USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 459 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 35 TYR OH : rot 180:sc= 0.0491 USER MOD Set 1.2: A 37 GLN : amide:sc= -2.03 K(o=-2,f=-3.4!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -143:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 29 ASN : amide:sc= 0.449 K(o=1.5,f=-9.9!) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -2.64! (180deg=-2.68!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.00062 X(o=0.00062,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.45) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 27 THR OG1 : rot -107:sc= 1.05 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 60:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.81! X(o=-2.8!,f=-2.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.09 K(o=-3.1,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.910 -13.211 -6.271 1.00 0.00 N ATOM 2 CA VAL A 1 -0.211 -12.161 -5.499 1.00 0.00 C ATOM 3 C VAL A 1 -0.486 -10.909 -6.361 1.00 0.00 C ATOM 4 O VAL A 1 -0.926 -11.078 -7.483 1.00 0.00 O ATOM 5 CB VAL A 1 1.311 -12.572 -5.387 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.457 -13.826 -4.552 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.943 -12.804 -6.737 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.731 -14.139 -5.836 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.932 -13.020 -6.270 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.559 -13.214 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.530 -11.998 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 1 1.827 -11.739 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.511 -14.097 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.063 -13.645 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.902 -14.640 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.988 -13.084 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.415 -13.606 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.883 -11.890 -7.329 1.00 0.00 H new ATOM 19 N ARG A 2 -0.252 -9.709 -5.875 1.00 0.00 N ATOM 20 CA ARG A 2 -0.506 -8.468 -6.703 1.00 0.00 C ATOM 21 C ARG A 2 0.382 -7.357 -6.258 1.00 0.00 C ATOM 22 O ARG A 2 0.989 -7.474 -5.214 1.00 0.00 O ATOM 23 CB ARG A 2 -1.971 -7.889 -6.609 1.00 0.00 C ATOM 24 CG ARG A 2 -2.419 -7.573 -5.157 1.00 0.00 C ATOM 25 CD ARG A 2 -2.720 -8.923 -4.528 1.00 0.00 C ATOM 26 NE ARG A 2 -3.401 -8.887 -3.195 1.00 0.00 N ATOM 27 CZ ARG A 2 -4.461 -9.630 -3.026 1.00 0.00 C ATOM 28 NH1 ARG A 2 -4.581 -10.749 -3.668 1.00 0.00 N ATOM 29 NH2 ARG A 2 -5.377 -9.237 -2.214 1.00 0.00 N ATOM 0 H ARG A 2 0.106 -9.529 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.320 -8.798 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.033 -6.979 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.665 -8.606 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.636 -7.049 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.299 -6.930 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.343 -9.492 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.783 -9.469 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.047 -8.299 -2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.846 -11.051 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.410 -11.327 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.270 -8.355 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.211 -9.807 -2.072 1.00 0.00 H new ATOM 43 N ASP A 3 0.402 -6.342 -7.063 1.00 0.00 N ATOM 44 CA ASP A 3 1.216 -5.151 -6.766 1.00 0.00 C ATOM 45 C ASP A 3 0.092 -4.143 -6.682 1.00 0.00 C ATOM 46 O ASP A 3 -0.817 -4.150 -7.500 1.00 0.00 O ATOM 47 CB ASP A 3 2.182 -4.856 -7.914 1.00 0.00 C ATOM 48 CG ASP A 3 3.249 -5.942 -8.073 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.051 -7.053 -7.619 1.00 0.00 O ATOM 50 OD2 ASP A 3 4.251 -5.613 -8.670 1.00 0.00 O ATOM 0 H ASP A 3 -0.126 -6.290 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 3 1.864 -5.201 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.620 -4.764 -8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.668 -3.896 -7.739 1.00 0.00 H new ATOM 55 N ALA A 4 0.203 -3.311 -5.682 1.00 0.00 N ATOM 56 CA ALA A 4 -0.834 -2.271 -5.440 1.00 0.00 C ATOM 57 C ALA A 4 -0.429 -1.377 -4.264 1.00 0.00 C ATOM 58 O ALA A 4 0.645 -1.515 -3.702 1.00 0.00 O ATOM 59 CB ALA A 4 -2.114 -3.012 -5.137 1.00 0.00 C ATOM 0 H ALA A 4 0.976 -3.309 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.956 -1.620 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.914 -2.295 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.381 -3.640 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.973 -3.636 -4.255 1.00 0.00 H new ATOM 65 N TYR A 5 -1.335 -0.479 -3.924 1.00 0.00 N ATOM 66 CA TYR A 5 -1.141 0.492 -2.797 1.00 0.00 C ATOM 67 C TYR A 5 -1.822 -0.253 -1.663 1.00 0.00 C ATOM 68 O TYR A 5 -2.976 -0.641 -1.749 1.00 0.00 O ATOM 69 CB TYR A 5 -1.880 1.767 -3.120 1.00 0.00 C ATOM 70 CG TYR A 5 -1.119 2.533 -4.223 1.00 0.00 C ATOM 71 CD1 TYR A 5 -0.058 3.374 -3.924 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.483 2.369 -5.543 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.618 4.027 -4.925 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.800 3.028 -6.542 1.00 0.00 C ATOM 75 CZ TYR A 5 0.255 3.857 -6.238 1.00 0.00 C ATOM 76 OH TYR A 5 0.956 4.488 -7.240 1.00 0.00 O ATOM 0 H TYR A 5 -2.231 -0.380 -4.402 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.110 0.775 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.893 1.539 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.969 2.386 -2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.239 3.517 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.309 1.720 -5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.442 4.680 -4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.095 2.893 -7.572 1.00 0.00 H new ATOM 0 HH TYR A 5 0.565 4.257 -8.108 1.00 0.00 H new ATOM 86 N ILE A 6 -1.088 -0.402 -0.609 1.00 0.00 N ATOM 87 CA ILE A 6 -1.641 -1.139 0.545 1.00 0.00 C ATOM 88 C ILE A 6 -2.611 -0.366 1.432 1.00 0.00 C ATOM 89 O ILE A 6 -2.433 0.780 1.826 1.00 0.00 O ATOM 90 CB ILE A 6 -0.445 -1.681 1.352 1.00 0.00 C ATOM 91 CG1 ILE A 6 -0.921 -2.567 2.541 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.494 -0.586 1.810 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.130 -3.850 2.524 1.00 0.00 C ATOM 0 H ILE A 6 -0.138 -0.049 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.269 -1.938 0.150 1.00 0.00 H new ATOM 0 HB ILE A 6 0.130 -2.313 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.775 -2.044 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.987 -2.777 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.318 -1.025 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.889 -0.058 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.047 0.115 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.449 -4.485 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.299 -4.369 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.931 -3.625 2.629 1.00 0.00 H new ATOM 105 N ALA A 7 -3.629 -1.141 1.685 1.00 0.00 N ATOM 106 CA ALA A 7 -4.791 -0.748 2.525 1.00 0.00 C ATOM 107 C ALA A 7 -4.378 -0.275 3.893 1.00 0.00 C ATOM 108 O ALA A 7 -3.304 -0.603 4.338 1.00 0.00 O ATOM 109 CB ALA A 7 -5.690 -1.945 2.681 1.00 0.00 C ATOM 0 H ALA A 7 -3.702 -2.090 1.318 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.300 0.079 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.550 -1.677 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.033 -2.273 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.139 -2.754 3.161 1.00 0.00 H new ATOM 115 N LYS A 8 -5.241 0.470 4.516 1.00 0.00 N ATOM 116 CA LYS A 8 -4.943 0.982 5.868 1.00 0.00 C ATOM 117 C LYS A 8 -5.991 0.372 6.798 1.00 0.00 C ATOM 118 O LYS A 8 -5.717 -0.600 7.465 1.00 0.00 O ATOM 119 CB LYS A 8 -5.021 2.485 5.781 1.00 0.00 C ATOM 120 CG LYS A 8 -3.925 3.127 6.612 1.00 0.00 C ATOM 121 CD LYS A 8 -4.466 3.500 7.975 1.00 0.00 C ATOM 122 CE LYS A 8 -5.255 4.800 7.756 1.00 0.00 C ATOM 123 NZ LYS A 8 -6.122 5.052 8.931 1.00 0.00 N ATOM 0 H LYS A 8 -6.148 0.746 4.139 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.957 0.719 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.928 2.800 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.996 2.825 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.087 2.438 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.545 4.015 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.107 2.713 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.658 3.646 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.569 5.635 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.860 4.723 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.657 5.932 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.785 4.259 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.533 5.142 9.784 1.00 0.00 H new ATOM 137 N ASN A 9 -7.175 0.940 6.824 1.00 0.00 N ATOM 138 CA ASN A 9 -8.246 0.389 7.715 1.00 0.00 C ATOM 139 C ASN A 9 -9.654 0.454 7.076 1.00 0.00 C ATOM 140 O ASN A 9 -10.373 -0.519 7.143 1.00 0.00 O ATOM 141 CB ASN A 9 -8.195 1.186 9.058 1.00 0.00 C ATOM 142 CG ASN A 9 -8.519 0.288 10.277 1.00 0.00 C ATOM 143 OD1 ASN A 9 -7.892 0.410 11.308 1.00 0.00 O ATOM 144 ND2 ASN A 9 -9.462 -0.612 10.249 1.00 0.00 N ATOM 0 H ASN A 9 -7.444 1.754 6.272 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.059 -0.671 7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.204 1.623 9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.905 2.012 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.649 -1.181 11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.013 -0.747 9.401 1.00 0.00 H new ATOM 151 N TYR A 10 -10.032 1.556 6.461 1.00 0.00 N ATOM 152 CA TYR A 10 -11.388 1.697 5.830 1.00 0.00 C ATOM 153 C TYR A 10 -11.344 2.157 4.359 1.00 0.00 C ATOM 154 O TYR A 10 -11.691 3.262 3.982 1.00 0.00 O ATOM 155 CB TYR A 10 -12.224 2.702 6.671 1.00 0.00 C ATOM 156 CG TYR A 10 -13.240 1.982 7.599 1.00 0.00 C ATOM 157 CD1 TYR A 10 -12.856 1.379 8.783 1.00 0.00 C ATOM 158 CD2 TYR A 10 -14.574 1.935 7.238 1.00 0.00 C ATOM 159 CE1 TYR A 10 -13.793 0.746 9.579 1.00 0.00 C ATOM 160 CE2 TYR A 10 -15.504 1.303 8.033 1.00 0.00 C ATOM 161 CZ TYR A 10 -15.122 0.705 9.206 1.00 0.00 C ATOM 162 OH TYR A 10 -16.075 0.076 9.979 1.00 0.00 O ATOM 0 H TYR A 10 -9.441 2.383 6.369 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.845 0.708 5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.554 3.315 7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.759 3.377 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.820 1.403 9.087 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.892 2.402 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -13.482 0.279 10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.541 1.278 7.731 1.00 0.00 H new ATOM 0 HH TYR A 10 -16.951 0.157 9.548 1.00 0.00 H new ATOM 172 N ASN A 11 -10.884 1.255 3.546 1.00 0.00 N ATOM 173 CA ASN A 11 -10.775 1.507 2.063 1.00 0.00 C ATOM 174 C ASN A 11 -9.795 2.624 1.757 1.00 0.00 C ATOM 175 O ASN A 11 -9.835 3.270 0.729 1.00 0.00 O ATOM 176 CB ASN A 11 -12.198 1.835 1.546 1.00 0.00 C ATOM 177 CG ASN A 11 -12.246 1.795 0.026 1.00 0.00 C ATOM 178 OD1 ASN A 11 -12.203 2.799 -0.648 1.00 0.00 O ATOM 179 ND2 ASN A 11 -12.340 0.642 -0.553 1.00 0.00 N ATOM 0 H ASN A 11 -10.569 0.331 3.840 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.385 0.624 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.912 1.120 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.498 2.822 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.377 0.584 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.377 -0.209 0.008 1.00 0.00 H new ATOM 186 N CYS A 12 -8.907 2.805 2.683 1.00 0.00 N ATOM 187 CA CYS A 12 -7.878 3.848 2.511 1.00 0.00 C ATOM 188 C CYS A 12 -6.570 3.087 2.515 1.00 0.00 C ATOM 189 O CYS A 12 -6.560 1.894 2.753 1.00 0.00 O ATOM 190 CB CYS A 12 -7.864 4.827 3.654 1.00 0.00 C ATOM 191 SG CYS A 12 -7.165 6.399 3.113 1.00 0.00 S ATOM 0 H CYS A 12 -8.851 2.274 3.552 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.060 4.425 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.877 4.979 4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.278 4.425 4.481 1.00 0.00 H new ATOM 196 N VAL A 13 -5.523 3.792 2.274 1.00 0.00 N ATOM 197 CA VAL A 13 -4.174 3.178 2.241 1.00 0.00 C ATOM 198 C VAL A 13 -3.292 3.784 3.335 1.00 0.00 C ATOM 199 O VAL A 13 -3.669 4.752 3.974 1.00 0.00 O ATOM 200 CB VAL A 13 -3.603 3.412 0.823 1.00 0.00 C ATOM 201 CG1 VAL A 13 -4.408 2.584 -0.147 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.657 4.849 0.366 1.00 0.00 C ATOM 0 H VAL A 13 -5.537 4.796 2.093 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.214 2.107 2.441 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.551 3.130 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.025 2.731 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.329 1.530 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.453 2.891 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.238 4.928 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.693 5.188 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.079 5.470 1.050 1.00 0.00 H new ATOM 212 N TYR A 14 -2.155 3.179 3.520 1.00 0.00 N ATOM 213 CA TYR A 14 -1.200 3.668 4.559 1.00 0.00 C ATOM 214 C TYR A 14 -0.447 4.892 4.042 1.00 0.00 C ATOM 215 O TYR A 14 -0.644 5.314 2.923 1.00 0.00 O ATOM 216 CB TYR A 14 -0.195 2.580 4.864 1.00 0.00 C ATOM 217 CG TYR A 14 -0.682 1.495 5.856 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.842 1.746 7.212 1.00 0.00 C ATOM 219 CD2 TYR A 14 -0.959 0.235 5.395 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.271 0.746 8.068 1.00 0.00 C ATOM 221 CE2 TYR A 14 -1.382 -0.758 6.243 1.00 0.00 C ATOM 222 CZ TYR A 14 -1.543 -0.508 7.577 1.00 0.00 C ATOM 223 OH TYR A 14 -1.983 -1.511 8.408 1.00 0.00 O ATOM 0 H TYR A 14 -1.841 2.362 2.996 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.759 3.933 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.087 2.095 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.706 3.042 5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.630 