USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 318 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 Single : A 5 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.11) USER MOD Single : A 8 THR OG1 : rot -27:sc= 1.2 USER MOD Single : A 9 SER OG : rot 180:sc= 0.287! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 18 ASN : amide:sc=-0.00014 X(o=-0.00014,f=-0.00014) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.29 F(o=-2.7!,f=-1.3) USER MOD Single : B 4 GLN : amide:sc= -0.647 K(o=-0.65,f=-1.6) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 150:sc= -1.01 USER MOD Single : B 26 TYR OH : rot -15:sc= -0.208 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.326 2.649 1.786 1.00 0.00 N ATOM 11 CA ILE A 2 -5.033 2.386 1.168 1.00 0.00 C ATOM 12 C ILE A 2 -4.577 3.572 0.329 1.00 0.00 C ATOM 13 O ILE A 2 -3.540 4.178 0.598 1.00 0.00 O ATOM 14 CB ILE A 2 -5.080 1.131 0.282 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.685 -0.045 1.053 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.687 0.781 -0.224 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.187 -0.159 0.903 1.00 0.00 C ATOM 0 HA ILE A 2 -4.321 2.222 1.977 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.714 1.340 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.223 -0.970 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.441 0.060 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.740 -0.110 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.293 1.612 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.029 0.590 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.546 -1.014 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.660 0.751 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.438 -0.296 -0.149 1.00 0.00 H new ATOM 29 N VAL A 3 -5.363 3.897 -0.691 1.00 0.00 N ATOM 30 CA VAL A 3 -5.046 5.012 -1.579 1.00 0.00 C ATOM 31 C VAL A 3 -4.852 6.307 -0.801 1.00 0.00 C ATOM 32 O VAL A 3 -3.750 6.846 -0.744 1.00 0.00 O ATOM 33 CB VAL A 3 -6.134 5.233 -2.656 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.815 4.424 -3.900 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.519 4.883 -2.131 1.00 0.00 C ATOM 0 H VAL A 3 -6.225 3.405 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.114 4.742 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.138 6.292 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.589 4.589 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.850 4.736 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.777 3.365 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.258 5.050 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.540 3.836 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.752 5.512 -1.272 1.00 0.00 H new ATOM 45 N GLU A 4 -5.928 6.801 -0.202 1.00 0.00 N ATOM 46 CA GLU A 4 -5.886 8.039 0.578 1.00 0.00 C ATOM 47 C GLU A 4 -4.638 8.106 1.461 1.00 0.00 C ATOM 48 O GLU A 4 -4.139 9.190 1.763 1.00 0.00 O ATOM 49 CB GLU A 4 -7.141 8.160 1.444 1.00 0.00 C ATOM 50 CG GLU A 4 -8.433 7.939 0.673 1.00 0.00 C ATOM 51 CD GLU A 4 -9.509 8.942 1.039 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.453 9.493 2.157 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.409 9.176 0.204 1.00 0.00 O ATOM 0 H GLU A 4 -6.848 6.362 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.847 8.871 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.083 7.436 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.164 9.150 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.230 8.004 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.800 6.931 0.867 1.00 0.00 H new ATOM 60 N GLN A 5 -4.143 6.943 1.871 1.00 0.00 N ATOM 61 CA GLN A 5 -2.959 6.872 2.718 1.00 0.00 C ATOM 62 C GLN A 5 -1.681 7.040 1.900 1.00 0.00 C ATOM 63 O GLN A 5 -0.977 8.042 2.031 1.00 0.00 O ATOM 64 CB GLN A 5 -2.924 5.538 3.465 1.00 0.00 C ATOM 65 CG GLN A 5 -1.795 5.434 4.476 1.00 0.00 C ATOM 66 CD GLN A 5 -1.855 6.522 5.531 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.867 7.210 5.786 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.018 6.680 6.152 1.00 0.00 N ATOM 0 H GLN A 5 -4.544 6.037 1.630 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.014 7.689 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.874 5.394 3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.827 4.729 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.836 4.459 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.839 5.491 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.811 6.087 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.118 7.395 6.873 1.00 0.00 H new ATOM 77 N CYS A 6 -1.381 6.051 1.062 1.00 0.00 N ATOM 78 CA CYS A 6 -0.181 6.088 0.231 1.00 0.00 C ATOM 79 C CYS A 6 -0.250 7.216 -0.794 1.00 0.00 C ATOM 80 O CYS A 6 0.731 7.927 -1.012 1.00 0.00 O ATOM 81 CB CYS A 6 0.015 4.747 -0.482 1.00 0.00 C ATOM 82 SG CYS A 6 0.722 3.440 0.572 1.00 0.00 S ATOM 0 H CYS A 6 -1.952 5.215 0.941 1.00 0.00 H new ATOM 0 HA CYS A 6 