USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 58:sc= -4.34! USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 2 THR OG1 : rot -102:sc= 1.22 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.099) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -131:sc= -0.0667 (180deg=-0.329) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= -0.0266 (180deg=-0.672) USER MOD Single : A 35 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.0034) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 44 THR OG1 : rot -37:sc= 0.563 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.93 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.395 -13.550 -0.453 1.00 0.00 N ATOM 18 CA THR A 2 4.895 -12.251 -0.903 1.00 0.00 C ATOM 19 C THR A 2 3.774 -11.412 -1.497 1.00 0.00 C ATOM 20 O THR A 2 3.010 -11.873 -2.341 1.00 0.00 O ATOM 21 CB THR A 2 6.005 -12.452 -1.940 1.00 0.00 C ATOM 22 OG1 THR A 2 6.942 -13.408 -1.493 1.00 0.00 O ATOM 23 CG2 THR A 2 6.765 -11.181 -2.251 1.00 0.00 C ATOM 0 HA THR A 2 5.297 -11.720 -0.040 1.00 0.00 H new ATOM 0 HB THR A 2 5.498 -12.789 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.740 -12.951 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.537 -11.391 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.077 -10.433 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.229 -10.803 -1.340 1.00 0.00 H new ATOM 31 N TYR A 3 3.682 -10.164 -1.047 1.00 0.00 N ATOM 32 CA TYR A 3 2.654 -9.248 -1.530 1.00 0.00 C ATOM 33 C TYR A 3 3.249 -8.226 -2.493 1.00 0.00 C ATOM 34 O TYR A 3 4.453 -7.969 -2.471 1.00 0.00 O ATOM 35 CB TYR A 3 1.994 -8.523 -0.358 1.00 0.00 C ATOM 36 CG TYR A 3 0.878 -9.299 0.300 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.885 -10.688 0.327 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.184 -8.634 0.896 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.140 -11.393 0.930 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.212 -9.331 1.499 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.186 -10.711 1.514 1.00 0.00 C ATOM 42 OH TYR A 3 -2.208 -11.409 2.115 1.00 0.00 O ATOM 0 H TYR A 3 4.308 -9.764 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 3 1.903 -9.834 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.754 -8.297 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.600 -7.570 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.703 -11.225 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.207 -7.554 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.121 -12.473 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.033 -8.799 1.957 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.842 -11.982 2.820 1.00 0.00 H new ATOM 52 N LYS A 4 2.397 -7.641 -3.332 1.00 0.00 N ATOM 53 CA LYS A 4 2.843 -6.642 -4.299 1.00 0.00 C ATOM 54 C LYS A 4 1.987 -5.378 -4.222 1.00 0.00 C ATOM 55 O LYS A 4 0.761 -5.449 -4.160 1.00 0.00 O ATOM 56 CB LYS A 4 2.800 -7.220 -5.716 1.00 0.00 C ATOM 57 CG LYS A 4 4.173 -7.370 -6.352 1.00 0.00 C ATOM 58 CD LYS A 4 4.136 -8.313 -7.544 1.00 0.00 C ATOM 59 CE LYS A 4 3.184 -7.814 -8.620 1.00 0.00 C ATOM 60 NZ LYS A 4 3.730 -6.627 -9.336 1.00 0.00 N ATOM 0 H LYS A 4 1.397 -7.841 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 4 3.870 -6.372 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.313 -8.195 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.186 -6.575 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.536 -6.393 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.879 -7.746 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.138 -8.413 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.827 -9.305 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.993 -8.614 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.227 -7.556 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.052 -6.317 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.888 -5.855 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.631 -6.879 -9.790 1.00 0.00 H new ATOM 74 N LEU A 5 2.646 -4.222 -4.227 1.00 0.00 N ATOM 75 CA LEU A 5 1.953 -2.938 -4.159 1.00 0.00 C ATOM 76 C LEU A 5 2.240 -2.084 -5.371 1.00 0.00 C ATOM 77 O LEU A 5 3.366 -2.043 -5.868 1.00 0.00 O ATOM 78 CB LEU A 5 2.377 -2.116 -2.940 1.00 0.00 C ATOM 79 CG LEU A 5 1.524 -0.862 -2.687 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.042 -1.190 -2.722 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.896 -0.207 -1.366 1.00 0.00 C ATOM 0 H LEU A 5 3.662 -4.148 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 5 0.894 -3.190 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.335 -2.753 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.417 -1.813 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 5 1.732 -0.154 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.536 -0.284 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.218 -1.596 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.186 -1.927 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.278 0.677 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.731 -0.912 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.946 0.084 -1.387 1.00 0.00 H new ATOM 93 N ILE A 6 1.232 -1.353 -5.799 1.00 0.00 N ATOM 94 CA ILE A 6 1.390 -0.441 -6.904 1.00 0.00 C ATOM 95 C ILE A 6 0.686 0.870 -6.578 1.00 0.00 C ATOM 96 O ILE A 6 -0.531 0.903 -6.402 1.00 0.00 O ATOM 97 CB ILE A 6 0.833 -1.019 -8.219 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.360 -2.437 -8.443 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.200 -0.119 -9.390 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.859 -2.500 -8.642 1.00 0.00 C ATOM 0 H ILE A 6 0.295 -1.375 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 6 2.457 -0.273 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.254 -1.064 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.089 -3.056 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.867 -2.865 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.800 -0.540 -10.312 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.779 0.874 -9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.285 -0.045 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.162 -3.536 -8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.135 -1.908 -9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.360 -2.102 -7.760 1.00 0.00 H new ATOM 112 N LEU A 7 1.460 1.945 -6.480 1.00 0.00 N ATOM 113 CA LEU A 7 0.901 3.248 -6.151 1.00 0.00 C ATOM 114 C LEU A 7 0.743 