2.730 7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.842 0.019 4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.392 0.952 9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.589 -1.744 5.853 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.125 -2.329 7.887 1.00 0.00 H new ATOM 233 N GLU A 15 0.395 5.423 4.889 1.00 0.00 N ATOM 234 CA GLU A 15 1.216 6.613 4.529 1.00 0.00 C ATOM 235 C GLU A 15 2.680 6.282 4.808 1.00 0.00 C ATOM 236 O GLU A 15 3.010 5.665 5.808 1.00 0.00 O ATOM 237 CB GLU A 15 0.777 7.826 5.374 1.00 0.00 C ATOM 238 CG GLU A 15 0.858 7.512 6.886 1.00 0.00 C ATOM 239 CD GLU A 15 0.371 8.747 7.639 1.00 0.00 C ATOM 240 OE1 GLU A 15 -0.842 8.853 7.715 1.00 0.00 O ATOM 241 OE2 GLU A 15 1.224 9.508 8.074 1.00 0.00 O ATOM 0 H GLU A 15 0.550 5.073 5.835 1.00 0.00 H new ATOM 0 HA GLU A 15 1.083 6.861 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.411 8.682 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.244 8.105 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.243 6.646 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.881 7.267 7.172 1.00 0.00 H new ATOM 248 N CYS A 16 3.511 6.701 3.896 1.00 0.00 N ATOM 249 CA CYS A 16 4.971 6.459 4.013 1.00 0.00 C ATOM 250 C CYS A 16 5.813 7.674 3.582 1.00 0.00 C ATOM 251 O CYS A 16 5.407 8.459 2.746 1.00 0.00 O ATOM 252 CB CYS A 16 5.248 5.230 3.150 1.00 0.00 C ATOM 253 SG CYS A 16 4.408 5.137 1.549 1.00 0.00 S ATOM 0 H CYS A 16 3.231 7.211 3.058 1.00 0.00 H new ATOM 0 HA CYS A 16 5.258 6.293 5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.322 5.178 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.977 4.345 3.726 1.00 0.00 H new ATOM 258 N PHE A 17 6.970 7.780 4.185 1.00 0.00 N ATOM 259 CA PHE A 17 7.933 8.895 3.893 1.00 0.00 C ATOM 260 C PHE A 17 9.255 8.355 3.411 1.00 0.00 C ATOM 261 O PHE A 17 10.076 9.108 2.932 1.00 0.00 O ATOM 262 CB PHE A 17 8.223 9.733 5.137 1.00 0.00 C ATOM 263 CG PHE A 17 7.112 10.731 5.447 1.00 0.00 C ATOM 264 CD1 PHE A 17 7.084 11.960 4.813 1.00 0.00 C ATOM 265 CD2 PHE A 17 6.139 10.419 6.367 1.00 0.00 C ATOM 266 CE1 PHE A 17 6.093 12.871 5.104 1.00 0.00 C ATOM 267 CE2 PHE A 17 5.146 11.324 6.661 1.00 0.00 C ATOM 268 CZ PHE A 17 5.123 12.550 6.030 1.00 0.00 C ATOM 0 H PHE A 17 7.300 7.121 4.890 1.00 0.00 H new ATOM 0 HA PHE A 17 7.459 9.509 3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.360 9.071 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.160 10.271 4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.843 12.207 4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.155 9.459 6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.076 13.831 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.385 11.075 7.385 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.343 13.261 6.262 1.00 0.00 H new ATOM 278 N ARG A 18 9.431 7.074 3.556 1.00 0.00 N ATOM 279 CA ARG A 18 10.684 6.378 3.139 1.00 0.00 C ATOM 280 C ARG A 18 10.193 5.114 2.458 1.00 0.00 C ATOM 281 O ARG A 18 9.031 4.777 2.578 1.00 0.00 O ATOM 282 CB ARG A 18 11.557 5.962 4.371 1.00 0.00 C ATOM 283 CG ARG A 18 11.921 7.172 5.289 1.00 0.00 C ATOM 284 CD ARG A 18 12.780 8.235 4.498 1.00 0.00 C ATOM 285 NE ARG A 18 12.101 9.577 4.378 1.00 0.00 N ATOM 286 CZ ARG A 18 12.742 10.708 4.472 1.00 0.00 C ATOM 287 NH1 ARG A 18 13.977 10.700 4.094 1.00 0.00 N ATOM 288 NH2 ARG A 18 12.157 11.784 4.916 1.00 0.00 N ATOM 0 H ARG A 18 8.730 6.454 3.963 1.00 0.00 H new ATOM 0 HA ARG A 18 11.300 7.021 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.020 5.216 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.474 5.490 4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.009 7.639 5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.478 6.821 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.739 8.364 5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.992 7.852 3.500 1.00 0.00 H new ATOM 0 HE ARG A 18 11.094 9.600 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.398 9.839 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.531 11.555 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.177 11.752 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.679 12.658 4.981 1.00 0.00 H new ATOM 302 N ASP A 19 11.088 4.452 1.793 1.00 0.00 N ATOM 303 CA ASP A 19 10.707 3.203 1.096 1.00 0.00 C ATOM 304 C ASP A 19 10.987 2.024 2.026 1.00 0.00 C ATOM 305 O ASP A 19 10.162 1.140 2.120 1.00 0.00 O ATOM 306 CB ASP A 19 11.502 3.216 -0.216 1.00 0.00 C ATOM 307 CG ASP A 19 10.651 3.970 -1.276 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.025 4.962 -0.938 1.00 0.00 O ATOM 309 OD2 ASP A 19 10.669 3.491 -2.389 1.00 0.00 O ATOM 0 H ASP A 19 12.067 4.722 1.702 1.00 0.00 H new ATOM 0 HA ASP A 19 9.649 3.114 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.464 3.710 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.711 2.199 -0.547 1.00 0.00 H new ATOM 314 N SER A 20 12.116 1.982 2.696 1.00 0.00 N ATOM 315 CA SER A 20 12.389 0.821 3.636 1.00 0.00 C ATOM 316 C SER A 20 11.126 0.471 4.440 1.00 0.00 C ATOM 317 O SER A 20 10.706 -0.664 4.489 1.00 0.00 O ATOM 318 CB SER A 20 13.487 1.138 4.696 1.00 0.00 C ATOM 319 OG SER A 20 14.574 0.282 4.356 1.00 0.00 O ATOM 0 H SER A 20 12.855 2.683 2.642 1.00 0.00 H new ATOM 0 HA SER A 20 12.716 0.005 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.782 2.187 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.130 0.942 5.707 1.00 0.00 H new ATOM 0 HG SER A 20 15.313 0.426 4.984 1.00 0.00 H new ATOM 325 N TYR A 21 10.564 1.484 5.054 1.00 0.00 N ATOM 326 CA TYR A 21 9.330 1.318 5.882 1.00 0.00 C ATOM 327 C TYR A 21 8.392 0.367 5.174 1.00 0.00 C ATOM 328 O TYR A 21 7.960 -0.645 5.682 1.00 0.00 O ATOM 329 CB TYR A 21 8.655 2.690 6.052 1.00 0.00 C ATOM 330 CG TYR A 21 7.539 2.557 7.086 1.00 0.00 C ATOM 331 CD1 TYR A 21 7.858 2.569 8.424 1.00 0.00 C ATOM 332 CD2 TYR A 21 6.223 2.411 6.686 1.00 0.00 C ATOM 333 CE1 TYR A 21 6.868 2.434 9.359 1.00 0.00 C ATOM 334 CE2 TYR A 21 5.229 2.275 7.626 1.00 0.00 C ATOM 335 CZ TYR A 21 5.559 2.286 8.963 1.00 0.00 C ATOM 336 OH TYR A 21 4.585 2.133 9.917 1.00 0.00 O ATOM 0 H TYR A 21 10.918 2.440 5.014 1.00 0.00 H new ATOM 0 HA TYR A 21 9.582 0.916 6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.384 3.433 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.250 3.033 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.886 2.685 8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.976 2.404 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.115 2.444 10.410 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.200 2.161 7.319 1.00 0.00 H new ATOM 0 HH TYR A 21 3.712 2.041 9.481 1.00 0.00 H new ATOM 346 N CYS A 22 8.125 0.762 3.967 1.00 0.00 N ATOM 347 CA CYS A 22 7.223 -0.025 3.112 1.00 0.00 C ATOM 348 C CYS A 22 7.795 -1.407 2.955 1.00 0.00 C ATOM 349 O CYS A 22 7.087 -2.356 3.219 1.00 0.00 O ATOM 350 CB CYS A 22 7.115 0.650 1.796 1.00 0.00 C ATOM 351 SG CYS A 22 6.301 2.256 1.847 1.00 0.00 S ATOM 0 H CYS A 22 8.500 1.607 3.537 1.00 0.00 H new ATOM 0 HA CYS A 22 6.230 -0.102 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.116 0.777 