USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 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 29 GLN : amide:sc= 1.03 K(o=1.1,f=-4.6!) USER MOD Set 1.2: A 30 THR OG1 : rot 36:sc= 0.0285 USER MOD Single : A 1 ASP N :NH3+ -118:sc= 0.00757 (180deg=-0.0156) USER MOD Single : A 8 TYR OH : rot 130:sc= 0 USER MOD Single : A 9 THR OG1 : rot -121:sc= 0.832 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.044) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 22 ASN : amide:sc= -0.964 K(o=-0.96,f=-2!) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0396) USER MOD Single : A 33 TYR OH : rot 34:sc= -1.93! USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0459) USER MOD Single : A 41 ASN :FLIP amide:sc= -3.87! C(o=-9!,f=-3.9!) USER MOD Single : A 42 ASN : amide:sc= -4.16 K(o=-4.2,f=-4.7!) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0373) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 72:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.144 16.313 4.497 1.00 0.00 N ATOM 2 CA ASP A 1 -6.869 15.059 4.158 1.00 0.00 C ATOM 3 C ASP A 1 -5.944 14.058 3.474 1.00 0.00 C ATOM 4 O ASP A 1 -5.061 14.444 2.704 1.00 0.00 O ATOM 5 CB ASP A 1 -8.050 15.398 3.239 1.00 0.00 C ATOM 6 CG ASP A 1 -9.120 16.225 3.931 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.699 15.739 4.926 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.377 17.361 3.477 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.148 16.449 5.528 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.162 16.248 4.161 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.614 17.120 4.040 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.233 14.602 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.682 15.943 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.494 14.473 2.871 1.00 0.00 H new ATOM 15 N PHE A 2 -6.159 12.771 3.766 1.00 0.00 N ATOM 16 CA PHE A 2 -5.353 11.691 3.188 1.00 0.00 C ATOM 17 C PHE A 2 -6.221 10.719 2.374 1.00 0.00 C ATOM 18 O PHE A 2 -7.449 10.848 2.344 1.00 0.00 O ATOM 19 CB PHE A 2 -4.560 10.946 4.298 1.00 0.00 C ATOM 20 CG PHE A 2 -5.369 10.459 5.489 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.400 9.537 5.340 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.078 10.922 6.763 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.122 9.096 6.432 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.797 10.481 7.859 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.821 9.568 7.692 1.00 0.00 C ATOM 0 H PHE A 2 -6.889 12.451 4.403 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.635 12.137 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.064 10.087 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.777 11.610 4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.639 9.161 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.280 11.636 6.901 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.921 8.382 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.558 10.850 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.384 9.225 8.547 1.00 0.00 H new ATOM 35 N CYS A 3 -5.557 9.738 1.720 1.00 0.00 N ATOM 36 CA CYS A 3 -6.203 8.691 0.887 1.00 0.00 C ATOM 37 C CYS A 3 -6.757 9.237 -0.439 1.00 0.00 C ATOM 38 O CYS A 3 -6.675 8.559 -1.467 1.00 0.00 O ATOM 39 CB CYS A 3 -7.306 7.939 1.653 1.00 0.00 C ATOM 40 SG CYS A 3 -7.909 6.447 0.795 1.00 0.00 S ATOM 0 H CYS A 3 -4.542 9.648 1.755 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.409 7.985 0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.925 7.654 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.145 8.615 1.821 1.00 0.00 H new ATOM 45 N LEU A 4 -7.308 10.461 -0.411 1.00 0.00 N ATOM 46 CA LEU A 4 -7.865 11.098 -1.616 1.00 0.00 C ATOM 47 C LEU A 4 -6.774 11.773 -2.459 1.00 0.00 C ATOM 48 O LEU A 4 -7.024 12.177 -3.599 1.00 0.00 O ATOM 49 CB LEU A 4 -8.943 12.127 -1.240 1.00 0.00 C ATOM 50 CG LEU A 4 -10.241 11.553 -0.654 1.00 0.00 C ATOM 51 CD1 LEU A 4 -10.106 11.287 0.841 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.403 12.497 -0.927 1.00 0.00 C ATOM 0 H LEU A 4 -7.380 11.030 0.433 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.317 10.308 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.517 12.823 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.193 12.705 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.439 10.599 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.042 10.881 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.303 10.570 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.876 12.219 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.318 12.079 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.201 