USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= -1.4 K(o=-0.55,f=-1.9!) USER MOD Set 1.2: A 61 SER OG : rot -154:sc= 0.848 USER MOD Set 2.1: A 33 LYS NZ :NH3+ 161:sc= 1.24 (180deg=-0.103) USER MOD Set 2.2: A 49 ASN : amide:sc= 1.03 K(o=2.3,f=-7.8!) USER MOD Set 3.1: A 16 SER OG : rot -34:sc= 0.53 USER MOD Set 3.2: A 21 ASN : amide:sc= -2.15 K(o=-1.6,f=-5.8!) USER MOD Single : A 20 THR OG1 : rot 150:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.459 F(o=-1.2,f=-0.46) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0262 F(o=-1.4!,f=-0.026) 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 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 SER OG : rot -28:sc= 0.14 USER MOD Single : A 44 SER OG : rot 180:sc= -0.356 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.215 (180deg=-0.886) USER MOD Single : A 47 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.47) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.0052) 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 171:sc= 1.27 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -8.902 0.950 -10.390 1.00 62.40 N ATOM 155 CA ALA A 11 -8.727 -0.241 -9.559 1.00 15.12 C ATOM 156 C ALA A 11 -7.280 -0.712 -9.588 1.00 35.13 C ATOM 157 O ALA A 11 -6.758 -1.216 -8.594 1.00 73.42 O ATOM 158 CB ALA A 11 -9.628 -1.375 -10.025 1.00 74.30 C ATOM 0 HA ALA A 11 -8.999 0.033 -8.540 1.00 15.12 H new ATOM 0 HB1 ALA A 11 -9.475 -2.246 -9.388 1.00 74.30 H new ATOM 0 HB2 ALA A 11 -10.670 -1.060 -9.965 1.00 74.30 H new ATOM 0 HB3 ALA A 11 -9.385 -1.632 -11.056 1.00 74.30 H new ATOM 164 N LEU A 12 -6.633 -0.507 -10.729 1.00 52.23 N ATOM 165 CA LEU A 12 -5.313 -1.076 -11.008 1.00 52.21 C ATOM 166 C LEU A 12 -4.199 -0.384 -10.219 1.00 35.20 C ATOM 167 O LEU A 12 -3.019 -0.622 -10.473 1.00 23.04 O ATOM 168 CB LEU A 12 -4.991 -0.971 -12.510 1.00 32.11 C ATOM 169 CG LEU A 12 -5.962 -1.665 -13.480 1.00 70.50 C ATOM 170 CD1 LEU A 12 -6.255 -3.086 -13.032 1.00 72.13 C ATOM 171 CD2 LEU A 12 -7.252 -0.869 -13.638 1.00 31.03 C ATOM 0 H LEU A 12 -7.007 0.059 -11.491 1.00 52.23 H new ATOM 0 HA LEU A 12 -5.354 -2.120 -10.698 1.00 52.21 H new ATOM 0 HB2 LEU A 12 -4.945 0.086 -12.774 1.00 32.11 H new ATOM 0 HB3 LEU A 12 -3.996 -1.384 -12.673 1.00 32.11 H new ATOM 0 HG LEU A 12 -5.478 -1.710 -14.456 1.00 70.50 H new ATOM 0 HD11 LEU A 12 -6.944 -3.554 -13.735 1.00 72.13 H new ATOM 0 HD12 LEU A 12 -5.326 -3.656 -13.000 1.00 72.13 H new ATOM 0 HD13 LEU A 12 -6.705 -3.069 -12.039 1.00 72.13 H new ATOM 0 HD21 LEU A 12 -7.916 -1.387 -14.330 1.00 31.03 H new ATOM 0 HD22 LEU A 12 -7.741 -0.773 -12.669 1.00 31.03 H new ATOM 0 HD23 LEU A 12 -7.022 0.122 -14.029 1.00 31.03 H new ATOM 183 N ASN A 13 -4.561 0.461 -9.263 1.00 24.42 N ATOM 184 CA ASN A 13 -3.557 1.224 -8.525 1.00 33.43 C ATOM 185 C ASN A 13 -3.161 0.547 -7.223 1.00 4.35 C ATOM 186 O ASN A 13 -2.327 1.051 -6.474 1.00 14.42 O ATOM 187 CB ASN A 13 -4.032 2.651 -8.260 1.00 75.25 C ATOM 188 CG ASN A 13 -4.044 3.497 -9.517 1.00 74.33 C ATOM 189 OD1 ASN A 13 -3.286 3.252 -10.453 1.00 22.10 O ATOM 190 ND2 ASN A 13 -4.892 4.514 -9.546 1.00 34.33 N ATOM 0 H ASN A 13 -5.526 0.636 -8.982 1.00 24.42 H new ATOM 0 HA ASN A 13 -2.670 1.264 -9.157 1.00 33.43 H new ATOM 0 HB2 ASN A 13 -5.035 2.624 -7.833 1.00 75.25 H new ATOM 0 HB3 ASN A 13 -3.382 3.116 -7.518 1.00 75.25 H new ATOM 0 HD21 ASN A 13 -4.930 5.123 -10.363 1.00 34.33 H new ATOM 0 HD22 ASN A 13 -5.507 4.688 -8.751 1.00 34.33 H new ATOM 197 N VAL A 14 -3.743 -0.609 -6.965 1.00 15.31 N ATOM 198 CA VAL A 14 -3.352 -1.420 -5.824 1.00 34.03 C ATOM 199 C VAL A 14 -2.261 -2.399 -6.268 1.00 53.21 C ATOM 200 O VAL A 14 -2.135 -3.510 -5.758 1.00 50.05 O ATOM 201 CB VAL A 14 -4.565 -2.184 -5.243 1.00 1.11 C ATOM 202 CG1 VAL A 14 -4.245 -2.747 -3.864 1.00 13.25 C ATOM 203 CG2 VAL A 14 -5.781 -1.275 -5.177 1.00 64.23 C ATOM 0 H VAL A 14 -4.491 -1.010 -7.531 1.00 15.31 H new ATOM 0 HA VAL A 14 -2.968 -0.772 -5.036 1.00 34.03 H new ATOM 0 HB VAL A 14 -4.789 -3.020 -5.906 1.00 1.11 H new ATOM 0 HG11 VAL A 14 -5.114 -3.279 -3.478 1.00 13.25 H new ATOM 0 HG12 VAL A 14 -3.402 -3.434 -3.938 1.00 13.25 H new ATOM 0 HG13 VAL A 14 -3.990 -1.931 -3.188 1.00 13.25 H new ATOM 0 HG21 VAL A 14 -6.626 -1.827 -4.766 1.00 64.23 H new ATOM 0 HG22 VAL A 14 -5.561 -0.419 -4.538 1.00 64.23 H new ATOM 0 HG23 VAL A 14 -6.029 -0.925 -6.179 1.00 64.23 H new ATOM 213 N ARG A 15 -1.449 -1.939 -7.217 1.00 54.14 N ATOM 214 CA ARG A 15 -0.406 -2.756 -7.830 1.00 22.21 C ATOM 215 C ARG A 15 0.809 -2.866 -6.910 1.00 53.23 C ATOM 216 O ARG A 15 1.828 -3.451 -7.272 1.00 31.54 O ATOM 217 CB ARG A 15 -0.007 -2.140 -9.177 1.00 50.42 C ATOM 218 CG ARG A 15 0.783 -3.069 -10.086 1.00 2.44 C ATOM 219 CD ARG A 15 0.045 -4.378 -10.305 1.00 53.55 C ATOM 220 NE ARG A 15 0.563 -5.133 -11.444 1.00 11.34 N ATOM 221 CZ ARG A 15 0.684 -6.460 -11.464 1.00 63.53 C ATOM 222 NH1 ARG A 15 0.485 -7.167 -10.360 1.00 3.31 N ATOM 223 NH2 ARG A 15 1.037 -7.076 -12.585 1.00 24.54 N ATOM 0 H ARG A 15 -1.496 -0.988 -7.583 1.00 54.14 H new ATOM 0 HA ARG A 15 -0.792 -3.762 -7.993 1.00 22.21 H new ATOM 0 HB2 ARG A 15 -0.910 -1.823 -9.699 1.00 50.42 H new ATOM 0 HB3 ARG A 15 0.585 -1.244 -8.991 1.00 50.42 H new ATOM 0 HG2 ARG A 15 0.958 -2.582 -11.045 1.00 2.44 H new ATOM 0 HG3 ARG A 15 1.760 -3.268 -9.647 1.00 2.44 H new ATOM 0 HD2 ARG A 15 0.121 -4.988 -9.405 1.00 53.55 H new ATOM 0 HD3 ARG A 15 -1.014 -4.172 -10.462 1.00 53.55 H new ATOM 0 HE ARG A 15 0.849 -4.613 -12.274 1.00 11.34 H new ATOM 0 HH11 ARG A 15 0.238 -6.695 -9.490 1.00 3.31 H new ATOM 0 HH12 ARG A 15 0.579 -8.182 -10.381 1.00 3.31 H new ATOM 0 HH21 ARG A 15 1.215 -6.534 -13.430 1.00 24.54 H new ATOM 0 HH22 ARG A 15 1.130 -8.092 -12.601 1.00 24.54 H new ATOM 237 N SER A 16 0.684 -2.286 -5.718 1.00 52.53 N ATOM 238 CA SER A 16 1.725 -2.343 -4.696 1.00 3.02 C ATOM 239 C SER A 16 2.928 -1.477 -5.074 1.00 3.21 C ATOM 240 O SER A 16 4.005 -1.602 -4.483 1.00 20.43 O ATOM 241 CB SER A 16 2.160 -3.792 -4.433 1.00 72.21 C ATOM 242 OG SER A 16 3.036 -3.875 -3.323 1.00 25.12 O ATOM 0 H SER A 16 -0.144 -1.762 -5.434 1.00 52.53 H new ATOM 0 HA SER A 16 1.302 -1.941 -3.775 1.00 3.02 H new ATOM 0 HB2 SER A 16 1.281 -4.410 -4.252 1.00 72.21 H new ATOM 0 HB3 SER A 16 2.654 -4.192 -5.319 1.00 72.21 H new ATOM 0 HG SER A 16 3.602 -3.075 -3.292 1.00 25.12 H new ATOM 248 N GLY A 17 2.733 -0.579 -6.030 1.00 62.00 N ATOM 249 CA GLY A 17 3.794 0.321 -6.415 1.00 52.23 C ATOM 250 C GLY A 17 3.717 0.726 -7.869 1.00 4.13 C ATOM 251 O GLY A 17 2.705 1.263 -8.316 1.00 14.41 O ATOM 0 H GLY A 17 1.860 -0.460 -6.543 1.00 62.00 H new ATOM 0 HA2 GLY A 17 3.752 1.214 -5.791 1.00 52.23 H new ATOM 0 HA3 GLY A 17 4.756 -0.156 -6.225 1.00 52.23 H new ATOM 255 N GLU A 18 4.784 0.453 -8.607 1.00 45.52 N ATOM 256 CA GLU A 18 4.892 0.887 -9.993 1.00 44.53 C ATOM 257 C GLU A 18 5.959 0.055 -10.707 1.00 1.33 C ATOM 258 O GLU A 18 5.649 -0.763 -11.574 1.00 5.44 O ATOM 259 CB GLU A 18 5.227 2.390 -10.025 1.00 2.50 C ATOM 260 CG GLU A 18 5.154 3.043 -11.401 1.00 62.52 C ATOM 261 CD GLU A 18 6.393 2.806 -12.236 1.00 24.42 C ATOM 262 OE1 GLU A 18 7.509 2.995 -11.713 1.00 62.43 O ATOM 263 OE2 GLU A 18 6.254 2.425 -13.416 1.00 60.21 O ATOM 0 H GLU A 18 5.591 -0.070 -8.267 1.00 45.52 H new ATOM 0 HA GLU A 18 3.947 0.736 -10.515 1.00 44.53 H new ATOM 0 HB2 GLU A 18 4.543 2.912 -9.356 1.00 2.50 H new ATOM 0 HB3 GLU A 18 6.232 2.530 -9.627 1.00 2.50 H new ATOM 0 HG2 GLU A 18 4.285 2.658 -11.934 1.00 62.52 H new ATOM 0 HG3 GLU A 18 5.004 4.116 -11.280 1.00 62.52 H new ATOM 270 N GLY A 19 7.213 0.270 -10.330 1.00 22.05 N ATOM 271 CA GLY A 19 8.308 -0.535 -10.844 1.00 45.53 C ATOM 272 C GLY A 19 9.196 -1.029 -9.722 1.00 42.23 C ATOM 273 O GLY A 19 9.762 -2.119 -9.790 1.00 22.10 O ATOM 0 H GLY A 19 7.495 0.995 -9.670 1.00 22.05 H new ATOM 0 HA2 GLY A 19 7.909 -1.385 -11.397 1.00 45.53 H new ATOM 0 HA3 GLY A 19 8.898 0.054 -11.546 1.00 45.53 H new ATOM 277 N THR A 20 9.307 -0.204 -8.683 1.00 4.24 N ATOM 278 CA THR A 20 10.003 -0.568 -7.454 1.00 43.32 C ATOM 279 C THR A 20 9.426 -1.853 -6.854 1.00 74.45 C ATOM 280 O THR A 20 10.142 -2.652 -6.247 1.00 72.45 O ATOM 281 CB THR A 20 9.909 0.586 -6.432 1.00 52.14 C ATOM 282 OG1 THR A 20 10.490 0.214 -5.174 1.00 65.14 O ATOM 283 CG2 THR A 20 8.460 1.001 -6.234 1.00 3.41 C ATOM 0 H THR A 20 8.915 0.738 -8.671 1.00 4.24 H new ATOM 0 HA THR A 20 11.050 -0.748 -7.696 1.00 43.32 H new ATOM 0 HB THR A 20 10.471 1.431 -6.830 1.00 52.14 H new ATOM 0 HG1 THR A 20 10.855 1.010 -4.734 1.00 65.14 H new ATOM 0 HG21 THR A 20 8.410 1.815 -5.511 1.00 3.41 H new ATOM 0 HG22 THR A 20 8.044 1.334 -7.185 1.00 3.41 H new ATOM 0 HG23 THR A 20 7.886 0.152 -5.864 1.00 3.41 H new ATOM 291 N ASN A 21 8.131 -2.052 -7.060 1.00 2.43 N ATOM 292 CA ASN A 21 7.425 -3.220 -6.562 1.00 11.31 C ATOM 293 C ASN A 21 6.021 -3.236 -7.141 1.00 61.24 C ATOM 294 O ASN A 21 5.243 -2.323 -6.900 1.00 15.44 O ATOM 295 CB ASN A 21 7.368 -3.204 -5.031 1.00 53.24 C ATOM 296 CG ASN A 21 6.509 -4.317 -4.456 1.00 73.31 C ATOM 297 OD1 ASN A 21 6.361 -5.385 -5.052 1.00 30.40 O ATOM 298 ND2 ASN A 21 5.941 -4.073 -3.288 1.00 60.31 N ATOM 0 H ASN A 21 7.540 -1.403 -7.580 1.00 2.43 H new ATOM 0 HA ASN A 21 7.957 -4.120 -6.870 1.00 11.31 H new ATOM 0 HB2 ASN A 21 8.380 -3.292 -4.635 1.00 53.24 H new ATOM 0 HB3 ASN A 21 6.978 -2.242 -4.698 1.00 53.24 H new ATOM 0 HD21 ASN A 21 5.355 -4.782 -2.848 1.00 60.31 H new ATOM 0 HD22 ASN A 21 6.089 -3.175 -2.827 1.00 60.31 H new ATOM 305 N TYR A 22 5.733 -4.221 -7.970 1.00 63.51 N ATOM 306 CA TYR A 22 4.402 -4.371 -8.541 1.00 52.12 C ATOM 307 C TYR A 22 3.915 -5.812 -8.410 1.00 23.53 C ATOM 308 O TYR A 22 2.873 -6.179 -8.944 1.00 51.52 O ATOM 309 CB TYR A 22 4.395 -3.923 -10.009 1.00 63.01 C ATOM 310 CG TYR A 22 5.426 -4.619 -10.875 1.00 12.22 C ATOM 311 CD1 TYR A 22 6.711 -4.100 -11.013 1.00 35.03 C ATOM 312 CD2 TYR A 22 5.117 -5.790 -11.556 1.00 4.40 C ATOM 313 CE1 TYR A 22 7.654 -4.731 -11.802 1.00 24.03 C ATOM 314 CE2 TYR A 22 6.055 -6.425 -12.346 1.00 13.03 C ATOM 315 CZ TYR A 22 7.320 -5.892 -12.465 1.00 75.55 C ATOM 316 OH TYR A 22 8.253 -6.521 -13.258 1.00 64.15 O ATOM 0 H TYR A 22 6.402 -4.932 -8.265 1.00 63.51 H new ATOM 0 HA TYR A 22 3.715 -3.733 -7.985 1.00 52.12 H new ATOM 0 HB2 TYR A 22 3.405 -4.102 -10.427 1.00 63.01 H new ATOM 0 HB3 TYR A 22 4.568 -2.848 -10.050 1.00 63.01 H new ATOM 0 HD1 TYR A 22 6.975 -3.190 -10.495 1.00 35.03 H new ATOM 0 HD2 TYR A 22 4.126 -6.211 -11.466 1.00 4.40 H new ATOM 0 HE1 TYR A 22 8.647 -4.317 -11.898 1.00 24.03 H new ATOM 0 HE2 TYR A 22 5.798 -7.335 -12.868 1.00 13.03 H new ATOM 0 HH TYR A 22 7.857 -7.326 -13.653 1.00 64.15 H new ATOM 326 N ARG A 23 4.678 -6.618 -7.683 1.00 1.52 N ATOM 327 CA ARG A 23 4.462 -8.061 -7.656 1.00 73.31 C ATOM 328 C ARG A 23 3.461 -8.496 -6.584 1.00 42.34 C ATOM 329 O ARG A 23 2.834 -9.546 -6.713 1.00 3.22 O ATOM 330 CB ARG A 23 5.800 -8.770 -7.435 1.00 51.50 C ATOM 331 CG ARG A 23 6.472 -8.395 -6.122 1.00 12.45 C ATOM 332 CD ARG A 23 7.883 -8.947 -6.026 1.00 23.34 C ATOM 333 NE ARG A 23 8.528 -8.556 -4.776 1.00 43.23 N ATOM 334 CZ ARG A 23 9.701 -7.939 -4.704 1.00 51.21 C ATOM 335 NH1 ARG A 23 10.374 -7.648 -5.812 1.00 25.15 N ATOM 336 NH2 ARG A 23 10.199 -7.608 -3.521 1.00 10.32 N ATOM 0 H ARG A 23 5.453 -6.297 -7.103 1.00 1.52 H new ATOM 0 HA ARG A 23 4.034 -8.342 -8.618 1.00 73.31 H new ATOM 0 HB2 ARG A 23 5.640 -9.848 -7.458 1.00 51.50 