0.670 6.274 0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.947 4.408 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.667 4.897 -1.343 1.00 0.00 H new ATOM 87 N CYS A 7 -1.413 7.371 -1.422 1.00 0.00 N ATOM 88 CA CYS A 7 -1.617 8.412 -2.431 1.00 0.00 C ATOM 89 C CYS A 7 -1.011 9.741 -1.986 1.00 0.00 C ATOM 90 O CYS A 7 -0.538 10.525 -2.808 1.00 0.00 O ATOM 91 CB CYS A 7 -3.110 8.586 -2.719 1.00 0.00 C ATOM 92 SG CYS A 7 -3.475 9.761 -4.063 1.00 0.00 S ATOM 0 H CYS A 7 -2.232 6.788 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.111 8.098 -3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.536 7.615 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.608 8.924 -1.810 1.00 0.00 H new ATOM 97 N THR A 8 -1.018 9.980 -0.679 1.00 0.00 N ATOM 98 CA THR A 8 -0.456 11.206 -0.126 1.00 0.00 C ATOM 99 C THR A 8 1.041 11.040 0.103 1.00 0.00 C ATOM 100 O THR A 8 1.477 10.083 0.743 1.00 0.00 O ATOM 101 CB THR A 8 -1.153 11.570 1.186 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.820 10.645 2.205 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.662 11.605 1.074 1.00 0.00 C ATOM 0 H THR A 8 -1.406 9.342 0.016 1.00 0.00 H new ATOM 0 HA THR A 8 -0.616 12.014 -0.840 1.00 0.00 H new ATOM 0 HB THR A 8 -0.800 12.572 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.598 9.780 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.092 11.869 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.955 12.347 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.027 10.624 0.770 1.00 0.00 H new ATOM 111 N SER A 9 1.827 11.970 -0.428 1.00 0.00 N ATOM 112 CA SER A 9 3.276 11.914 -0.284 1.00 0.00 C ATOM 113 C SER A 9 3.825 10.646 -0.938 1.00 0.00 C ATOM 114 O SER A 9 3.162 10.036 -1.776 1.00 0.00 O ATOM 115 CB SER A 9 3.656 11.962 1.198 1.00 0.00 C ATOM 116 OG SER A 9 5.061 11.899 1.371 1.00 0.00 O ATOM 0 H SER A 9 1.486 12.770 -0.961 1.00 0.00 H new ATOM 0 HA SER A 9 3.715 12.776 -0.785 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.273 12.880 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.185 11.131 1.724 1.00 0.00 H new ATOM 0 HG SER A 9 5.275 11.933 2.327 1.00 0.00 H new ATOM 122 N ILE A 10 5.036 10.252 -0.555 1.00 0.00 N ATOM 123 CA ILE A 10 5.661 9.055 -1.112 1.00 0.00 C ATOM 124 C ILE A 10 5.536 7.890 -0.144 1.00 0.00 C ATOM 125 O ILE A 10 6.146 7.892 0.925 1.00 0.00 O ATOM 126 CB ILE A 10 7.161 9.262 -1.455 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.635 10.664 -1.060 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.400 9.020 -2.938 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.870 11.769 -1.747 1.00 0.00 C ATOM 0 H ILE A 10 5.603 10.742 0.137 1.00 0.00 H new ATOM 0 HA ILE A 10 5.131 8.838 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 10 7.740 8.540 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.539 10.782 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.694 10.762 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.456 9.168 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.114 7.999 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.801 9.719 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.256 12.735 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.987 11.676 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.814 11.695 -1.489 1.00 0.00 H new ATOM 141 N CYS A 11 4.741 6.897 -0.518 1.00 0.00 N ATOM 142 CA CYS A 11 4.544 5.735 0.333 1.00 0.00 C ATOM 143 C CYS A 11 5.725 4.777 0.231 1.00 0.00 C ATOM 144 O CYS A 11 6.218 4.495 -0.860 1.00 0.00 O ATOM 145 CB CYS A 11 3.254 5.001 -0.035 1.00 0.00 C ATOM 146 SG CYS A 11 2.362 4.310 1.396 1.00 0.00 S ATOM 0 H CYS A 11 4.226 6.873 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 11 4.467 6.091 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.594 5.689 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.492 4.193 -0.727 1.00 0.00 H new ATOM 151 N SER A 12 6.165 4.272 1.377 1.00 0.00 N ATOM 152 CA SER A 12 7.277 3.334 1.420 1.00 0.00 C ATOM 153 C SER A 12 6.758 1.904 1.355 1.00 0.00 C ATOM 154 O SER A 12 5.910 1.512 2.147 1.00 0.00 O ATOM 155 CB SER A 12 8.098 3.535 2.695 1.00 0.00 C ATOM 156 OG SER A 12 9.017 4.604 2.547 1.00 0.00 O ATOM 0 H SER A 12 5.768 4.497 2.289 1.00 0.00 H new ATOM 0 HA SER A 12 7.920 3.519 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.431 3.738 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.637 2.618 2.932 1.00 0.00 H new ATOM 0 HG SER A 12 9.528 4.713 3.376 1.00 0.00 H new ATOM 162 N LEU A 13 7.269 1.132 0.404 1.00 0.00 N ATOM 163 CA LEU A 13 6.852 -0.260 0.227 1.00 0.00 C ATOM 164 C LEU A 13 6.681 -0.962 1.560 1.00 0.00 C ATOM 165 O LEU A 13 5.765 -1.762 1.744 1.00 0.00 O ATOM 166 CB LEU A 13 7.877 -1.005 -0.615 1.00 0.00 C ATOM 167 CG LEU A 13 8.167 -0.369 -1.972 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.970 0.442 -2.452 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.407 0.506 -1.893 1.00 0.00 C ATOM 0 H LEU A 13 7.976 1.445 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 