13.465 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.523 12.624 -2.003 1.00 0.00 H new ATOM 64 N GLU A 5 -5.566 11.878 -1.888 1.00 0.00 N ATOM 65 CA GLU A 5 -4.420 12.489 -2.570 1.00 0.00 C ATOM 66 C GLU A 5 -3.620 11.427 -3.345 1.00 0.00 C ATOM 67 O GLU A 5 -3.703 10.240 -3.013 1.00 0.00 O ATOM 68 CB GLU A 5 -3.507 13.195 -1.557 1.00 0.00 C ATOM 69 CG GLU A 5 -4.135 14.427 -0.905 1.00 0.00 C ATOM 70 CD GLU A 5 -3.224 15.125 0.101 1.00 0.00 C ATOM 71 OE1 GLU A 5 -2.078 14.663 0.312 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.662 16.141 0.679 1.00 0.00 O ATOM 0 H GLU A 5 -5.358 11.544 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.800 13.226 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.230 12.486 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.586 13.492 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.412 15.137 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.056 14.131 -0.402 1.00 0.00 H new ATOM 79 N PRO A 6 -2.832 11.821 -4.399 1.00 0.00 N ATOM 80 CA PRO A 6 -2.032 10.867 -5.204 1.00 0.00 C ATOM 81 C PRO A 6 -1.032 10.053 -4.362 1.00 0.00 C ATOM 82 O PRO A 6 -0.458 10.585 -3.408 1.00 0.00 O ATOM 83 CB PRO A 6 -1.281 11.763 -6.194 1.00 0.00 C ATOM 84 CG PRO A 6 -2.088 13.011 -6.269 1.00 0.00 C ATOM 85 CD PRO A 6 -2.659 13.208 -4.896 1.00 0.00 C ATOM 0 HA PRO A 6 -2.671 10.121 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.267 11.968 -5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.196 11.288 -7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.470 13.860 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.879 12.921 -7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.987 13.783 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.607 13.746 -4.927 1.00 0.00 H new ATOM 93 N PRO A 7 -0.811 8.742 -4.696 1.00 0.00 N ATOM 94 CA PRO A 7 0.119 7.856 -3.957 1.00 0.00 C ATOM 95 C PRO A 7 1.569 8.364 -3.928 1.00 0.00 C ATOM 96 O PRO A 7 2.143 8.692 -4.971 1.00 0.00 O ATOM 97 CB PRO A 7 0.013 6.534 -4.737 1.00 0.00 C ATOM 98 CG PRO A 7 -0.443 6.933 -6.085 1.00 0.00 C ATOM 99 CD PRO A 7 -1.448 7.994 -5.804 1.00 0.00 C ATOM 0 HA PRO A 7 -0.145 7.782 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.973 6.020 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.693 5.851 -4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.380 7.309 -6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.883 6.095 -6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.626 8.627 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.411 7.576 -5.512 1.00 0.00 H new ATOM 107 N TYR A 8 2.138 8.427 -2.719 1.00 0.00 N ATOM 108 CA TYR A 8 3.510 8.894 -2.524 1.00 0.00 C ATOM 109 C TYR A 8 4.307 7.898 -1.670 1.00 0.00 C ATOM 110 O TYR A 8 4.193 7.888 -0.437 1.00 0.00 O ATOM 111 CB TYR A 8 3.506 10.298 -1.871 1.00 0.00 C ATOM 112 CG TYR A 8 4.886 10.910 -1.667 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.639 11.371 -2.743 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.435 11.005 -0.394 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.897 11.911 -2.553 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.693 11.545 -0.197 1.00 0.00 C ATOM 117 CZ TYR A 8 7.418 11.996 -1.280 1.00 0.00 C ATOM 118 OH TYR A 8 8.670 12.533 -1.088 1.00 0.00 O ATOM 0 H TYR A 8 1.663 8.158 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 8 3.996 8.965 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.914 10.970 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.006 10.233 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.234 11.306 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.870 10.651 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.469 12.265 -3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.105 11.613 0.799 1.00 0.00 H new ATOM 0 HH TYR A 8 8.630 13.213 -0.384 1.00 0.00 H new ATOM 128 N THR A 9 5.131 7.077 -2.334 1.00 0.00 N ATOM 129 CA THR A 9 5.973 6.096 -1.651 1.00 0.00 C ATOM 130 C THR A 9 7.385 6.680 -1.457 1.00 0.00 C ATOM 131 O THR A 9 7.731 7.134 -0.363 1.00 0.00 O ATOM 132 CB THR A 9 6.004 4.774 -2.456 1.00 0.00 C ATOM 133 OG1 THR A 9 4.696 4.250 -2.598 1.00 0.00 O ATOM 134 CG2 THR A 9 6.868 3.675 -1.847 1.00 0.00 C ATOM 0 H THR A 9 5.230 7.076 -3.349 1.00 0.00 H new ATOM 0 HA THR A 9 5.561 5.872 -0.667 1.00 0.00 H new ATOM 0 HB THR A 9 6.445 5.051 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.659 3.352 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.828 2.788 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.899 4.022 -1.773 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.496 3.428 -0.853 1.00 0.00 H new ATOM 142 N GLY A 10 8.184 6.636 -2.529 1.00 0.00 N ATOM 143 