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.568 0.001 1.112 1.00 0.00 H new ATOM 356 N ASN A 23 9.033 -1.481 2.528 1.00 0.00 N ATOM 357 CA ASN A 23 9.692 -2.817 2.348 1.00 0.00 C ATOM 358 C ASN A 23 9.316 -3.688 3.565 1.00 0.00 C ATOM 359 O ASN A 23 8.893 -4.806 3.381 1.00 0.00 O ATOM 360 CB ASN A 23 11.248 -2.631 2.222 1.00 0.00 C ATOM 361 CG ASN A 23 11.903 -3.998 2.260 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.277 -4.504 3.294 1.00 0.00 O ATOM 363 ND2 ASN A 23 12.071 -4.656 1.162 1.00 0.00 N ATOM 0 H ASN A 23 9.616 -0.677 2.296 1.00 0.00 H new ATOM 0 HA ASN A 23 9.354 -3.307 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.494 -2.119 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.622 -2.010 3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.509 -5.577 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.766 -4.255 0.275 1.00 0.00 H new ATOM 370 N ASP A 24 9.464 -3.128 4.739 1.00 0.00 N ATOM 371 CA ASP A 24 9.155 -3.785 6.054 1.00 0.00 C ATOM 372 C ASP A 24 7.643 -4.116 6.173 1.00 0.00 C ATOM 373 O ASP A 24 7.213 -5.225 6.414 1.00 0.00 O ATOM 374 CB ASP A 24 9.581 -2.809 7.161 1.00 0.00 C ATOM 375 CG ASP A 24 10.589 -3.440 8.125 1.00 0.00 C ATOM 376 OD1 ASP A 24 10.208 -4.356 8.831 1.00 0.00 O ATOM 377 OD2 ASP A 24 11.708 -2.961 8.100 1.00 0.00 O ATOM 0 H ASP A 24 9.811 -2.175 4.846 1.00 0.00 H new ATOM 0 HA ASP A 24 9.694 -4.729 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.019 -1.918 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.701 -2.485 7.717 1.00 0.00 H new ATOM 382 N LEU A 25 6.858 -3.091 6.017 1.00 0.00 N ATOM 383 CA LEU A 25 5.354 -3.115 6.076 1.00 0.00 C ATOM 384 C LEU A 25 4.743 -4.250 5.257 1.00 0.00 C ATOM 385 O LEU A 25 3.950 -5.059 5.710 1.00 0.00 O ATOM 386 CB LEU A 25 4.833 -1.749 5.532 1.00 0.00 C ATOM 387 CG LEU A 25 3.281 -1.666 5.444 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.709 -1.525 6.829 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.840 -0.486 4.615 1.00 0.00 C ATOM 0 H LEU A 25 7.225 -2.157 5.835 1.00 0.00 H new ATOM 0 HA LEU A 25 5.057 -3.281 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.196 -0.948 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.255 -1.577 4.542 1.00 0.00 H new ATOM 0 HG LEU A 25 2.921 -2.579 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.622 -1.467 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.994 -2.389 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.096 -0.617 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.751 -0.457 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.211 0.434 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.239 -0.581 3.605 1.00 0.00 H new ATOM 401 N CYS A 26 5.161 -4.244 4.029 1.00 0.00 N ATOM 402 CA CYS A 26 4.694 -5.245 3.040 1.00 0.00 C ATOM 403 C CYS A 26 5.043 -6.665 3.438 1.00 0.00 C ATOM 404 O CYS A 26 4.180 -7.520 3.561 1.00 0.00 O ATOM 405 CB CYS A 26 5.327 -4.864 1.717 1.00 0.00 C ATOM 406 SG CYS A 26 4.917 -3.198 1.156 1.00 0.00 S ATOM 0 H CYS A 26 5.827 -3.566 3.659 1.00 0.00 H new ATOM 0 HA CYS A 26 3.606 -5.233 2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.410 -4.949 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.013 -5.579 0.957 1.00 0.00 H new ATOM 411 N THR A 27 6.309 -6.892 3.636 1.00 0.00 N ATOM 412 CA THR A 27 6.771 -8.241 4.020 1.00 0.00 C ATOM 413 C THR A 27 6.073 -8.606 5.321 1.00 0.00 C ATOM 414 O THR A 27 5.657 -9.738 5.455 1.00 0.00 O ATOM 415 CB THR A 27 8.280 -8.126 4.096 1.00 0.00 C ATOM 416 OG1 THR A 27 8.480 -6.983 4.898 1.00 0.00 O ATOM 417 CG2 THR A 27 8.831 -7.731 2.744 1.00 0.00 C ATOM 0 H THR A 27 7.045 -6.192 3.546 1.00 0.00 H new ATOM 0 HA THR A 27 6.530 -9.046 3.326 1.00 0.00 H new ATOM 0 HB THR A 27 8.736 -9.052 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.786 -6.239 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.916 -7.649 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.564 -8.488 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.411 -6.770 2.446 1.00 0.00 H new ATOM 425 N LYS A 28 5.942 -7.695 6.254 1.00 0.00 N ATOM 426 CA LYS A 28 5.245 -8.020 7.539 1.00 0.00 C ATOM 427 C LYS A 28 3.906 -8.736 7.267 1.00 0.00 C ATOM 428 O LYS A 28 3.557 -9.685 7.948 1.00 0.00 O ATOM 429 CB LYS A 28 5.007 -6.723 8.324 1.00 0.00 C ATOM 430 CG LYS A 28 4.454 -7.066 9.751 1.00 0.00 C ATOM 431 CD LYS A 28 2.891 -7.108 9.771 1.00 0.00 C ATOM 432 CE LYS A 28 2.269 -5.674 9.813 1.00 0.00 C ATOM 433 NZ LYS A 28 1.041 -5.539 8.992 1.00 0.00 N ATOM 0 H LYS A 28 6.288 -6.738 6.182 1.00 0.00 H new ATOM 0 HA LYS A 28 5.871 -8.692 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.937 -6.161 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.299 -6.088 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.848 -8.030 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.807 -6.323 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.531 -7.634 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.554 -7.675 10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.036 -5.417 10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.010 -4.954 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.023 -4.600 8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.034 -6.273 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.204 -5.650 9.599 1.00 0.00 H new ATOM 447 N ASN A 29 3.180 -8.262 6.287 1.00 0.00 N ATOM 448 CA ASN A 29 1.887 -8.932 5.990 1.00 0.00 C ATOM 449 C ASN A 29 2.135 -10.209 5.189 1.00 0.00 C ATOM 450 O ASN A 29 1.275 -11.067 5.109 1.00 0.00 O ATOM 451 CB ASN A 29 1.005 -7.955 5.207 1.00 0.00 C ATOM 452 CG ASN A 29 -0.118 -7.684 6.151 1.00 0.00 C ATOM 453 OD1 ASN A 29 -0.033 -6.834 7.003 1.00 0.00 O ATOM 454 ND2 ASN A 29 -1.189 -8.393 6.064 1.00 0.00 N ATOM 0 H ASN A 29 3.419 -7.465 5.698 1.00 0.00 H new ATOM 0 HA ASN A 29 1.382 -9.212 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.544 -7.043 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.651 -8.391 4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.960 -8.235 6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.267 -9.113 5.346 1.00 0.00 H new ATOM 461 N GLY A 30 3.307 -10.256 4.623 1.00 0.00 N ATOM 462 CA GLY A 30 3.775 -11.412 3.806 1.00 0.00 C ATOM 463 C GLY A 30 4.031 -11.070 2.343 1.00 0.00 C ATOM 464 O GLY A 30 3.967 -11.944 1.508 1.00 0.00 O ATOM 0 H GLY A 30 3.992 -9.504 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.693 -11.805 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.031 -12.207 3.858 1.00 0.00 H new ATOM 468 N ALA A 31 4.318 -9.835 2.037 1.00 0.00 N ATOM 469 CA ALA A 31 4.569 -9.458 0.608 1.00 0.00 C ATOM 470 C ALA A 31 5.949 -9.906 0.147 1.00 0.00 C ATOM 471 O ALA A 31 6.820 -10.120 0.970 1.00 0.00 O ATOM 472 CB ALA A 31 4.527 -7.957 0.460 1.00 0.00 C ATOM 0 H ALA A 31 4.391 -9.070 2.708 1.00 0.00 H new ATOM 0 HA ALA A 31 3.799 -9.944 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.710 -7.689 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.547 -7.589 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.294 -7.508 1.091 1.00 0.00 H new ATOM 478 N SER A 32 6.129 -10.039 -1.144 1.00 0.00 