H new ATOM 0 HB3 ARG A 23 6.471 -8.530 -8.260 1.00 51.50 H new ATOM 0 HG2 ARG A 23 6.500 -7.310 -6.027 1.00 12.45 H new ATOM 0 HG3 ARG A 23 5.878 -8.773 -5.290 1.00 12.45 H new ATOM 0 HD2 ARG A 23 7.855 -10.034 -6.097 1.00 23.34 H new ATOM 0 HD3 ARG A 23 8.473 -8.588 -6.869 1.00 23.34 H new ATOM 0 HE ARG A 23 8.047 -8.771 -3.903 1.00 43.23 H new ATOM 0 HH11 ARG A 23 9.990 -7.899 -6.723 1.00 25.15 H new ATOM 0 HH12 ARG A 23 11.275 -7.174 -5.752 1.00 25.15 H new ATOM 0 HH21 ARG A 23 9.681 -7.828 -2.670 1.00 10.32 H new ATOM 0 HH22 ARG A 23 11.100 -7.134 -3.462 1.00 10.32 H new ATOM 350 N ILE A 24 3.300 -7.699 -5.536 1.00 64.23 N ATOM 351 CA ILE A 24 2.512 -8.132 -4.381 1.00 54.24 C ATOM 352 C ILE A 24 1.016 -8.216 -4.709 1.00 32.30 C ATOM 353 O ILE A 24 0.397 -9.267 -4.530 1.00 73.14 O ATOM 354 CB ILE A 24 2.724 -7.207 -3.162 1.00 51.32 C ATOM 355 CG1 ILE A 24 4.220 -7.014 -2.884 1.00 71.24 C ATOM 356 CG2 ILE A 24 2.027 -7.781 -1.933 1.00 61.30 C ATOM 357 CD1 ILE A 24 4.961 -8.298 -2.582 1.00 64.13 C ATOM 0 H ILE A 24 3.696 -6.762 -5.458 1.00 64.23 H new ATOM 0 HA ILE A 24 2.868 -9.130 -4.127 1.00 54.24 H new ATOM 0 HB ILE A 24 2.288 -6.234 -3.389 1.00 51.32 H new ATOM 0 HG12 ILE A 24 4.681 -6.535 -3.748 1.00 71.24 H new ATOM 0 HG13 ILE A 24 4.337 -6.332 -2.042 1.00 71.24 H new ATOM 0 HG21 ILE A 24 2.185 -7.118 -1.082 1.00 61.30 H new ATOM 0 HG22 ILE A 24 0.959 -7.871 -2.129 1.00 61.30 H new ATOM 0 HG23 ILE A 24 2.438 -8.765 -1.708 1.00 61.30 H new ATOM 0 HD11 ILE A 24 6.012 -8.077 -2.397 1.00 64.13 H new ATOM 0 HD12 ILE A 24 4.528 -8.769 -1.699 1.00 64.13 H new ATOM 0 HD13 ILE A 24 4.877 -8.975 -3.432 1.00 64.13 H new ATOM 369 N ILE A 25 0.437 -7.121 -5.190 1.00 54.22 N ATOM 370 CA ILE A 25 -0.985 -7.103 -5.533 1.00 24.24 C ATOM 371 C ILE A 25 -1.173 -6.479 -6.924 1.00 74.44 C ATOM 372 O ILE A 25 -0.197 -6.271 -7.647 1.00 21.21 O ATOM 373 CB ILE A 25 -1.841 -6.339 -4.477 1.00 72.32 C ATOM 374 CG1 ILE A 25 -1.317 -6.554 -3.059 1.00 11.43 C ATOM 375 CG2 ILE A 25 -3.294 -6.775 -4.546 1.00 20.45 C ATOM 376 CD1 ILE A 25 -0.434 -5.432 -2.558 1.00 42.34 C ATOM 0 H ILE A 25 0.924 -6.239 -5.351 1.00 54.22 H new ATOM 0 HA ILE A 25 -1.336 -8.135 -5.540 1.00 24.24 H new ATOM 0 HB ILE A 25 -1.766 -5.278 -4.715 1.00 72.32 H new ATOM 0 HG12 ILE A 25 -2.164 -6.667 -2.382 1.00 11.43 H new ATOM 0 HG13 ILE A 25 -0.756 -7.488 -3.027 1.00 11.43 H new ATOM 0 HG21 ILE A 25 -3.873 -6.230 -3.801 1.00 20.45 H new ATOM 0 HG22 ILE A 25 -3.690 -6.564 -5.539 1.00 20.45 H new ATOM 0 HG23 ILE A 25 -3.363 -7.845 -4.347 1.00 20.45 H new ATOM 0 HD11 ILE A 25 -0.101 -5.656 -1.545 1.00 42.34 H new ATOM 0 HD12 ILE A 25 0.433 -5.332 -3.211 1.00 42.34 H new ATOM 0 HD13 ILE A 25 -0.997 -4.499 -2.557 1.00 42.34 H new ATOM 388 N GLY A 26 -2.414 -6.188 -7.301 1.00 53.04 N ATOM 389 CA GLY A 26 -2.683 -5.669 -8.625 1.00 72.32 C ATOM 390 C GLY A 26 -3.833 -4.683 -8.639 1.00 1.25 C ATOM 391 O GLY A 26 -3.639 -3.500 -8.904 1.00 3.23 O ATOM 0 H GLY A 26 -3.238 -6.303 -6.711 1.00 53.04 H new ATOM 0 HA2 GLY A 26 -1.787 -5.182 -9.010 1.00 72.32 H new ATOM 0 HA3 GLY A 26 -2.910 -6.497 -9.297 1.00 72.32 H new ATOM 395 N ALA A 27 -5.033 -5.164 -8.342 1.00 0.42 N ATOM 396 CA ALA A 27 -6.213 -4.313 -8.344 1.00 13.11 C ATOM 397 C ALA A 27 -7.262 -4.830 -7.364 1.00 13.21 C ATOM 398 O ALA A 27 -8.067 -5.700 -7.707 1.00 52.41 O ATOM 399 CB ALA A 27 -6.802 -4.240 -9.745 1.00 22.24 C ATOM 0 H ALA A 27 -5.214 -6.138 -8.097 1.00 0.42 H new ATOM 0 HA ALA A 27 -5.912 -3.314 -8.028 1.00 13.11 H new ATOM 0 HB1 ALA A 27 -7.685 -3.601 -9.736 1.00 22.24 H new ATOM 0 HB2 ALA A 27 -6.062 -3.826 -10.430 1.00 22.24 H new ATOM 0 HB3 ALA A 27 -7.082 -5.241 -10.075 1.00 22.24 H new ATOM 405 N LEU A 28 -7.247 -4.305 -6.145 1.00 61.42 N ATOM 406 CA LEU A 28 -8.203 -4.699 -5.117 1.00 54.44 C ATOM 407 C LEU A 28 -8.148 -3.695 -3.966 1.00 20.31 C ATOM 408 O LEU A 28 -7.393 -3.872 -3.010 1.00 20.03 O ATOM 409 CB LEU A 28 -7.906 -6.127 -4.620 1.00 51.14 C ATOM 410 CG LEU A 28 -9.087 -6.888 -3.989 1.00 52.01 C ATOM 411 CD1 LEU A 28 -9.476 -6.300 -2.641 1.00 2.13 C ATOM 412 CD2 LEU A 28 -10.282 -6.890 -4.931 1.00 41.15 C ATOM 0 H LEU A 28 -6.576 -3.599 -5.842 1.00 61.42 H new ATOM 0 HA LEU A 28 -9.208 -4.699 -5.538 1.00 54.44 H new ATOM 0 HB2 LEU A 28 -7.532 -6.711 -5.461 1.00 51.14 H new ATOM 0 HB3 LEU A 28 -7.102 -6.074 -3.886 1.00 51.14 H new ATOM 0 HG LEU A 28 -8.766 -7.916 -3.822 1.00 52.01 H new ATOM 0 HD11 LEU A 28 -10.312 -6.863 -2.226 1.00 2.13 H new ATOM 0 HD12 LEU A 28 -8.627 -6.358 -1.960 1.00 2.13 H new ATOM 0 HD13 LEU A 28 -9.768 -5.258 -2.769 1.00 2.13 H new ATOM 0 HD21 LEU A 28 -11.108 -7.432 -4.470 1.00 41.15 H new ATOM 0 HD22 LEU A 28 -10.589 -5.863 -5.132 1.00 41.15 H new ATOM 0 HD23 LEU A 28 -10.007 -7.376 -5.867 1.00 41.15 H new ATOM 424 N PRO A 29 -8.911 -2.599 -4.072 1.00 71.31 N ATOM 425 CA PRO A 29 -8.892 -1.521 -3.095 1.00 31.34 C ATOM 426 C PRO A 29 -9.793 -1.782 -1.889 1.00 55.44 C ATOM 427 O PRO A 29 -10.896 -1.237 -1.798 1.00 32.40 O ATOM 428 CB PRO A 29 -9.398 -0.304 -3.887 1.00 51.14 C ATOM 429 CG PRO A 29 -9.773 -0.808 -5.249 1.00 41.21 C ATOM 430 CD PRO A 29 -9.850 -2.306 -5.153 1.00 31.42 C ATOM 0 HA PRO A 29 -7.896 -1.392 -2.671 1.00 31.34 H new ATOM 0 HB2 PRO A 29 -10.256 0.151 -3.392 1.00 51.14 H new ATOM 0 HB3 PRO A 29 -8.626 0.462 -3.956 1.00 51.14 H new ATOM 0 HG2 PRO A 29 -10.729 -0.391 -5.565 1.00 41.21 H new ATOM 0 HG3 PRO A 29 -9.033 -0.506 -5.990 1.00 41.21 H new ATOM 0 HD2 PRO A 29 -10.858 -2.647 -4.919 1.00 31.42 H new ATOM 0 HD3 PRO A 29 -9.559 -2.789 -6.086 1.00 31.42 H new ATOM 438 N GLN A 30 -9.322 -2.640 -0.984 1.00 0.42 N ATOM 439 CA GLN A 30 -9.997 -2.886 0.289 1.00 60.34 C ATOM 440 C GLN A 