CA GLY A 10 9.548 7.126 -2.496 1.00 0.00 C ATOM 144 C GLY A 10 10.510 6.074 -3.031 1.00 0.00 C ATOM 145 O GLY A 10 10.410 4.914 -2.623 1.00 0.00 O ATOM 0 H GLY A 10 7.897 6.261 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.628 8.035 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.821 7.389 -1.474 1.00 0.00 H new ATOM 149 N PRO A 11 11.448 6.427 -3.963 1.00 0.00 N ATOM 150 CA PRO A 11 12.403 5.458 -4.542 1.00 0.00 C ATOM 151 C PRO A 11 13.441 4.969 -3.520 1.00 0.00 C ATOM 152 O PRO A 11 14.620 5.344 -3.570 1.00 0.00 O ATOM 153 CB PRO A 11 13.074 6.239 -5.690 1.00 0.00 C ATOM 154 CG PRO A 11 12.242 7.463 -5.884 1.00 0.00 C ATOM 155 CD PRO A 11 11.647 7.770 -4.542 1.00 0.00 C ATOM 0 HA PRO A 11 11.903 4.550 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.102 6.500 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.111 5.642 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.848 8.295 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.463 7.293 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.314 8.379 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.708 8.317 -4.630 1.00 0.00 H new ATOM 163 N CYS A 12 12.978 4.132 -2.583 1.00 0.00 N ATOM 164 CA CYS A 12 13.842 3.590 -1.537 1.00 0.00 C ATOM 165 C CYS A 12 13.771 2.052 -1.503 1.00 0.00 C ATOM 166 O CYS A 12 14.301 1.393 -2.403 1.00 0.00 O ATOM 167 CB CYS A 12 13.460 4.209 -0.183 1.00 0.00 C ATOM 168 SG CYS A 12 13.434 6.031 -0.187 1.00 0.00 S ATOM 0 H CYS A 12 12.009 3.818 -2.531 1.00 0.00 H new ATOM 0 HA CYS A 12 14.877 3.853 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.476 3.842 0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 12 14.166 3.867 0.574 1.00 0.00 H new ATOM 173 N LYS A 13 13.117 1.489 -0.474 1.00 0.00 N ATOM 174 CA LYS A 13 12.975 0.039 -0.328 1.00 0.00 C ATOM 175 C LYS A 13 11.517 -0.316 -0.022 1.00 0.00 C ATOM 176 O LYS A 13 11.162 -0.669 1.111 1.00 0.00 O ATOM 177 CB LYS A 13 13.914 -0.504 0.774 1.00 0.00 C ATOM 178 CG LYS A 13 15.406 -0.415 0.453 1.00 0.00 C ATOM 179 CD LYS A 13 15.990 0.953 0.799 1.00 0.00 C ATOM 180 CE LYS A 13 17.477 1.036 0.476 1.00 0.00 C ATOM 181 NZ LYS A 13 17.745 0.986 -0.991 1.00 0.00 N ATOM 0 H LYS A 13 12.676 2.026 0.273 1.00 0.00 H new ATOM 0 HA LYS A 13 13.262 -0.432 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.723 0.045 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.660 -1.547 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.941 -1.187 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.560 -0.617 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.455 1.726 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.837 1.155 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.884 1.961 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.999 0.214 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.758 1.147 -1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.475 0.053 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.190 1.723 -1.471 1.00 0.00 H new ATOM 195 N ALA A 14 10.675 -0.204 -1.051 1.00 0.00 N ATOM 196 CA ALA A 14 9.248 -0.494 -0.927 1.00 0.00 C ATOM 197 C ALA A 14 8.916 -1.905 -1.409 1.00 0.00 C ATOM 198 O ALA A 14 9.088 -2.231 -2.590 1.00 0.00 O ATOM 199 CB ALA A 14 8.433 0.541 -1.693 1.00 0.00 C ATOM 0 H ALA A 14 10.961 0.088 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 14 8.986 -0.440 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.371 0.315 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.632 1.533 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.712 0.517 -2.746 1.00 0.00 H new ATOM 205 N ARG A 15 8.433 -2.735 -0.476 1.00 0.00 N ATOM 206 CA ARG A 15 8.052 -4.127 -0.770 1.00 0.00 C ATOM 207 C ARG A 15 6.752 -4.505 -0.038 1.00 0.00 C ATOM 208 O ARG A 15 6.555 -5.656 0.376 1.00 0.00 O ATOM 209 CB ARG A 15 9.205 -5.105 -0.421 1.00 0.00 C ATOM 210 CG ARG A 15 9.766 -4.971 0.999 1.00 0.00 C ATOM 211 CD ARG A 15 9.825 -6.313 1.715 1.00 0.00 C ATOM 212 NE ARG A 15 8.488 -6.821 2.057 1.00 0.00 N ATOM 213 CZ ARG A 15 8.248 -7.990 2.668 1.00 0.00 C ATOM 214 NH1 ARG A 15 9.245 -8.803 3.017 1.00 0.00 N ATOM 215 NH2 ARG A 15 6.999 -8.347 2.932 1.00 0.00 N ATOM 0 H ARG A 15 8.295 -2.466 0.498 1.00 0.00 H new ATOM 0 HA ARG A 15 7.865 -4.209 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.849 -6.126 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.017 -4.952 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.766 -4.539 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.145 -4.281 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.336 -7.038 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.417 -6.211 2.625 1.00 0.00 H new ATOM 0 HE ARG A 15 7.685 -6.242 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.211 -8.540 2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.042 -9.688 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.227 -7.734 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.810 -9.235 3.397 1.00 0.00 H new ATOM 229 N ILE A 16 5.876 -3.512 0.108 1.00 0.00 N ATOM 230 CA ILE A 16 4.582 -3.678 0.781 1.00 0.00 C ATOM 231 C ILE A 16 3.500 -2.927 -0.005 1.00 0.00 C ATOM 232 O ILE A 16 3.593 -1.719 -0.173 1.00 0.00 O ATOM 233 CB ILE A 16 4.638 -3.156 2.260 1.00 0.00 C ATOM 234 CG1 ILE A 16 5.700 -3.929 3.072 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.265 -3.279 2.940 1.00 0.00 C ATOM 236 CD1 ILE A 16 6.217 -3.192 4.298 1.00 0.00 C ATOM 0 H ILE A 16 6.041 -2.566 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 16 4.341 -4.741 0.813 1.00 0.00 H new ATOM 0 HB ILE A 16 4.916 -2.103 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.274 -4.881 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.542 -4.158 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.332 -2.911 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.532 -2.690 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.956 -4.324 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.958 -3.808 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.676 -2.252 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.388 -2.987 4.976 1.00 0.00 H new ATOM 248 N ILE A 17 2.471 -3.653 -0.451 1.00 0.00 N ATOM 249 CA ILE A 17 1.351 -3.056 -1.206 1.00 0.00 C ATOM 250 C ILE A 17 0.209 -2.738 -0.241 1.00 0.00 C ATOM 251 O ILE A 17 -0.011 -3.440 0.749 1.00 0.00 O ATOM 252 CB ILE A 17 0.842 -3.990 -2.362 1.00 0.00 C ATOM 253 CG1 ILE A 17 1.999 -4.481 -3.254 1.00 0.00 C ATOM 254 CG2 ILE A 17 -0.191 -3.281 -3.239 1.00 0.00 C ATOM 255 CD1 ILE A 17 2.699 -5.726 -2.740 1.00 0.00 C ATOM 0 H ILE A 17 2.385 -4.659 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 17 1.713 -2.142 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 17 0.378 -4.849 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.612 -4.682 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.732 -3.680 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.522 -3.955 -4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.046 -2.988 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.258 -2.393 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.499 -6.003 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.119 -5.526 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.982 -6.544 -2.670 1.00 0.00 H new ATOM 267 N ARG A 18 -0.466 -1.634 -0.541 1.00 0.00 N ATOM 268 CA ARG A 18 -1.559 -1.108 0.263 1.00 0.00 C ATOM 269 C ARG A 18 -2.642 -0.492 -0.638 1.00 0.00 C ATOM 270 O ARG A 18 -2.557 -0.597 -1.862 1.00 0.00 O ATOM 271 CB ARG A 18 -0.957 -0.072 1.209 1.00 0.00 C ATOM 272 CG ARG A 18 -0.631 -0.629 2.585 1.00 0.00 C ATOM 273 CD ARG A 18 -0.005 0.424 3.484 1.00 0.00 C ATOM 274 NE ARG A 18 0.308 -0.105 4.816 1.00 0.00 N ATOM 275 CZ ARG A 18 0.854 0.607 5.812 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.160 1.894 5.653 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.096 0.023 6.978 1.00 0.00 N ATOM 0 H ARG A 18 -0.264 -1.070 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.045 -1.899 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.048 0.331 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.654 0.759 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.541 -1.009 3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.051 -1.473 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.907 0.801 3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.686 1.269 3.581 1.00 0.00 H new ATOM 0 HE ARG A 18 0.095 -1.086 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.979 2.355 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.575 2.418 6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.867 -0.962 7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.511 0.559 7.740 1.00 0.00 H new ATOM 291 N TYR A 19 -3.667 0.133 -0.038 1.00 0.00 N ATOM 292 CA TYR A 19 -4.756 0.738 -0.813 1.00 0.00 C ATOM 293 C TYR A 19 -4.792 2.255 -0.662 1.00 0.00 C ATOM 294 O TYR A 19 -4.492 2.795 0.408 1.00 0.00 O ATOM 295 CB TYR A 19 -6.117 0.149 -0.398 1.00 0.00 C ATOM 296 CG TYR A 19 -6.355 -1.300 -0.805 1.00 0.00 C ATOM 297 CD1 TYR A 19 -5.408 -2.296 -0.569 1.00 0.00 C ATOM 298 CD2 TYR A 19 -7.545 -1.670 -1.418 1.00 0.00 C ATOM 299 CE1 TYR A 19 -5.640 -3.607 -0.934 1.00 0.00 C ATOM 300 CE2 TYR A 19 -7.786 -2.982 -1.783 1.00 0.00 C ATOM 301 CZ TYR A 19 -6.831 -3.946 -1.540 1.00 0.00 C ATOM 302 OH TYR A 19 -7.068 -5.252 -1.903 1.00 0.00 O ATOM 0 H TYR A 19 -3.763 