USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl 152:sc= -0.0481 (180deg=0) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc=-0.000617 USER MOD Set 2.1: A 1 LEU N :NH3+ -109:sc= 0.852 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= 0.426 K(o=1.3,f=-6.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.8! C(o=-3.8!,f=-12!) USER MOD Single : A 5 LYS NZ :NH3+ -119:sc= -0.513 (180deg=-1.63) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0327 (180deg=-0.276) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= -0.088 (180deg=-0.0938) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= -1.7! (180deg=-1.83!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.05! C(o=-2!,f=-10!) USER MOD Single : A 46 SER OG : rot 140:sc= -0.031 USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.00124 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.47) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.79! USER MOD Single : A 60 ASN : amide:sc= -0.289! C(o=-0.29!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.691 12.124 -2.161 1.00 0.00 N ATOM 2 CA LEU A 1 5.637 11.135 -1.098 1.00 0.00 C ATOM 3 C LEU A 1 6.551 9.960 -1.452 1.00 0.00 C ATOM 4 O LEU A 1 6.707 9.622 -2.625 1.00 0.00 O ATOM 5 CB LEU A 1 4.189 10.726 -0.821 1.00 0.00 C ATOM 6 CG LEU A 1 3.604 11.189 0.515 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.308 11.973 0.303 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.411 10.008 1.468 1.00 0.00 C ATOM 0 H1 LEU A 1 6.204 12.965 -1.827 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.183 11.722 -2.984 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.724 12.394 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 1 6.009 11.558 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.563 11.116 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.125 9.639 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 1 4.317 11.867 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.913 12.290 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.510 12.850 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.577 11.338 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.994 10.365 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.728 9.286 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.373 9.530 1.655 1.00 0.00 H new ATOM 20 N LYS A 2 7.130 9.371 -0.417 1.00 0.00 N ATOM 21 CA LYS A 2 8.025 8.241 -0.604 1.00 0.00 C ATOM 22 C LYS A 2 7.312 6.955 -0.181 1.00 0.00 C ATOM 23 O LYS A 2 7.138 6.701 1.010 1.00 0.00 O ATOM 24 CB LYS A 2 9.348 8.479 0.126 1.00 0.00 C ATOM 25 CG LYS A 2 10.074 9.702 -0.439 1.00 0.00 C ATOM 26 CD LYS A 2 11.256 10.097 0.449 1.00 0.00 C ATOM 27 CE LYS A 2 12.586 9.829 -0.258 1.00 0.00 C ATOM 28 NZ LYS A 2 13.719 10.047 0.668 1.00 0.00 N ATOM 0 H LYS A 2 6.997 9.654 0.554 1.00 0.00 H new ATOM 0 HA LYS A 2 8.284 8.131 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.160 8.623 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.983 7.598 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.428 9.486 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.379 10.538 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.184 11.153 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.217 9.537 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.606 8.805 -0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.684 10.486 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.614 9.861 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.708 11.031 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.633 9.403 1.480 1.00 0.00 H new ATOM 42 N CYS A 3 6.918 6.178 -1.179 1.00 0.00 N ATOM 43 CA CYS A 3 6.228 4.925 -0.924 1.00 0.00 C ATOM 44 C CYS A 3 7.235 3.783 -1.074 1.00 0.00 C ATOM 45 O CYS A 3 8.152 3.863 -1.891 1.00 0.00 O ATOM 46 CB CYS A 3 5.021 4.748 -1.848 1.00 0.00 C ATOM 47 SG CYS A 3 3.984 6.241 -2.051 1.00 0.00 S ATOM 0 H CYS A 3 7.063 6.392 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 3 5.830 4.925 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.376 4.433 -2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.399 3.941 -1.460 1.00 0.00 H new ATOM 52 N ASN A 4 7.029 2.747 -0.275 1.00 0.00 N ATOM 53 CA ASN A 4 7.908 1.590 -0.308 1.00 0.00 C ATOM 54 C ASN A 4 7.249 0.478 -1.127 1.00 0.00 C ATOM 55 O ASN A 4 6.087 0.593 -1.513 1.00 0.00 O ATOM 56 CB ASN A 4 8.163 1.051 1.101 1.00 0.00 C ATOM 57 CG ASN A 4 8.350 2.195 2.100 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.395 3.362 1.746 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.456 1.797 3.364 1.00 0.00 N ATOM 0 H ASN A 4 6.266 2.684 0.399 1.00 0.00 H new ATOM 0 HA ASN A 4 8.854 1.898 -0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.326 0.425 1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.050 0.418 1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.583 2.485 4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.410 0.804 3.592 1.00 0.00 H new ATOM 66 N LYS A 5 8.019 -0.572 -1.368 1.00 0.00 N ATOM 67 CA LYS A 5 7.525 -1.704 -2.133 1.00 0.00 C ATOM 68 C LYS A 5 6.937 -2.743 -1.177 1.00 0.00 C ATOM 69 O LYS A 5 6.567 -2.416 -0.050 1.00 0.00 O ATOM 70 CB LYS A 5 8.624 -2.256 -3.042 1.00 0.00 C ATOM 71 CG LYS A 5 9.295 -1.133 -3.836 1.00 0.00 C ATOM 72 CD LYS A 5 10.804 -1.106 -3.580 1.00 0.00 C ATOM 73 CE LYS A 5 11.503 -0.127 -4.523 1.00 0.00 C ATOM 74 NZ LYS A 5 10.962 1.240 -4.344 1.00 0.00 N ATOM 0 H LYS A 5 8.983 -0.663 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 5 6.720 -1.392 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.370 -2.777 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.199 -2.988 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.106 -1.272 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.858 -0.174 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.996 -0.820 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.217 -2.105 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.576 -0.129 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.366 -0.447 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.540 1.566 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.235 1.231 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.731 1.884 -4.069 1.00 0.00 H new ATOM 88 N LEU A 6 6.869 -3.974 -1.663 1.00 0.00 N ATOM 89 CA LEU A 6 6.333 -5.064 -0.865 1.00 0.00 C ATOM 90 C LEU A 6 7.004 -5.063 0.510 1.00 0.00 C ATOM 91 O LEU A 6 6.355 -5.322 1.522 1.00 0.00 O ATOM 92 CB LEU A 6 6.465 -6.392 -1.613 1.00 0.00 C ATOM 93 CG LEU A 6 5.680 -7.570 -1.033 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.193 -7.461 -1.380 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.278 -8.904 -1.487 1.00 0.00 C ATOM 0 H LEU A 6 7.176 -4.241 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 6 5.265 -4.924 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.144 -6.239 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.520 -6.665 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 6 5.761 -7.534 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.657 -8.310 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.790 -6.536 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.071 -7.459 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.701 -9.725 