13 5.888 -0.258 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.809 -1.073 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.526 -2.024 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 13 8.351 -1.166 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.197 0.887 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.103 -0.211 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.753 1.231 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.600 0.952 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.249 1.295 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.262 -0.101 -1.596 1.00 0.00 H new ATOM 181 N TYR A 14 7.561 -0.641 2.495 1.00 0.00 N ATOM 182 CA TYR A 14 7.495 -1.229 3.825 1.00 0.00 C ATOM 183 C TYR A 14 6.085 -1.071 4.376 1.00 0.00 C ATOM 184 O TYR A 14 5.545 -1.968 5.023 1.00 0.00 O ATOM 185 CB TYR A 14 8.505 -0.559 4.757 1.00 0.00 C ATOM 186 CG TYR A 14 8.543 -1.168 6.139 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.649 -2.542 6.309 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.473 -0.369 7.272 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.683 -3.104 7.571 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.507 -0.922 8.538 1.00 0.00 C ATOM 191 CZ TYR A 14 8.612 -2.290 8.682 1.00 0.00 C ATOM 192 OH TYR A 14 8.646 -2.845 9.941 1.00 0.00 O ATOM 0 H TYR A 14 8.326 0.020 2.360 1.00 0.00 H new ATOM 0 HA TYR A 14 7.742 -2.289 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.498 -0.625 4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.263 0.500 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.706 -3.182 5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.391 0.702 7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.765 -4.175 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.452 -0.287 9.410 1.00 0.00 H new ATOM 0 HH TYR A 14 8.587 -2.134 10.613 1.00 0.00 H new ATOM 202 N GLN A 15 5.485 0.072 4.072 1.00 0.00 N ATOM 203 CA GLN A 15 4.124 0.362 4.494 1.00 0.00 C ATOM 204 C GLN A 15 3.149 -0.256 3.508 1.00 0.00 C ATOM 205 O GLN A 15 2.085 -0.745 3.887 1.00 0.00 O ATOM 206 CB GLN A 15 3.900 1.873 4.585 1.00 0.00 C ATOM 207 CG GLN A 15 4.950 2.598 5.411 1.00 0.00 C ATOM 208 CD GLN A 15 4.371 3.751 6.206 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.416 3.581 6.962 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.950 4.935 6.037 1.00 0.00 N ATOM 0 H GLN A 15 5.924 0.817 3.531 1.00 0.00 H new ATOM 0 HA GLN A 15 3.958 -0.066 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.890 2.291 3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.917 2.060 5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.422 1.891 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.732 2.973 4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.740 5.030 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.604 5.749 6.545 1.00 0.00 H new ATOM 219 N LEU A 16 3.539 -0.251 2.239 1.00 0.00 N ATOM 220 CA LEU A 16 2.721 -0.833 1.191 1.00 0.00 C ATOM 221 C LEU A 16 2.590 -2.338 1.410 1.00 0.00 C ATOM 222 O LEU A 16 1.679 -2.975 0.881 1.00 0.00 O ATOM 223 CB LEU A 16 3.332 -0.548 -0.182 1.00 0.00 C ATOM 224 CG LEU A 16 2.320 -0.408 -1.321 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.618 0.938 -1.253 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.001 -0.585 -2.667 1.00 0.00 C ATOM 0 H LEU A 16 4.418 0.151 1.914 1.00 0.00 H new ATOM 0 HA LEU A 16 1.729 -0.382 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.916 0.370 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.026 -1.352 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 16 1.571 -1.192 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.903 1.017 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.092 1.027 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.355 1.737 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.264 -0.482 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.774 0.175 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.454 -1.575 -2.718 1.00 0.00 H new ATOM 238 N GLU A 17 3.502 -2.898 2.207 1.00 0.00 N ATOM 239 CA GLU A 17 3.479 -4.322 2.510 1.00 0.00 C ATOM 240 C GLU A 17 2.384 -4.635 3.526 1.00 0.00 C ATOM 241 O GLU A 17 2.052 -5.798 3.755 1.00 0.00 O ATOM 242 CB GLU A 17 4.838 -4.774 3.049 1.00 0.00 C ATOM 243 CG GLU A 17 4.995 -6.284 3.119 1.00 0.00 C ATOM 244 CD GLU A 17 5.630 -6.746 4.415 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.898 -6.884 5.419 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.858 -6.970 4.428 1.00 0.00 O ATOM 0 H GLU A 17 4.263 -2.384 2.652 1.00 0.00 H new ATOM 0 HA GLU A 17 3.267 -4.865 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.625 -4.365 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.981 -4.356 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.017 -6.752 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.604 -6.621 2.280 1.00 0.00 H new ATOM 253 N ASN A 18 1.821 -3.587 4.128 1.00 0.00 N ATOM 