N ATOM 479 CA SER A 32 7.484 -10.457 -1.607 1.00 0.00 C ATOM 480 C SER A 32 8.298 -9.187 -1.348 1.00 0.00 C ATOM 481 O SER A 32 9.412 -9.309 -0.895 1.00 0.00 O ATOM 482 CB SER A 32 7.481 -10.813 -3.098 1.00 0.00 C ATOM 483 OG SER A 32 8.645 -11.613 -3.285 1.00 0.00 O ATOM 0 H SER A 32 5.428 -9.884 -1.869 1.00 0.00 H new ATOM 0 HA SER A 32 7.868 -11.347 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.578 -11.359 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.513 -9.917 -3.718 1.00 0.00 H new ATOM 0 HG SER A 32 8.709 -11.882 -4.225 1.00 0.00 H new ATOM 489 N SER A 33 7.781 -8.014 -1.638 1.00 0.00 N ATOM 490 CA SER A 33 8.604 -6.791 -1.344 1.00 0.00 C ATOM 491 C SER A 33 7.775 -5.515 -1.435 1.00 0.00 C ATOM 492 O SER A 33 6.757 -5.496 -2.103 1.00 0.00 O ATOM 493 CB SER A 33 9.798 -6.732 -2.335 1.00 0.00 C ATOM 494 OG SER A 33 10.872 -7.352 -1.632 1.00 0.00 O ATOM 0 H SER A 33 6.862 -7.851 -2.049 1.00 0.00 H new ATOM 0 HA SER A 33 8.973 -6.861 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.572 -7.260 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.040 -5.704 -2.605 1.00 0.00 H new ATOM 0 HG SER A 33 10.624 -8.272 -1.401 1.00 0.00 H new ATOM 500 N GLY A 34 8.227 -4.489 -0.757 1.00 0.00 N ATOM 501 CA GLY A 34 7.489 -3.192 -0.784 1.00 0.00 C ATOM 502 C GLY A 34 8.377 -1.952 -0.820 1.00 0.00 C ATOM 503 O GLY A 34 9.528 -1.998 -0.426 1.00 0.00 O ATOM 0 H GLY A 34 9.073 -4.495 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.836 -3.180 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.847 -3.137 0.095 1.00 0.00 H new ATOM 507 N TYR A 35 7.802 -0.881 -1.309 1.00 0.00 N ATOM 508 CA TYR A 35 8.514 0.438 -1.402 1.00 0.00 C ATOM 509 C TYR A 35 7.409 1.507 -1.245 1.00 0.00 C ATOM 510 O TYR A 35 6.261 1.113 -1.154 1.00 0.00 O ATOM 511 CB TYR A 35 9.282 0.523 -2.780 1.00 0.00 C ATOM 512 CG TYR A 35 8.549 0.539 -4.145 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.685 1.558 -4.444 1.00 0.00 C ATOM 514 CD2 TYR A 35 8.784 -0.433 -5.102 1.00 0.00 C ATOM 515 CE1 TYR A 35 7.064 1.619 -5.667 1.00 0.00 C ATOM 516 CE2 TYR A 35 8.158 -0.370 -6.339 1.00 0.00 C ATOM 517 CZ TYR A 35 7.284 0.669 -6.632 1.00 0.00 C ATOM 518 OH TYR A 35 6.639 0.809 -7.854 1.00 0.00 O ATOM 0 H TYR A 35 6.844 -0.863 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 35 9.275 0.582 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.890 1.427 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.970 -0.322 -2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.489 2.324 -3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.460 -1.247 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.386 2.434 -5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.352 -1.133 -7.078 1.00 0.00 H new ATOM 0 HH TYR A 35 6.887 0.066 -8.442 1.00 0.00 H new ATOM 528 N CYS A 36 7.670 2.794 -1.221 1.00 0.00 N ATOM 529 CA CYS A 36 6.496 3.721 -1.054 1.00 0.00 C ATOM 530 C CYS A 36 6.120 4.269 -2.419 1.00 0.00 C ATOM 531 O CYS A 36 6.982 4.427 -3.263 1.00 0.00 O ATOM 532 CB CYS A 36 6.872 4.880 -0.140 1.00 0.00 C ATOM 533 SG CYS A 36 5.597 6.099 0.238 1.00 0.00 S ATOM 0 H CYS A 36 8.589 3.228 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 36 5.660 3.178 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.226 4.462 0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.714 5.404 -0.593 1.00 0.00 H new ATOM 538 N GLN A 37 4.869 4.551 -2.649 1.00 0.00 N ATOM 539 CA GLN A 37 4.485 5.085 -3.979 1.00 0.00 C ATOM 540 C GLN A 37 3.320 6.025 -3.767 1.00 0.00 C ATOM 541 O GLN A 37 2.624 5.938 -2.767 1.00 0.00 O ATOM 542 CB GLN A 37 4.125 3.879 -4.821 1.00 0.00 C ATOM 543 CG GLN A 37 4.112 4.124 -6.351 1.00 0.00 C ATOM 544 CD GLN A 37 5.440 4.705 -6.840 1.00 0.00 C ATOM 545 OE1 GLN A 37 5.713 5.864 -6.615 1.00 0.00 O ATOM 546 NE2 GLN A 37 6.315 4.001 -7.499 1.00 0.00 N ATOM 0 H GLN A 37 4.106 4.436 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 37 5.272 5.646 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.833 3.079 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.140 3.525 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.912 3.186 -6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.301 4.807 -6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.126 3.021 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.189 4.429 -7.804 1.00 0.00 H new ATOM 555 N TRP A 38 3.076 6.922 -4.674 1.00 0.00 N ATOM 556 CA TRP A 38 1.917 7.812 -4.417 1.00 0.00 C ATOM 557 C TRP A 38 1.425 8.538 -5.634 1.00 0.00 C ATOM 558 O TRP A 38 2.122 8.660 -6.621 1.00 0.00 O ATOM 559 CB TRP A 38 2.301 8.833 -3.297 1.00 0.00 C ATOM 560 CG TRP A 38 3.677 9.427 -3.544 1.00 0.00 C ATOM 561 CD1 TRP A 38 4.147 9.887 -4.733 1.00 0.00 C ATOM 562 CD2 TRP A 38 4.647 9.587 -2.597 1.00 0.00 C ATOM 563 NE1 TRP A 38 5.358 10.299 -4.452 1.00 0.00 N ATOM 564 CE2 TRP A 38 5.749 10.164 -3.207 1.00 0.00 C ATOM 565 CE3 TRP A 38 4.695 9.293 -1.236 1.00 0.00 C ATOM 566 CZ2 TRP A 38 6.902 10.453 -2.483 1.00 0.00 C ATOM 567 CZ3 TRP A 38 5.841 9.577 -0.493 1.00 0.00 C ATOM 568 CH2 TRP A 38 6.948 10.158 -1.118 1.00 0.00 C ATOM 0 H TRP A 38 3.596 7.075 -5.538 1.00 0.00 H new ATOM 0 HA TRP A 38 1.090 7.176 -4.100 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.559 9.631 -3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.285 8.336 -2.327 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.640 9.908 -5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.966 10.704 -5.164 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.840 8.843 -0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.754 10.902 -2.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.873 9.349 0.562 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.838 10.379 -0.547 1.00 0.00 H new ATOM 579 N ALA A 39 0.209 8.981 -5.497 1.00 0.00 N ATOM 580 CA ALA A 39 -0.504 9.746 -6.556 1.00 0.00 C ATOM 581 C ALA A 39 -0.780 8.700 -7.648 1.00 0.00 C ATOM 582 O ALA A 39 -0.528 8.916 -8.817 1.00 0.00 O ATOM 583 CB ALA A 39 0.379 10.858 -7.081 1.00 0.00 C ATOM 0 H ALA A 39 -0.345 8.836 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.417 10.222 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.153 11.411 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.637 11.533 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.290 10.432 -7.501 1.00 0.00 H new ATOM 589 N GLY A 40 -1.298 7.583 -7.208 1.00 0.00 N ATOM 590 CA GLY A 40 -1.614 6.493 -8.178 1.00 0.00 C ATOM 591 C GLY A 40 -3.020 6.821 -8.636 1.00 0.00 C ATOM 592 O GLY A 40 -3.261 7.153 -9.780 1.00 0.00 O ATOM 0 H GLY A 40 -1.514 7.380 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.913 6.483 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.564 5.511 -7.708 1.00 0.00 H new ATOM 596 N LYS A 41 -3.930 6.715 -7.706 1.00 0.00 N ATOM 597 CA LYS A 41 -5.362 7.009 -7.993 1.00 0.00 C ATOM 598 C LYS A 41 -6.111 7.162 -6.643 1.00 0.00 C ATOM 599 O LYS A 41 -6.969 8.011 -6.515 1.00 0.00 O ATOM 600 CB LYS A 41 -5.870 5.843 -8.846 1.00 0.00 C ATOM 601 CG LYS A 41 -7.091 6.223 -9.752 1.00 0.00 C ATOM 602 CD LYS A 41 -6.962 5.475 -11.119 1.00 0.00 C ATOM 603 CE LYS A 41 -8.347 5.075 -11.698 1.00 0.00 C ATOM 604 NZ LYS A 41 -8.275 4.900 -13.186 1.00 0.00 N ATOM 0 H LYS A 41 -3.738 6.433 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.521 7.939 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.057 5.482 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.155 5.020 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.024 5.950 -9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.119 7.301 -9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.441 6.113 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.353 4.581 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.685 4.148 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.083 5.841 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.212 4.633 -13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.974 5.793 -13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.589 4.153 -13.415 1.00 0.00 H new ATOM 618 N TYR A 42 -5.781 6.348 -5.662 1.00 0.00 N ATOM 619 CA TYR A 42 -6.461 6.426 -4.308 1.00 0.00 C ATOM 620 C TYR A 42 -5.530 6.927 -3.170 1.00 0.00 C ATOM 621 O TYR A 42 -5.600 6.455 -2.047 1.00 0.00 O ATOM 622 CB TYR A 42 -7.059 4.982 -3.909 1.00 0.00 C ATOM 623 CG TYR A 42 -6.407 3.879 -4.715 1.00 0.00 C ATOM 624 CD1 TYR A 42 -6.668 3.861 -6.067 1.00 0.00 C ATOM 625 CD2 TYR A 42 -5.563 2.937 -4.166 1.00 0.00 C ATOM 626 CE1 TYR A 42 -6.101 2.919 -6.876 1.00 0.00 C ATOM 627 CE2 TYR A 42 -4.997 1.993 -4.990 1.00 0.00 C ATOM 628 CZ TYR A 42 -5.267 1.988 -6.330 1.00 0.00 C ATOM 629 OH TYR A 42 -4.693 1.028 -7.137 1.00 0.00 O ATOM 0 H TYR A 42 -5.065 5.625 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.259 7.162 -4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.901 4.801 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.136 4.972 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.329 4.601 -6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.350 2.941 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.310 2.911 -7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.333 1.249 -4.575 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.125 0.442 -6.595 1.00 0.00 H new ATOM 639 N GLY A 43 -4.682 7.886 -3.480 1.00 0.00 N ATOM 640 CA GLY A 43 -3.748 8.430 -2.434 1.00 0.00 C ATOM 641 C GLY A 43 -2.259 8.099 -2.591 1.00 0.00 C ATOM 642 O GLY A 43 -1.715 7.875 -3.662 1.00 0.00 O ATOM 0 H GLY A 43 -4.596 8.312 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.854 9.515 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.076 8.062 -1.462 1.00 0.00 H new ATOM 646 N ASN A 44 -1.656 8.111 -1.438 1.00 0.00 N ATOM 647 CA ASN A 44 -0.227 7.831 -1.236 1.00 0.00 C ATOM 648 C ASN A 44 -0.237 6.561 -0.420 1.00 0.00 C ATOM 649 O ASN A 44 -1.218 6.347 0.264 1.00 0.00 O ATOM 650 CB ASN A 44 0.366 8.936 -0.406 1.00 0.00 C ATOM 651 CG ASN A 44 -0.376 8.881 0.950 1.00 0.00 C ATOM 652 OD1 ASN A 44 -1.438 9.447 1.114 1.00 0.00 O ATOM 653 ND2 ASN A 44 0.145 8.185 1.916 1.00 0.00 N ATOM 0 H ASN A 44 -2.146 8.321 -0.569 1.00 0.00 H new ATOM 0 HA ASN A 44 0.340 7.749 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.438 8.794 -0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.231 9.904 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.338 8.114 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.037 7.710 1.779 1.00 0.00 H new ATOM 660 N ALA A 45 0.785 5.770 -0.491 1.00 0.00 N ATOM 661 CA ALA A 45 0.745 4.543 0.338 1.00 0.00 C ATOM 662 C ALA A 45 1.967 3.811 -0.024 1.00 0.00 C ATOM 663 O ALA A 45 2.770 4.214 -0.841 1.00 0.00 O ATOM 664 CB ALA A 45 -0.415 3.633 0.012 1.00 0.00 C ATOM 0 H ALA A 45 1.618 5.908 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 45 0.652 4.823 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.381 2.755 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.352 4.166 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.350 3.320 -1.030 1.00 0.00 H new ATOM 670 N CYS A 46 2.071 2.694 0.604 1.00 0.00 N ATOM 671 CA CYS A 46 3.235 1.886 0.307 1.00 0.00 C ATOM 672 C CYS A 46 2.691 1.094 -0.856 1.00 0.00 C ATOM 673 O CYS A 46 1.514 0.772 -0.932 1.00 0.00 O ATOM 674 CB CYS A 46 3.534 1.081 1.544 1.00 0.00 C ATOM 675 SG CYS A 46 4.565 1.864 2.804 1.00 0.00 S ATOM 0 H CYS A 46 1.415 2.320 1.290 1.00 0.00 H new ATOM 0 HA CYS A 46 4.177 2.375 0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.586 0.805 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.020 0.155 1.236 1.00 0.00 H new ATOM 680 N TRP A 47 3.591 0.803 -1.732 1.00 0.00 N ATOM 681 CA TRP A 47 3.256 0.032 -2.940 1.00 0.00 C ATOM 682 C TRP A 47 3.965 -1.223 -2.563 1.00 0.00 C ATOM 683 O TRP A 47 5.170 -1.251 -2.360 1.00 0.00 O ATOM 684 CB TRP A 47 3.883 0.642 -4.207 1.00 0.00 C ATOM 685 CG TRP A 47 3.772 -0.297 -5.422 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.576 -1.366 -5.676 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.863 -0.204 -6.437 1.00 0.00 C ATOM 688 NE1 TRP A 47 4.126 -1.860 -6.811 1.00 0.00 N ATOM 689 CE2 TRP A 47 3.099 -1.228 -7.344 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.832 0.700 -6.658 1.00 0.00 C ATOM 691 CZ2 TRP A 47 2.302 -1.356 -8.487 1.00 0.00 C ATOM 692 CZ3 TRP A 47 1.035 0.578 -7.792 1.00 0.00 C ATOM 693 CH2 TRP A 47 1.267 -0.445 -8.706 1.00 0.00 C ATOM 0 H TRP A 47 4.571 1.075 -1.659 1.00 0.00 H new ATOM 0 HA TRP A 47 2.195 -0.042 -3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.391 1.587 -4.435 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.933 0.867 -4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.400 -1.728 -5.079 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.546 -2.680 -7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.649 1.496 -5.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.486 -2.152 -9.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.233 1.280 -7.963 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.646 -0.534 -9.585 1.00 0.00 H new ATOM 704 N CYS A 48 3.186 -2.246 -2.461 1.00 0.00 N ATOM 705 CA CYS A 48 3.800 -3.533 -2.096 1.00 0.00 C ATOM 706 C CYS A 48 3.581 -4.247 -3.404 1.00 0.00 C ATOM 707 O CYS A 48 2.619 -3.982 -4.112 1.00 0.00 O ATOM 708 CB CYS A 48 3.038 -4.199 -0.948 1.00 0.00 C ATOM 709 SG CYS A 48 2.973 -3.284 0.608 1.00 0.00 S ATOM 0 H CYS A 48 2.177 -2.251 -2.610 1.00 0.00 H new ATOM 0 HA CYS A 48 4.830 -3.499 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.016 -4.385 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.492 -5.171 -0.755 1.00 0.00 H new ATOM 714 N TYR A 49 4.484 -5.134 -3.675 1.00 0.00 N ATOM 715 CA TYR A 49 4.418 -5.916 -4.911 1.00 0.00 C ATOM 716 C TYR A 49 4.421 -7.354 -4.475 1.00 0.00 C ATOM 717 O TYR A 49 5.072 -7.742 -3.520 1.00 0.00 O ATOM 718 CB TYR A 49 5.646 -5.617 -5.840 1.00 0.00 C ATOM 719 CG TYR A 49 6.932 -5.018 -5.223 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.932 -3.875 -4.442 1.00 0.00 C ATOM 721 CD2 TYR A 49 8.135 -5.631 -5.496 1.00 0.00 C ATOM 722 CE1 TYR A 49 8.113 -3.363 -3.956 1.00 0.00 C ATOM 723 CE2 TYR A 49 9.308 -5.118 -5.011 1.00 0.00 C ATOM 724 CZ TYR A 49 9.301 -3.983 -4.242 1.00 0.00 C ATOM 725 OH TYR A 49 10.483 -3.472 -3.762 1.00 0.00 O ATOM 0 H TYR A 49 5.279 -5.349 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 49 3.529 -5.667 -5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.922 -6.551 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.308 -4.935 -6.620 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.999 -3.382 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.153 -6.526 -6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.104 -2.471 -3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.243 -5.610 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 49 11.228 -4.036 -4.059 1.00 0.00 H new ATOM 735 N ALA A 50 3.671 -8.096 -5.223 1.00 0.00 N ATOM 736 CA ALA A 50 3.494 -9.526 -5.032 1.00 0.00 C ATOM 737 C ALA A 50 3.094 -9.725 -3.569 1.00 0.00 C ATOM 738 O ALA A 50 3.814 -10.332 -2.805 1.00 0.00 O ATOM 739 CB ALA A 50 4.817 -10.157 -5.407 1.00 0.00 C ATOM 0 H ALA A 50 3.142 -7.726 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 50 2.717 -9.988 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.752 -11.238 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.051 -9.922 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.603 -9.766 -4.761 1.00 0.00 H new ATOM 745 N LEU A 51 1.963 -9.173 -3.202 1.00 0.00 N ATOM 746 CA LEU A 51 1.444 -9.308 -1.816 1.00 0.00 C ATOM 747 C LEU A 51 1.095 -10.835 -1.682 1.00 0.00 C ATOM 748 O LEU A 51 0.925 -11.466 -2.706 1.00 0.00 O ATOM 749 CB LEU A 51 0.177 -8.446 -1.736 1.00 0.00 C ATOM 750 CG LEU A 51 0.258 -6.956 -1.317 1.00 0.00 C ATOM 751 CD1 LEU A 51 1.228 -6.737 -0.181 1.00 0.00 C ATOM 752 CD2 LEU A 51 0.589 -6.106 -2.521 1.00 0.00 C ATOM 0 H LEU A 51 1.369 -8.624 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 51 2.133 -8.994 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.295 -8.478 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.502 -8.938 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.717 -6.651 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.252 -5.679 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.910 -7.316 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.224 -7.058 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.645 -5.059 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.548 -6.418 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.187 -6.227 -3.276 1.00 0.00 H new ATOM 764 N PRO A 52 0.945 -11.420 -0.516 1.00 0.00 N ATOM 765 CA PRO A 52 0.697 -12.900 -0.343 1.00 0.00 C ATOM 766 C PRO A 52 -0.794 -13.259 -0.540 1.00 0.00 C ATOM 767 O PRO A 52 -1.365 -14.110 0.120 1.00 0.00 O ATOM 768 CB PRO A 52 1.162 -13.161 1.042 1.00 0.00 C ATOM 769 CG PRO A 52 0.572 -11.876 1.742 1.00 0.00 C ATOM 770 CD PRO A 52 1.006 -10.731 0.794 1.00 0.00 C ATOM 0 HA PRO A 52 1.217 -13.511 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.761 -14.087 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.248 -13.222 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.512 -11.931 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.975 -11.743 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.332 -9.876 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.006 -10.362 1.021 1.00 0.00 H new ATOM 778 N ASP A 53 -1.317 -12.515 -1.459 1.00 0.00 N ATOM 779 CA ASP A 53 -2.723 -12.502 -1.987 1.00 0.00 C ATOM 780 C ASP A 53 -3.857 -12.302 -0.977 1.00 0.00 C ATOM 781 O ASP A 53 -4.964 -11.971 -1.368 1.00 0.00 O ATOM 782 CB ASP A 53 -3.062 -13.797 -2.790 1.00 0.00 C ATOM 783 CG ASP A 53 -2.897 -13.606 -4.301 1.00 0.00 C ATOM 784 OD1 ASP A 53 -2.994 -12.508 -4.834 1.00 0.00 O ATOM 785 OD2 ASP A 53 -2.666 -14.619 -4.925 1.00 0.00 O ATOM 0 H ASP A 53 -0.747 -11.815 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.696 -11.610 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.415 -14.608 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.087 -14.097 -2.574 1.00 0.00 H new ATOM 790 N ASN A 54 -3.570 -12.501 0.278 1.00 0.00 N ATOM 791 CA ASN A 54 -4.611 -12.328 1.347 1.00 0.00 C ATOM 792 C ASN A 54 -4.528 -10.922 1.967 1.00 0.00 C ATOM 793 O ASN A 54 -4.955 -10.692 3.083 1.00 0.00 O ATOM 794 CB ASN A 54 -4.375 -13.415 2.415 1.00 0.00 C ATOM 795 CG ASN A 54 -2.959 -13.250 2.980 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.654 -12.339 3.720 1.00 0.00 O ATOM 797 ND2 ASN A 54 -2.051 -14.113 2.641 1.00 0.00 N ATOM 0 H ASN A 54 -2.650 -12.779 0.620 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.609 -12.432 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.113 -13.327 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.494 -14.406 1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.100 -14.018 2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.289 -14.886 2.019 1.00 0.00 H new ATOM 804 N VAL A 55 -3.991 -10.012 1.200 1.00 0.00 N ATOM 805 CA VAL A 55 -3.844 -8.595 1.654 1.00 0.00 C ATOM 806 C VAL A 55 -4.811 -7.762 0.779 1.00 0.00 C ATOM 807 O VAL A 55 -4.519 -7.452 -0.365 1.00 0.00 O ATOM 808 CB VAL A 55 -2.370 -8.141 1.456 1.00 0.00 C ATOM 809 CG1 VAL A 55 -2.145 -6.730 1.947 1.00 0.00 C ATOM 810 CG2 VAL A 55 -1.564 -9.018 2.383 1.00 0.00 C ATOM 0 H VAL A 55 -3.641 -10.193 0.259 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.082 -8.471 2.710 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.108 -8.201 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.103 -6.452 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.790 -6.046 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.380 -6.673 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.508 -8.759 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.897 -8.866 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.703 -10.063 2.108 1.00 0.00 H new ATOM 820 N PRO A 56 -5.960 -7.433 1.318 1.00 0.00 N ATOM 821 CA PRO A 56 -6.937 -6.567 0.614 1.00 0.00 C ATOM 822 C PRO A 56 -6.567 -5.063 0.473 1.00 0.00 C ATOM 823 O PRO A 56 -7.072 -4.200 1.179 1.00 0.00 O ATOM 824 CB PRO A 56 -8.243 -6.817 1.378 1.00 0.00 C ATOM 825 CG PRO A 56 -7.840 -7.316 2.798 1.00 0.00 C ATOM 826 CD PRO A 56 -6.431 -7.906 2.658 1.00 0.00 C ATOM 0 HA PRO A 56 -6.991 -6.831 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.835 -5.904 1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.855 -7.559 0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.850 -6.496 3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.542 -8.066 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.774 -7.559 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.449 -8.995 2.711 1.00 0.00 H new ATOM 834 N ILE A 57 -5.671 -4.860 -0.473 1.00 0.00 N ATOM 835 CA ILE A 57 -5.120 -3.506 -0.845 1.00 0.00 C ATOM 836 C ILE A 57 -6.276 -2.554 -1.224 1.00 0.00 C ATOM 837 O ILE A 57 -7.434 -2.894 -1.072 1.00 0.00 O ATOM 838 CB ILE A 57 -4.107 -3.645 -2.067 1.00 0.00 C ATOM 839 CG1 ILE A 57 -4.897 -3.863 -3.378 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.065 -4.725 -1.870 1.00 0.00 C ATOM 841 CD1 ILE A 57 -5.897 -4.994 -3.333 1.00 0.00 C ATOM 0 H ILE A 57 -5.280 -5.619 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.586 -3.094 0.011 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.549 -2.711 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.423 -2.941 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.189 -4.054 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.411 -4.762 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.474 -4.503 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.559 -5.689 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.402 -5.071 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.379 -5.929 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.632 -4.799 -2.552 1.00 0.00 H new ATOM 853 N ARG A 58 -5.967 -1.370 -1.691 1.00 0.00 N ATOM 854 CA ARG A 58 -7.097 -0.442 -2.059 1.00 0.00 C ATOM 855 C ARG A 58 -7.179 -0.107 -3.532 1.00 0.00 C ATOM 856 O ARG A 58 -6.270 -0.382 -4.290 1.00 0.00 O ATOM 857 CB ARG A 58 -6.941 0.825 -1.178 1.00 0.00 C ATOM 858 CG ARG A 58 -8.066 0.859 -0.073 1.00 0.00 C ATOM 859 CD ARG A 58 -8.182 -0.503 0.698 1.00 0.00 C ATOM 860 NE ARG A 58 -8.039 -0.277 2.183 1.00 0.00 N ATOM 861 CZ ARG A 58 -8.645 -1.029 3.071 1.00 0.00 C ATOM 862 NH1 ARG A 58 -8.893 -2.285 2.787 1.00 0.00 N ATOM 863 NH2 ARG A 58 -8.963 -0.470 4.214 1.00 0.00 N ATOM 0 H ARG A 58 -5.023 -1.010 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.044 -0.945 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.958 0.831 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.003 1.719 -1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.852 1.659 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.023 1.093 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.144 -0.969 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.411 -1.192 0.352 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.449 0.489 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.615 -2.668 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.364 -2.879 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.738 0.511 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.435 -1.016 4.935 1.00 0.00 H new ATOM 877 N VAL A 59 -8.311 0.478 -3.843 1.00 0.00 N ATOM 878 CA VAL A 59 -8.706 0.917 -5.217 1.00 0.00 C ATOM 879 C VAL A 59 -9.225 2.368 -5.183 1.00 0.00 C ATOM 880 O VAL A 59 -9.254 2.958 -4.123 1.00 0.00 O ATOM 881 CB VAL A 59 -9.766 -0.130 -5.660 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.140 -1.501 -5.545 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.973 -0.074 -4.750 1.00 0.00 C ATOM 0 H VAL A 59 -9.026 0.681 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.884 0.945 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.083 0.079 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.863 -2.258 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.263 -1.556 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.842 -1.680 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.707 -0.813 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.667 -0.290 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.416 0.921 -4.794 1.00 0.00 H new ATOM 893 N PRO A 60 -9.616 2.904 -6.316 1.00 0.00 N ATOM 894 CA PRO A 60 -10.226 4.260 -6.414 1.00 0.00 C ATOM 895 C PRO A 60 -11.697 4.306 -5.978 1.00 0.00 C ATOM 896 O PRO A 60 -12.320 3.315 -5.645 1.00 0.00 O ATOM 897 CB PRO A 60 -10.086 4.665 -7.886 1.00 0.00 C ATOM 898 CG PRO A 60 -9.185 3.547 -8.508 1.00 0.00 C ATOM 899 CD PRO A 60 -9.484 2.294 -7.658 1.00 0.00 C ATOM 0 HA PRO A 60 -9.717 4.945 -5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.057 4.715 -8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.627 5.648 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.426 3.381 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.130 3.816 -8.462 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.395 1.786 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.679 1.561 -7.703 1.00 0.00 H new ATOM 907 N GLY A 61 -12.190 5.515 -6.016 1.00 0.00 N ATOM 908 CA GLY A 61 -13.597 5.792 -5.638 1.00 0.00 C ATOM 909 C GLY A 61 -13.632 6.925 -4.633 1.00 0.00 C ATOM 910 O GLY A 61 -14.154 7.984 -4.927 1.00 0.00 O ATOM 0 H GLY A 61 -11.660 6.338 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.178 6.057 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.054 4.899 -5.212 1.00 0.00 H new ATOM 914 N LYS A 62 -13.064 6.644 -3.491 1.00 0.00 N ATOM 915 CA LYS A 62 -12.959 7.580 -2.322 1.00 0.00 C ATOM 916 C LYS A 62 -12.518 6.867 -1.014 1.00 0.00 C ATOM 917 O LYS A 62 -13.257 6.095 -0.435 1.00 0.00 O ATOM 918 CB LYS A 62 -14.328 8.271 -2.081 1.00 0.00 C ATOM 919 CG LYS A 62 -15.482 7.293 -1.681 1.00 0.00 C ATOM 920 CD LYS A 62 -16.848 7.792 -2.238 1.00 0.00 C ATOM 921 CE LYS A 62 -16.994 7.437 -3.754 1.00 0.00 C ATOM 922 NZ LYS A 62 -17.549 8.578 -4.548 1.00 0.00 N ATOM 0 H LYS A 62 -12.637 5.736 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.192 8.312 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.212 9.017 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.617 8.804 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.270 6.296 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.535 7.211 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.663 7.339 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.928 8.871 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.020 7.156 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.646 6.570 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.629 8.299 -5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.489 8.830 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.915 9.398 -4.467 1.00 0.00 H new ATOM 936 N CYS A 63 -11.316 7.153 -0.583 1.00 0.00 N ATOM 937 CA CYS A 63 -10.770 6.539 0.671 1.00 0.00 C ATOM 938 C CYS A 63 -11.608 7.121 1.820 1.00 0.00 C ATOM 939 O CYS A 63 -12.079 8.239 1.710 1.00 0.00 O ATOM 940 CB CYS A 63 -9.306 6.971 0.873 1.00 0.00 C ATOM 941 SG CYS A 63 -8.826 7.402 2.569 1.00 0.00 S ATOM 0 H CYS A 63 -10.678 7.796 -1.053 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.812 5.451 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.660 6.164 0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.111 7.831 0.232 1.00 0.00 H new ATOM 946 N HIS A 64 -11.803 6.391 2.886 1.00 0.00 N ATOM 947 CA HIS A 64 -12.601 6.922 4.028 1.00 0.00 C ATOM 948 C HIS A 64 -12.243 6.055 5.256 1.00 0.00 C ATOM 949 O HIS A 64 -11.091 5.657 5.286 1.00 0.00 O ATOM 950 CB HIS A 64 -14.091 6.834 3.675 1.00 0.00 C ATOM 951 CG HIS A 64 -14.356 5.391 3.287 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.258 4.385 4.107 1.00 0.00 N ATOM 953 CD2 HIS A 64 -14.722 4.874 2.063 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.535 3.278 3.492 1.00 0.00 C ATOM 955 NE2 HIS A 64 -14.814 3.586 2.256 1.00 0.00 N ATOM 956 OXT HIS A 64 -13.106 5.823 6.090 1.00 0.00 O ATOM 0 H HIS A 64 -11.442 5.446 3.015 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.382 7.968 4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -14.709 7.128 4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.336 7.508 2.854 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.000 4.457 5.091 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.895 5.416 1.145 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.535 2.287 3.922 1.00 0.00 H new TER 965 HIS A 64