4.107 -7.395 1.00 0.00 C ATOM 115 O LEU A 7 1.660 4.214 -8.211 1.00 0.00 O ATOM 116 CB LEU A 7 1.785 3.967 -5.129 1.00 0.00 C ATOM 117 CG LEU A 7 2.150 3.138 -3.897 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.207 2.103 -4.247 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.636 4.042 -2.774 1.00 0.00 C ATOM 0 H LEU A 7 2.470 1.939 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.086 3.087 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.704 4.281 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.274 4.872 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 7 1.258 2.614 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.455 1.522 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.823 1.438 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.102 2.606 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.892 3.437 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.517 4.592 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.848 4.746 -2.507 1.00 0.00 H new ATOM 131 N ASN A 8 -0.427 4.717 -7.532 1.00 0.00 N ATOM 132 CA ASN A 8 -0.706 5.570 -8.682 1.00 0.00 C ATOM 133 C ASN A 8 -1.342 6.887 -8.249 1.00 0.00 C ATOM 134 O ASN A 8 -2.549 6.961 -8.020 1.00 0.00 O ATOM 135 CB ASN A 8 -1.619 4.844 -9.674 1.00 0.00 C ATOM 136 CG ASN A 8 -0.874 4.384 -10.912 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.162 3.725 -10.819 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.399 4.732 -12.081 1.00 0.00 N ATOM 0 H ASN A 8 -1.195 4.638 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 8 0.242 5.795 -9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.072 3.982 -9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.433 5.507 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.942 4.452 -12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.260 5.279 -12.111 1.00 0.00 H new ATOM 145 N LEU A 9 -0.519 7.926 -8.142 1.00 0.00 N ATOM 146 CA LEU A 9 -0.992 9.242 -7.739 1.00 0.00 C ATOM 147 C LEU A 9 -0.638 10.283 -8.802 1.00 0.00 C ATOM 148 O LEU A 9 0.071 9.984 -9.762 1.00 0.00 O ATOM 149 CB LEU A 9 -0.383 9.625 -6.379 1.00 0.00 C ATOM 150 CG LEU A 9 1.015 10.264 -6.441 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.948 11.771 -6.229 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.941 9.624 -5.417 1.00 0.00 C ATOM 0 H LEU A 9 0.482 7.879 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.077 9.213 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.059 10.318 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.328 8.730 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 9 1.418 10.085 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.953 12.190 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.328 12.220 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.515 11.982 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.925 10.089 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.531 9.766 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.031 8.558 -5.624 1.00 0.00 H new ATOM 213 N LYS A 13 4.590 6.583 -10.510 1.00 0.00 N ATOM 214 CA LYS A 13 4.211 5.275 -9.980 1.00 0.00 C ATOM 215 C LYS A 13 5.285 4.742 -9.036 1.00 0.00 C ATOM 216 O LYS A 13 6.461 5.086 -9.159 1.00 0.00 O ATOM 217 CB LYS A 13 3.991 4.279 -11.137 1.00 0.00 C ATOM 218 CG LYS A 13 5.239 4.055 -11.985 1.00 0.00 C ATOM 219 CD LYS A 13 4.901 3.960 -13.465 1.00 0.00 C ATOM 220 CE LYS A 13 5.813 4.839 -14.299 1.00 0.00 C ATOM 221 NZ LYS A 13 5.321 6.244 -14.373 1.00 0.00 N ATOM 0 HA LYS A 13 3.282 5.388 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.662 3.324 -10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.187 4.646 -11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.941 4.873 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.737 3.140 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.990 2.925 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.864 4.256 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.816 4.828 -13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.890 4.429 -15.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.973 6.810 -14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.374 6.258 -14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.271 6.645 -13.415 1.00 0.00 H new ATOM 235 N GLU A 14 4.875 3.901 -8.099 1.00 0.00 N ATOM 236 CA GLU A 14 5.800 3.316 -7.133 1.00 0.00 C ATOM 237 C GLU A 14 5.438 1.859 -6.856 1.00 0.00 C ATOM 238 O GLU A 14 4.300 1.442 -7.065 1.00 0.00 O ATOM 239 CB GLU A 14 5.793 4.122 -5.831 1.00 0.00 C ATOM 240 CG GLU A 14 7.176 4.316 -5.231 1.00 0.00 C ATOM 241 CD GLU A 14 7.137 4.528 -3.731 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.068 4.913 -3.213 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.176 4.308 -3.073 1.00 0.00 O ATOM 0 H GLU A 14 3.905 3.606 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 14 6.804 3.347 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.347 5.099 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.158 3.617 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.791 3.444 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.656 5.174 -5.703 1.00 0.00 H new ATOM 250 N GLU A 15 6.417 1.085 -6.394 1.00 0.00 N ATOM 251 CA GLU A 15 6.198 -0.329 -6.102 1.00 0.00 C ATOM 252 C GLU A 15 6.522 -0.654 -4.645 1.00 0.00 C ATOM 253 O GLU A 15 7.213 0.106 -3.966 1.00 0.00 O ATOM 254 CB GLU A 15 7.051 -1.198 -7.031 1.00 0.00 C ATOM 255 CG GLU A 15 7.059 -0.718 -8.474 1.00 0.00 C ATOM 256 CD GLU A 15 8.172 -1.344 -9.282 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.019 -2.509 -9.705 1.00 0.00 O ATOM 258 OE2 GLU A 15 9.201 -0.666 -9.500 1.00 0.00 O ATOM 0 H GLU A 15 7.366 1.412 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 15 5.143 -0.545 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.075 -1.218 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.680 -2.222 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.101 -0.952 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.165 0.367 -8.493 1.00 0.00 H new ATOM 265 N ALA A 16 6.022 -1.796 -4.177 1.00 0.00 N ATOM 266 CA ALA A 16 6.255 -2.243 -2.815 1.00 0.00 C ATOM 267 C ALA A 16 5.924 -3.723 -2.694 1.00 0.00 C ATOM 268 O ALA A 16 4.979 -4.211 -3.308 1.00 0.00 O ATOM 269 CB ALA A 16 5.409 -1.431 -1.827 1.00 0.00 C ATOM 0 H ALA A 16 5.448 -2.431 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 16 7.307 -2.090 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.598 -1.781 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.674 -0.376 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.352 -1.557 -2.063 1.00 0.00 H new ATOM 275 N ILE A 17 6.704 -4.430 -1.898 1.00 0.00 N ATOM 276 CA ILE A 17 6.490 -5.858 -1.693 1.00 0.00 C ATOM 277 C ILE A 17 6.756 -6.250 -0.249 1.00 0.00 C ATOM 278 O ILE A 17 7.751 -5.831 0.344 1.00 0.00 O ATOM 279 CB ILE A 17 7.381 -6.719 -2.604 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.710 -6.015 -2.896 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.653 -7.051 -3.898 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.570 -5.804 -1.669 1.00 0.00 C ATOM 0 H ILE A 17 7.493 -4.042 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 17 5.446 -6.045 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 17 7.602 -7.650 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.270 -6.602 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.505 -5.048 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.297 -7.661 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.740 -7.602 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.399 -6.128 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.494 -5.301 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.030 -5.191 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.806 -6.769 -1.220 1.00 0.00 H new ATOM 294 N LYS A 18 5.864 -7.054 0.314 1.00 0.00 N ATOM 295 CA LYS A 18 6.011 -7.491 1.696 1.00 0.00 C ATOM 296 C LYS A 18 5.654 -8.965 1.849 1.00 0.00 C ATOM 297 O LYS A 18 4.717 -9.457 1.220 1.00 0.00 O ATOM 298 CB LYS A 18 5.129 -6.640 2.621 1.00 0.00 C ATOM 299 CG LYS A 18 4.752 -5.290 2.038 1.00 0.00 C ATOM 300 CD LYS A 18 5.867 -4.254 2.171 1.00 0.00 C ATOM 301 CE LYS A 18 6.475 -4.237 3.565 1.00 0.00 C ATOM 302 NZ LYS A 18 7.763 -4.985 3.619 1.00 0.00 N ATOM 0 H LYS A 18 5.037 -7.415 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 18 7.056 -7.361 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.218 -7.194 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.652 -6.484 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.500 -5.412 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.857 -4.920 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.647 -4.466 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.471 -3.266 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.641 -3.206 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.771 -4.674 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.749 -5.642 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.890 -5.522 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.550 -4.314 3.732 1.00 0.00 H new ATOM 316 N GLU A 19 6.407 -9.663 2.693 1.00 0.00 N ATOM 317 CA GLU A 19 6.171 -11.079 2.936 1.00 0.00 C ATOM 318 C GLU A 19 5.671 -11.308 4.359 1.00 0.00 C ATOM 319 O GLU A 19 6.424 -11.169 5.323 1.00 0.00 O ATOM 320 CB GLU A 19 7.456 -11.878 2.699 1.00 0.00 C ATOM 321 CG GLU A 19 7.228 -13.178 1.957 1.00 0.00 C ATOM 322 CD GLU A 19 8.424 -13.588 1.113 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.750 -12.849 0.159 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.030 -14.631 1.410 1.00 0.00 O ATOM 0 H GLU A 19 7.186 -9.269 3.220 1.00 0.00 H new ATOM 0 HA GLU A 19 5.405 -11.421 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.158 -11.264 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.923 -12.094 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.007 -13.968 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.353 -13.077 1.315 1.00 0.00 H new ATOM 331 N ALA A 20 4.392 -11.645 4.484 1.00 0.00 N ATOM 332 CA ALA A 20 3.792 -11.894 5.788 1.00 0.00 C ATOM 333 C ALA A 20 2.941 -13.158 5.775 1.00 0.00 C ATOM 334 O ALA A 20 2.690 -13.739 4.718 1.00 0.00 O ATOM 335 CB ALA A 20 2.953 -10.698 6.214 1.00 0.00 C ATOM 0 H ALA A 20 3.751 -11.752 3.698 1.00 0.00 H new ATOM 0 HA ALA A 20 4.597 -12.041 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.509 -10.894 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.586 -9.813 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.162 -10.529 5.483 1.00 0.00 H new ATOM 341 N VAL A 21 2.501 -13.580 6.955 1.00 0.00 N ATOM 342 CA VAL A 21 1.677 -14.774 7.083 1.00 0.00 C ATOM 343 C VAL A 21 0.241 -14.498 6.645 1.00 0.00 C ATOM 344 O VAL A 21 -0.445 -15.388 6.143 1.00 0.00 O ATOM 345 CB VAL A 21 1.673 -15.299 8.531 1.00 0.00 C ATOM 346 CG1 VAL A 21 1.081 -14.272 9.478 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.916 -16.615 8.623 1.00 0.00 C ATOM 0 H VAL A 21 2.702 -13.111 7.838 1.00 0.00 H new ATOM 0 HA VAL A 21 2.111 -15.533 6.433 1.00 0.00 H new ATOM 0 HB VAL A 21 2.706 -15.477 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.089 -14.667 10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.673 -13.357 9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.055 -14.053 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.925 -16.969 9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.114 -16.466 8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.394 -17.355 7.981 1.00 0.00 H new ATOM 357 N ASP A 22 -0.204 -13.267 6.837 1.00 0.00 N ATOM 358 CA ASP A 22 -1.553 -12.875 6.464 1.00 0.00 C ATOM 359 C ASP A 22 -1.514 -11.741 5.440 1.00 0.00 C ATOM 360 O ASP A 22 -0.577 -11.642 4.647 1.00 0.00 O ATOM 361 CB ASP A 22 -2.334 -12.452 7.713 1.00 0.00 C ATOM 362 CG ASP A 22 -3.783 -12.897 7.668 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.071 -14.027 8.114 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.629 -12.115 7.185 1.00 0.00 O ATOM 0 H ASP A 22 0.352 -12.519 7.251 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.058 -13.726 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.855 -12.873 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.293 -11.367 7.814 1.00 0.00 H new ATOM 369 N ALA A 23 -2.535 -10.889 5.455 1.00 0.00 N ATOM 370 CA ALA A 23 -2.611 -9.771 4.523 1.00 0.00 C ATOM 371 C ALA A 23 -2.591 -8.434 5.258 1.00 0.00 C ATOM 372 O ALA A 23 -2.122 -7.427 4.724 1.00 0.00 O ATOM 373 CB ALA A 23 -3.865 -9.883 3.669 1.00 0.00 C ATOM 0 H ALA A 23 -3.321 -10.952 6.103 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.734 -9.812 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.910 -9.042 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.839 -10.816 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.745 -9.872 4.312 1.00 0.00 H new ATOM 379 N GLY A 24 -3.106 -8.427 6.483 1.00 0.00 N ATOM 380 CA GLY A 