30 -11.424 -3.415 0.052 1.00 23.42 C ATOM 441 O GLN A 30 -11.698 -4.042 -0.977 1.00 34.31 O ATOM 442 CB GLN A 30 -10.000 -1.589 1.116 1.00 61.24 C ATOM 443 CG GLN A 30 -10.307 -1.785 2.595 1.00 75.01 C ATOM 444 CD GLN A 30 -10.135 -0.520 3.410 1.00 33.14 C ATOM 445 OE1 GLN A 30 -9.810 -0.683 4.683 1.00 2.43 O flip ATOM 446 NE2 GLN A 30 -10.299 0.592 2.903 1.00 22.21 N flip ATOM 0 H GLN A 30 -8.467 -3.181 -1.112 1.00 0.42 H new ATOM 0 HA GLN A 30 -9.461 -3.653 0.848 1.00 60.34 H new ATOM 0 HB2 GLN A 30 -9.026 -1.110 1.020 1.00 61.24 H new ATOM 0 HB3 GLN A 30 -10.735 -0.905 0.693 1.00 61.24 H new ATOM 0 HG2 GLN A 30 -11.331 -2.143 2.703 1.00 75.01 H new ATOM 0 HG3 GLN A 30 -9.654 -2.560 2.996 1.00 75.01 H new ATOM 0 HE21 GLN A 30 -10.549 0.671 1.917 1.00 22.21 H new ATOM 0 HE22 GLN A 30 -10.185 1.433 3.469 1.00 22.21 H new ATOM 455 N GLY A 31 -12.313 -3.196 1.014 1.00 63.00 N ATOM 456 CA GLY A 31 -13.694 -3.610 0.870 1.00 33.23 C ATOM 457 C GLY A 31 -13.932 -5.009 1.397 1.00 75.21 C ATOM 458 O GLY A 31 -14.357 -5.192 2.537 1.00 1.14 O ATOM 0 H GLY A 31 -12.098 -2.735 1.898 1.00 63.00 H new ATOM 0 HA2 GLY A 31 -14.338 -2.909 1.401 1.00 33.23 H new ATOM 0 HA3 GLY A 31 -13.976 -3.568 -0.182 1.00 33.23 H new ATOM 462 N GLN A 32 -13.638 -5.995 0.563 1.00 54.23 N ATOM 463 CA GLN A 32 -13.857 -7.394 0.908 1.00 64.45 C ATOM 464 C GLN A 32 -12.951 -7.828 2.060 1.00 41.41 C ATOM 465 O GLN A 32 -13.402 -8.443 3.030 1.00 54.52 O ATOM 466 CB GLN A 32 -13.588 -8.271 -0.314 1.00 72.32 C ATOM 467 CG GLN A 32 -13.834 -9.751 -0.078 1.00 10.44 C ATOM 468 CD GLN A 32 -13.426 -10.601 -1.266 1.00 10.12 C ATOM 469 OE1 GLN A 32 -12.402 -10.168 -1.987 1.00 72.31 O flip ATOM 470 NE2 GLN A 32 -14.021 -11.644 -1.530 1.00 54.31 N flip ATOM 0 H GLN A 32 -13.243 -5.851 -0.366 1.00 54.23 H new ATOM 0 HA GLN A 32 -14.893 -7.509 1.227 1.00 64.45 H new ATOM 0 HB2 GLN A 32 -14.220 -7.935 -1.136 1.00 72.32 H new ATOM 0 HB3 GLN A 32 -12.554 -8.131 -0.629 1.00 72.32 H new ATOM 0 HG2 GLN A 32 -13.279 -10.073 0.803 1.00 10.44 H new ATOM 0 HG3 GLN A 32 -14.891 -9.912 0.134 1.00 10.44 H new ATOM 0 HE21 GLN A 32 -14.805 -11.944 -0.951 1.00 54.31 H new ATOM 0 HE22 GLN A 32 -13.730 -12.209 -2.328 1.00 54.31 H new ATOM 479 N LYS A 33 -11.680 -7.486 1.946 1.00 2.25 N ATOM 480 CA LYS A 33 -10.664 -7.915 2.894 1.00 31.43 C ATOM 481 C LYS A 33 -9.536 -6.891 2.871 1.00 62.02 C ATOM 482 O LYS A 33 -9.521 -6.031 1.984 1.00 11.11 O ATOM 483 CB LYS A 33 -10.158 -9.308 2.490 1.00 33.22 C ATOM 484 CG LYS A 33 -9.241 -9.987 3.500 1.00 53.42 C ATOM 485 CD LYS A 33 -9.951 -10.290 4.811 1.00 71.40 C ATOM 486 CE LYS A 33 -9.134 -11.242 5.674 1.00 54.12 C ATOM 487 NZ LYS A 33 -7.738 -10.767 5.865 1.00 73.11 N ATOM 0 H LYS A 33 -11.321 -6.901 1.191 1.00 2.25 H new ATOM 0 HA LYS A 33 -11.067 -7.980 3.905 1.00 31.43 H new ATOM 0 HB2 LYS A 33 -11.019 -9.953 2.316 1.00 33.22 H new ATOM 0 HB3 LYS A 33 -9.627 -9.222 1.542 1.00 33.22 H new ATOM 0 HG2 LYS A 33 -8.858 -10.914 3.074 1.00 53.42 H new ATOM 0 HG3 LYS A 33 -8.381 -9.346 3.695 1.00 53.42 H new ATOM 0 HD2 LYS A 33 -10.127 -9.362 5.355 1.00 71.40 H new ATOM 0 HD3 LYS A 33 -10.927 -10.729 4.606 1.00 71.40 H new ATOM 0 HE2 LYS A 33 -9.615 -11.352 6.646 1.00 54.12 H new ATOM 0 HE3 LYS A 33 -9.120 -12.229 5.211 1.00 54.12 H new ATOM 0 HZ1 LYS A 33 -7.319 -11.243 6.690 1.00 73.11 H new ATOM 0 HZ2 LYS A 33 -7.177 -10.987 5.017 1.00 73.11 H new ATOM 0 HZ3 LYS A 33 -7.740 -9.739 6.022 1.00 73.11 H new ATOM 501 N VAL A 34 -8.615 -6.975 3.833 1.00 11.24 N ATOM 502 CA VAL A 34 -7.450 -6.085 3.883 1.00 73.35 C ATOM 503 C VAL A 34 -7.833 -4.689 4.377 1.00 25.44 C ATOM 504 O VAL A 34 -8.921 -4.185 4.092 1.00 70.34 O ATOM 505 CB VAL A 34 -6.752 -6.005 2.503 1.00 45.54 C ATOM 506 CG1 VAL A 34 -5.644 -4.960 2.490 1.00 12.42 C ATOM 507 CG2 VAL A 34 -6.204 -7.372 2.124 1.00 11.05 C ATOM 0 H VAL A 34 -8.653 -7.654 4.593 1.00 11.24 H new ATOM 0 HA VAL A 34 -6.745 -6.509 4.598 1.00 73.35 H new ATOM 0 HB VAL A 34 -7.494 -5.697 1.766 1.00 45.54 H new ATOM 0 HG11 VAL A 34 -5.179 -4.935 1.504 1.00 12.42 H new ATOM 0 HG12 VAL A 34 -6.065 -3.981 2.718 1.00 12.42 H new ATOM 0 HG13 VAL A 34 -4.894 -5.216 3.238 1.00 12.42 H new ATOM 0 HG21 VAL A 34 -5.714 -7.311 1.152 1.00 11.05 H new ATOM 0 HG22 VAL A 34 -5.483 -7.696 2.875 1.00 11.05 H new ATOM 0 HG23 VAL A 34 -7.022 -8.091 2.073 1.00 11.05 H new ATOM 517 N GLN A 35 -6.937 -4.076 5.140 1.00 60.22 N ATOM 518 CA GLN A 35 -7.185 -2.763 5.713 1.00 11.00 C ATOM 519 C GLN A 35 -5.951 -1.876 5.569 1.00 24.53 C ATOM 520 O GLN A 35 -4.820 -2.364 5.581 1.00 12.14 O ATOM 521 CB GLN A 35 -7.572 -2.906 7.186 1.00 31.41 C ATOM 522 CG GLN A 35 -7.905 -1.592 7.869 1.00 75.13 C ATOM 523 CD GLN A 35 -8.314 -1.783 9.312 1.00 5.00 C ATOM 524 OE1 GLN A 35 -7.475 -1.772 10.213 1.00 51.31 O ATOM 525 NE2 GLN A 35 -9.602 -1.961 9.545 1.00 73.31 N ATOM 0 H GLN A 35 -6.027 -4.472 5.376 1.00 60.22 H new ATOM 0 HA GLN A 35 -8.008 -2.292 5.175 1.00 11.00 H new ATOM 0 HB2 GLN A 35 -8.432 -3.571 7.262 1.00 31.41 H new ATOM 0 HB3 GLN A 35 -6.752 -3.384 7.721 1.00 31.41 H new ATOM 0 HG2 GLN A 35 -7.039 -0.932 7.823 1.00 75.13 H new ATOM 0 HG3 GLN A 35 -8.712 -1.098 7.327 1.00 75.13 H new ATOM 0 HE21 GLN A 35 -10.265 -1.963 8.770 1.00 73.31 H new ATOM 0 HE22 GLN A 35 -9.934 -2.096 10.500 1.00 73.31 H new ATOM 534 N VAL A 36 -6.180 -0.577 5.417 1.00 21.01 N ATOM 535 CA VAL A 36 -5.096 0.389 5.305 1.00 33.13 C ATOM 536 C VAL A 36 -4.741 0.941 6.685 1.00 11.44 C ATOM 537 O VAL A 36 -5.614 1.106 7.540 1.00 22.04 O ATOM 538 CB VAL A 36 -5.473 1.552 4.346 1.00 22.21 C ATOM 539 CG1 VAL A 36 -6.737 2.261 4.813 1.00 73.45 C ATOM 540 CG2 VAL A 36 -4.324 2.545 4.200 1.00 64.15 C ATOM 0 H VAL A 36 -7.113 -0.167 5.368 1.00 21.01 H new ATOM 0 HA VAL A 36 -4.229 -0.124 4.888 1.00 33.13 H new ATOM 0 HB VAL A 36 -5.669 1.117 3.366 1.00 22.21 H new ATOM 0 HG11 VAL A 36 -6.977 3.070 4.123 1.00 73.45 H new ATOM 0 HG12 VAL A 36 -7.563 1.551 4.841 1.00 73.45 H new ATOM 0 HG13 VAL A 36 -6.577 2.670 5.810 1.00 73.45 H new ATOM 0 HG21 VAL A 36 -4.620 3.346 3.523 1.00 64.15 H new ATOM 0 HG22 VAL A 36 -4.080 2.966 5.176 1.00 64.15 H new ATOM 0 HG23 VAL A 36 -3.450 2.033 3.797 1.00 64.15 H new ATOM 550 N ILE A 37 -3.459 1.189 6.913 1.00 62.55 N ATOM 551 CA ILE A 37 -3.003 1.723 8.187 1.00 14.03 C ATOM 552 C ILE A 37 -2.915 3.244 8.124 1.00 72.53 C ATOM 553 O ILE A 37 -3.563 3.945 8.900 1.00 34.31 O ATOM 554 CB ILE A 37 -1.624 1.141 8.571 1.00 12.12 C ATOM 555 CG1 ILE A 37 -1.681 -0.388 8.583 1.00 42.04 C ATOM 556 CG2 ILE A 37 -1.177 1.669 9.925 1.00 71.53 C ATOM 557 CD1 ILE A 37 -0.483 -1.043 7.930 1.00 34.20 C ATOM 0 H ILE A 37 -2.717 1.029 6.232 1.00 62.55 H new ATOM 0 HA ILE A 37 -3.728 1.434 8.948 1.00 14.03 H new ATOM 0 HB ILE A 37 -0.895 1.457 7.825 1.00 12.12 H new ATOM 0 HG12 ILE A 37 -1.756 -0.733 9.614 1.00 42.04 H new ATOM 0 HG13 ILE A 37 -2.587 -0.714 8.071 1.00 42.04 H new ATOM 0 HG21 ILE A 37 -0.204 1.247 10.177 1.00 71.53 H new ATOM 0 HG22 ILE A 37 -1.102 2.756 9.885 1.00 71.53 H new ATOM 0 HG23 ILE A 37 -1.904 1.383 10.685 1.00 71.53 H new ATOM 0 HD11 ILE A 37 -0.591 -2.127 7.975 1.00 34.20 H new ATOM 0 HD12 ILE A 37 -0.419 -0.728 6.889 1.00 34.20 H new ATOM 0 HD13 ILE A 37 0.425 -0.747 8.455 1.00 34.20 H new ATOM 569 N SER A 38 -2.139 3.744 7.168 1.00 5.11 N ATOM 570 CA SER A 38 -1.990 5.179 6.963 1.00 72.34 C ATOM 571 C SER A 38 -1.176 5.442 5.714 1.00 31.52 C ATOM 572 O SER A 38 -0.330 4.633 5.329 1.00 72.24 O ATOM 573 CB SER A 38 -1.327 5.851 8.170 1.00 63.14 C ATOM 574 OG SER A 38 -0.092 5.231 8.492 1.00 64.34 O ATOM 0 H SER A 38 -1.600 3.171 6.519 1.00 5.11 H new ATOM 0 HA SER A 38 -2.986 5.606 6.844 1.00 72.34 H new ATOM 0 HB2 SER A 38 -1.161 6.907 7.955 1.00 63.14 H new ATOM 0 HB3 SER A 38 -1.996 5.802 9.029 1.00 63.14 H new ATOM 0 HG SER A 38 0.309 5.682 9.264 1.00 64.34 H new ATOM 580 N GLU A 39 -1.440 6.568 5.091 1.00 51.42 N ATOM 581 CA GLU A 39 -0.791 6.916 3.848 1.00 51.12 C ATOM 582 C GLU A 39 0.175 8.078 4.026 1.00 43.24 C ATOM 583 O GLU A 39 -0.112 9.045 4.733 1.00 4.43 O ATOM 584 CB GLU A 39 -1.831 7.249 2.773 1.00 63.21 C ATOM 585 CG GLU A 39 -2.813 8.350 3.152 1.00 31.13 C ATOM 586 CD GLU A 39 -3.879 7.894 4.131 1.00 33.20 C ATOM 587 OE1 GLU A 39 -4.929 7.395 3.679 1.00 71.11 O ATOM 588 OE2 GLU A 39 -3.671 8.035 5.355 1.00 0.21 O ATOM 0 H GLU A 39 -2.105 7.263 5.428 1.00 51.42 H new ATOM 0 HA GLU A 39 -0.214 6.050 3.525 1.00 51.12 H new ATOM 0 HB2 GLU A 39 -1.310 7.544 1.863 1.00 63.21 H new ATOM 0 HB3 GLU A 39 -2.393 6.345 2.539 1.00 63.21 H new ATOM 0 HG2 GLU A 39 -2.263 9.184 3.588 1.00 31.13 H new ATOM 0 HG3 GLU A 39 -3.295 8.724 2.249 1.00 31.13 H new ATOM 595 N ASN A 40 1.330 7.956 3.396 1.00 64.11 N ATOM 596 CA ASN A 40 2.308 9.029 3.349 1.00 40.14 C ATOM 597 C ASN A 40 2.109 9.792 2.051 1.00 52.41 C ATOM 598 O ASN A 40 1.301 9.388 1.218 1.00 22.24 O ATOM 599 CB ASN A 40 3.738 8.486 3.397 1.00 3.04 C ATOM 600 CG ASN A 40 3.956 7.430 4.468 1.00 21.32 C ATOM 601 OD1 ASN A 40 3.349 7.466 5.540 1.00 34.23 O ATOM 602 ND2 ASN A 40 4.814 6.467 4.168 1.00 31.42 N ATOM 0 H ASN A 40 1.617 7.111 2.903 1.00 64.11 H new ATOM 0 HA ASN A 40 2.166 9.676 4.215 1.00 40.14 H new ATOM 0 HB2 ASN A 40 3.989 8.062 2.425 1.00 3.04 H new ATOM 0 HB3 ASN A 40 4.426 9.314 3.570 1.00 3.04 H new ATOM 0 HD21 ASN A 40 4.993 5.717 4.836 1.00 31.42 H new ATOM 0 HD22 ASN A 40 5.296 6.475 3.269 1.00 31.42 H new ATOM 609 N SER A 41 2.829 10.887 1.872 1.00 32.41 N ATOM 610 CA SER A 41 2.748 11.648 0.633 1.00 50.55 C ATOM 611 C SER A 41 3.402 10.875 -0.516 1.00 1.31 C ATOM 612 O SER A 41 3.273 11.245 -1.685 1.00 0.53 O ATOM 613 CB SER A 41 3.418 13.011 0.810 1.00 33.34 C ATOM 614 OG SER A 41 3.195 13.847 -0.312 1.00 64.15 O ATOM 0 H SER A 41 3.474 11.269 2.564 1.00 32.41 H new ATOM 0 HA SER A 41 1.698 11.803 0.386 1.00 50.55 H new ATOM 0 HB2 SER A 41 3.032 13.494 1.708 1.00 33.34 H new ATOM 0 HB3 SER A 41 4.489 12.875 0.957 1.00 33.34 H new ATOM 0 HG SER A 41 3.067 13.295 -1.111 1.00 64.15 H new ATOM 620 N GLY A 42 4.112 9.807 -0.172 1.00 51.40 N ATOM 621 CA GLY A 42 4.718 8.961 -1.176 1.00 13.51 C ATOM 622 C GLY A 42 3.959 7.660 -1.340 1.00 63.13 C ATOM 623 O GLY A 42 3.234 7.473 -2.322 1.00 31.52 O ATOM 0 H GLY A 42 4.278 9.513 0.790 1.00 51.40 H new ATOM 0 HA2 GLY A 42 4.746 9.489 -2.129 1.00 13.51 H new ATOM 0 HA3 GLY A 42 5.750 8.748 -0.899 1.00 13.51 H new ATOM 627 N TRP A 43 4.122 6.764 -0.373 1.00 74.41 N ATOM 628 CA TRP A 43 3.437 5.479 -0.387 1.00 4.31 C ATOM 629 C TRP A 43 2.505 5.350 0.815 1.00 0.20 C ATOM 630 O TRP A 43 2.660 6.054 1.810 1.00 41.30 O ATOM 631 CB TRP A 43 4.443 4.321 -0.385 1.00 24.23 C ATOM 632 CG TRP A 43 5.272 4.214 -1.635 1.00 5.20 C ATOM 633 CD1 TRP A 43 5.117 4.913 -2.799 1.00 51.43 C ATOM 634 CD2 TRP A 43 6.383 3.334 -1.845 1.00 43.03 C ATOM 635 NE1 TRP A 43 6.071 4.531 -3.711 1.00 60.04 N ATOM 636 CE2 TRP A 43 6.855 3.559 -3.150 1.00 35.24 C ATOM 637 CE3 TRP A 43 7.020 2.373 -1.055 1.00 34.54 C ATOM 638 CZ2 TRP A 43 7.944 2.871 -3.675 1.00 0.21 C ATOM 639 CZ3 TRP A 43 8.101 1.686 -1.580 1.00 34.42 C ATOM 640 CH2 TRP A 43 8.549 1.935 -2.884 1.00 33.42 C ATOM 0 H TRP A 43 4.727 6.907 0.435 1.00 74.41 H new ATOM 0 HA TRP A 43 2.846 5.430 -1.302 1.00 4.31 H new ATOM 0 HB2 TRP A 43 5.110 4.437 0.469 1.00 24.23 H new ATOM 0 HB3 TRP A 43 3.901 3.386 -0.242 1.00 24.23 H new ATOM 0 HD1 TRP A 43 4.355 5.658 -2.976 1.00 51.43 H new ATOM 