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.247 -8.965 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.312 -8.973 -1.149 1.00 0.00 H new ATOM 107 N VAL A 7 8.296 -4.770 0.501 1.00 0.00 N ATOM 108 CA VAL A 7 9.062 -4.732 1.736 1.00 0.00 C ATOM 109 C VAL A 7 9.357 -3.276 2.104 1.00 0.00 C ATOM 110 O VAL A 7 9.771 -2.489 1.254 1.00 0.00 O ATOM 111 CB VAL A 7 10.328 -5.579 1.591 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.303 -5.308 2.739 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.984 -7.068 1.505 1.00 0.00 C ATOM 0 H VAL A 7 8.832 -4.557 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 7 8.488 -5.165 2.555 1.00 0.00 H new ATOM 0 HB VAL A 7 10.818 -5.293 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.194 -5.923 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.585 -4.255 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.825 -5.553 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.901 -7.648 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.461 -7.374 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.345 -7.244 0.640 1.00 0.00 H new ATOM 123 N PRO A 8 9.132 -2.962 3.371 1.00 0.00 N ATOM 124 CA PRO A 8 9.713 -1.721 3.973 1.00 0.00 C ATOM 125 C PRO A 8 11.269 -1.539 4.051 1.00 0.00 C ATOM 126 O PRO A 8 11.825 -1.376 5.136 1.00 0.00 O ATOM 127 CB PRO A 8 9.042 -1.683 5.366 1.00 0.00 C ATOM 128 CG PRO A 8 7.850 -2.637 5.281 1.00 0.00 C ATOM 129 CD PRO A 8 8.307 -3.729 4.316 1.00 0.00 C ATOM 0 HA PRO A 8 9.506 -0.884 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.738 -1.996 6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.717 -0.673 5.616 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.600 -3.049 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.959 -2.128 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.879 -4.508 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.467 -4.218 3.823 1.00 0.00 H new ATOM 137 N ILE A 9 11.896 -1.575 2.884 1.00 0.00 N ATOM 138 CA ILE A 9 13.338 -1.419 2.804 1.00 0.00 C ATOM 139 C ILE A 9 13.679 -0.431 1.688 1.00 0.00 C ATOM 140 O ILE A 9 14.522 0.448 1.867 1.00 0.00 O ATOM 141 CB ILE A 9 14.016 -2.782 2.648 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.516 -2.683 2.929 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.729 -3.382 1.270 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.207 -1.774 1.910 1.00 0.00 C ATOM 0 H ILE A 9 11.431 -1.710 1.986 1.00 0.00 H new ATOM 0 HA ILE A 9 13.728 -0.999 3.731 1.00 0.00 H new ATOM 0 HB ILE A 9 13.594 -3.461 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.676 -2.295 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.962 -3.677 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.222 -4.350 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.654 -3.510 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.106 -2.713 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.273 -1.721 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.066 -2.178 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.775 -0.774 1.963 1.00 0.00 H new ATOM 156 N ALA A 10 13.007 -0.607 0.559 1.00 0.00 N ATOM 157 CA ALA A 10 13.228 0.259 -0.587 1.00 0.00 C ATOM 158 C ALA A 10 11.941 1.025 -0.897 1.00 0.00 C ATOM 159 O ALA A 10 10.846 0.475 -0.791 1.00 0.00 O ATOM 160 CB ALA A 10 13.710 -0.578 -1.773 1.00 0.00 C ATOM 0 H ALA A 10 12.309 -1.337 0.414 1.00 0.00 H new ATOM 0 HA ALA A 10 14.004 0.993 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.876 0.071 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.642 -1.078 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.956 -1.324 -2.022 1.00 0.00 H new ATOM 166 N TYR A 11 12.116 2.283 -1.275 1.00 0.00 N ATOM 167 CA TYR A 11 10.981 3.131 -1.603 1.00 0.00 C ATOM 168 C TYR A 11 11.388 4.241 -2.574 1.00 0.00 C ATOM 169 O TYR A 11 12.550 4.641 -2.613 1.00 0.00 O ATOM 170 CB TYR A 11 10.533 3.763 -0.284 1.00 0.00 C ATOM 171 CG TYR A 11 11.672 4.384 0.528 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.379 3.612 1.427 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.991 5.717 0.361 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.451 4.198 2.190 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.062 6.302 1.124 1.00 0.00 C ATOM 176 CZ TYR A 11 13.740 5.513 2.001 1.00 0.00 C ATOM 177 OH TYR A 11 14.752 6.065 2.722 1.00 0.00 O ATOM 0 H TYR A 11 13.026 2.736 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 11 10.191 2.549 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.790 4.532 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.041 3.003 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.129 2.570 1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.437 6.321 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.013 3.606 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.322 7.343 1.003 1.00 0.00 H new ATOM 0 HH TYR A 11 14.846 7.011 2.483 1.00 0.00 H new ATOM 187 N LYS A 12 10.409 4.706 -3.334 1.00 0.00 N ATOM 188 CA LYS A 12 10.650 5.763 -4.303 1.00 0.00 C ATOM 189 C LYS A 12 9.594 6.856 -4.132 1.00 0.00 C ATOM 190 O LYS A 12 8.708 6.742 -3.287 1.00 0.00 O ATOM 191 CB LYS A 12 10.715 5.186 -5.719 1.00 0.00 C ATOM 192 CG LYS A 12 11.894 5.773 -6.496 1.00 0.00 C ATOM 193 CD LYS A 12 11.536 5.969 -7.971 1.00 0.00 C ATOM 194 CE LYS A 12 10.501 7.084 -8.140 1.00 0.00 C ATOM 195 NZ LYS A 12 11.172 8.392 -8.308 1.00 0.00 N ATOM 0 H LYS A 12 9.446 4.371 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 12 11.620 6.227 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.811 4.101 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.785 5.400 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.183 6.728 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.755 5.110 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.435 6.213 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.144 5.038 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.873 6.877 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.845 7.114 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.456 9.138 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.753 8.594 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.780 8.365 -9.152 1.00 0.00 H new ATOM 209 N THR A 13 9.724 7.892 -4.949 1.00 0.00 N ATOM 210 CA THR A 13 8.792 9.006 -4.898 1.00 0.00 C ATOM 211 C THR A 13 7.552 8.702 -5.743 1.00 0.00 C ATOM 212 O THR A 13 7.657 8.492 -6.951 1.00 0.00 O ATOM 213 CB THR A 13 9.538 10.266 -5.342 1.00 0.00 C ATOM 214 OG1 THR A 13 9.977 10.858 -4.124 1.00 0.00 O ATOM 215 CG2 THR A 13 8.603 11.314 -5.951 1.00 0.00 C ATOM 0 H THR A 13 10.460 7.983 -5.649 1.00 0.00 H new ATOM 0 HA THR A 13 8.424 9.169 -3.885 1.00 0.00 H new ATOM 0 HB THR A 13 10.305 9.997 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.472 11.681 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.182 12.188 -6.250 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.104 10.893 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.856 11.608 -5.213 1.00 0.00 H new ATOM 223 N CYS A 14 6.409 8.689 -5.074 1.00 0.00 N ATOM 224 CA CYS A 14 5.151 8.416 -5.748 1.00 0.00 C ATOM 225 C CYS A 14 4.813 9.613 -6.639 1.00 0.00 C ATOM 226 O CYS A 14 4.411 10.664 -6.145 1.00 0.00 O ATOM 227 CB CYS A 14 4.031 8.111 -4.752 1.00 0.00 C ATOM 228 SG CYS A 14 4.329 6.657 -3.683 1.00 0.00 S ATOM 0 H CYS A 14 6.327 8.863 -4.072 1.00 0.00 H new ATOM 0 HA CYS A 14 5.252 7.523 -6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.879 8.985 -4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.105 7.954 -5.305 1.00 0.00 H new ATOM 233 N PRO A 15 4.990 9.412 -7.937 1.00 0.00 N ATOM 234 CA PRO A 15 4.959 10.554 -8.905 1.00 0.00 C ATOM 235 C PRO A 15 3.673 11.440 -9.036 1.00 0.00 C ATOM 236 O PRO A 15 2.716 11.267 -8.283 1.00 0.00 O ATOM 237 CB PRO A 15 5.345 9.870 -10.236 1.00 0.00 C ATOM 238 CG PRO A 15 4.967 8.396 -10.074 1.00 0.00 C ATOM 239 CD PRO A 15 5.229 8.100 -8.599 1.00 0.00 C ATOM 0 HA PRO A 15 5.629 11.333 -8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.814 10.320 -11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.411 9.980 -10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.923 8.222 -10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.569 7.757 -10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.558 7.330 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.247 7.746 -8.435 1.00 0.00 H new ATOM 247 N GLU A 16 3.716 12.353 -9.995 1.00 0.00 N ATOM 248 CA GLU A 16 2.595 13.246 -10.231 1.00 0.00 C ATOM 249 C GLU A 16 1.314 12.439 -10.458 1.00 0.00 C ATOM 250 O GLU A 16 1.286 11.532 -11.289 1.00 0.00 O ATOM 251 CB GLU A 16 2.873 14.176 -11.413 1.00 0.00 C ATOM 252 CG GLU A 16 1.861 15.323 -11.459 1.00 0.00 C ATOM 253 CD GLU A 16 2.237 16.344 -12.534 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.447 15.904 -13.685 1.00 0.00 O ATOM 255 OE2 GLU A 16 2.307 17.540 -12.181 1.00 0.00 O ATOM 0 H GLU A 16 4.511 12.493 -10.618 1.00 0.00 H new ATOM 0 HA GLU A 16 2.459 13.868 -9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.882 14.580 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.829 13.610 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.866 14.927 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.817 15.813 -10.486 1.00 0.00 H new ATOM 262 N GLY A 17 0.285 12.798 -9.704 1.00 0.00 N ATOM 263 CA GLY A 17 -0.995 12.120 -9.812 1.00 0.00 C ATOM 264 C GLY A 17 -1.222 11.186 -8.622 1.00 0.00 C ATOM 265 O GLY A 17 -2.321 11.132 -8.072 1.00 0.00 O ATOM 0 H GLY A 17 0.312 13.550 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.798 12.856 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.031 11.549 -10.740 1.00 0.00 H new ATOM 269 N LYS A 18 -0.166 10.472 -8.261 1.00 0.00 N ATOM 270 CA LYS A 18 -0.237 9.542 -7.147 1.00 0.00 C ATOM 271 C LYS A 18 0.721 10.001 -6.045 1.00 0.00 C ATOM 272 O LYS A 18 1.919 9.732 -6.107 1.00 0.00 O ATOM 273 CB LYS A 18 0.017 8.112 -7.626 1.00 0.00 C ATOM 274 CG LYS A 18 -1.079 7.653 -8.590 1.00 0.00 C ATOM 275 CD LYS A 18 -0.480 6.931 -9.798 1.00 0.00 C ATOM 276 CE LYS A 18 -1.240 7.283 -11.079 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.985 8.689 -11.464 1.00 0.00 N ATOM 0 H LYS A 18 0.744 10.519 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.239 9.536 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.987 8.057 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.057 7.440 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.770 6.989 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.656 8.514 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.569 7.205 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.513 5.854 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.932 6.618 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.309 7.129 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.161 8.808 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.618 9.316 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.004 8.933 -11.253 1.00 0.00 H new ATOM 291 N ASN A 19 0.155 10.683 -5.060 1.00 0.00 N ATOM 292 CA ASN A 19 0.943 11.181 -3.946 1.00 0.00 C ATOM 293 C ASN A 19 0.491 10.490 -2.658 1.00 0.00 C ATOM 294 O ASN A 19 0.766 10.973 -1.560 1.00 0.00 O ATOM 295 CB ASN A 19 0.751 12.688 -3.765 1.00 0.00 C ATOM 296 CG ASN A 19 2.007 13.335 -3.178 1.00 0.00 C ATOM 297 OD1 ASN A 19 3.107 12.815 -3.273 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.784 14.495 -2.566 1.00 0.00 N ATOM 0 H ASN A 19 -0.840 10.902 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 19 1.992 10.974 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.517 13.146 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.099 12.873 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.559 15.004 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.838 14.875 -2.522 1.00 0.00 H new ATOM 305 N LEU A 20 -0.194 9.369 -2.835 1.00 0.00 N ATOM 306 CA LEU A 20 -0.686 8.606 -1.700 1.00 0.00 C ATOM 307 C LEU A 20 -0.133 7.182 -1.771 1.00 0.00 C ATOM 308 O LEU A 20 0.025 6.626 -2.856 1.00 0.00 O ATOM 309 CB LEU A 20 -2.214 8.670 -1.634 1.00 0.00 C ATOM 310 CG LEU A 20 -2.818 10.060 -1.427 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.327 10.045 -1.680 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.475 10.607 -0.040 1.00 0.00 C ATOM 0 H LEU A 20 -0.420 8.971 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.331 9.040 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.616 8.255 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.550 8.025 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.375 10.737 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.732 11.045 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.521 9.729 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.805 9.350 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.917 11.596 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.871 9.937 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.392 10.678 0.066 1.00 0.00 H new ATOM 324 N CYS A 21 0.147 6.631 -0.598 1.00 0.00 N ATOM 325 CA CYS A 21 0.679 5.282 -0.514 1.00 0.00 C ATOM 326 C CYS A 21 -0.342 4.408 0.217 1.00 0.00 C ATOM 327 O CYS A 21 -0.953 4.844 1.191 1.00 0.00 O ATOM 328 CB CYS A 21 2.047 5.255 0.172 1.00 0.00 C ATOM 329 SG CYS A 21 3.159 6.636 -0.281 1.00 0.00 S ATOM 0 H CYS A 21 0.015 7.095 0.301 1.00 0.00 H new ATOM 0 HA CYS A 21 0.841 4.889 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.897 5.267 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.541 4.314 -0.071 1.00 0.00 H new ATOM 334 N TYR A 22 -0.495 3.190 -0.282 1.00 0.00 N ATOM 335 CA TYR A 22 -1.432 2.250 0.311 1.00 0.00 C ATOM 336 C TYR A 22 -0.855 0.833 0.320 1.00 0.00 C ATOM 337 O TYR A 22 0.102 0.544 -0.396 1.00 0.00 O ATOM 338 CB TYR A 22 -2.676 2.277 -0.579 1.00 0.00 C ATOM 339 CG TYR A 22 -2.513 1.520 -1.898 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.433 0.142 -1.899 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.445 2.215 -3.089 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.280 -0.570 -3.141 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.293 1.502 -4.331 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.217 0.145 -4.296 1.00 0.00 C ATOM 345 OH TYR A 22 -2.073 -0.528 -5.468 1.00 0.00 O ATOM 0 H TYR A 22 0.014 2.832 -1.090 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.651 2.525 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.514 1.850 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.933 3.314 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.485 -0.402 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.506 3.293 -3.089 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.217 -1.648 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.241 2.034 -5.270 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.044 0.111 -6.211 1.00 0.00 H new ATOM 355 N LYS A 23 -1.463 -0.014 1.138 1.00 0.00 N ATOM 356 CA LYS A 23 -1.021 -1.394 1.249 1.00 0.00 C ATOM 357 C LYS A 23 -2.235 -2.294 1.489 1.00 0.00 C ATOM 358 O LYS A 23 -2.995 -2.081 2.433 1.00 0.00 O ATOM 359 CB LYS A 23 0.062 -1.526 2.322 1.00 0.00 C ATOM 360 CG LYS A 23 -0.415 -0.953 3.658 1.00 0.00 C ATOM 361 CD LYS A 23 0.230 0.406 3.935 1.00 0.00 C ATOM 362 CE LYS A 23 0.899 0.425 5.310 1.00 0.00 C ATOM 363 NZ LYS A 23 -0.108 0.255 6.380 1.00 0.00 N ATOM 0 H LYS A 23 -2.258 0.229 1.730 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.557 -1.721 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.329 -2.575 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.963 -1.004 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.500 -0.849 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.170 -1.646 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.969 0.626 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.527 1.189 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.641 -0.372 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.430 1.366 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.351 0.355 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.847 0.980 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.537 -0.689 6.306 1.00 0.00 H new ATOM 377 N MET A 24 -2.379 -3.282 0.618 1.00 0.00 N ATOM 378 CA MET A 24 -3.488 -4.216 0.722 1.00 0.00 C ATOM 379 C MET A 24 -3.093 -5.446 1.544 1.00 0.00 C ATOM 380 O MET A 24 -2.057 -6.059 1.290 1.00 0.00 O ATOM 381 CB MET A 24 -3.921 -4.654 -0.678 1.00 0.00 C ATOM 382 CG MET A 24 -4.909 -3.656 -1.284 1.00 0.00 C ATOM 383 SD MET A 24 -4.345 -3.143 -2.899 1.00 0.00 S ATOM 384 CE MET A 24 -5.072 -4.427 -3.903 1.00 0.00 C ATOM 0 H MET A 24 -1.746 -3.456 -0.163 1.00 0.00 H new ATOM 0 HA MET A 24 -4.314 -3.715 1.226 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.046 -4.742 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.380 -5.641 -0.628 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.896 -4.111 -1.362 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.008 -2.788 -0.632 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.262 -4.042 -4.905 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.387 -5.273 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.011 -4.751 -3.455 1.00 0.00 H new ATOM 394 N PHE A 25 -3.940 -5.769 2.510 1.00 0.00 N ATOM 395 CA PHE A 25 -3.692 -6.914 3.369 1.00 0.00 C ATOM 396 C PHE A 25 -4.766 -7.987 3.176 1.00 0.00 C ATOM 397 O PHE A 25 -5.945 -7.743 3.427 1.00 0.00 O ATOM 398 CB PHE A 25 -3.746 -6.410 4.813 1.00 0.00 C ATOM 399 CG PHE A 25 -2.653 -5.398 5.160 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.868 -4.070 4.958 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.467 -5.825 5.670 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.853 -3.130 5.280 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.453 -4.885 5.992 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.667 -3.558 5.790 1.00 0.00 C ATOM 0 H PHE A 25 -4.798 -5.258 2.717 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.726 -7.357 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.720 -5.953 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.665 -7.262 5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.810 -3.731 4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.296 -6.879 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.023 -2.076 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.489 -5.224 6.398 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.105 -2.843 6.035 1.00 0.00 H new ATOM 414 N MET A 26 -4.319 -9.152 2.730 1.00 0.00 N ATOM 415 CA MET A 26 -5.227 -10.263 2.500 1.00 0.00 C ATOM 416 C MET A 26 -5.440 -11.071 3.781 1.00 0.00 C ATOM 417 O MET A 26 -4.601 -11.049 4.681 1.00 0.00 O ATOM 418 CB MET A 26 -4.655 -11.173 1.411 1.00 0.00 C ATOM 419 CG MET A 26 -5.744 -11.600 0.425 1.00 0.00 C ATOM 420 SD MET A 26 -6.076 -13.344 0.600 1.00 0.00 S ATOM 421 CE MET A 26 -4.730 -14.015 -0.362 1.00 0.00 C ATOM 0 H MET A 26 -3.340 -9.351 2.522 1.00 0.00 H new ATOM 0 HA MET A 26 -6.189 -9.862 2.182 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.860 -10.652 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.207 -12.055 1.868 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.654 -11.028 0.606 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.428 -11.382 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.787 -15.104 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.799 -13.652 -1.387 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.781 -13.700 0.071 1.00 0.00 H new ATOM 431 N MET A 27 -6.567 -11.766 3.823 1.00 0.00 N ATOM 432 CA MET A 27 -6.901 -12.581 4.981 1.00 0.00 C ATOM 433 C MET A 27 -6.928 -11.737 6.255 1.00 0.00 C ATOM 434 O MET A 27 -7.998 -11.367 6.737 1.00 0.00 O ATOM 435 CB MET A 27 -5.870 -13.701 5.131 1.00 0.00 C ATOM 436 CG MET A 27 -5.969 -14.697 3.974 1.00 0.00 C ATOM 437 SD MET A 27 -4.404 -15.526 3.746 1.00 0.00 S ATOM 438 CE MET A 27 -4.669 -16.971 4.760 1.00 0.00 C ATOM 0 H MET A 27 -7.260 -11.782 3.075 1.00 0.00 H new ATOM 0 HA MET A 27 -7.893 -13.007 4.829 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.867 -13.275 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.027 -14.220 6.077 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.751 -15.428 4.179 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.251 -14.177 3.059 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.782 -17.604 4.731 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.862 -16.664 5.788 1.00 0.00 H new ATOM 0 HE3 MET A 27 -5.525 -17.529 4.381 1.00 0.00 H new ATOM 448 N SER A 28 -5.739 -11.456 6.767 1.00 0.00 N ATOM 449 CA SER A 28 -5.612 -10.663 7.978 1.00 0.00 C ATOM 450 C SER A 28 -4.462 -9.665 7.832 1.00 0.00 C ATOM 451 O SER A 28 -3.437 -9.979 7.230 1.00 0.00 O ATOM 452 CB SER A 28 -5.390 -11.555 9.200 1.00 0.00 C ATOM 453 OG SER A 28 -6.589 -12.208 9.610 1.00 0.00 O ATOM 0 H SER A 28 -4.854 -11.764 6.365 1.00 0.00 H new ATOM 0 HA SER A 28 -6.542 -10.115 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.631 -12.302 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.006 -10.953 10.023 1.00 0.00 H new ATOM 0 HG SER A 28 -6.405 -12.769 10.392 1.00 0.00 H new ATOM 459 N ASP A 29 -4.671 -8.484 8.394 1.00 0.00 N ATOM 460 CA ASP A 29 -3.663 -7.439 8.334 1.00 0.00 C ATOM 461 C ASP A 29 -2.728 -7.568 9.538 1.00 0.00 C ATOM 462 O ASP A 29 -1.589 -7.105 9.497 1.00 0.00 O ATOM 463 CB ASP A 29 -4.305 -6.051 8.382 1.00 0.00 C ATOM 464 CG ASP A 29 -5.640 -5.981 9.126 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.568 -6.700 8.697 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.703 -5.211 10.109 1.00 0.00 O ATOM 0 H ASP A 29 -5.523 -8.227 8.893 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.116 -7.552 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.606 -5.360 