA GLN A 51 2.362 -9.628 5.340 1.00 3.24 H new ATOM 0 HB2 GLN A 51 3.064 -10.008 3.094 1.00 43.23 H new ATOM 0 HB3 GLN A 51 1.688 -11.051 3.392 1.00 43.23 H new ATOM 0 HG2 GLN A 51 0.250 -9.240 2.283 1.00 13.10 H new ATOM 0 HG3 GLN A 51 1.751 -8.491 1.778 1.00 13.10 H new ATOM 0 HE21 GLN A 51 1.369 -8.803 -0.428 1.00 10.40 H new ATOM 0 HE22 GLN A 51 1.437 -10.401 -1.178 1.00 10.40 H new ATOM 776 N THR A 52 3.245 -7.416 4.342 1.00 30.01 N ATOM 777 CA THR A 52 3.680 -6.033 4.253 1.00 45.01 C ATOM 778 C THR A 52 3.447 -5.451 2.859 1.00 73.15 C ATOM 779 O THR A 52 3.586 -6.153 1.857 1.00 31.44 O ATOM 780 CB THR A 52 5.175 -5.932 4.612 1.00 14.14 C ATOM 781 OG1 THR A 52 5.400 -6.508 5.908 1.00 54.32 O ATOM 782 CG2 THR A 52 5.650 -4.485 4.606 1.00 24.02 C ATOM 0 H THR A 52 4.010 -8.090 4.366 1.00 30.01 H new ATOM 0 HA THR A 52 3.086 -5.454 4.960 1.00 45.01 H new ATOM 0 HB THR A 52 5.743 -6.479 3.859 1.00 14.14 H new ATOM 0 HG1 THR A 52 6.352 -6.444 6.134 1.00 54.32 H new ATOM 0 HG21 THR A 52 6.709 -4.448 4.863 1.00 24.02 H new ATOM 0 HG22 THR A 52 5.503 -4.058 3.614 1.00 24.02 H new ATOM 0 HG23 THR A 52 5.079 -3.912 5.336 1.00 24.02 H new ATOM 790 N GLY A 53 3.075 -4.173 2.804 1.00 51.23 N ATOM 791 CA GLY A 53 2.909 -3.511 1.531 1.00 51.32 C ATOM 792 C GLY A 53 2.918 -2.000 1.657 1.00 13.43 C ATOM 793 O GLY A 53 2.625 -1.452 2.726 1.00 33.52 O ATOM 0 H GLY A 53 2.887 -3.590 3.620 1.00 51.23 H new ATOM 0 HA2 GLY A 53 3.708 -3.821 0.857 1.00 51.32 H new ATOM 0 HA3 GLY A 53 1.969 -3.829 1.079 1.00 51.32 H new ATOM 797 N TYR A 54 3.273 -1.334 0.568 1.00 40.44 N ATOM 798 CA TYR A 54 3.189 0.118 0.478 1.00 34.30 C ATOM 799 C TYR A 54 2.728 0.510 -0.920 1.00 5.33 C ATOM 800 O TYR A 54 3.067 -0.158 -1.899 1.00 41.21 O ATOM 801 CB TYR A 54 4.543 0.786 0.754 1.00 1.33 C ATOM 802 CG TYR A 54 5.059 0.638 2.168 1.00 4.42 C ATOM 803 CD1 TYR A 54 4.487 1.344 3.223 1.00 72.42 C ATOM 804 CD2 TYR A 54 6.143 -0.188 2.445 1.00 20.55 C ATOM 805 CE1 TYR A 54 4.975 1.225 4.502 1.00 44.33 C ATOM 806 CE2 TYR A 54 6.632 -0.313 3.730 1.00 44.34 C ATOM 807 CZ TYR A 54 6.044 0.398 4.753 1.00 50.42 C ATOM 808 OH TYR A 54 6.522 0.282 6.038 1.00 11.25 O ATOM 0 H TYR A 54 3.627 -1.783 -0.277 1.00 40.44 H new ATOM 0 HA TYR A 54 2.478 0.457 1.232 1.00 34.30 H new ATOM 0 HB2 TYR A 54 5.282 0.369 0.069 1.00 1.33 H new ATOM 0 HB3 TYR A 54 4.459 1.848 0.524 1.00 1.33 H new ATOM 0 HD1 TYR A 54 3.647 1.995 3.033 1.00 72.42 H new ATOM 0 HD2 TYR A 54 6.609 -0.740 1.643 1.00 20.55 H new ATOM 0 HE1 TYR A 54 4.520 1.780 5.309 1.00 44.33 H new ATOM 0 HE2 TYR A 54 7.470 -0.964 3.932 1.00 44.34 H new ATOM 0 HH TYR A 54 7.279 -0.341 6.051 1.00 11.25 H new ATOM 818 N ILE A 55 1.951 1.575 -1.020 1.00 35.04 N ATOM 819 CA ILE A 55 1.510 2.071 -2.320 1.00 1.52 C ATOM 820 C ILE A 55 1.744 3.569 -2.428 1.00 23.24 C ATOM 821 O ILE A 55 1.650 4.286 -1.437 1.00 41.12 O ATOM 822 CB ILE A 55 0.015 1.757 -2.599 1.00 11.11 C ATOM 823 CG1 ILE A 55 -0.899 2.299 -1.494 1.00 75.23 C ATOM 824 CG2 ILE A 55 -0.196 0.265 -2.765 1.00 43.13 C ATOM 825 CD1 ILE A 55 -1.497 3.657 -1.802 1.00 32.24 C ATOM 0 H ILE A 55 1.612 2.113 -0.223 1.00 35.04 H new ATOM 0 HA ILE A 55 2.105 1.551 -3.071 1.00 1.52 H new ATOM 0 HB ILE A 55 -0.252 2.260 -3.528 1.00 11.11 H new ATOM 0 HG12 ILE A 55 -1.707 1.588 -1.323 1.00 75.23 H new ATOM 0 HG13 ILE A 55 -0.331 2.365 -0.566 1.00 75.23 H new ATOM 0 HG21 ILE A 55 -1.250 0.066 -2.960 1.00 43.13 H new ATOM 0 HG22 ILE A 55 0.402 -0.096 -3.602 1.00 43.13 H new ATOM 0 HG23 ILE A 55 0.108 -0.249 -1.853 1.00 43.13 H new ATOM 0 HD11 ILE A 55 -2.131 3.972 -0.973 1.00 32.24 H new ATOM 0 HD12 ILE A 55 -0.697 4.383 -1.943 1.00 32.24 H new ATOM 0 HD13 ILE A 55 -2.094 3.594 -2.712 1.00 32.24 H new ATOM 837 N GLY A 56 2.078 4.030 -3.622 1.00 52.25 N ATOM 838 CA GLY A 56 2.197 5.452 -3.850 1.00 52.43 C ATOM 839 C GLY A 56 0.848 6.132 -3.772 1.00 74.32 C ATOM 840 O GLY A 56 -0.088 5.728 -4.460 1.00 42.12 O ATOM 0 H GLY A 56 2.268 3.445 -4.436 1.00 52.25 H new ATOM 0 HA2 GLY A 56 2.870 5.887 -3.111 1.00 52.43 H new ATOM 0 HA3 GLY A 56 2.641 5.630 -4.829 1.00 52.43 H new ATOM 844 N THR A 57 0.753 7.162 -2.938 1.00 53.43 N ATOM 845 CA THR A 57 -0.500 7.873 -2.710 1.00 45.32 C ATOM 846 C THR A 57 -1.086 8.428 -4.014 1.00 52.24 C ATOM 847 O THR A 57 -2.287 8.684 -4.106 1.00 10.22 O ATOM 848 CB THR A 57 -0.282 9.025 -1.715 1.00 54.24 C ATOM 849 OG1 THR A 57 0.592 8.594 -0.661 1.00 32.41 O ATOM 850 CG2 THR A 57 -1.603 9.483 -1.119 1.00 23.34 C ATOM 0 H THR A 57 1.540 7.527 -2.402 1.00 53.43 H new ATOM 0 HA THR A 57 -1.210 7.157 -2.297 1.00 45.32 H new ATOM 0 HB THR A 57 0.167 9.861 -2.251 1.00 54.24 H new ATOM 0 HG1 THR A 57 0.764 9.342 -0.052 1.00 32.41 H new ATOM 0 HG21 THR A 57 -1.423 10.298 -0.418 1.00 23.34 H new ATOM 0 HG22 THR A 57 -2.262 9.828 -1.916 1.00 23.34 H new ATOM 0 HG23 THR A 57 -2.073 8.651 -0.595 1.00 23.34 H new ATOM 858 N ARG A 58 -0.227 8.602 -5.018 1.00 54.21 N ATOM 859 CA ARG A 58 -0.641 9.061 -6.338 1.00 20.34 C ATOM 860 C ARG A 58 -1.720 8.160 -6.929 1.00 72.34 C ATOM 861 O ARG A 58 -2.631 8.632 -7.614 1.00 24.52 O ATOM 862 CB ARG A 58 0.571 9.093 -7.269 1.00 62.23 C ATOM 863 