254 CA ASN A 18 0.757 -3.756 5.114 1.00 0.00 C ATOM 255 C ASN A 18 -0.609 -3.893 4.439 1.00 0.00 C ATOM 256 O ASN A 18 -1.643 -3.868 5.107 1.00 0.00 O ATOM 257 CB ASN A 18 0.741 -2.574 6.084 1.00 0.00 C ATOM 258 CG ASN A 18 0.173 -2.947 7.440 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.974 -2.630 7.754 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.977 -3.624 8.252 1.00 0.00 N ATOM 0 H ASN A 18 2.083 -2.617 3.950 1.00 0.00 H new ATOM 0 HA ASN A 18 0.958 -4.673 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.756 -2.197 6.209 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.150 -1.764 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.651 -3.902 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.921 -3.866 7.950 1.00 0.00 H new ATOM 267 N TYR A 19 -0.608 -4.041 3.115 1.00 0.00 N ATOM 268 CA TYR A 19 -1.846 -4.186 2.361 1.00 0.00 C ATOM 269 C TYR A 19 -1.965 -5.588 1.767 1.00 0.00 C ATOM 270 O TYR A 19 -2.984 -5.932 1.167 1.00 0.00 O ATOM 271 CB TYR A 19 -1.906 -3.146 1.238 1.00 0.00 C ATOM 272 CG TYR A 19 -1.908 -1.716 1.726 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.965 -1.218 2.476 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.851 -0.862 1.434 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.971 0.090 2.920 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.849 0.448 1.875 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.911 0.918 2.618 1.00 0.00 C ATOM 278 OH TYR A 19 -1.912 2.222 3.059 1.00 0.00 O ATOM 0 H TYR A 19 0.238 -4.063 2.545 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.678 -4.028 3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.053 -3.292 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.804 -3.318 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.796 -1.864 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.017 -1.228 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.802 0.462 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.021 1.099 1.639 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.092 2.669 2.761 1.00 0.00 H new ATOM 288 N CYS A 20 -0.917 -6.393 1.930 1.00 0.00 N ATOM 289 CA CYS A 20 -0.911 -7.752 1.402 1.00 0.00 C ATOM 290 C CYS A 20 -1.937 -8.620 2.124 1.00 0.00 C ATOM 291 O CYS A 20 -1.940 -8.706 3.353 1.00 0.00 O ATOM 292 CB CYS A 20 0.485 -8.377 1.521 1.00 0.00 C ATOM 293 SG CYS A 20 1.858 -7.216 1.215 1.00 0.00 S ATOM 0 H CYS A 20 -0.064 -6.127 2.422 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.181 -7.701 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.597 -8.798 2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.561 -9.204 0.816 1.00 0.00 H new ATOM 298 N ASN A 21 -2.807 -9.258 1.350 1.00 0.00 N ATOM 299 CA ASN A 21 -3.845 -10.119 1.901 1.00 0.00 C ATOM 300 C ASN A 21 -4.173 -11.249 0.927 1.00 0.00 C ATOM 301 O ASN A 21 -3.580 -11.346 -0.147 1.00 0.00 O ATOM 302 CB ASN A 21 -5.103 -9.292 2.204 1.00 0.00 C ATOM 303 CG ASN A 21 -6.338 -10.150 2.420 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.899 -10.660 1.328 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -6.781 -10.349 3.550 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -4.881 -12.196 1.345 1.00 0.00 O ATOM 0 H ASN A 21 -2.813 -9.194 0.332 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.481 -10.561 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.928 -8.686 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.286 -8.603 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.317 -9.937 4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.612 -10.926 3.678 1.00 0.00 H new ATOM 366 N GLN B 4 7.820 9.026 -5.643 1.00 0.00 N ATOM 367 CA GLN B 4 6.531 8.642 -6.192 1.00 0.00 C ATOM 368 C GLN B 4 5.371 9.188 -5.356 1.00 0.00 C ATOM 369 O GLN B 4 5.547 10.103 -4.550 1.00 0.00 O ATOM 370 CB GLN B 4 6.451 7.116 -6.289 1.00 0.00 C ATOM 371 CG GLN B 4 6.630 6.404 -4.957 1.00 0.00 C ATOM 372 CD GLN B 4 7.160 4.993 -5.118 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.814 4.292 -6.069 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.005 4.568 -4.185 1.00 0.00 N ATOM 0 HA GLN B 4 6.442 9.076 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.485 6.839 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.215 6.765 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.315 6.977 -4.332 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.674 6.372 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.265 5.183 -3.414 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.394 3.627 -4.240 1.00 0.00 H new ATOM 383 N ALA B 5 4.183 8.625 -5.562 1.00 0.00 N ATOM 384 CA ALA B 5 2.988 9.048 -4.837 1.00 0.00 C ATOM 385 C ALA B 5 2.159 7.844 -4.420 1.00 0.00 C ATOM 386 O ALA B 5 1.714 7.741 -3.277 1.00 0.00 O ATOM 387 CB ALA B 5 2.149 9.969 -5.702 1.00 0.00 C ATOM 0 H ALA B 5 4.022 7.870 -6.229 1.00 0.00 H new ATOM 0 HA ALA B 5 3.304 9.584 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.261 10.277 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.734 