0 HE1 TRP A 43 6.178 4.910 -4.652 1.00 60.04 H new ATOM 0 HE3 TRP A 43 6.675 2.170 -0.052 1.00 34.54 H new ATOM 0 HZ2 TRP A 43 8.300 3.070 -4.675 1.00 0.21 H new ATOM 0 HZ3 TRP A 43 8.606 0.947 -0.976 1.00 34.42 H new ATOM 0 HH2 TRP A 43 9.388 1.377 -3.271 1.00 33.42 H new ATOM 651 N SER A 44 1.538 4.457 0.712 1.00 31.43 N ATOM 652 CA SER A 44 0.620 4.188 1.812 1.00 60.05 C ATOM 653 C SER A 44 0.893 2.804 2.395 1.00 22.44 C ATOM 654 O SER A 44 1.219 1.868 1.662 1.00 25.02 O ATOM 655 CB SER A 44 -0.829 4.283 1.331 1.00 5.33 C ATOM 656 OG SER A 44 -1.745 4.070 2.391 1.00 52.40 O ATOM 0 H SER A 44 1.365 3.901 -0.125 1.00 31.43 H new ATOM 0 HA SER A 44 0.777 4.935 2.590 1.00 60.05 H new ATOM 0 HB2 SER A 44 -1.003 5.265 0.890 1.00 5.33 H new ATOM 0 HB3 SER A 44 -1.002 3.546 0.546 1.00 5.33 H new ATOM 0 HG SER A 44 -2.661 4.139 2.050 1.00 52.40 H new ATOM 662 N LYS A 45 0.769 2.684 3.711 1.00 53.31 N ATOM 663 CA LYS A 45 1.001 1.432 4.399 1.00 65.51 C ATOM 664 C LYS A 45 -0.270 0.599 4.496 1.00 42.45 C ATOM 665 O LYS A 45 -1.242 0.999 5.142 1.00 31.02 O ATOM 666 CB LYS A 45 1.546 1.704 5.797 1.00 15.14 C ATOM 667 CG LYS A 45 3.057 1.802 5.846 1.00 12.45 C ATOM 668 CD LYS A 45 3.662 0.682 6.679 1.00 24.21 C ATOM 669 CE LYS A 45 3.211 -0.695 6.209 1.00 44.21 C ATOM 670 NZ LYS A 45 3.748 -1.773 7.079 1.00 35.32 N ATOM 0 H LYS A 45 0.505 3.454 4.326 1.00 53.31 H new ATOM 0 HA LYS A 45 1.730 0.864 3.821 1.00 65.51 H new ATOM 0 HB2 LYS A 45 1.117 2.633 6.172 1.00 15.14 H new ATOM 0 HB3 LYS A 45 1.219 0.909 6.467 1.00 15.14 H new ATOM 0 HG2 LYS A 45 3.458 1.761 4.833 1.00 12.45 H new ATOM 0 HG3 LYS A 45 3.347 2.766 6.265 1.00 12.45 H new ATOM 0 HD2 LYS A 45 4.749 0.742 6.630 1.00 24.21 H new ATOM 0 HD3 LYS A 45 3.382 0.817 7.724 1.00 24.21 H new ATOM 0 HE2 LYS A 45 2.122 -0.740 6.204 1.00 44.21 H new ATOM 0 HE3 LYS A 45 3.542 -0.856 5.183 1.00 44.21 H new ATOM 0 HZ1 LYS A 45 3.166 -2.628 6.971 1.00 35.32 H new ATOM 0 HZ2 LYS A 45 4.729 -1.984 6.805 1.00 35.32 H new ATOM 0 HZ3 LYS A 45 3.725 -1.462 8.071 1.00 35.32 H new ATOM 684 N ILE A 46 -0.246 -0.561 3.856 1.00 63.21 N ATOM 685 CA ILE A 46 -1.352 -1.504 3.925 1.00 31.45 C ATOM 686 C ILE A 46 -0.830 -2.902 4.235 1.00 63.52 C ATOM 687 O ILE A 46 0.340 -3.204 3.992 1.00 42.43 O ATOM 688 CB ILE A 46 -2.164 -1.557 2.607 1.00 0.55 C ATOM 689 CG1 ILE A 46 -1.272 -1.964 1.429 1.00 71.11 C ATOM 690 CG2 ILE A 46 -2.832 -0.216 2.337 1.00 30.34 C ATOM 691 CD1 ILE A 46 -2.025 -2.148 0.127 1.00 40.10 C ATOM 0 H ILE A 46 0.535 -0.873 3.278 1.00 63.21 H new ATOM 0 HA ILE A 46 -2.013 -1.157 4.719 1.00 31.45 H new ATOM 0 HB ILE A 46 -2.941 -2.313 2.718 1.00 0.55 H new ATOM 0 HG12 ILE A 46 -0.502 -1.205 1.289 1.00 71.11 H new ATOM 0 HG13 ILE A 46 -0.761 -2.894 1.677 1.00 71.11 H new ATOM 0 HG21 ILE A 46 -3.398 -0.272 1.407 1.00 30.34 H new ATOM 0 HG22 ILE A 46 -3.506 0.026 3.158 1.00 30.34 H new ATOM 0 HG23 ILE A 46 -2.071 0.559 2.252 1.00 30.34 H new ATOM 0 HD11 ILE A 46 -1.327 -2.435 -0.659 1.00 40.10 H new ATOM 0 HD12 ILE A 46 -2.776 -2.928 0.248 1.00 40.10 H new ATOM 0 HD13 ILE A 46 -2.514 -1.213 -0.146 1.00 40.10 H new ATOM 703 N ASN A 47 -1.686 -3.746 4.787 1.00 61.32 N ATOM 704 CA ASN A 47 -1.342 -5.141 4.997 1.00 53.14 C ATOM 705 C ASN A 47 -2.240 -6.023 4.140 1.00 53.01 C ATOM 706 O ASN A 47 -3.450 -6.087 4.347 1.00 75.03 O ATOM 707 CB ASN A 47 -1.449 -5.524 6.482 1.00 70.44 C ATOM 708 CG ASN A 47 -2.787 -5.172 7.117 1.00 42.42 C ATOM 709 OD1 ASN A 47 -3.730 -5.961 7.094 1.00 73.31 O ATOM 710 ND2 ASN A 47 -2.872 -3.991 7.711 1.00 75.30 N ATOM 0 H ASN A 47 -2.623 -3.489 5.097 1.00 61.32 H new ATOM 0 HA ASN A 47 -0.305 -5.294 4.698 1.00 53.14 H new ATOM 0 HB2 ASN A 47 -1.281 -6.596 6.583 1.00 70.44 H new ATOM 0 HB3 ASN A 47 -0.653 -5.023 7.034 1.00 70.44 H new ATOM 0 HD21 ASN A 47 -3.740 -3.712 8.169 1.00 75.30 H new ATOM 0 HD22 ASN A 47 -2.070 -3.361 7.711 1.00 75.30 H new ATOM 717 N TYR A 48 -1.649 -6.698 3.169 1.00 61.52 N ATOM 718 CA TYR A 48 -2.422 -7.517 2.255 1.00 64.42 C ATOM 719 C TYR A 48 -2.357 -8.976 2.689 1.00 14.24 C ATOM 720 O TYR A 48 -1.496 -9.732 2.236 1.00 4.04 O ATOM 721 CB TYR A 48 -1.925 -7.345 0.814 1.00 74.24 C ATOM 722 CG TYR A 48 -2.945 -7.755 -0.227 1.00 44.41 C ATOM 723 CD1 TYR A 48 -4.108 -7.020 -0.406 1.00 34.40 C ATOM 724 CD2 TYR A 48 -2.750 -8.874 -1.022 1.00 70.23 C ATOM 725 CE1 TYR A 48 -5.053 -7.393 -1.338 1.00 63.12 C ATOM 726 CE2 TYR A 48 -3.689 -9.253 -1.962 1.00 64.02 C ATOM 727 CZ TYR A 48 -4.840 -8.511 -2.115 1.00 62.55 C ATOM 728 OH TYR A 48 -5.781 -8.886 -3.044 1.00 51.14 O ATOM 0 H TYR A 48 -0.644 -6.695 2.995 1.00 61.52 H new ATOM 0 HA TYR A 48 -3.462 -7.192 2.283 1.00 64.42 H new ATOM 0 HB2 TYR A 48 -1.652 -6.302 0.654 1.00 74.24 H new ATOM 0 HB3 TYR A 48 -1.019 -7.936 0.677 1.00 74.24 H new ATOM 0 HD1 TYR A 48 -4.276 -6.139 0.196 1.00 34.40 H new ATOM 0 HD2 TYR A 48 -1.850 -9.459 -0.905 1.00 70.23 H new ATOM 0 HE1 TYR A 48 -5.955 -6.812 -1.459 1.00 63.12 H new ATOM 0 HE2 TYR A 48 -3.522 -10.127 -2.574 1.00 64.02 H new ATOM 0 HH TYR A 48 -5.478 -9.694 -3.509 1.00 51.14 H new ATOM 738 N ASN A 49 -3.246 -9.330 3.620 1.00 41.43 N ATOM 739 CA ASN A 49 -3.367 -10.691 4.147 1.00 12.23 C ATOM 740 C ASN A 49 -2.034 -11.212 4.671 1.00 62.44 C ATOM 741 O ASN A 49 -1.558 -12.272 4.262 1.00 75.23 O ATOM 742 CB ASN A 49 -3.945 -11.641 3.092 1.00 21.52 C ATOM 743 CG ASN A 49 -5.396 -11.333 2.773 1.00 13.11 C ATOM 744 OD1 ASN A 49 -6.122 -10.774 3.600 1.00 52.03 O ATOM 745 ND2 ASN A 49 -5.832 -11.706 1.580 1.00 43.02 N ATOM 0 H ASN A 49 -3.908 -8.673 4.033 1.00 41.43 H new ATOM 0 HA ASN A 49 -4.060 -10.652 4.988 1.00 12.23 H new ATOM 0 HB2 ASN A 49 -3.352 -11.572 2.180 1.00 21.52 H new ATOM 0 HB3 