CG ARG A 58 1.537 10.218 -6.955 1.00 73.13 C ATOM 864 CD ARG A 58 2.875 10.033 -7.654 1.00 24.31 C ATOM 865 NE ARG A 58 3.858 11.011 -7.194 1.00 52.23 N ATOM 866 CZ ARG A 58 5.177 10.861 -7.308 1.00 72.21 C ATOM 867 NH1 ARG A 58 5.685 9.786 -7.900 1.00 73.24 N ATOM 868 NH2 ARG A 58 5.989 11.789 -6.823 1.00 72.22 N ATOM 0 H ARG A 58 0.775 8.428 -4.936 1.00 54.21 H new ATOM 0 HA ARG A 58 -1.059 10.062 -6.235 1.00 20.34 H new ATOM 0 HB2 ARG A 58 1.098 8.141 -7.201 1.00 62.23 H new ATOM 0 HB3 ARG A 58 0.227 9.195 -8.298 1.00 62.23 H new ATOM 0 HG2 ARG A 58 1.098 11.168 -7.259 1.00 73.13 H new ATOM 0 HG3 ARG A 58 1.695 10.270 -5.878 1.00 73.13 H new ATOM 0 HD2 ARG A 58 3.248 9.026 -7.468 1.00 24.31 H new ATOM 0 HD3 ARG A 58 2.741 10.130 -8.731 1.00 24.31 H new ATOM 0 HE ARG A 58 3.512 11.865 -6.757 1.00 52.23 H new ATOM 0 HH11 ARG A 58 5.064 9.067 -8.272 1.00 73.24 H new ATOM 0 HH12 ARG A 58 6.696 9.679 -7.983 1.00 73.24 H new ATOM 0 HH21 ARG A 58 5.604 12.615 -6.364 1.00 72.22 H new ATOM 0 HH22 ARG A 58 6.999 11.678 -6.908 1.00 72.22 H new ATOM 882 N TYR A 59 -1.634 6.872 -6.639 1.00 30.24 N ATOM 883 CA TYR A 59 -2.547 5.909 -7.224 1.00 30.23 C ATOM 884 C TYR A 59 -3.203 5.053 -6.154 1.00 13.43 C ATOM 885 O TYR A 59 -2.531 4.324 -5.425 1.00 55.22 O ATOM 886 CB TYR A 59 -1.793 5.029 -8.214 1.00 63.23 C ATOM 887 CG TYR A 59 -2.233 5.201 -9.644 1.00 54.43 C ATOM 888 CD1 TYR A 59 -2.038 6.405 -10.305 1.00 61.45 C ATOM 889 CD2 TYR A 59 -2.834 4.159 -10.336 1.00 30.31 C ATOM 890 CE1 TYR A 59 -2.429 6.569 -11.618 1.00 72.42 C ATOM 891 CE2 TYR A 59 -3.225 4.311 -11.650 1.00 54.42 C ATOM 892 CZ TYR A 59 -3.021 5.516 -12.289 1.00 32.43 C ATOM 893 OH TYR A 59 -3.407 5.662 -13.603 1.00 53.14 O ATOM 0 H TYR A 59 -0.943 6.472 -6.004 1.00 30.24 H new ATOM 0 HA TYR A 59 -3.335 6.452 -7.746 1.00 30.23 H new ATOM 0 HB2 TYR A 59 -0.728 5.250 -8.143 1.00 63.23 H new ATOM 0 HB3 TYR A 59 -1.922 3.985 -7.928 1.00 63.23 H new ATOM 0 HD1 TYR A 59 -1.572 7.228 -9.783 1.00 61.45 H new ATOM 0 HD2 TYR A 59 -2.998 3.215 -9.838 1.00 30.31 H new ATOM 0 HE1 TYR A 59 -2.273 7.514 -12.118 1.00 72.42 H new ATOM 0 HE2 TYR A 59 -3.689 3.490 -12.176 1.00 54.42 H new ATOM 0 HH TYR A 59 -3.805 4.825 -13.922 1.00 53.14 H new ATOM 903 N LEU A 60 -4.522 5.133 -6.084 1.00 13.54 N ATOM 904 CA LEU A 60 -5.293 4.372 -5.117 1.00 62.13 C ATOM 905 C LEU A 60 -6.612 3.959 -5.756 1.00 73.34 C ATOM 906 O LEU A 60 -7.071 4.588 -6.713 1.00 21.44 O ATOM 907 CB LEU A 60 -5.538 5.223 -3.861 1.00 14.21 C ATOM 908 CG LEU A 60 -5.294 4.525 -2.516 1.00 62.15 C ATOM 909 CD1 LEU A 