10.849 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA B 5 1.849 9.443 -6.608 1.00 0.00 H new ATOM 393 N LEU B 6 1.958 6.941 -5.371 1.00 0.00 N ATOM 394 CA LEU B 6 1.188 5.725 -5.154 1.00 0.00 C ATOM 395 C LEU B 6 -0.302 6.013 -5.047 1.00 0.00 C ATOM 396 O LEU B 6 -0.874 6.018 -3.957 1.00 0.00 O ATOM 397 CB LEU B 6 1.679 4.975 -3.913 1.00 0.00 C ATOM 398 CG LEU B 6 2.808 3.980 -4.177 1.00 0.00 C ATOM 399 CD1 LEU B 6 2.256 2.714 -4.807 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.865 4.602 -5.077 1.00 0.00 C ATOM 0 H LEU B 6 2.326 7.033 -6.318 1.00 0.00 H new ATOM 0 HA LEU B 6 1.342 5.088 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.018 5.702 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.838 4.441 -3.471 1.00 0.00 H new ATOM 0 HG LEU B 6 3.273 3.722 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.071 2.013 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.530 2.259 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.770 2.960 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.662 3.880 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.413 4.885 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.279 5.487 -4.594 1.00 0.00 H new ATOM 412 N CYS B 7 -0.924 6.235 -6.198 1.00 0.00 N ATOM 413 CA CYS B 7 -2.354 6.510 -6.262 1.00 0.00 C ATOM 414 C CYS B 7 -2.986 5.777 -7.441 1.00 0.00 C ATOM 415 O CYS B 7 -2.416 5.726 -8.531 1.00 0.00 O ATOM 416 CB CYS B 7 -2.607 8.013 -6.387 1.00 0.00 C ATOM 417 SG CYS B 7 -4.137 8.579 -5.574 1.00 0.00 S ATOM 0 H CYS B 7 -0.457 6.230 -7.105 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.811 6.153 -5.339 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.761 8.550 -5.959 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.651 8.277 -7.444 1.00 0.00 H new ATOM 422 N GLY B 8 -4.165 5.208 -7.215 1.00 0.00 N ATOM 423 CA GLY B 8 -4.851 4.482 -8.266 1.00 0.00 C ATOM 424 C GLY B 8 -4.183 3.158 -8.589 1.00 0.00 C ATOM 425 O GLY B 8 -4.031 2.304 -7.715 1.00 0.00 O ATOM 0 H GLY B 8 -4.658 5.237 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.883 4.301 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.885 5.097 -9.165 1.00 0.00 H new ATOM 429 N SER B 9 -3.782 2.987 -9.844 1.00 0.00 N ATOM 430 CA SER B 9 -3.125 1.759 -10.279 1.00 0.00 C ATOM 431 C SER B 9 -1.678 1.713 -9.796 1.00 0.00 C ATOM 432 O SER B 9 -1.097 0.637 -9.650 1.00 0.00 O ATOM 433 CB SER B 9 -3.170 1.642 -11.804 1.00 0.00 C ATOM 434 OG SER B 9 -4.315 0.922 -12.227 1.00 0.00 O ATOM 0 H SER B 9 -3.900 3.684 -10.579 1.00 0.00 H new ATOM 0 HA SER B 9 -3.662 0.917 -9.841 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.178 2.637 -12.248 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.270 1.141 -12.160 1.00 0.00 H new ATOM 0 HG SER B 9 -4.321 0.863 -13.205 1.00 0.00 H new ATOM 440 N ASP B 10 -1.098 2.885 -9.546 1.00 0.00 N ATOM 441 CA ASP B 10 0.281 2.972 -9.074 1.00 0.00 C ATOM 442 C ASP B 10 0.493 2.087 -7.852 1.00 0.00 C ATOM 443 O ASP B 10 1.607 1.635 -7.587 1.00 0.00 O ATOM 444 CB ASP B 10 0.637 4.423 -8.742 1.00 0.00 C ATOM 445 CG ASP B 10 1.394 5.103 -9.867 1.00 0.00 C ATOM 446 OD1 ASP B 10 2.187 4.419 -10.547 1.00 0.00 O ATOM 447 OD2 ASP B 10 1.192 6.319 -10.067 1.00 0.00 O ATOM 0 H ASP B 10 -1.561 3.786 -9.662 1.00 0.00 H new ATOM 0 HA ASP B 10 0.937 2.620 -9.870 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.276 4.980 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.240 4.448 -7.834 1.00 0.00 H new ATOM 452 N LEU B 11 -0.582 1.837 -7.114 1.00 0.00 N ATOM 453 CA LEU B 11 -0.511 0.999 -5.926 1.00 0.00 C ATOM 454 C LEU B 11 -0.377 -0.462 -6.304 1.00 0.00 C ATOM 455 O LEU B 11 0.678 -1.056 -6.114 1.00 0.00 O ATOM 456 CB LEU B 11 -1.742 1.201 -5.051 1.00 0.00 C ATOM 457 CG LEU B 11 -1.715 2.462 -4.193 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.127 2.956 -3.947 1.00 0.00 C ATOM 459 CD2 LEU B 11 -0.998 2.199 -2.876 1.00 0.00 C ATOM 0 H LEU B 11 -1.512 2.203 -7.318 1.00 0.00 H new ATOM 0 HA LEU B 11 0.373 1.294 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.624 1.232 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.852 0.336 -4.397 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.165 3.237 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.096 3.856 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.604 3.183 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.698 2.184 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.989 3.110 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.518 1.412 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.027 1.886 -3.076 1.00 0.00 H new ATOM 471 N VAL B 12 -1.449 -1.035 -6.844 1.00 0.00 N ATOM 472 CA VAL B 12 -1.450 -2.433 -7.253 1.00 0.00 C ATOM 473 C VAL B 12 -0.132 -2.819 -7.904 1.00 0.00 C ATOM 474 O VAL B 12 0.435 -3.872 -7.611 1.00 0.00 O ATOM 475 CB VAL B 12 -2.592 -2.725 -8.236 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.925 -2.791 -7.508 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.632 -1.682 -9.339 1.00 0.00 C ATOM 0 H VAL B 12 -2.331 -0.549 -7.008 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.592 -3.025 -6.349 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.407 -3.697 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.720 -2.999 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.893 -3.584 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.119 -1.837 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.449 -1.908 -10.024 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.788 -0.696 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.688 -1.692 -9.884 1.00 0.00 H new ATOM 487 N GLU B 13 0.362 -1.950 -8.773 1.00 0.00 N ATOM 488 CA GLU B 13 1.622 -2.192 -9.449 1.00 0.00 C ATOM 489 C GLU B 13 2.744 -2.316 -8.431 1.00 0.00 C ATOM 490 O GLU B 13 3.524 -3.273 -8.454 1.00 0.00 O ATOM 491 CB GLU B 13 1.922 -1.060 -10.430 1.00 0.00 C ATOM 492 CG GLU B 13 1.071 -1.101 -11.688 1.00 0.00 C ATOM 493 CD GLU B 13 1.830 -0.651 -12.922 1.00 0.00 C ATOM 494 OE1 GLU B 13 2.888 -1.246 -13.218 1.00 0.00 O ATOM 495 OE2 GLU B 13 1.366 0.295 -13.591 1.00 0.00 O ATOM 0 H GLU B 13 -0.092 -1.072 -9.025 1.00 0.00 H new ATOM 0 HA GLU B 13 1.548 -3.126 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.767 -0.105 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.974 -1.105 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.705 -2.116 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.197 -0.464 -11.552 1.00 0.00 H new ATOM 502 N ALA B 14 2.804 -1.354 -7.521 1.00 0.00 N ATOM 503 CA ALA B 14 3.821 -1.363 -6.481 1.00 0.00 C ATOM 504 C ALA B 14 3.410 -2.273 -5.329 1.00 0.00 C ATOM 505 O ALA B 14 4.196 -2.520 -4.415 1.00 0.00 O ATOM 506 CB ALA B 14 4.075 0.052 -5.982 1.00 0.00 C ATOM 0 H ALA B 14 2.163 -0.561 -7.482 1.00 0.00 H new ATOM 0 HA ALA B 14 4.745 -1.754 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.838 0.032 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.417 0.674 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.152 0.465 -5.575 1.00 0.00 H new ATOM 512 N LEU B 15 2.169 -2.753 -5.374 1.00 0.00 N ATOM 513 CA LEU B 15 1.642 -3.619 -4.336 1.00 0.00 C ATOM 514 C LEU B 15 1.895 -5.090 -4.641 1.00 0.00 C ATOM 515 O LEU B 15 2.579 -5.778 -3.886 1.00 0.00 O ATOM 516 CB LEU B 15 0.146 -3.375 -4.159 1.00 0.00 C ATOM 517 CG LEU B 15 -0.288 -2.998 -2.744 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.761 -3.292 -2.566 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.530 -3.745 -1.700 1.00 0.00 C ATOM 0 H LEU B 15 1.510 -2.552 -6.126 1.00 0.00 H new ATOM 0 HA LEU B 15 2.164 -3.377 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.159 -2.580 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.391 -4.275 -4.459 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.114 -1.931 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.066 -3.022 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.337 -2.712 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.942 -4.355 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.198 -3.456 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.394 -4.819 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.585 -3.496 -1.818 1.00 0.00 H new ATOM 531 N TYR B 16 1.333 -5.590 -5.738 1.00 0.00 N ATOM 532 CA TYR B 16 1.522 -6.987 -6.078 1.00 0.00 C ATOM 533 C TYR B 16 3.001 -7.312 -6.235 1.00 0.00 C ATOM 534 O TYR B 16 3.404 -8.469 -6.117 1.00 0.00 O ATOM 535 CB TYR B 16 0.742 -7.385 -7.333 1.00 0.00 C ATOM 536 CG TYR B 16 0.945 -6.522 -8.556 1.00 0.00 C ATOM 537 CD1 TYR B 16 2.208 -6.294 -9.087 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.149 -5.966 -9.202 1.00 0.00 C ATOM 539 CE1 TYR B 16 2.369 -5.526 -10.227 1.00 0.00 C ATOM 540 CE2 TYR B 16 0.003 -5.205 -10.342 1.00 0.00 C ATOM 541 CZ TYR B 16 1.263 -4.988 -10.851 1.00 0.00 C ATOM 542 OH TYR B 16 1.422 -4.230 -11.989 1.00 0.00 O ATOM 0 H TYR B 16 0.756 -5.059 -6.390 1.00 0.00 H new ATOM 0 HA TYR B 16 1.124 -7.575 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.010 -8.410 -7.590 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.320 -7.385 -7.088 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.075 -6.721 -8.605 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.139 -6.132 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.357 -5.349 -10.626 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.861 -4.782 -10.832 1.00 0.00 H new ATOM 0 HH TYR B 16 0.629 -4.323 -12.558 1.00 0.00 H new ATOM 552 N LEU B 17 3.813 -6.288 -6.489 1.00 0.00 N ATOM 553 CA LEU B 17 5.243 -6.493 -6.641 1.00 0.00 C ATOM 554 C LEU B 17 5.933 -6.552 -5.279 1.00 0.00 C ATOM 555 O LEU B 17 6.888 -7.304 -5.089 1.00 0.00 O ATOM 556 CB LEU B 17 5.852 -5.390 -7.507 1.00 0.00 C ATOM 557 CG LEU B 17 6.502 -5.874 -8.806 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.544 -6.762 -9.592 1.00 0.00 C ATOM 559 CD2 LEU B 17 6.946 -4.690 -9.649 1.00 0.00 C ATOM 0 H LEU B 17 3.506 -5.321 -6.592 1.00 0.00 H new