8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.457 -5.702 7.361 1.00 0.00 H new ATOM 471 N LEU A 30 -3.243 -8.200 10.582 1.00 0.00 N ATOM 472 CA LEU A 30 -2.469 -8.396 11.796 1.00 0.00 C ATOM 473 C LEU A 30 -1.046 -8.822 11.424 1.00 0.00 C ATOM 474 O LEU A 30 -0.104 -8.567 12.172 1.00 0.00 O ATOM 475 CB LEU A 30 -3.178 -9.376 12.733 1.00 0.00 C ATOM 476 CG LEU A 30 -4.462 -8.865 13.390 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.293 -10.023 13.946 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.148 -7.817 14.462 1.00 0.00 C ATOM 0 H LEU A 30 -4.188 -8.583 10.612 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.389 -7.462 12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.416 -10.279 12.170 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.481 -9.665 13.520 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.066 -8.375 12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.200 -9.632 14.407 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.562 -10.700 13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.711 -10.563 14.692 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.077 -7.469 14.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.514 -8.261 15.230 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.629 -6.974 14.006 1.00 0.00 H new ATOM 490 N THR A 31 -0.937 -9.463 10.271 1.00 0.00 N ATOM 491 CA THR A 31 0.354 -9.926 9.790 1.00 0.00 C ATOM 492 C THR A 31 0.831 -9.060 8.623 1.00 0.00 C ATOM 493 O THR A 31 0.122 -8.153 8.187 1.00 0.00 O ATOM 494 CB THR A 31 0.222 -11.408 9.433 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.706 -11.423 8.353 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.473 -12.215 10.532 1.00 0.00 C ATOM 0 H THR A 31 -1.722 -9.673 9.655 1.00 0.00 H new ATOM 0 HA THR A 31 1.120 -9.829 10.559 1.00 0.00 H new ATOM 0 HB THR A 31 1.211 -11.826 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.849 -12.346 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.541 -13.260 10.228 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.101 -12.142 11.455 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.475 -11.819 10.696 1.00 0.00 H new ATOM 504 N ILE A 32 2.029 -9.369 8.149 1.00 0.00 N ATOM 505 CA ILE A 32 2.609 -8.632 7.040 1.00 0.00 C ATOM 506 C ILE A 32 1.638 -8.648 5.858 1.00 0.00 C ATOM 507 O ILE A 32 0.884 -9.604 5.683 1.00 0.00 O ATOM 508 CB ILE A 32 3.998 -9.176 6.702 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.094 -8.237 7.211 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.129 -9.450 5.203 1.00 0.00 C ATOM 511 CD1 ILE A 32 6.141 -9.005 8.021 1.00 0.00 C ATOM 0 H ILE A 32 2.614 -10.121 8.513 1.00 0.00 H new ATOM 0 HA ILE A 32 2.760 -7.588 7.315 1.00 0.00 H new ATOM 0 HB ILE A 32 4.126 -10.129 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.574 -7.741 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.651 -7.457 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.126 -9.836 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.383 -10.185 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.972 -8.525 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.908 -8.315 8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.662 -9.480 8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.599 -9.768 7.392 1.00 0.00 H new ATOM 523 N PRO A 33 1.687 -7.578 5.078 1.00 0.00 N ATOM 524 CA PRO A 33 0.786 -7.448 3.888 1.00 0.00 C ATOM 525 C PRO A 33 0.930 -8.437 2.681 1.00 0.00 C ATOM 526 O PRO A 33 1.680 -9.409 2.756 1.00 0.00 O ATOM 527 CB PRO A 33 0.995 -5.974 3.475 1.00 0.00 C ATOM 528 CG PRO A 33 2.397 -5.598 3.957 1.00 0.00 C ATOM 529 CD PRO A 33 2.586 -6.410 5.237 1.00 0.00 C ATOM 0 HA PRO A 33 -0.223 -7.736 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.908 -5.855 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.241 -5.331 3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.154 -5.847 3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.478 -4.528 4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.623 -6.722 5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.324 -5.826 6.119 1.00 0.00 H new ATOM 537 N VAL A 34 0.196 -8.137 1.620 1.00 0.00 N ATOM 538 CA VAL A 34 0.229 -8.965 0.427 1.00 0.00 C ATOM 539 C VAL A 34 0.712 -8.127 -0.758 1.00 0.00 C ATOM 540 O VAL A 34 1.547 -8.578 -1.542 1.00 0.00 O ATOM 541 CB VAL A 34 -1.144 -9.599 0.191 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.376 -10.774 1.141 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.257 -8.557 0.324 1.00 0.00 C ATOM 0 H VAL A 34 -0.426 -7.331 1.562 1.00 0.00 H new ATOM 0 HA VAL A 34 0.934 -9.787 0.553 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.165 -9.985 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.359 -11.206 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.609 -11.531 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.326 -10.424 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.223 -9.032 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.237 -8.129 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.105 -7.767 -0.411 1.00 0.00 H new ATOM 553 N LYS A 35 0.169 -6.923 -0.851 1.00 0.00 N ATOM 554 CA LYS A 35 0.534 -6.018 -1.927 1.00 0.00 C ATOM 555 C LYS A 35 0.418 -4.573 -1.435 1.00 0.00 C ATOM 556 O LYS A 35 -0.237 -4.308 -0.427 1.00 0.00 O ATOM 557 CB LYS A 35 -0.297 -6.310 -3.179 1.00 0.00 C ATOM 558 CG LYS A 35 0.413 -7.319 -4.085 1.00 0.00 C ATOM 559 CD LYS A 35 -0.568 -8.365 -4.614 1.00 0.00 C ATOM 560 CE LYS A 35 -0.568 -9.614 -3.731 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.855 -9.740 -3.010 1.00 0.00 N ATOM 0 H LYS A 35 -0.522 -6.553 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 35 1.573 -6.173 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.273 -6.700 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.473 -5.384 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.880 -6.797 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.212 -7.812 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.572 -7.941 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.299 -8.637 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.400 -10.500 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.253 -9.561 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.878 -10.643 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.953 -8.955 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.639 -9.710 -3.692 1.00 0.00 H new ATOM 575 N ARG A 36 1.062 -3.678 -2.168 1.00 0.00 N ATOM 576 CA ARG A 36 1.039 -2.268 -1.820 1.00 0.00 C ATOM 577 C ARG A 36 1.555 -1.424 -2.986 1.00 0.00 C ATOM 578 O ARG A 36 2.189 -1.946 -3.903 1.00 0.00 O ATOM 579 CB ARG A 36 1.895 -1.993 -0.581 1.00 0.00 C ATOM 580 CG ARG A 36 3.317 -2.524 -0.769 1.00 0.00 C ATOM 581 CD ARG A 36 4.131 -1.603 -1.681 1.00 0.00 C ATOM 582 NE ARG A 36 4.463 -2.304 -2.941 1.00 0.00 N ATOM 583 CZ ARG A 36 4.761 -1.682 -4.090 1.00 0.00 C ATOM 584 NH1 ARG A 36 4.767 -0.343 -4.145 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.050 -2.399 -5.185 1.00 0.00 N ATOM 0 H ARG A 36 1.604 -3.902 -3.003 1.00 0.00 H new ATOM 0 HA ARG A 36 0.006 -1.997 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.926 -0.921 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.440 -2.462 