0.231 0.973 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.563 0.505 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.211 0.224 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.907 0.764 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.475 -2.037 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.296 -0.919 -1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.892 -4.363 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.719 -3.250 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.954 -5.321 -2.317 1.00 0.00 H new ATOM 312 N PHE A 20 -5.190 2.924 -1.753 1.00 0.00 N ATOM 313 CA PHE A 20 -5.318 4.384 -1.801 1.00 0.00 C ATOM 314 C PHE A 20 -6.584 4.742 -2.591 1.00 0.00 C ATOM 315 O PHE A 20 -7.025 3.952 -3.432 1.00 0.00 O ATOM 316 CB PHE A 20 -4.060 5.023 -2.440 1.00 0.00 C ATOM 317 CG PHE A 20 -4.103 5.152 -3.944 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.836 4.068 -4.767 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.429 6.366 -4.527 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.900 4.195 -6.142 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.489 6.499 -5.897 1.00 0.00 C ATOM 322 CZ PHE A 20 -4.228 5.413 -6.707 1.00 0.00 C ATOM 0 H PHE A 20 -5.433 2.464 -2.630 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.402 4.780 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.916 6.014 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.189 4.427 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.576 3.116 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.639 7.219 -3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.694 3.344 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.740 7.453 -6.337 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.280 5.515 -7.781 1.00 0.00 H new ATOM 332 N TYR A 21 -7.174 5.910 -2.323 1.00 0.00 N ATOM 333 CA TYR A 21 -8.394 6.322 -3.018 1.00 0.00 C ATOM 334 C TYR A 21 -8.114 7.286 -4.172 1.00 0.00 C ATOM 335 O TYR A 21 -7.384 8.269 -4.009 1.00 0.00 O ATOM 336 CB TYR A 21 -9.358 7.016 -2.042 1.00 0.00 C ATOM 337 CG TYR A 21 -10.734 7.296 -2.617 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.680 6.287 -2.754 1.00 0.00 C ATOM 339 CD2 TYR A 21 -11.079 8.579 -3.021 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.932 6.553 -3.273 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.327 8.854 -3.544 1.00 0.00 C ATOM 342 CZ TYR A 21 -13.251 7.837 -3.667 1.00 0.00 C ATOM 343 OH TYR A 21 -14.499 8.105 -4.182 1.00 0.00 O ATOM 0 H TYR A 21 -6.830 6.581 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.837 5.412 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.468 6.394 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.914 7.957 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.433 5.281 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.358 9.377 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.658 5.760 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.578 9.858 -3.854 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.562 9.056 -4.409 1.00 0.00 H new ATOM 353 N ASN A 22 -8.767 7.026 -5.311 1.00 0.00 N ATOM 354 CA ASN A 22 -8.675 7.890 -6.475 1.00 0.00 C ATOM 355 C ASN A 22 -9.927 8.748 -6.525 1.00 0.00 C ATOM 356 O ASN A 22 -11.036 8.250 -6.284 1.00 0.00 O ATOM 357 CB ASN A 22 -8.564 7.089 -7.765 1.00 0.00 C ATOM 358 CG ASN A 22 -7.223 6.407 -7.936 1.00 0.00 C ATOM 359 OD1 ASN A 22 -6.212 7.065 -8.175 1.00 0.00 O ATOM 360 ND2 ASN A 22 -7.208 5.085 -7.815 1.00 0.00 N ATOM 0 H ASN A 22 -9.369 6.213 -5.443 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.777 8.502 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.352 6.336 -7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.736 7.753 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.332 4.573 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.072 4.581 -7.616 1.00 0.00 H new ATOM 367 N ALA A 23 -9.762 10.018 -6.872 1.00 0.00 N ATOM 368 CA ALA A 23 -10.893 10.930 -6.976 1.00 0.00 C ATOM 369 C ALA A 23 -11.378 11.031 -8.422 1.00 0.00 C ATOM 370 O ALA A 23 -12.321 11.775 -8.719 1.00 0.00 O ATOM 371 CB ALA A 23 -10.522 12.297 -6.417 1.00 0.00 C ATOM 0 H ALA A 23 -8.858 10.439 -7.086 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.716 10.534 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.376 12.969 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.241 12.197 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.683 12.705 -6.981 1.00 0.00 H new ATOM 377 N LYS A 24 -10.748 10.247 -9.314 1.00 0.00 N ATOM 378 CA LYS A 24 -11.129 10.212 -10.725 1.00 0.00 C ATOM 379 C LYS A 24 -12.018 8.993 -10.978 1.00 0.00 C ATOM 380 O LYS A 24 -12.974 9.052 -11.757 1.00 