24 -3.141 -7.208 7.266 1.00 0.00 C ATOM 381 C GLY A 24 -1.765 -6.604 7.477 1.00 0.00 C ATOM 382 O GLY A 24 -1.623 -5.389 7.635 1.00 0.00 O ATOM 0 H GLY A 24 -3.500 -9.245 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.780 -6.479 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.593 -7.417 8.235 1.00 0.00 H new ATOM 386 N ILE A 25 -0.746 -7.454 7.482 1.00 0.00 N ATOM 387 CA ILE A 25 0.624 -6.999 7.680 1.00 0.00 C ATOM 388 C ILE A 25 1.088 -6.133 6.509 1.00 0.00 C ATOM 389 O ILE A 25 1.698 -5.078 6.706 1.00 0.00 O ATOM 390 CB ILE A 25 1.595 -8.192 7.862 1.00 0.00 C ATOM 391 CG1 ILE A 25 1.371 -8.865 9.222 1.00 0.00 C ATOM 392 CG2 ILE A 25 3.044 -7.739 7.733 1.00 0.00 C ATOM 393 CD1 ILE A 25 1.459 -7.908 10.393 1.00 0.00 C ATOM 0 H ILE A 25 -0.842 -8.461 7.351 1.00 0.00 H new ATOM 0 HA ILE A 25 0.635 -6.400 8.591 1.00 0.00 H new ATOM 0 HB ILE A 25 1.390 -8.916 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.391 -9.341 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.110 -9.656 9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.706 -8.595 7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.203 -7.306 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.261 -6.992 8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.290 -8.453 11.322 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.448 -7.450 10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.702 -7.131 10.286 1.00 0.00 H new ATOM 405 N ALA A 26 0.808 -6.581 5.290 1.00 0.00 N ATOM 406 CA ALA A 26 1.219 -5.834 4.112 1.00 0.00 C ATOM 407 C ALA A 26 0.480 -4.510 3.999 1.00 0.00 C ATOM 408 O ALA A 26 1.105 -3.472 3.799 1.00 0.00 O ATOM 409 CB ALA A 26 1.036 -6.644 2.843 1.00 0.00 C ATOM 0 H ALA A 26 0.305 -7.446 5.095 1.00 0.00 H new ATOM 0 HA ALA A 26 2.281 -5.623 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.354 -6.052 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.637 -7.551 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.015 -6.911 2.730 1.00 0.00 H new ATOM 415 N GLU A 27 -0.847 -4.535 4.125 1.00 0.00 N ATOM 416 CA GLU A 27 -1.618 -3.292 4.027 1.00 0.00 C ATOM 417 C GLU A 27 -1.041 -2.254 4.980 1.00 0.00 C ATOM 418 O GLU A 27 -1.113 -1.053 4.722 1.00 0.00 O ATOM 419 CB GLU A 27 -3.109 -3.495 4.324 1.00 0.00 C ATOM 420 CG GLU A 27 -3.381 -4.011 5.717 1.00 0.00 C ATOM 421 CD GLU A 27 -4.797 -4.526 5.881 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.285 -5.226 4.968 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.420 -4.230 6.922 1.00 0.00 O ATOM 0 H GLU A 27 -1.400 -5.376 4.291 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.540 -2.945 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.631 -2.548 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.524 -4.195 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.678 -4.811 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.203 -3.213 6.438 1.00 0.00 H new ATOM 430 N LYS A 28 -0.450 -2.730 6.075 1.00 0.00 N ATOM 431 CA LYS A 28 0.160 -1.842 7.055 1.00 0.00 C ATOM 432 C LYS A 28 1.394 -1.170 6.464 1.00 0.00 C ATOM 433 O LYS A 28 1.613 0.022 6.664 1.00 0.00 O ATOM 434 CB LYS A 28 0.536 -2.613 8.321 1.00 0.00 C ATOM 435 CG LYS A 28 -0.657 -3.230 9.031 1.00 0.00 C ATOM 436 CD LYS A 28 -1.096 -2.391 10.222 1.00 0.00 C ATOM 437 CE LYS A 28 -2.463 -1.766 9.991 1.00 0.00 C ATOM 438 NZ LYS A 28 -2.769 -0.709 10.995 1.00 0.00 N ATOM 0 H LYS A 28 -0.382 -3.722 6.303 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.566 -1.074 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.242 -3.402 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.049 -1.940 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.486 -3.330 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.401 -4.235 9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.126 -3.014 11.116 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.362 -1.606 10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.501 -1.337 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.228 -2.541 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.709 -0.309 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.758 -1.123 11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.054 0.044 10.936 1.00 0.00 H new ATOM 452 N TYR A 29 2.192 -1.938 5.723 1.00 0.00 N ATOM 453 CA TYR A 29 3.398 -1.397 5.092 1.00 0.00 C ATOM 454 C TYR A 29 3.069 -0.714 3.798 1.00 0.00 C ATOM 455 O TYR A 29 3.662 0.300 3.430 1.00 0.00 O ATOM 456 CB TYR A 29 4.402 -2.494 4.803 1.00 0.00 C ATOM 457 CG TYR A 29 5.368 -2.650 5.950 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.975 -1.518 6.470 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.663 -3.878 6.523 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.842 -1.592 7.517 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.538 -3.967 7.585 1.00 0.00 C ATOM 462 CZ TYR A 29 7.130 -2.819 8.081 1.00 0.00 C ATOM 463 OH TYR A 29 8.009 -2.899 9.142 1.00 0.00 O ATOM 0 H TYR A 29 2.028 -2.929 5.545 1.00 0.00 H new ATOM 0 HA TYR A 29 3.825 -0.679 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.880 -3.435 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.949 -2.261 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.755 -0.554 6.034 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.203 -4.774 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.302 -0.695 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.760 -4.927 8.027 1.00 0.00 H new ATOM 0 HH TYR A 29 8.100 -3.834 9.421 1.00 0.00 H new ATOM 473 N PHE A 30 2.105 -1.279 3.127 1.00 0.00 N ATOM 474 CA PHE A 30 1.642 -0.757 1.880 1.00 0.00 C ATOM 475 C PHE A 30 1.034 0.601 2.151 1.00 0.00 C ATOM 476 O PHE A 30 1.164 1.533 1.359 1.00 0.00 O ATOM 477 CB PHE A 30 0.634 -1.739 1.287 1.00 0.00 C ATOM 478 CG PHE A 30 1.262 -3.001 0.739 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.609 -3.073 0.437 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.479 -4.092 0.479 1.00 0.00 C ATOM 481 CE1 PHE A 30 3.155 -4.214 -0.114 1.00 0.00 C ATOM 482 CE2 PHE A 30 1.007 -5.238 -0.083 1.00 0.00 C ATOM 483 CZ PHE A 30 2.351 -5.297 -0.383 1.00 0.00 C ATOM 0 H PHE A 30 1.618 -2.120 3.435 1.00 0.00 H new ATOM 0 HA PHE A 30 2.448 -0.636 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.091 -2.009 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.083 -1.242 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.244 -2.222 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.574 -4.057 