ATOM 0 HA LEU B 17 5.399 -7.450 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.072 -4.670 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.601 -4.859 -6.919 1.00 0.00 H new ATOM 0 HG LEU B 17 7.381 -6.466 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.027 -7.094 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.275 -7.630 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.644 -6.198 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.406 -5.051 -10.569 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.081 -4.073 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.669 -4.096 -9.090 1.00 0.00 H new ATOM 571 N VAL B 18 5.435 -5.760 -4.329 1.00 0.00 N ATOM 572 CA VAL B 18 6.002 -5.736 -2.982 1.00 0.00 C ATOM 573 C VAL B 18 5.614 -6.986 -2.206 1.00 0.00 C ATOM 574 O VAL B 18 6.431 -7.566 -1.491 1.00 0.00 O ATOM 575 CB VAL B 18 5.543 -4.501 -2.178 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.239 -3.247 -2.676 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.039 -4.341 -2.241 1.00 0.00 C ATOM 0 H VAL B 18 4.645 -5.130 -4.467 1.00 0.00 H new ATOM 0 HA VAL B 18 7.084 -5.693 -3.108 1.00 0.00 H new ATOM 0 HB VAL B 18 5.821 -4.655 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.901 -2.388 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.317 -3.360 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.999 -3.091 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.742 -3.464 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.729 -4.217 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.561 -5.227 -1.823 1.00 0.00 H new ATOM 587 N CYS B 19 4.360 -7.396 -2.353 1.00 0.00 N ATOM 588 CA CYS B 19 3.860 -8.577 -1.666 1.00 0.00 C ATOM 589 C CYS B 19 4.216 -9.842 -2.434 1.00 0.00 C ATOM 590 O CYS B 19 4.958 -10.691 -1.943 1.00 0.00 O ATOM 591 CB CYS B 19 2.348 -8.479 -1.487 1.00 0.00 C ATOM 592 SG CYS B 19 1.783 -6.897 -0.788 1.00 0.00 S ATOM 0 H CYS B 19 3.672 -6.927 -2.942 1.00 0.00 H new ATOM 0 HA CYS B 19 4.332 -8.628 -0.685 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.868 -8.628 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.017 -9.290 -0.838 1.00 0.00 H new ATOM 597 N GLY B 20 3.683 -9.954 -3.642 1.00 0.00 N ATOM 598 CA GLY B 20 3.954 -11.115 -4.467 1.00 0.00 C ATOM 599 C GLY B 20 3.501 -12.407 -3.816 1.00 0.00 C ATOM 600 O GLY B 20 4.041 -12.812 -2.786 1.00 0.00 O ATOM 0 H GLY B 20 3.067 -9.261 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.451 -11.000 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.023 -11.170 -4.671 1.00 0.00 H new ATOM 604 N GLU B 21 2.505 -13.054 -4.422 1.00 0.00 N ATOM 605 CA GLU B 21 1.962 -14.314 -3.913 1.00 0.00 C ATOM 606 C GLU B 21 0.914 -14.083 -2.823 1.00 0.00 C ATOM 607 O GLU B 21 0.137 -14.983 -2.506 1.00 0.00 O ATOM 608 CB GLU B 21 3.081 -15.218 -3.382 1.00 0.00 C ATOM 609 CG GLU B 21 2.967 -16.660 -3.847 1.00 0.00 C ATOM 610 CD GLU B 21 4.318 -17.331 -3.998 1.00 0.00 C ATOM 611 OE1 GLU B 21 5.246 -16.975 -3.241 1.00 0.00 O ATOM 612 OE2 GLU B 21 4.450 -18.213 -4.872 1.00 0.00 O ATOM 0 H GLU B 21 2.054 -12.722 -5.275 1.00 0.00 H new ATOM 0 HA GLU B 21 1.473 -14.811 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.043 -14.817 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.070 -15.194 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.364 -17.222 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.442 -16.690 -4.802 1.00 0.00 H new ATOM 619 N ARG B 22 0.887 -12.880 -2.251 1.00 0.00 N ATOM 620 CA ARG B 22 -0.076 -12.561 -1.206 1.00 0.00 C ATOM 621 C ARG B 22 -1.461 -12.326 -1.796 1.00 0.00 C ATOM 622 O ARG B 22 -2.410 -13.049 -1.493 1.00 0.00 O ATOM 623 CB ARG B 22 0.379 -11.327 -0.426 1.00 0.00 C ATOM 624 CG ARG B 22 1.190 -11.657 0.817 1.00 0.00 C ATOM 625 CD ARG B 22 2.681 -11.463 0.583 1.00 0.00 C ATOM 626 NE ARG B 22 3.481 -11.969 1.696 1.00 0.00 N ATOM 627 CZ ARG B 22 4.807 -12.078 1.667 1.00 0.00 C ATOM 628 NH1 ARG B 22 5.486 -11.715 0.585 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.457 -12.547 2.724 1.00 0.00 N ATOM 0 H ARG B 22 1.518 -12.116 -2.494 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.133 -13.410 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.976 -10.693 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.497 -10.748 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.866 -11.023 1.642 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.999 -12.689 1.113 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.973 -11.973 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.890 -10.403 0.439 1.00 0.00 H new ATOM 0 HE ARG B 22 2.994 -12.256 2.545 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.991 -11.351 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.502 -11.801 0.568 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.940 -12.824 3.559 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.473 -12.631 2.702 1.00 0.00 H new ATOM 643 N GLY B 23 -1.567 -11.309 -2.643 1.00 0.00 N ATOM 