0.00 O ATOM 381 CB LYS A 24 -9.872 10.171 -11.612 1.00 0.00 C ATOM 382 CG LYS A 24 -10.120 10.523 -13.076 1.00 0.00 C ATOM 383 CD LYS A 24 -8.835 10.461 -13.891 1.00 0.00 C ATOM 384 CE LYS A 24 -9.071 10.811 -15.356 1.00 0.00 C ATOM 385 NZ LYS A 24 -9.891 9.783 -16.061 1.00 0.00 N ATOM 0 H LYS A 24 -9.972 9.630 -9.076 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.688 11.113 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.133 10.861 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.438 9.172 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.853 9.835 -13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.547 11.524 -13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.103 11.149 -13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.409 9.460 -13.821 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.571 11.777 -15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.111 10.915 -15.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.939 10.012 -17.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.455 8.847 -15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.852 9.772 -15.663 1.00 0.00 H new ATOM 399 N ALA A 25 -11.667 7.894 -10.303 1.00 0.00 N ATOM 400 CA ALA A 25 -12.383 6.631 -10.414 1.00 0.00 C ATOM 401 C ALA A 25 -13.257 6.363 -9.191 1.00 0.00 C ATOM 402 O ALA A 25 -14.248 5.632 -9.288 1.00 0.00 O ATOM 403 CB ALA A 25 -11.386 5.500 -10.591 1.00 0.00 C ATOM 0 H ALA A 25 -10.874 7.861 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.040 6.692 -11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.920 4.554 -10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.802 5.668 -11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.719 5.465 -9.730 1.00 0.00 H new ATOM 409 N GLY A 26 -12.885 6.951 -8.036 1.00 0.00 N ATOM 410 CA GLY A 26 -13.646 6.757 -6.806 1.00 0.00 C ATOM 411 C GLY A 26 -13.574 5.329 -6.293 1.00 0.00 C ATOM 412 O GLY A 26 -14.608 4.699 -6.048 1.00 0.00 O ATOM 0 H GLY A 26 -12.070 7.556 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.269 7.434 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.688 7.024 -6.982 1.00 0.00 H new ATOM 416 N LEU A 27 -12.342 4.822 -6.133 1.00 0.00 N ATOM 417 CA LEU A 27 -12.103 3.457 -5.646 1.00 0.00 C ATOM 418 C LEU A 27 -10.741 3.353 -4.946 1.00 0.00 C ATOM 419 O LEU A 27 -9.886 4.237 -5.096 1.00 0.00 O ATOM 420 CB LEU A 27 -12.212 2.423 -6.804 1.00 0.00 C ATOM 421 CG LEU A 27 -11.419 2.727 -8.094 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.966 2.280 -7.978 1.00 0.00 C ATOM 423 CD2 LEU A 27 -12.084 2.062 -9.289 1.00 0.00 C ATOM 0 H LEU A 27 -11.489 5.344 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.876 3.224 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.884 1.455 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.264 2.322 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.422 3.807 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.439 2.510 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.489 2.804 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.929 1.206 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.515 2.284 -10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.114 0.983 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.100 2.441 -9.398 1.00 0.00 H new ATOM 435 N CYS A 28 -10.554 2.260 -4.193 1.00 0.00 N ATOM 436 CA CYS A 28 -9.308 2.003 -3.472 1.00 0.00 C ATOM 437 C CYS A 28 -8.438 1.017 -4.257 1.00 0.00 C ATOM 438 O CYS A 28 -8.770 -0.169 -4.371 1.00 0.00 O ATOM 439 CB CYS A 28 -9.612 1.468 -2.065 1.00 0.00 C ATOM 440 SG CYS A 28 -10.466 2.665 -0.990 1.00 0.00 S ATOM 0 H CYS A 28 -11.261 1.535 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.756 2.938 -3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.225 0.571 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.677 1.170 -1.590 1.00 0.00 H new ATOM 445 N GLN A 29 -7.336 1.530 -4.817 1.00 0.00 N ATOM 446 CA GLN A 29 -6.415 0.721 -5.620 1.00 0.00 C ATOM 447 C GLN A 29 -5.216 0.247 -4.799 1.00 0.00 C ATOM 448 O GLN A 29 -4.877 0.846 -3.774 1.00 0.00 O ATOM 449 CB GLN A 29 -5.934 1.524 -6.837 1.00 0.00 C ATOM 450 CG GLN A 29 -6.217 0.858 -8.180 1.00 0.00 C ATOM 451 CD GLN A 29 -5.288 -0.303 -8.494 1.00 0.00 C ATOM 452 OE1 GLN A 29 -5.315 -1.334 -7.824 1.00 0.00 O ATOM 453 NE2 GLN A 29 -4.459 -0.138 -9.519 1.00 0.00 N ATOM 0 H GLN A 29 -7.060 2.508 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.957 -0.162 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.411 2.504 -6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.861 1.691 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.247 0.500 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.132 