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.212 -4.257 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.369 -6.085 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.770 -6.188 -0.827 1.00 0.00 H new ATOM 493 N LYS A 31 0.418 0.708 3.325 1.00 0.00 N ATOM 494 CA LYS A 31 -0.160 1.953 3.774 1.00 0.00 C ATOM 495 C LYS A 31 0.900 2.735 4.545 1.00 0.00 C ATOM 496 O LYS A 31 0.811 3.954 4.675 1.00 0.00 O ATOM 497 CB LYS A 31 -1.405 1.710 4.640 1.00 0.00 C ATOM 498 CG LYS A 31 -1.102 1.305 6.077 1.00 0.00 C ATOM 499 CD LYS A 31 -2.344 0.784 6.781 1.00 0.00 C ATOM 500 CE LYS A 31 -3.378 1.881 6.972 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.355 1.929 5.848 1.00 0.00 N ATOM 0 H LYS A 31 0.310 -0.065 3.982 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.484 2.532 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.008 2.618 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.010 0.931 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.329 0.537 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.706 2.162 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.778 -0.030 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.067 0.371 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.911 1.718 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.874 2.844 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.434 2.905 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.029 1.310 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.285 1.605 6.182 1.00 0.00 H new ATOM 515 N LEU A 32 1.925 2.021 5.043 1.00 0.00 N ATOM 516 CA LEU A 32 3.005 2.683 5.779 1.00 0.00 C ATOM 517 C LEU A 32 3.780 3.613 4.847 1.00 0.00 C ATOM 518 O LEU A 32 4.036 4.771 5.183 1.00 0.00 O ATOM 519 CB LEU A 32 3.953 1.679 6.455 1.00 0.00 C ATOM 520 CG LEU A 32 4.958 2.312 7.419 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.239 3.158 8.458 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.794 1.239 8.088 1.00 0.00 C ATOM 0 H LEU A 32 2.024 1.010 4.950 1.00 0.00 H new ATOM 0 HA LEU A 32 2.547 3.270 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.358 0.945 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.500 1.137 5.683 1.00 0.00 H new ATOM 0 HG LEU A 32 5.623 2.962 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.969 3.601 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.680 3.950 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.551 2.531 9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.505 1.704 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.143 0.565 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.336 0.675 7.329 1.00 0.00 H new ATOM 534 N ILE A 33 4.134 3.111 3.664 1.00 0.00 N ATOM 535 CA ILE A 33 4.855 3.915 2.691 1.00 0.00 C ATOM 536 C ILE A 33 3.890 4.738 1.847 1.00 0.00 C ATOM 537 O ILE A 33 4.204 5.857 1.450 1.00 0.00 O ATOM 538 CB ILE A 33 5.728 3.052 1.759 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.516 3.940 0.786 1.00 0.00 C ATOM 540 CG2 ILE A 33 4.869 2.054 0.993 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.084 5.194 1.423 1.00 0.00 C ATOM 0 H ILE A 33 3.933 2.158 3.362 1.00 0.00 H new ATOM 0 HA ILE A 33 5.508 4.579 3.258 1.00 0.00 H new ATOM 0 HB ILE A 33 6.438 2.496 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.333 3.359 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.864 4.226 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.503 1.454 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.353 1.402 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.135 2.591 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.627 5.769 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.271 5.798 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.763 4.917 2.229 1.00 0.00 H new ATOM 553 N ALA A 34 2.707 4.189 1.579 1.00 0.00 N ATOM 554 CA ALA A 34 1.713 4.901 0.791 1.00 0.00 C ATOM 555 C ALA A 34 1.380 6.233 1.449 1.00 0.00 C ATOM 556 O ALA A 34 1.073 7.215 0.773 1.00 0.00 O ATOM 557 CB ALA A 34 0.465 4.053 0.623 1.00 0.00 C ATOM 0 H ALA A 34 2.419 3.263 1.894 1.00 0.00 H new ATOM 0 HA ALA A 34 2.123 5.100 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.269 4.600 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.722 3.124 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.045 3.826 1.603 1.00 0.00 H new ATOM 563 N ASN A 35 1.468 6.263 2.778 1.00 0.00 N ATOM 564 CA ASN A 35 1.202 7.478 3.534 1.00 0.00 C ATOM 565 C ASN A 35 2.463 8.333 3.591 1.00 0.00 C ATOM 566 O ASN A 35 2.400 9.560 3.519 1.00 0.00 O ATOM 567 CB ASN A 35 0.729 7.141 4.950 1.00 0.00 C ATOM 568 CG ASN A 35 -0.742 7.445 5.155 1.00 0.00 C ATOM 569 OD1 ASN A 35 -1.128 8.067 6.146 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.574 7.009 4.217 1.00 0.00 N ATOM 0 H ASN A 35 1.722 5.458 3.350 1.00 0.00 H new ATOM 0 HA ASN A 35 0.411 8.036 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.910 6.085 5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.318 7.707 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.575 7.185 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.212 6.498 3.412 1.00 0.00 H new ATOM 577 N ALA A 36 3.611 7.669 3.705 1.00 0.00 N ATOM 578 CA ALA A 36 4.891 8.362 3.755 1.00 0.00 C ATOM 579 C ALA A 36 5.227 8.961 2.392 1.00 0.00 C ATOM 580 O ALA A 36 5.870 10.006 2.301 1.00 0.00 O ATOM 581 CB ALA A 36 5.992 7.413 4.204 1.00 0.00 C ATOM 0 H ALA A 36 3.679 6.653 3.764 1.00 0.00 H new ATOM 0 HA ALA A 36 4.816 9.173 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.942 7.947 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.758 7.028 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.066 6.583 3.501 1.00 0.00 H new ATOM 587 N LYS A 37 4.773 8.291 1.336 1.00 0.00 N ATOM 588 CA LYS A 37 5.010 8.762 -0.028 1.00 0.00 C ATOM 589 C LYS A 37 3.837 9.607 -0.513 1.00 0.00 C ATOM 590 O LYS A 37 4.015 10.742 -0.957 1.00 0.00 O ATOM 591 CB LYS A 37 5.240 7.594 -1.000 1.00 0.00 C ATOM 592 CG LYS A 37 6.636 6.997 -0.913 1.00 0.00 C ATOM 593 CD LYS A 37 7.501 7.425 -2.088 1.00 0.00 C ATOM 594 CE LYS A 37 8.966 7.095 -1.848 1.00 0.00 C ATOM 595 NZ LYS A 37 9.856 7.767 -2.835 1.00 0.00 N ATOM 0 H LYS A 37 4.241 7.423 1.397 1.00 0.00 H new ATOM 0 HA LYS A 37 5.913 9.372 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.507 6.814 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.064 7.940 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.108 7.307 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.567 5.909 