ASN A 49 -3.864 -12.668 3.448 1.00 21.52 H new ATOM 0 HD21 ASN A 49 -6.802 -11.534 1.315 1.00 43.02 H new ATOM 0 HD22 ASN A 49 -5.198 -12.165 0.926 1.00 43.02 H new ATOM 752 N GLY A 50 -1.436 -10.459 5.585 1.00 23.41 N ATOM 753 CA GLY A 50 -0.193 -10.882 6.199 1.00 5.52 C ATOM 754 C GLY A 50 1.035 -10.325 5.504 1.00 22.31 C ATOM 755 O GLY A 50 2.129 -10.322 6.071 1.00 55.33 O ATOM 0 H GLY A 50 -1.791 -9.561 5.913 1.00 23.41 H new ATOM 0 HA2 GLY A 50 -0.186 -10.569 7.243 1.00 5.52 H new ATOM 0 HA3 GLY A 50 -0.144 -11.971 6.193 1.00 5.52 H new ATOM 759 N GLN A 51 0.861 -9.850 4.280 1.00 60.31 N ATOM 760 CA GLN A 51 1.963 -9.253 3.539 1.00 11.30 C ATOM 761 C GLN A 51 2.032 -7.764 3.804 1.00 31.33 C ATOM 762 O GLN A 51 1.020 -7.125 4.099 1.00 24.13 O ATOM 763 CB GLN A 51 1.825 -9.489 2.031 1.00 43.44 C ATOM 764 CG GLN A 51 2.395 -10.816 1.548 1.00 32.45 C ATOM 765 CD GLN A 51 1.623 -12.032 2.027 1.00 43.23 C ATOM 766 OE1 GLN A 51 2.204 -13.094 2.252 1.00 40.51 O ATOM 767 NE2 GLN A 51 0.314 -11.904 2.152 1.00 54.32 N ATOM 0 H GLN A 51 -0.028 -9.866 3.780 1.00 60.31 H new ATOM 0 HA GLN A 51 2.880 -9.733 3.882 1.00 11.30 H new ATOM 0 HB2 GLN A 51 0.769 -9.442 1.763 1.00 43.44 H new ATOM 0 HB3 GLN A 51 2.325 -8.678 1.501 1.00 43.44 H new ATOM 0 HG2 GLN A 51 2.413 -10.816 0.458 1.00 32.45 H new ATOM 0 HG3 GLN A 51 3.429 -10.899 1.884 1.00 32.45 H new ATOM 0 HE21 GLN A 51 -0.132 -11.008 1.957 1.00 54.32 H new ATOM 0 HE22 GLN A 51 -0.251 -12.702 2.444 1.00 54.32 H new ATOM 776 N THR A 52 3.226 -7.222 3.692 1.00 53.30 N ATOM 777 CA THR A 52 3.438 -5.802 3.866 1.00 22.45 C ATOM 778 C THR A 52 3.375 -5.113 2.513 1.00 1.32 C ATOM 779 O THR A 52 4.211 -5.354 1.642 1.00 53.43 O ATOM 780 CB THR A 52 4.793 -5.519 4.536 1.00 73.23 C ATOM 781 OG1 THR A 52 4.856 -6.186 5.805 1.00 75.34 O ATOM 782 CG2 THR A 52 5.002 -4.028 4.736 1.00 13.43 C ATOM 0 H THR A 52 4.072 -7.750 3.479 1.00 53.30 H new ATOM 0 HA THR A 52 2.654 -5.413 4.516 1.00 22.45 H new ATOM 0 HB THR A 52 5.581 -5.894 3.883 1.00 73.23 H new ATOM 0 HG1 THR A 52 5.721 -6.004 6.227 1.00 75.34 H new ATOM 0 HG21 THR A 52 5.968 -3.857 5.212 1.00 13.43 H new ATOM 0 HG22 THR A 52 4.979 -3.524 3.770 1.00 13.43 H new ATOM 0 HG23 THR A 52 4.210 -3.631 5.371 1.00 13.43 H new ATOM 790 N GLY A 53 2.373 -4.274 2.333 1.00 1.14 N ATOM 791 CA GLY A 53 2.177 -3.641 1.055 1.00 24.42 C ATOM 792 C GLY A 53 2.283 -2.136 1.120 1.00 75.51 C ATOM 793 O GLY A 53 1.960 -1.515 2.136 1.00 71.40 O ATOM 0 H GLY A 53 1.693 -4.021 3.050 1.00 1.14 H new ATOM 0 HA2 GLY A 53 2.916 -4.022 0.350 1.00 24.42 H new ATOM 0 HA3 GLY A 53 1.196 -3.914 0.667 1.00 24.42 H new ATOM 797 N TYR A 54 2.756 -1.559 0.034 1.00 21.11 N ATOM 798 CA TYR A 54 2.778 -0.120 -0.135 1.00 71.25 C ATOM 799 C TYR A 54 2.141 0.210 -1.467 1.00 51.14 C ATOM 800 O TYR A 54 2.273 -0.554 -2.412 1.00 43.21 O ATOM 801 CB TYR A 54 4.207 0.426 -0.119 1.00 54.21 C ATOM 802 CG TYR A 54 4.915 0.320 1.211 1.00 51.33 C ATOM 803 CD1 TYR A 54 4.749 1.299 2.180 1.00 54.20 C ATOM 804 CD2 TYR A 54 5.769 -0.741 1.488 1.00 32.22 C ATOM 805 CE1 TYR A 54 5.411 1.224 3.389 1.00 41.11 C ATOM 806 CE2 TYR A 54 6.430 -0.826 2.698 1.00 41.43 C ATOM 807 CZ TYR A 54 6.248 0.160 3.643 1.00 24.44 C ATOM 808 OH TYR A 54 6.918 0.091 4.844 1.00 25.33 O ATOM 0 H TYR A 54 3.137 -2.076 -0.758 1.00 21.11 H new ATOM 0 HA TYR A 54 2.233 0.338 0.690 1.00 71.25 H new ATOM 0 HB2 TYR A 54 4.792 -0.107 -0.869 1.00 54.21 H new ATOM 0 HB3 TYR A 54 4.183 1.474 -0.419 1.00 54.21 H new ATOM 0 HD1 TYR A 54 4.091 2.133 1.985 1.00 54.20 H new ATOM 0 HD2 TYR A 54 5.918 -1.511 0.746 1.00 32.22 H new ATOM 0 HE1 TYR A 54 5.273 1.996 4.132 1.00 41.11 H new ATOM 0 HE2 TYR A 54 7.085 -1.660 2.902 1.00 41.43 H new ATOM 0 HH TYR A 54 7.466 -0.721 4.867 1.00 25.33 H new ATOM 818 N ILE A 55 1.436 1.317 -1.539 1.00 4.21 N ATOM 819 CA ILE A 55 0.876 1.769 -2.804 1.00 53.42 C ATOM 820 C ILE A 55 1.159 3.249 -2.999 1.00 55.31 C ATOM 821 O ILE A 55 1.432 3.960 -2.034 1.00 65.30 O ATOM 822 CB ILE A 55 -0.647 1.479 -2.921 1.00 52.50 C ATOM 823 CG1 ILE A 55 -1.410 1.946 -1.679 1.00 2.12 C ATOM 824 CG2 ILE A 55 -0.893 -0.002 -3.170 1.00 1.03 C ATOM 825 CD1 ILE A 55 -1.736 3.423 -1.675 1.00 64.15 C ATOM 0 H ILE A 55 1.234 1.922 -0.743 1.00 4.21 H new ATOM 0 HA ILE A 55 1.363 1.201 -3.597 1.00 53.42 H new ATOM 0 HB ILE A 55 -1.023 2.046 -3.772 1.00 52.50 H new ATOM 0 HG12 ILE A 55 -2.338 1.380 -1.601 1.00 2.12 H new ATOM 0 HG13 ILE A 55 -0.819 1.713 -0.793 1.00 2.12 H new ATOM 0 HG21 ILE A 55 -1.965 -0.185 -3.249 1.00 1.03 H new ATOM 0 HG22 ILE A 55 -0.405 -0.301 -4.098 1.00 1.03 H new ATOM 0 HG23 ILE A 55 -0.486 -0.583 -2.342 1.00 1.03 H new ATOM 0 HD11 ILE A 55 -2.276 3.674 -0.762 1.00 64.15 H new ATOM 0 HD12 ILE A 55 -0.812 4.000 -1.720 1.00 64.15 H new ATOM 0 HD13 ILE A 55 -2.355 3.661 -2.540 1.00 64.15 H new ATOM 837 N GLY A 56 1.112 3.705 -4.241 1.00 25.42 N ATOM 838 CA GLY A 56 1.418 5.089 -4.527 1.00 4.00 C ATOM 839 C GLY A 56 0.275 6.014 -4.176 1.00 12.00 C ATOM 840 O GLY A 56 -0.854 5.805 -4.611 1.00 52.41 O ATOM 0 H GLY A 56 0.867 3.141 -5.055 1.00 25.42 H new ATOM 0 HA2 GLY A 56 2.306 5.385 -3.969 1.00 4.00 H new ATOM 0 HA3 GLY A 56 1.656 5.195 -5.585 1.00 4.00 H new ATOM 844 N THR A 57 0.566 7.038 -3.390 1.00 43.52 N ATOM 845 CA THR A 57 -0.440 8.019 -3.014 1.00 21.34 C ATOM 846 C THR A 57 -0.734 8.965 -4.188 1.00 54.32 C ATOM 847 O THR A 57 -1.648 9.795 -4.138 1.00 74.51 O ATOM 848 CB THR A 57 0.031 8.818 -1.786 1.00 34.24 C ATOM 849 OG1 THR A 57 0.586 7.915 -0.822 1.00 72.03 O ATOM 850 CG2 THR A 57 -1.120 9.580 -1.148 1.00 3.42 C ATOM 0 H THR A 57 1.492 7.212 -2.999 1.00 43.52 H new ATOM 0 HA THR A 57 -1.360 7.493 -2.758 1.00 21.34 H new ATOM 0 