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.808 -2.609 0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.281 -3.526 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.564 -0.698 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.046 -1.293 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 36 4.465 -3.324 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.545 0.203 -3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.994 0.130 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.043 -3.418 -5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.277 -1.925 -6.059 1.00 0.00 H new ATOM 599 N GLY A 37 1.267 -0.133 -2.915 1.00 0.00 N ATOM 600 CA GLY A 37 1.694 0.789 -3.953 1.00 0.00 C ATOM 601 C GLY A 37 1.156 2.197 -3.692 1.00 0.00 C ATOM 602 O GLY A 37 0.587 2.462 -2.635 1.00 0.00 O ATOM 0 H GLY A 37 0.742 0.297 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.783 0.814 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.345 0.437 -4.923 1.00 0.00 H new ATOM 606 N CYS A 38 1.356 3.063 -4.674 1.00 0.00 N ATOM 607 CA CYS A 38 0.898 4.438 -4.565 1.00 0.00 C ATOM 608 C CYS A 38 -0.477 4.541 -5.229 1.00 0.00 C ATOM 609 O CYS A 38 -0.886 3.639 -5.958 1.00 0.00 O ATOM 610 CB CYS A 38 1.901 5.420 -5.173 1.00 0.00 C ATOM 611 SG CYS A 38 3.656 5.039 -4.823 1.00 0.00 S ATOM 0 H CYS A 38 1.829 2.839 -5.549 1.00 0.00 H new ATOM 0 HA CYS A 38 0.814 4.713 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.757 5.442 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.680 6.420 -4.801 1.00 0.00 H new ATOM 616 N ILE A 39 -1.150 5.648 -4.954 1.00 0.00 N ATOM 617 CA ILE A 39 -2.470 5.880 -5.517 1.00 0.00 C ATOM 618 C ILE A 39 -2.845 7.352 -5.336 1.00 0.00 C ATOM 619 O ILE A 39 -2.120 8.106 -4.689 1.00 0.00 O ATOM 620 CB ILE A 39 -3.487 4.907 -4.917 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.735 4.808 -5.797 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.829 5.291 -3.477 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.216 3.360 -5.906 1.00 0.00 C ATOM 0 H ILE A 39 -0.807 6.394 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.468 5.681 -6.589 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.035 3.915 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.529 5.428 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.515 5.198 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.554 4.584 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.924 5.269 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.253 6.295 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.104 3.318 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.429 2.747 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.458 2.981 -4.913 1.00 0.00 H new ATOM 635 N ASP A 40 -3.978 7.718 -5.917 1.00 0.00 N ATOM 636 CA ASP A 40 -4.459 9.086 -5.827 1.00 0.00 C ATOM 637 C ASP A 40 -5.738 9.119 -4.988 1.00 0.00 C ATOM 638 O ASP A 40 -6.009 10.101 -4.301 1.00 0.00 O ATOM 639 CB ASP A 40 -4.786 9.647 -7.212 1.00 0.00 C ATOM 640 CG ASP A 40 -5.288 11.092 -7.223 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.658 11.916 -6.525 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.289 11.341 -7.927 1.00 0.00 O ATOM 0 H ASP A 40 -4.577 7.090 -6.452 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.675 9.690 -5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.892 9.584 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.541 9.012 -7.675 1.00 0.00 H new ATOM 647 N VAL A 41 -6.491 8.032 -5.073 1.00 0.00 N ATOM 648 CA VAL A 41 -7.735 7.923 -4.331 1.00 0.00 C ATOM 649 C VAL A 41 -7.866 6.506 -3.768 1.00 0.00 C ATOM 650 O VAL A 41 -7.745 5.528 -4.504 1.00 0.00 O ATOM 651 CB VAL A 41 -8.912 8.323 -5.222 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.246 8.046 -4.526 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.807 9.791 -5.642 1.00 0.00 C ATOM 0 H VAL A 41 -6.263 7.219 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.736 8.610 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.872 7.712 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.066 8.339 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.325 6.983 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.299 8.618 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.656 10.050 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.809 10.424 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.881 9.946 -6.196 1.00 0.00 H new ATOM 663 N CYS A 42 -8.112 6.441 -2.468 1.00 0.00 N ATOM 664 CA CYS A 42 -8.261 5.161 -1.798 1.00 0.00 C ATOM 665 C CYS A 42 -9.504 4.467 -2.359 1.00 0.00 C ATOM 666 O CYS A 42 -10.613 4.986 -2.248 1.00 0.00 O ATOM 667 CB CYS A 42 -8.336 5.322 -0.278 1.00 0.00 C ATOM 668 SG CYS A 42 -7.914 3.818 0.676 1.00 0.00 S ATOM 0 H CYS A 42 -8.212 7.254 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.383 4.544 -1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.663 6.126 0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.345 5.634 -0.009 1.00 0.00 H new ATOM 673 N PRO A 43 -9.276 3.302 -2.950 1.00 0.00 N ATOM 674 CA PRO A 43 -10.399 2.359 -3.253 1.00 0.00 C ATOM 675 C PRO A 43 -11.254 1.753 -2.088 1.00 0.00 C ATOM 676 O PRO A 43 -10.895 1.881 -0.919 1.00 0.00 O ATOM 677 CB PRO A 43 -9.698 1.273 -4.101 1.00 0.00 C ATOM 678 CG PRO A 43 -8.362 1.879 -4.536 1.00 0.00 C ATOM 679 CD PRO A 43 -7.970 2.797 -3.380 1.00 0.00 C ATOM 0 HA PRO A 43 -11.200 2.918 -3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.544 0.363 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.304 1.001 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.611 1.107 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.462 2.434 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.457 2.257 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.306 3.599 -3.701 1.00 0.00 H new ATOM 687 N LYS A 44 -12.353 1.118 -2.471 1.00 0.00 N ATOM 688 CA LYS A 44 -13.242 0.507 -1.497 1.00 0.00 C ATOM 689 C LYS A 44 -12.599 -0.773 -0.959 1.00 0.00 C ATOM 690 O LYS A 44 -12.232 -1.659 -1.730 1.00 0.00 O ATOM 691 CB LYS A 44 -14.631 0.291 -2.101 1.00 0.00 C ATOM 692 CG LYS A 44 -15.136 1.563 -2.785 1.00 0.00 C ATOM 693 CD LYS A 44 -15.943 1.228 -4.040 1.00 0.00 C ATOM 694 CE LYS A 44 -15.019 0.977 -5.234 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.811 0.676 -6.448 1.00 0.00 N ATOM 0 H LYS A 44 -12.648 1.014 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.390 1.172 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.594 -0.524 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.329 -0.007 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.755 2.132 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.290 2.197 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.556 0.345 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.624 2.048 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.394 1.853 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.349 0.146 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.169 0.508 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.389 -0.173 -6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.433 1.481 -6.665 1.00 0.00 H new ATOM 709 N ASN A 45 -12.482 -0.829 0.359 1.00 0.00 N ATOM 710 CA ASN A 45 -11.889 -1.986 1.010 1.00 0.00 C ATOM 