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.158 6.927 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.390 8.497 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.246 7.400 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.109 6.016 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.846 7.516 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.606 7.457 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.739 8.798 -2.763 1.00 0.00 H new ATOM 609 N THR A 38 2.634 9.044 -0.422 1.00 0.00 N ATOM 610 CA THR A 38 1.421 9.736 -0.845 1.00 0.00 C ATOM 611 C THR A 38 0.477 9.938 0.337 1.00 0.00 C ATOM 612 O THR A 38 0.806 9.586 1.470 1.00 0.00 O ATOM 613 CB THR A 38 0.714 8.941 -1.946 1.00 0.00 C ATOM 614 OG1 THR A 38 1.640 8.135 -2.653 1.00 0.00 O ATOM 615 CG2 THR A 38 0.002 9.815 -2.955 1.00 0.00 C ATOM 0 H THR A 38 2.474 8.105 -0.057 1.00 0.00 H new ATOM 0 HA THR A 38 1.704 10.713 -1.237 1.00 0.00 H new ATOM 0 HB THR A 38 -0.029 8.332 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.170 7.633 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.477 9.187 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.754 10.415 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.723 10.474 -3.439 1.00 0.00 H new ATOM 623 N VAL A 39 -0.697 10.507 0.069 1.00 0.00 N ATOM 624 CA VAL A 39 -1.682 10.753 1.120 1.00 0.00 C ATOM 625 C VAL A 39 -3.073 10.999 0.537 1.00 0.00 C ATOM 626 O VAL A 39 -3.806 11.868 1.007 1.00 0.00 O ATOM 627 CB VAL A 39 -1.286 11.962 1.991 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.225 11.568 3.008 1.00 0.00 C ATOM 629 CG2 VAL A 39 -0.803 13.114 1.123 1.00 0.00 C ATOM 0 H VAL A 39 -0.988 10.805 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.706 9.856 1.739 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.170 12.295 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.040 12.436 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.615 10.781 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.661 11.204 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.529 13.957 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.065 12.796 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.599 13.416 0.443 1.00 0.00 H new ATOM 639 N GLU A 40 -3.436 10.227 -0.487 1.00 0.00 N ATOM 640 CA GLU A 40 -4.745 10.369 -1.122 1.00 0.00 C ATOM 641 C GLU A 40 -4.874 9.457 -2.338 1.00 0.00 C ATOM 642 O GLU A 40 -3.985 9.409 -3.188 1.00 0.00 O ATOM 643 CB GLU A 40 -4.985 11.822 -1.541 1.00 0.00 C ATOM 644 CG GLU A 40 -3.800 12.456 -2.250 1.00 0.00 C ATOM 645 CD GLU A 40 -4.003 12.556 -3.749 1.00 0.00 C ATOM 646 OE1 GLU A 40 -5.091 13.001 -4.172 1.00 0.00 O ATOM 647 OE2 GLU A 40 -3.075 12.189 -4.500 1.00 0.00 O ATOM 0 H GLU A 40 -2.845 9.501 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.498 10.077 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.854 11.863 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.226 12.411 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.628 13.453 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.904 11.870 -2.047 1.00 0.00 H new ATOM 654 N GLY A 41 -5.989 8.734 -2.413 1.00 0.00 N ATOM 655 CA GLY A 41 -6.216 7.832 -3.533 1.00 0.00 C ATOM 656 C GLY A 41 -7.133 6.678 -3.177 1.00 0.00 C ATOM 657 O GLY A 41 -7.316 6.362 -2.001 1.00 0.00 O ATOM 0 H GLY A 41 -6.738 8.755 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.648 8.391 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.260 7.438 -3.877 1.00 0.00 H new ATOM 661 N VAL A 42 -7.706 6.039 -4.196 1.00 0.00 N ATOM 662 CA VAL A 42 -8.600 4.907 -3.980 1.00 0.00 C ATOM 663 C VAL A 42 -7.798 3.646 -3.690 1.00 0.00 C ATOM 664 O VAL A 42 -7.068 3.148 -4.546 1.00 0.00 O ATOM 665 CB VAL A 42 -9.514 4.661 -5.195 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.449 5.841 -5.403 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.689 4.395 -6.444 1.00 0.00 C ATOM 0 H VAL A 42 -7.566 6.286 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.228 5.150 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.119 3.776 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.088 5.651 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.068 5.976 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.863 6.743 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.355 4.224 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.054 5.256 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.067 3.514 -6.288 1.00 0.00 H new ATOM 677 N TRP A 43 -7.923 3.154 -2.466 1.00 0.00 N ATOM 678 CA TRP A 43 -7.207 1.977 -2.025 1.00 0.00 C ATOM 679 C TRP A 43 -7.933 0.693 -2.421 1.00 0.00 C ATOM 680 O TRP A 43 -9.136 0.555 -2.201 1.00 0.00 O ATOM 681 CB TRP A 43 -7.063 2.064 -0.515 1.00 0.00 C ATOM 682 CG TRP A 43 -5.740 2.613 -0.063 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.399 3.936 0.024 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.583 1.875 0.363 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.111 4.065 0.473 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.591 2.819 0.693 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.277 0.512 0.506 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.333 2.446 1.150 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -3.022 0.161 0.961 1.00 0.00 C ATOM 690 CH2 TRP A 43 -2.072 1.121 1.277 1.00 0.00 C ATOM 0 H TRP A 43 -8.526 3.564 -1.753 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.229 1.943 -2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.861 2.692 -0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.198 1.070 -0.089 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.052 4.760 -0.225 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.620 4.947 0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.008 -0.246 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.587 3.187 1.