60 -5.357 5.535 -1.381 1.00 20.04 C ATOM 910 CD2 LEU A 60 -6.308 3.415 -2.284 1.00 72.34 C ATOM 0 H LEU A 60 -5.086 5.725 -6.694 1.00 13.54 H new ATOM 0 HA LEU A 60 -4.745 3.478 -4.820 1.00 62.13 H new ATOM 0 HB2 LEU A 60 -4.897 6.103 -3.912 1.00 14.21 H new ATOM 0 HB3 LEU A 60 -6.569 5.577 -3.882 1.00 14.21 H new ATOM 0 HG LEU A 60 -4.300 4.079 -2.542 1.00 62.15 H new ATOM 0 HD11 LEU A 60 -5.182 5.028 -0.432 1.00 20.04 H new ATOM 0 HD12 LEU A 60 -4.593 6.298 -1.530 1.00 20.04 H new ATOM 0 HD13 LEU A 60 -6.341 6.004 -1.366 1.00 20.04 H new ATOM 0 HD21 LEU A 60 -6.112 2.938 -1.324 1.00 72.34 H new ATOM 0 HD22 LEU A 60 -7.314 3.836 -2.281 1.00 72.34 H new ATOM 0 HD23 LEU A 60 -6.226 2.675 -3.080 1.00 72.34 H new ATOM 922 N SER A 61 -7.211 2.899 -5.249 1.00 34.31 N ATOM 923 CA SER A 61 -8.440 2.388 -5.808 1.00 61.34 C ATOM 924 C SER A 61 -9.627 2.873 -4.998 1.00 31.05 C ATOM 925 O SER A 61 -9.559 2.972 -3.773 1.00 11.14 O ATOM 926 CB SER A 61 -8.419 0.857 -5.851 1.00 13.21 C ATOM 927 OG SER A 61 -9.592 0.343 -6.463 1.00 60.32 O ATOM 0 H SER A 61 -6.861 2.375 -4.447 1.00 34.31 H new ATOM 0 HA SER A 61 -8.534 2.760 -6.828 1.00 61.34 H new ATOM 0 HB2 SER A 61 -7.541 0.518 -6.401 1.00 13.21 H new ATOM 0 HB3 SER A 61 -8.332 0.464 -4.838 1.00 13.21 H new ATOM 0 HG SER A 61 -9.356 -0.415 -7.037 1.00 60.32 H new ATOM 933 N LYS A 62 -10.698 3.185 -5.698 1.00 53.43 N ATOM 934 CA LYS A 62 -11.937 3.602 -5.067 1.00 73.35 C ATOM 935 C LYS A 62 -12.568 2.439 -4.318 1.00 74.12 C ATOM 936 O LYS A 62 -12.571 1.301 -4.801 1.00 10.23 O ATOM 937 CB LYS A 62 -12.919 4.128 -6.118 1.00 11.10 C ATOM 938 CG LYS A 62 -12.466 5.407 -6.803 1.00 72.34 C ATOM 939 CD LYS A 62 -12.441 6.584 -5.839 1.00 3.03 C ATOM 940 CE LYS A 62 -12.133 7.885 -6.563 1.00 32.51 C ATOM 941 NZ LYS A 62 -13.121 8.168 -7.640 1.00 33.14 N ATOM 0 H LYS A 62 -10.736 3.157 -6.717 1.00 53.43 H new ATOM 0 HA LYS A 62 -11.709 4.400 -4.360 1.00 73.35 H new ATOM 0 HB2 LYS A 62 -13.073 3.358 -6.874 1.00 11.10 H new ATOM 0 HB3 LYS A 62 -13.884 4.305 -5.642 1.00 11.10 H new ATOM 0 HG2 LYS A 62 -11.472 5.261 -7.225 1.00 72.34 H new ATOM 0 HG3 LYS A 62 -13.135 5.631 -7.634 1.00 72.34 H new ATOM 0 HD2 LYS A 62 -13.404 6.665 -5.335 1.00 3.03 H new ATOM 0 HD3 LYS A 62 -11.692 6.409 -5.067 1.00 3.03 H new ATOM 0 HE2 LYS A 62 -12.131 8.707 -5.847 1.00 32.51 H new ATOM 0 HE3 LYS A 62 -11.133 7.833 -6.992 1.00 32.51 H new ATOM 0 HZ1 LYS A 62 -13.060 9.170 -7.913 1.00 33.14 H new ATOM 0 HZ2 LYS A 62 -12.914 7.571 -8.466 1.00 33.14 H new ATOM 0 HZ3 LYS A 62 -14.080 7.961 -7.295 1.00 33.14 H new