711 C ASN A 45 -12.895 -3.140 1.001 1.00 0.00 C ATOM 712 O ASN A 45 -14.079 -2.934 0.741 1.00 0.00 O ATOM 713 CB ASN A 45 -11.534 -1.678 2.465 1.00 0.00 C ATOM 714 CG ASN A 45 -10.899 -2.893 3.143 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.188 -3.676 2.534 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.193 -3.008 4.435 1.00 0.00 N ATOM 0 H ASN A 45 -12.788 -0.092 0.995 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.982 -2.251 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.845 -0.834 2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.432 -1.382 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.817 -3.786 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.795 -2.318 4.885 1.00 0.00 H new ATOM 723 N SER A 46 -12.385 -4.329 1.292 1.00 0.00 N ATOM 724 CA SER A 46 -13.223 -5.515 1.321 1.00 0.00 C ATOM 725 C SER A 46 -13.128 -6.187 2.693 1.00 0.00 C ATOM 726 O SER A 46 -12.607 -5.602 3.640 1.00 0.00 O ATOM 727 CB SER A 46 -12.825 -6.498 0.219 1.00 0.00 C ATOM 728 OG SER A 46 -11.822 -7.411 0.656 1.00 0.00 O ATOM 0 H SER A 46 -11.402 -4.495 1.509 1.00 0.00 H new ATOM 0 HA SER A 46 -14.254 -5.211 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.704 -7.054 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.460 -5.945 -0.646 1.00 0.00 H new ATOM 0 HG SER A 46 -12.017 -8.304 0.303 1.00 0.00 H new ATOM 734 N LEU A 47 -13.641 -7.409 2.754 1.00 0.00 N ATOM 735 CA LEU A 47 -13.621 -8.166 3.993 1.00 0.00 C ATOM 736 C LEU A 47 -12.473 -9.177 3.948 1.00 0.00 C ATOM 737 O LEU A 47 -11.828 -9.434 4.963 1.00 0.00 O ATOM 738 CB LEU A 47 -14.989 -8.800 4.256 1.00 0.00 C ATOM 739 CG LEU A 47 -14.975 -10.165 4.945 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.774 -10.016 6.455 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.238 -10.961 4.610 1.00 0.00 C ATOM 0 H LEU A 47 -14.072 -7.892 1.966 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.433 -7.506 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.574 -8.113 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.509 -8.901 3.304 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.126 -10.732 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.768 -11.002 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.824 -9.518 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.587 -9.422 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.203 -11.928 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.116 -10.409 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.296 -11.114 3.532 1.00 0.00 H new ATOM 753 N LEU A 48 -12.256 -9.725 2.761 1.00 0.00 N ATOM 754 CA LEU A 48 -11.197 -10.703 2.571 1.00 0.00 C ATOM 755 C LEU A 48 -9.854 -9.979 2.457 1.00 0.00 C ATOM 756 O LEU A 48 -8.802 -10.615 2.437 1.00 0.00 O ATOM 757 CB LEU A 48 -11.512 -11.607 1.377 1.00 0.00 C ATOM 758 CG LEU A 48 -12.197 -12.935 1.704 1.00 0.00 C ATOM 759 CD1 LEU A 48 -11.298 -13.817 2.573 1.00 0.00 C ATOM 760 CD2 LEU A 48 -13.565 -12.703 2.348 1.00 0.00 C ATOM 0 H LEU A 48 -12.795 -9.511 1.922 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.130 -11.365 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.147 -11.054 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.581 -11.821 0.853 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.367 -13.470 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.809 -14.755 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.369 -14.025 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.074 -13.301 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.030 -13.663 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.441 -12.137 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.200 -12.143 1.662 1.00 0.00 H new ATOM 772 N VAL A 49 -9.934 -8.658 2.386 1.00 0.00 N ATOM 773 CA VAL A 49 -8.738 -7.841 2.274 1.00 0.00 C ATOM 774 C VAL A 49 -8.922 -6.562 3.095 1.00 0.00 C ATOM 775 O VAL A 49 -10.042 -6.209 3.459 1.00 0.00 O ATOM 776 CB VAL A 49 -8.426 -7.567 0.802 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.942 -7.252 0.605 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.859 -8.743 -0.077 1.00 0.00 C ATOM 0 H VAL A 49 -10.809 -8.134 2.404 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.875 -8.368 2.681 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.997 -6.691 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.748 -7.061 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.677 -6.370 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.343 -8.100 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.626 -8.523 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.327 -9.643 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.932 -8.901 0.030 1.00 0.00 H new ATOM 788 N LYS A 50 -7.804 -5.902 3.360 1.00 0.00 N ATOM 789 CA LYS A 50 -7.827 -4.671 4.130 1.00 0.00 C ATOM 790 C LYS A 50 -6.972 -3.616 3.423 1.00 0.00 C ATOM 791 O LYS A 50 -5.790 -3.839 3.169 1.00 0.00 O ATOM 792 CB LYS A 50 -7.404 -4.935 5.577 1.00 0.00 C ATOM 793 CG LYS A 50 -7.975 -3.871 6.518 1.00 0.00 C ATOM 794 CD LYS A 50 -6.863 -3.201 7.326 1.00 0.00 C ATOM 795 CE LYS A 50 -7.429 -2.109 8.236 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.618 -1.987 9.467 1.00 0.00 N ATOM 0 H LYS A 50 -6.877 -6.197 3.055 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.841 -4.276 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.749 -5.922 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.316 -4.941 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.513 -3.120 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.696 -4.328 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.345 -3.948 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.126 -2.769 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.442 -1.157 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.461 -2.343 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.187 -1.542 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.315 -2.932 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.781 -1.401 9.274 1.00 0.00 H new ATOM 810 N TYR A 51 -7.605 -2.491 3.126 1.00 0.00 N ATOM 811 CA TYR A 51 -6.918 -1.401 2.453 1.00 0.00 C ATOM 812 C TYR A 51 -6.477 -0.331 3.453 1.00 0.00 C ATOM 813 O TYR A 51 -7.303 0.235 4.167 1.00 0.00 O ATOM 814 CB TYR A 51 -7.938 -0.792 1.488 1.00 0.00 C ATOM 815 CG TYR A 51 -8.002 -1.491 0.128 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.127 -2.864 0.064 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.938 -0.749 -1.033 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.188 -3.522 -1.215 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.000 -1.407 -2.312 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.122 -2.761 -2.341 1.00 0.00 C ATOM 821 OH TYR A 51 -8.180 -3.383 -3.549 1.00 0.00 O ATOM 0 H TYR A 51 -8.586 -2.310 3.339 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.026 -1.765 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.925 -0.826 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.694 0.259 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.179 -3.445 0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.841 0.325 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.284 -4.596 -1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.951 -0.838 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.123 -2.715 -4.264 1.00 0.00 H new ATOM 831 N VAL A 52 -5.175 -0.085 3.471 1.00 0.00 N ATOM 832 CA VAL A 52 -4.614 0.908 4.372 1.00 0.00 C ATOM 833 C VAL A 52 -3.924 2.001 3.552 1.00 0.00 C ATOM 834 O VAL A 52 -2.784 1.832 3.122 1.00 0.00 O ATOM 835 CB VAL A 52 -3.680 0.233 5.377 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.453 1.126 6.599 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.217 -1.138 5.792 1.00 0.00 C ATOM 0 H VAL A 52 -4.493 -0.556 2.877 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.402 1.387 4.953 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.717 0.081 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.785 0.623 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.005 2.068 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.407 1.324 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.533 -1.595 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.198 -1.020 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.303 -1.776 4.913 1.00 0.00 H new ATOM 847 N CYS A 53 -4.642 3.097 3.363 1.00 0.00 N ATOM 848 CA CYS A 53 -4.113 4.218 2.604 1.00 0.00 C ATOM 849 C CYS A 53 -3.486 5.210 3.585 1.00 0.00 C ATOM 850 O CYS A 53 -3.923 5.316 4.730 1.00 0.00 O ATOM 851 CB CYS A 53 -5.190 4.874 1.738 1.00 0.00 C ATOM 852 SG CYS A 53 -5.831 3.824 0.383 1.00 0.00 S ATOM 0 H CYS A 53 -5.587 3.234 3.722 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.350 3.863 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.023 5.166 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.783 5.789 1.308 1.00 0.00 H new ATOM 857 N CYS A 54 -2.474 5.912 3.101 1.00 0.00 N ATOM 858 CA CYS A 54 -1.783 6.894 3.921 1.00 0.00 C ATOM 859 C CYS A 54 -1.148 7.933 2.995 1.00 0.00 C ATOM 860 O CYS A 54 -1.136 7.760 1.777 1.00 0.00 O ATOM 861 CB CYS A 54 -0.747 6.237 4.835 1.00 0.00 C ATOM 862 SG CYS A 54 -0.169 4.591 4.283 1.00 0.00 S ATOM 0 H CYS A 54 -2.115 5.821 2.151 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.496 7.386 4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.115 6.899 4.919 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.173 6.141 5.833 1.00 0.00 H new ATOM 867 N ASN A 55 -0.638 8.991 3.608 1.00 0.00 N ATOM 868 CA ASN A 55 -0.004 10.058 2.853 1.00 0.00 C ATOM 869 C ASN A 55 1.320 10.434 3.522 1.00 0.00 C ATOM 870 O ASN A 55 1.805 11.553 3.364 1.00 0.00 O ATOM 871 CB ASN A 55 -0.886 11.308 2.819 1.00 0.00 C ATOM 872 CG ASN A 55 -0.882 12.020 4.173 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.275 13.063 4.353 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.589 11.401 5.113 1.00 0.00 N ATOM 0 H ASN A 55 -0.651 9.132 4.618 1.00 0.00 H new ATOM 0 HA ASN A 55 0.157 9.701 1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.529 11.988 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.906 11.030 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.647 11.797 6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.074 10.530 4.896 1.00 0.00 H new ATOM 881 N THR A 56 1.867 9.475 4.256 1.00 0.00 N ATOM 882 CA THR A 56 3.126 9.691 4.950 1.00 0.00 C ATOM 883 C THR A 56 4.255 8.927 4.255 1.00 0.00 C ATOM 884 O THR A 56 4.072 7.785 3.838 1.00 0.00 O ATOM 885 CB THR A 56 2.933 9.292 6.414 1.00 0.00 C ATOM 886 OG1 THR A 56 2.218 8.060 6.347 1.00 0.00 O ATOM 887 CG2 THR A 56 1.983 10.233 7.158 1.00 0.00 C ATOM 0 H THR A 56 1.462 8.548 4.385 1.00 0.00 H new ATOM 0 HA THR A 56 3.420 10.740 4.921 1.00 0.00 H new ATOM 0 HB THR A 56 3.900 9.280 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.052 7.729 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.881 9.904 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.384 11.246 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.006 10.220 6.675 1.00 0.00 H new ATOM 895 N ASP A 57 5.399 9.590 4.153 1.00 0.00 N ATOM 896 CA ASP A 57 6.557 8.988 3.516 1.00 0.00 C ATOM 897 C ASP A 57 6.987 7.753 4.311 1.00 0.00 C ATOM 898 O ASP A 57 7.308 7.853 5.495 1.00 0.00 O ATOM 899 CB ASP A 57 7.736 9.962 3.483 1.00 0.00 C ATOM 900 CG ASP A 57 7.400 11.367 2.976 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.058 11.470 1.778 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.494 12.303 3.798 1.00 0.00 O ATOM 0 H ASP A 57 5.547 10.537 4.501 1.00 0.00 H new ATOM 0 HA ASP A 57 6.280 8.722 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.149 10.044 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.518 9.541 2.851 1.00 0.00 H new ATOM 907 N ARG A 58 6.979 6.616 3.629 1.00 0.00 N ATOM 908 CA ARG A 58 7.364 5.365 4.258 1.00 0.00 C ATOM 909 C ARG A 58 6.261 4.883 5.202 1.00 0.00 C ATOM 910 O ARG A 58 6.544 4.321 6.258 1.00 0.00 O ATOM 911 CB ARG A 58 8.667 5.520 5.044 1.00 0.00 C ATOM 912 CG ARG A 58 9.631 6.466 4.325 1.00 0.00 C ATOM 913 CD ARG A 58 11.068 6.255 4.808 1.00 0.00 C ATOM 914 NE ARG A 58 11.462 7.352 5.719 1.00 0.00 N ATOM 915 CZ ARG A 58 11.937 8.535 5.309 1.00 0.00 C ATOM 916 NH1 ARG A 58 12.080 8.783 4.000 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.270 9.472 6.208 1.00 0.00 N ATOM 0 H ARG A 58 6.712 6.536 2.648 1.00 0.00 H new ATOM 0 HA ARG A 58 7.516 4.631 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.451 5.904 6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.137 4.545 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.577 6.298 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.332 7.499 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.151 5.297 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.745 6.219 3.955 1.00 0.00 H new ATOM 0 HE ARG A 58 11.366 7.198 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.827 8.071 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.442 9.684 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.162 9.284 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.632 10.373 5.895 1.00 0.00 H new ATOM 931 N CYS A 59 5.025 5.122 4.786 1.00 0.00 N ATOM 932 CA CYS A 59 3.878 4.719 5.582 1.00 0.00 C ATOM 933 C CYS A 59 3.689 3.210 5.424 1.00 0.00 C ATOM 934 O CYS A 59 3.250 2.534 6.354 1.00 0.00 O ATOM 935 CB CYS A 59 2.619 5.496 5.193 1.00 0.00 C ATOM 936 SG CYS A 59 1.736 4.842 3.729 1.00 0.00 S ATOM 0 H CYS A 59 4.794 5.589 3.909 1.00 0.00 H new ATOM 0 HA CYS A 59 4.060 4.953 6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.934 5.499 6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.894 6.533 5.001 1.00 0.00 H new ATOM 941 N ASN A 60 4.029 2.724 4.239 1.00 0.00 N ATOM 942 CA ASN A 60 3.902 1.307 3.947 1.00 0.00 C ATOM 943 C ASN A 60 5.281 0.649 4.019 1.00 0.00 C ATOM 944 O ASN A 60 5.396 -0.573 3.950 1.00 0.00 O ATOM 945 CB ASN A 60 3.346 1.082 2.539 1.00 0.00 C ATOM 946 CG ASN A 60 4.404 1.380 1.477 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.463 1.921 1.753 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.063 0.998 0.249 1.00 0.00 N ATOM 0 H ASN A 60 4.392 3.287 3.470 1.00 0.00 H new ATOM 0 HA ASN A 60 3.221 0.873 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.006 0.051 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.477 1.721 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.704 1.153 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.161 0.550 0.086 1.00 0.00 H new