HB THR A 57 0.781 9.538 -2.113 1.00 34.24 H new ATOM 0 HG1 THR A 57 1.017 8.426 -0.105 1.00 72.03 H new ATOM 0 HG21 THR A 57 -0.755 10.134 -0.283 1.00 3.42 H new ATOM 0 HG22 THR A 57 -1.542 10.276 -1.873 1.00 3.42 H new ATOM 0 HG23 THR A 57 -1.890 8.877 -0.830 1.00 3.42 H new ATOM 858 N ARG A 58 0.052 8.822 -5.252 1.00 5.42 N ATOM 859 CA ARG A 58 -0.155 9.585 -6.473 1.00 21.30 C ATOM 860 C ARG A 58 -1.364 9.058 -7.234 1.00 62.35 C ATOM 861 O ARG A 58 -2.240 9.825 -7.636 1.00 13.45 O ATOM 862 CB ARG A 58 1.089 9.517 -7.361 1.00 42.33 C ATOM 863 CG ARG A 58 1.866 10.820 -7.410 1.00 44.01 C ATOM 864 CD ARG A 58 1.040 11.922 -8.047 1.00 60.14 C ATOM 865 NE ARG A 58 1.750 13.196 -8.077 1.00 3.03 N ATOM 866 CZ ARG A 58 1.579 14.120 -9.022 1.00 21.13 C ATOM 867 NH1 ARG A 58 0.715 13.912 -10.008 1.00 43.41 N ATOM 868 NH2 ARG A 58 2.268 15.250 -8.973 1.00 25.44 N ATOM 0 H ARG A 58 0.843 8.179 -5.290 1.00 5.42 H new ATOM 0 HA ARG A 58 -0.338 10.624 -6.200 1.00 21.30 H new ATOM 0 HB2 ARG A 58 1.744 8.725 -6.996 1.00 42.33 H new ATOM 0 HB3 ARG A 58 0.790 9.243 -8.373 1.00 42.33 H new ATOM 0 HG2 ARG A 58 2.154 11.114 -6.401 1.00 44.01 H new ATOM 0 HG3 ARG A 58 2.787 10.677 -7.976 1.00 44.01 H new ATOM 0 HD2 ARG A 58 0.774 11.633 -9.064 1.00 60.14 H new ATOM 0 HD3 ARG A 58 0.108 12.040 -7.495 1.00 60.14 H new ATOM 0 HE ARG A 58 2.417 13.391 -7.330 1.00 3.03 H new ATOM 0 HH11 ARG A 58 0.181 13.044 -10.043 1.00 43.41 H new ATOM 0 HH12 ARG A 58 0.585 14.620 -10.730 1.00 43.41 H new ATOM 0 HH21 ARG A 58 2.928 15.412 -8.213 1.00 25.44 H new ATOM 0 HH22 ARG A 58 2.138 15.958 -9.696 1.00 25.44 H new ATOM 882 N TYR A 59 -1.401 7.751 -7.429 1.00 64.55 N ATOM 883 CA TYR A 59 -2.499 7.107 -8.116 1.00 52.15 C ATOM 884 C TYR A 59 -3.154 6.077 -7.213 1.00 13.41 C ATOM 885 O TYR A 59 -2.518 5.121 -6.780 1.00 15.54 O ATOM 886 CB TYR A 59 -2.004 6.437 -9.392 1.00 52.40 C ATOM 887 CG TYR A 59 -1.997 7.340 -10.603 1.00 71.35 C ATOM 888 CD1 TYR A 59 -1.004 8.293 -10.776 1.00 73.21 C ATOM 889 CD2 TYR A 59 -2.985 7.235 -11.575 1.00 54.41 C ATOM 890 CE1 TYR A 59 -0.991 9.116 -11.886 1.00 75.44 C ATOM 891 CE2 TYR A 59 -2.977 8.052 -12.689 1.00 75.04 C ATOM 892 CZ TYR A 59 -1.979 8.991 -12.840 1.00 53.23 C ATOM 893 OH TYR A 59 -1.968 9.809 -13.948 1.00 45.12 O ATOM 0 H TYR A 59 -0.671 7.111 -7.115 1.00 64.55 H new ATOM 0 HA TYR A 59 -3.236 7.866 -8.378 1.00 52.15 H new ATOM 0 HB2 TYR A 59 -0.993 6.064 -9.225 1.00 52.40 H new ATOM 0 HB3 TYR A 59 -2.632 5.571 -9.602 1.00 52.40 H new ATOM 0 HD1 TYR A 59 -0.228 8.393 -10.031 1.00 73.21 H new ATOM 0 HD2 TYR A 59 -3.771 6.504 -11.458 1.00 54.41 H new ATOM 0 HE1 TYR A 59 -0.211 9.853 -12.006 1.00 75.44 H new ATOM 0 HE2 TYR A 59 -3.749 7.956 -13.438 1.00 75.04 H new ATOM 0 HH TYR A 59 -2.732 9.592 -14.523 1.00 45.12 H new ATOM 903 N LEU A 60 -4.432 6.271 -6.951 1.00 74.41 N ATOM 904 CA LEU A 60 -5.173 5.394 -6.059 1.00 52.41 C ATOM 905 C LEU A 60 -6.518 5.024 -6.652 1.00 22.31 C ATOM 906 O LEU A 60 -6.893 5.501 -7.724 1.00 2.25 O ATOM 907 CB LEU A 60 -5.371 6.063 -4.698 1.00 74.04 C ATOM 908 CG LEU A 60 -4.395 5.620 -3.612 1.00 54.51 C ATOM 909 CD1 LEU A 60 -4.561 6.473 -2.363 1.00 51.02 C ATOM 910 CD2 LEU A 60 -4.618 4.151 -3.285 1.00 3.20 C ATOM 0 H LEU A 60 -4.984 7.033 -7.345 1.00 74.41 H new ATOM 0 HA LEU A 60 -4.592 4.481 -5.927 1.00 52.41 H new ATOM 0 HB2 LEU A 60 -5.284 7.142 -4.825 1.00 74.04 H new ATOM 0 HB3 LEU A 60 -6.386 5.863 -4.356 1.00 74.04 H new ATOM 0 HG LEU A 60 -3.377 5.750 -3.980 1.00 54.51 H new ATOM 0 HD11 LEU A 60 -3.857 6.142 -1.600 1.00 51.02 H new ATOM 0 HD12 LEU A 60 -4.367 7.517 -2.607 1.00 51.02 H new ATOM 0 HD13 LEU A 60 -5.579 6.372 -1.986 1.00 51.02 H new ATOM 0 HD21 LEU A 60 -3.918 3.841 -2.509 1.00 3.20 H new ATOM 0 HD22 LEU A 60 -5.639 4.008 -2.931 1.00 3.20 H new ATOM 0 HD23 LEU A 60 -4.457 3.550 -4.180 1.00 3.20 H new ATOM 922 N SER A 61 -7.211 4.135 -5.969 1.00 34.24 N ATOM 923 CA SER A 61 -8.542 3.720 -6.358 1.00 22.11 C ATOM 924 C SER A 61 -9.324 3.363 -5.104 1.00 13.20 C ATOM 925 O SER A 61 -8.745 2.869 -4.133 1.00 11.43 O ATOM 926 CB SER A 61 -8.467 2.524 -7.311 1.00 32.33 C ATOM 927 OG SER A 61 -7.636 2.819 -8.426 1.00 14.42 O ATOM 0 H SER A 61 -6.864 3.679 -5.125 1.00 34.24 H new ATOM 0 HA SER A 61 -9.047 4.531 -6.882 1.00 22.11 H new ATOM 0 HB2 SER A 61 -8.077 1.655 -6.781 1.00 32.33 H new ATOM 0 HB3 SER A 61 -9.468 2.265 -7.656 1.00 32.33 H new ATOM 0 HG SER A 61 -7.903 2.265 -9.189 1.00 14.42 H new ATOM 933 N LYS A 62 -10.614 3.630 -5.110 1.00 72.51 N ATOM 934 CA LYS A 62 -11.437 3.384 -3.939 1.00 41.35 C ATOM 935 C LYS A 62 -12.496 2.340 -4.262 1.00 63.33 C ATOM 936 O LYS A 62 -12.468 1.226 -3.738 1.00 31.11 O ATOM 937 CB LYS A 62 -12.098 4.684 -3.480 1.00 71.31 C ATOM 938 CG LYS A 62 -12.447 4.706 -2.001 1.00 63.50 C ATOM 939 CD LYS A 62 -11.192 4.749 -1.138 1.00 3.32 C ATOM 940 CE LYS A 62 -11.523 4.997 0.324 1.00 70.45 C ATOM 941 NZ LYS A 62 -10.298 5.197 1.145 1.00 74.05 N ATOM 0 H LYS A 62 -11.116 4.016 -5.909 1.00 72.51 H new ATOM 0 HA LYS A 62 -10.807 3.009 -3.133 1.00 41.35 H new ATOM 0 HB2 LYS A 62 -11.430 5.517 -3.698 1.00 71.31 H new ATOM 0 HB3 LYS A 62 -13.007 4.843 -4.061 1.00 71.31 H new ATOM 0 HG2 LYS A 62 -13.070 5.574 -1.785 1.00 63.50 H new ATOM 0 HG3 LYS A 62 -13.034 3.822 -1.750 1.00 63.50 H new ATOM 0 HD2 LYS A 62 -10.652 3.807 -1.234 1.00 3.32 H new ATOM 0 HD3 LYS A 62 -10.529 5.535 -1.499 1.00 3.32 H new ATOM 0 HE2 LYS A 62 -12.163 5.875 0.407 1.00 70.45 H new ATOM 0 HE3 LYS A 62 -12.089 4.152 0.716 1.00 70.45 H new ATOM 0 HZ1 LYS A 62 -10.567 5.363 2.136 1.00 74.05 H new ATOM 0 HZ2 LYS A 62 -9.699 4.349 1.087 1.00 74.05 H new ATOM 0 HZ3 LYS A 62 -9.771 6.019 0.787 1.00 74.05 H new