1.604 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.470 0.734 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.812 -0.883 -9.777 1.00 0.00 H new ATOM 462 N THR A 30 -4.590 -0.839 -5.274 1.00 0.00 N ATOM 463 CA THR A 30 -3.419 -1.440 -4.617 1.00 0.00 C ATOM 464 C THR A 30 -2.116 -0.799 -5.097 1.00 0.00 C ATOM 465 O THR A 30 -1.886 -0.672 -6.304 1.00 0.00 O ATOM 466 CB THR A 30 -3.376 -2.954 -4.868 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.476 -3.240 -6.252 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.474 -3.723 -4.158 1.00 0.00 C ATOM 0 H THR A 30 -4.880 -1.325 -6.123 1.00 0.00 H new ATOM 0 HA THR A 30 -3.516 -1.256 -3.547 1.00 0.00 H new ATOM 0 HB THR A 30 -2.416 -3.278 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.004 -2.550 -6.764 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.378 -4.785 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.388 -3.571 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.446 -3.366 -4.498 1.00 0.00 H new ATOM 476 N PHE A 31 -1.272 -0.398 -4.133 1.00 0.00 N ATOM 477 CA PHE A 31 0.021 0.238 -4.419 1.00 0.00 C ATOM 478 C PHE A 31 1.015 -0.037 -3.273 1.00 0.00 C ATOM 479 O PHE A 31 0.607 -0.264 -2.141 1.00 0.00 O ATOM 480 CB PHE A 31 -0.176 1.756 -4.629 1.00 0.00 C ATOM 481 CG PHE A 31 -0.205 2.562 -3.360 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.326 2.594 -2.539 1.00 0.00 C ATOM 483 CD2 PHE A 31 0.911 3.284 -2.993 1.00 0.00 C ATOM 484 CE1 PHE A 31 -1.318 3.338 -1.375 1.00 0.00 C ATOM 485 CE2 PHE A 31 0.926 4.024 -1.838 1.00 0.00 C ATOM 486 CZ PHE A 31 -0.189 4.055 -1.023 1.00 0.00 C ATOM 0 H PHE A 31 -1.467 -0.506 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 31 0.435 -0.185 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.628 2.130 -5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.109 1.917 -5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.208 2.034 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.787 3.267 -3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.192 3.360 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.809 4.582 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.179 4.637 -0.114 1.00 0.00 H new ATOM 496 N VAL A 32 2.311 -0.041 -3.592 1.00 0.00 N ATOM 497 CA VAL A 32 3.386 -0.330 -2.630 1.00 0.00 C ATOM 498 C VAL A 32 3.690 0.870 -1.702 1.00 0.00 C ATOM 499 O VAL A 32 3.329 2.012 -1.988 1.00 0.00 O ATOM 500 CB VAL A 32 4.694 -0.768 -3.374 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.671 -1.481 -2.439 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.386 -1.666 -4.571 1.00 0.00 C ATOM 0 H VAL A 32 2.651 0.158 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 32 3.031 -1.149 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 32 5.164 0.148 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.564 -1.767 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.950 -0.812 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.197 -2.373 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.317 -1.950 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.868 -2.562 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.753 -1.128 -5.276 1.00 0.00 H new ATOM 512 N TYR A 33 4.355 0.550 -0.585 1.00 0.00 N ATOM 513 CA TYR A 33 4.739 1.510 0.447 1.00 0.00 C ATOM 514 C TYR A 33 6.210 1.305 0.816 1.00 0.00 C ATOM 515 O TYR A 33 6.690 0.167 0.842 1.00 0.00 O ATOM 516 CB TYR A 33 3.836 1.298 1.675 1.00 0.00 C ATOM 517 CG TYR A 33 3.826 2.412 2.713 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.577 3.740 2.369 1.00 0.00 C ATOM 519 CD2 TYR A 33 4.027 2.115 4.053 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.527 4.730 3.331 1.00 0.00 C ATOM 521 CE2 TYR A 33 3.987 3.100 5.020 1.00 0.00 C ATOM 522 CZ TYR A 33 3.734 4.404 4.654 1.00 0.00 C ATOM 523 OH TYR A 33 3.666 5.383 5.618 1.00 0.00 O ATOM 0 H TYR A 33 4.645 -0.405 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 33 4.617 2.530 0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.814 1.149 1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.142 0.375 2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.420 3.999 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.219 1.093 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.327 5.753 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.153 2.850 6.057 1.00 0.00 H new ATOM 0 HH TYR A 33 2.996 6.050 5.360 1.00 0.00 H new ATOM 533 N GLY A 34 6.918 2.406 1.087 1.00 0.00 N ATOM 534 CA GLY A 34 8.329 2.322 1.435 1.00 0.00 C ATOM 535 C GLY A 34 8.581 2.419 2.928 1.00 0.00 C ATOM 536 O GLY A 34 7.669 2.198 3.732 1.00 0.00 O ATOM 0 H GLY A 34 6.538 3.352 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.733 