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.774 -0.884 1.073 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.102 0.806 1.632 1.00 0.00 H new ATOM 701 N THR A 44 -7.191 -0.245 -3.004 1.00 0.00 N ATOM 702 CA THR A 44 -7.758 -1.522 -3.428 1.00 0.00 C ATOM 703 C THR A 44 -6.732 -2.646 -3.293 1.00 0.00 C ATOM 704 O THR A 44 -5.529 -2.413 -3.398 1.00 0.00 O ATOM 705 CB THR A 44 -8.246 -1.432 -4.875 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.151 -1.382 -5.771 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.111 -0.219 -5.139 1.00 0.00 C ATOM 0 H THR A 44 -6.194 -0.144 -3.194 1.00 0.00 H new ATOM 0 HA THR A 44 -8.605 -1.748 -2.780 1.00 0.00 H new ATOM 0 HB THR A 44 -8.846 -2.328 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.427 -0.854 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.423 -0.215 -6.183 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.991 -0.253 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.542 0.686 -4.927 1.00 0.00 H new ATOM 715 N TYR A 45 -7.215 -3.864 -3.066 1.00 0.00 N ATOM 716 CA TYR A 45 -6.333 -5.023 -2.926 1.00 0.00 C ATOM 717 C TYR A 45 -6.906 -6.237 -3.651 1.00 0.00 C ATOM 718 O TYR A 45 -8.117 -6.460 -3.654 1.00 0.00 O ATOM 719 CB TYR A 45 -6.086 -5.347 -1.442 1.00 0.00 C ATOM 720 CG TYR A 45 -5.646 -6.775 -1.183 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.382 -7.211 -1.556 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.498 -7.681 -0.565 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.978 -8.511 -1.321 1.00 0.00 C ATOM 724 CE2 TYR A 45 -6.100 -8.983 -0.325 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.841 -9.393 -0.705 1.00 0.00 C ATOM 726 OH TYR A 45 -4.441 -10.689 -0.468 1.00 0.00 O ATOM 0 H TYR A 45 -8.209 -4.076 -2.975 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.377 -4.773 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.326 -4.668 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.001 -5.153 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.703 -6.523 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.486 -7.364 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.992 -8.835 -1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.773 -9.676 0.158 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.165 -11.179 -0.026 1.00 0.00 H new ATOM 736 N LYS A 46 -6.024 -7.023 -4.262 1.00 0.00 N ATOM 737 CA LYS A 46 -6.433 -8.219 -4.988 1.00 0.00 C ATOM 738 C LYS A 46 -6.022 -9.477 -4.228 1.00 0.00 C ATOM 739 O LYS A 46 -4.904 -9.568 -3.718 1.00 0.00 O ATOM 740 CB LYS A 46 -5.814 -8.230 -6.387 1.00 0.00 C ATOM 741 CG LYS A 46 -5.919 -6.898 -7.109 1.00 0.00 C ATOM 742 CD LYS A 46 -4.910 -6.798 -8.241 1.00 0.00 C ATOM 743 CE LYS A 46 -5.146 -5.561 -9.093 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.965 -5.235 -9.938 1.00 0.00 N ATOM 0 H LYS A 46 -5.019 -6.851 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.519 -8.206 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.763 -8.509 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.304 -8.998 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.927 -6.777 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.755 -6.085 -6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.901 -6.770 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.974 -7.689 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.016 -5.720 -9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.375 -4.714 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.166 -4.386 -10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.141 -5.058 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.761 -6.033 -10.573 1.00 0.00 H new ATOM 758 N ASP A 47 -6.931 -10.444 -4.155 1.00 0.00 N ATOM 759 CA ASP A 47 -6.660 -11.696 -3.455 1.00 0.00 C ATOM 760 C ASP A 47 -6.157 -12.764 -4.420 1.00 0.00 C ATOM 761 O ASP A 47 -5.407 -13.652 -4.034 1.00 0.00 O ATOM 762 CB ASP A 47 -7.920 -12.191 -2.744 1.00 0.00 C ATOM 763 CG ASP A 47 -7.670 -13.445 -1.929 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.980 -13.350 -0.893 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.167 -14.512 -2.325 1.00 0.00 O ATOM 0 H ASP A 47 -7.860 -10.386 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.883 -11.506 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.297 -11.405 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.696 -12.390 -3.483 1.00 0.00 H new ATOM 770 N GLU A 48 -6.582 -12.666 -5.676 1.00 0.00 N ATOM 771 CA GLU A 48 -6.181 -13.622 -6.700 1.00 0.00 C ATOM 772 C GLU A 48 -4.662 -13.750 -6.773 1.00 0.00 C ATOM 773 O GLU A 48 -4.137 -14.813 -7.104 1.00 0.00 O ATOM 774 CB GLU A 48 -6.735 -13.202 -8.063 1.00 0.00 C ATOM 775 CG GLU A 48 -6.680 -14.306 -9.108 1.00 0.00 C ATOM 776 CD GLU A 48 -6.240 -13.799 -10.467 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.542 -12.634 -10.793 1.00 0.00 O ATOM 778 OE2 GLU A 48 -5.596 -14.571 -11.208 1.00 0.00 O ATOM 0 H GLU A 48 -7.206 -11.931 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.592 -14.594 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.769 -12.879 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.172 -12.342 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.993 -15.084 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.664 -14.767 -9.197 1.00 0.00 H new ATOM 785 N ILE A 49 -3.960 -12.660 -6.467 1.00 0.00 N ATOM 786 CA ILE A 49 -2.501 -12.665 -6.504 1.00 0.00 C ATOM 787 C ILE A 49 -1.905 -11.867 -5.343 1.00 0.00 C ATOM 788 O ILE A 49 -0.720 -11.536 -5.355 1.00 0.00 O ATOM 789 CB ILE A 49 -1.971 -12.082 -7.829 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.450 -10.644 -8.017 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.402 -12.954 -9.003 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.933 -10.525 -8.302 1.00 0.00 C ATOM 0 H ILE A 49 -4.375 -11.769 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.194 -13.707 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.882 -12.072 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.215 -10.073 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.894 -10.190 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.020 -12.529 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.004 -13.961 -8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.490 -12.997 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.197 -9.474 -8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.172 -11.067 -9.217 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.498 -10.948 -7.471 1.00 0.00 H new ATOM 804 N LYS A 50 -2.727 -11.571 -4.340 1.00 0.00 N ATOM 805 CA LYS A 50 -2.269 -10.815 -3.174 1.00 0.00 C ATOM 806 C LYS A 50 -1.493 -9.569 -3.597 1.00 0.00 C ATOM 807 O LYS A 50 -0.264 -9.527 -3.504 1.00 0.00 O ATOM 808 CB LYS A 50 -1.391 -11.694 -2.278 1.00 0.00 C ATOM 809 CG LYS A 50 -1.843 -13.138 -2.212 1.00 0.00 C ATOM 810 CD LYS A 50 -3.184 -13.278 -1.510 1.00 0.00 C ATOM 811 CE LYS A 50 -3.017 -13.399 -0.003 1.00 0.00 C ATOM 812 NZ LYS A 50 -3.835 -14.509 0.559 1.00 0.00 N ATOM 0 H LYS A 50 -3.710 -11.841 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.149 -10.500 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.365 -11.660 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.384 -11.278 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.917 -13.542 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.094 -13.730 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.807 -12.414 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.705 -14.157 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.966 -13.567 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.305 -12.460 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.693 -14.558 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.840 -14.337 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.544 -15.409 0.126 1.00 0.00 H new ATOM 826 N THR A 51 -2.214 -8.556 -4.066 1.00 0.00 N ATOM 827 CA THR A 51 -1.582 -7.318 -4.507 1.00 0.00 C ATOM 828 C THR A 51 -2.422 -6.099 -4.146 1.00 0.00 C ATOM 829 O THR A 51 -3.615 -6.041 -4.440 1.00 0.00 O ATOM 830 CB THR A 51 -1.341 -7.360 -6.018 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.486 -8.437 -6.360 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.721 -6.092 -6.567 1.00 0.00 C ATOM 0 H THR A 51 -3.230 -8.567 -4.150 1.00 0.00 H new ATOM 0 HA THR A 51 -0.627 -7.230 -3.990 1.00 0.00 H new ATOM 0 HB THR A 51 -2.330 -7.481 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.345 -8.448 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.579 -6.193 -7.643 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.380 -5.248 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.243 -5.921 -6.088 1.00 0.00 H new ATOM 840 N PHE A 52 -1.778 -5.123 -3.516 1.00 0.00 N ATOM 841 CA PHE A 52 -2.447 -3.891 -3.121 1.00 0.00 C ATOM 842 C PHE A 52 -2.183 -2.799 -4.151 1.00 0.00 C ATOM 843 O PHE A 52 -1.088 -2.699 -4.700 1.00 0.00 O ATOM 844 CB PHE A 52 -1.966 -3.452 -1.738 1.00 0.00 C ATOM 845 CG PHE A 52 -2.925 -3.773 -0.629 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.972 -5.046 -0.084 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.776 -2.801 -0.131 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.854 -5.345 0.938 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.660 -3.093 0.891 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.699 -4.366 1.426 1.00 0.00 C ATOM 0 H PHE A 52 -0.790 -5.162 -3.267 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.521 -4.070 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.010 -3.931 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.788 -2.377 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.312 -5.813 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.749 -1.804 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.883 -6.341 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.319 -2.327 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.389 -4.596 2.225 1.00 0.00 H new ATOM 860 N THR A 53 -3.198 -1.998 -4.422 1.00 0.00 N ATOM 861 CA THR A 53 -3.076 -0.922 -5.406 1.00 0.00 C ATOM 862 C THR A 53 -3.864 0.322 -4.998 1.00 0.00 C ATOM 863 O THR A 53 -4.993 0.223 -4.518 1.00 0.00 O ATOM 864 CB THR A 53 -3.550 -1.406 -6.776 1.00 0.00 C ATOM 865 OG1 THR A 53 -3.074 -2.715 -7.037 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.097 -0.517 -7.914 1.00 0.00 C ATOM 0 H THR A 53 -4.115 -2.067 -3.980 1.00 0.00 H new ATOM 0 HA THR A 53 -2.023 -0.646 -5.456 1.00 0.00 H new ATOM 0 HB THR A 53 -4.639 -1.383 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.389 -3.008 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.467 -0.917 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.489 0.489 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.008 -0.482 -7.937 1.00 0.00 H new ATOM 874 N VAL A 54 -3.269 1.492 -5.222 1.00 0.00 N ATOM 875 CA VAL A 54 -3.928 2.758 -4.908 1.00 0.00 C ATOM 876 C VAL A 54 -4.003 3.646 -6.150 1.00 0.00 C ATOM 877 O VAL A 54 -2.984 3.937 -6.776 1.00 0.00 O ATOM 878 CB VAL A 54 -3.230 3.511 -3.739 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.507 4.773 -4.219 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.255 3.872 -2.670 1.00 0.00 C ATOM 0 H VAL A 54 -2.334 1.590 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.940 2.522 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.478 2.843 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.034 5.267 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.746 4.500 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.226 5.451 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.760 4.399 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.022 4.513 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.717 2.962 -2.287 1.00 0.00 H new ATOM 890 N THR A 55 -5.212 4.071 -6.503 1.00 0.00 N ATOM 891 CA THR A 55 -5.406 4.922 -7.673 1.00 0.00 C ATOM 892 C THR A 55 -5.683 6.365 -7.262 1.00 0.00 C ATOM 893 O THR A 55 -6.229 6.622 -6.190 1.00 0.00 O ATOM 894 CB THR A 55 -6.554 4.392 -8.538 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.951 3.101 -8.110 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.201 4.298 -10.006 1.00 0.00 C ATOM 0 H THR A 55 -6.069 3.842 -5.999 1.00 0.00 H new ATOM 0 HA THR A 55 -4.486 4.903 -8.257 1.00 0.00 H new ATOM 0 HB THR A 55 -7.362 5.114 -8.419 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.686 2.781 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.057 3.916 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.937 5.287 -10.381 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.355 3.623 -10.134 1.00 0.00 H new ATOM 904 N GLU A 56 -5.302 7.303 -8.123 1.00 0.00 N ATOM 905 CA GLU A 56 -5.511 8.721 -7.849 1.00 0.00 C ATOM 906 C GLU A 56 -6.998 9.058 -7.828 1.00 0.00 C ATOM 907 O GLU A 56 -7.332 10.262 -7.821 1.00 0.00 O ATOM 908 CB GLU A 56 -4.796 9.580 -8.895 1.00 0.00 C ATOM 909 CG GLU A 56 -5.016 9.108 -10.324 1.00 0.00 C ATOM 910 CD GLU A 56 -5.368 10.243 -11.266 1.00 0.00 C ATOM 911 OE1 GLU A 56 -5.097 11.411 -10.916 1.00 0.00 O ATOM 912 OE2 GLU A 56 -5.914 9.963 -12.354 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.817 8.115 -7.821 1.00 0.00 O ATOM 0 H GLU A 56 -4.848 7.108 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.093 8.938 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.141 10.610 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.727 9.582 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.114 8.611 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.816 8.367 -10.339 1.00 0.00 H new