644 CA GLY B 23 -2.838 -10.988 -3.266 1.00 0.00 C ATOM 645 C GLY B 23 -3.264 -9.554 -3.010 1.00 0.00 C ATOM 646 O GLY B 23 -4.057 -8.993 -3.766 1.00 0.00 O ATOM 0 H GLY B 23 -0.794 -10.700 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.765 -11.156 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.605 -11.664 -2.889 1.00 0.00 H new ATOM 650 N PHE B 24 -2.737 -8.970 -1.935 1.00 0.00 N ATOM 651 CA PHE B 24 -3.053 -7.594 -1.548 1.00 0.00 C ATOM 652 C PHE B 24 -4.555 -7.322 -1.590 1.00 0.00 C ATOM 653 O PHE B 24 -5.342 -8.160 -2.026 1.00 0.00 O ATOM 654 CB PHE B 24 -2.290 -6.588 -2.418 1.00 0.00 C ATOM 655 CG PHE B 24 -2.694 -6.573 -3.866 1.00 0.00 C ATOM 656 CD1 PHE B 24 -2.127 -7.460 -4.767 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.630 -5.661 -4.328 1.00 0.00 C ATOM 658 CE1 PHE B 24 -2.487 -7.438 -6.100 1.00 0.00 C ATOM 659 CE2 PHE B 24 -3.993 -5.636 -5.661 1.00 0.00 C ATOM 660 CZ PHE B 24 -3.421 -6.525 -6.549 1.00 0.00 C ATOM 0 H PHE B 24 -2.080 -9.435 -1.308 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.728 -7.467 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.433 -5.590 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.225 -6.809 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.396 -8.176 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.080 -4.962 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.038 -8.135 -6.792 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.724 -4.921 -6.008 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.703 -6.507 -7.591 1.00 0.00 H new ATOM 670 N PHE B 25 -4.951 -6.149 -1.108 1.00 0.00 N ATOM 671 CA PHE B 25 -6.362 -5.782 -1.076 1.00 0.00 C ATOM 672 C PHE B 25 -6.639 -4.524 -1.900 1.00 0.00 C ATOM 673 O PHE B 25 -7.088 -4.617 -3.043 1.00 0.00 O ATOM 674 CB PHE B 25 -6.827 -5.588 0.371 1.00 0.00 C ATOM 675 CG PHE B 25 -8.249 -6.011 0.607 1.00 0.00 C ATOM 676 CD1 PHE B 25 -8.719 -7.217 0.113 1.00 0.00 C ATOM 677 CD2 PHE B 25 -9.116 -5.199 1.321 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.027 -7.606 0.328 1.00 0.00 C ATOM 679 CE2 PHE B 25 -10.425 -5.582 1.539 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.881 -6.788 1.042 1.00 0.00 C ATOM 0 H PHE B 25 -4.319 -5.440 -0.736 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.927 -6.599 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.173 -6.156 1.033 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.720 -4.537 0.641 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.056 -7.860 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.764 -4.256 1.712 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.382 -8.549 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.091 -4.940 2.097 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.904 -7.091 1.212 1.00 0.00 H new ATOM 690 N TYR B 26 -6.380 -3.351 -1.318 1.00 0.00 N ATOM 691 CA TYR B 26 -6.617 -2.080 -2.004 1.00 0.00 C ATOM 692 C TYR B 26 -7.948 -2.104 -2.754 1.00 0.00 C ATOM 693 O TYR B 26 -7.984 -2.342 -3.962 1.00 0.00 O ATOM 694 CB TYR B 26 -5.473 -1.768 -2.976 1.00 0.00 C ATOM 695 CG TYR B 26 -5.778 -0.628 -3.926 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.578 0.439 -3.530 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.273 -0.622 -5.219 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.863 1.477 -4.395 1.00 0.00 C ATOM 699 CE2 TYR B 26 -5.553 0.413 -6.091 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.348 1.460 -5.674 1.00 0.00 C ATOM 701 OH TYR B 26 -6.630 2.492 -6.539 1.00 0.00 O ATOM 0 H TYR B 26 -6.006 -3.255 -0.374 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.660 -1.296 -1.248 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.578 -1.524 -2.404 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.246 -2.662 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.983 0.456 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.650 -1.440 -5.549 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.486 2.298 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.151 0.402 -7.094 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.381 3.016 -6.189 1.00 0.00 H new ATOM 711 N THR B 27 -9.036 -1.864 -2.033 1.00 0.00 N ATOM 712 CA THR B 27 -10.363 -1.869 -2.639 1.00 0.00 C ATOM 713 C THR B 27 -11.026 -0.501 -2.522 1.00 0.00 C ATOM 714 O THR B 27 -10.716 0.279 -1.621 1.00 0.00 O ATOM 715 CB THR B 27 -11.240 -2.934 -1.979 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.669 -2.508 -0.698 1.00 0.00 O ATOM 717 CG2 THR B 27 -10.536 -4.263 -1.810 1.00 0.00 C ATOM 0 H THR B 27 -9.027 -1.664 -1.033 1.00 0.00 H new ATOM 0 HA THR B 27 -10.250 -2.103 -3.698 1.00 0.00 H new ATOM 0 HB THR B 27 -12.087 -3.071 -2.652 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.230 -3.202 -0.293 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.212 -4.975 -1.336 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.236 -4.642 -2.787 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.653 -4.130 -1.185 1.00 0.00 H new