1.380 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.870 3.121 0.929 1.00 0.00 H new ATOM 540 N GLY A 35 9.830 2.742 3.293 1.00 0.00 N ATOM 541 CA GLY A 35 10.199 2.856 4.699 1.00 0.00 C ATOM 542 C GLY A 35 11.210 3.961 4.990 1.00 0.00 C ATOM 543 O GLY A 35 11.635 4.112 6.139 1.00 0.00 O ATOM 0 H GLY A 35 10.590 2.926 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.299 3.038 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.611 1.904 5.034 1.00 0.00 H new ATOM 547 N CYS A 36 11.593 4.738 3.961 1.00 0.00 N ATOM 548 CA CYS A 36 12.553 5.840 4.132 1.00 0.00 C ATOM 549 C CYS A 36 11.837 7.107 4.610 1.00 0.00 C ATOM 550 O CYS A 36 12.200 7.673 5.646 1.00 0.00 O ATOM 551 CB CYS A 36 13.321 6.102 2.831 1.00 0.00 C ATOM 552 SG CYS A 36 12.266 6.500 1.403 1.00 0.00 S ATOM 0 H CYS A 36 11.253 4.623 3.006 1.00 0.00 H new ATOM 0 HA CYS A 36 13.276 5.549 4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 36 14.017 6.925 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.918 5.222 2.592 1.00 0.00 H new ATOM 557 N ARG A 37 10.794 7.515 3.873 1.00 0.00 N ATOM 558 CA ARG A 37 9.989 8.677 4.242 1.00 0.00 C ATOM 559 C ARG A 37 8.685 8.155 4.863 1.00 0.00 C ATOM 560 O ARG A 37 8.597 8.045 6.089 1.00 0.00 O ATOM 561 CB ARG A 37 9.742 9.586 3.019 1.00 0.00 C ATOM 562 CG ARG A 37 9.311 11.004 3.378 1.00 0.00 C ATOM 563 CD ARG A 37 9.160 11.875 2.134 1.00 0.00 C ATOM 564 NE ARG A 37 8.743 13.255 2.446 1.00 0.00 N ATOM 565 CZ ARG A 37 7.517 13.621 2.866 1.00 0.00 C ATOM 566 NH1 ARG A 37 6.550 12.720 3.037 1.00 0.00 N ATOM 567 NH2 ARG A 37 7.263 14.898 3.115 1.00 0.00 N ATOM 0 H ARG A 37 10.491 7.052 3.016 1.00 0.00 H new ATOM 0 HA ARG A 37 10.510 9.298 4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.654 9.634 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.976 9.132 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.365 10.972 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.046 11.450 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.108 11.900 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.427 11.422 1.466 1.00 0.00 H new ATOM 0 HE ARG A 37 9.440 13.992 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.732 11.734 2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.628 13.016 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.994 15.598 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.336 15.181 3.433 1.00 0.00 H new ATOM 581 N ALA A 38 7.684 7.827 4.007 1.00 0.00 N ATOM 582 CA ALA A 38 6.368 7.290 4.426 1.00 0.00 C ATOM 583 C ALA A 38 5.411 8.392 4.868 1.00 0.00 C ATOM 584 O ALA A 38 5.740 9.204 5.739 1.00 0.00 O ATOM 585 CB ALA A 38 6.500 6.220 5.516 1.00 0.00 C ATOM 0 H ALA A 38 7.771 7.930 2.996 1.00 0.00 H new ATOM 0 HA ALA A 38 5.942 6.814 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.510 5.856 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.100 5.391 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.984 6.651 6.392 1.00 0.00 H new ATOM 591 N LYS A 39 4.222 8.401 4.251 1.00 0.00 N ATOM 592 CA LYS A 39 3.187 9.388 4.555 1.00 0.00 C ATOM 593 C LYS A 39 1.989 8.721 5.230 1.00 0.00 C ATOM 594 O LYS A 39 2.002 7.514 5.497 1.00 0.00 O ATOM 595 CB LYS A 39 2.722 10.088 3.269 1.00 0.00 C ATOM 596 CG LYS A 39 2.988 11.589 3.219 1.00 0.00 C ATOM 597 CD LYS A 39 1.981 12.386 4.049 1.00 0.00 C ATOM 598 CE LYS A 39 2.256 13.885 3.992 1.00 0.00 C ATOM 599 NZ LYS A 39 2.011 14.457 2.637 1.00 0.00 N ATOM 0 H LYS A 39 3.955 7.728 3.533 1.00 0.00 H new ATOM 0 HA LYS A 39 3.613 10.126 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.216 9.618 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.652 9.920 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.995 11.789 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.951 11.928 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.973 12.188 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.018 12.049 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.624 14.395 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.290 14.073 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.129 15.490 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.690 14.052 1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.043 14.229 2.334 1.00 0.00 H new ATOM 613 N ARG A 40 0.971 9.529 5.514 1.00 0.00 N ATOM 614 CA ARG A 40 -0.254 9.058 6.183 1.00 0.00 C ATOM 615 C ARG A 40 -1.342 8.627 5.183 1.00 0.00 C ATOM 616 O ARG A 40 -2.469 8.313 5.585 1.00 0.00 O ATOM 617 CB ARG A 40 -0.810 10.146 7.120 1.00 0.00 C ATOM 618 CG ARG A 40 0.120 10.514 8.273 1.00 0.00 C ATOM 619 CD ARG A 40 -0.478 11.595 9.167 1.00 0.00 C ATOM 620 NE ARG A 40 -0.582 12.894 8.486 1.00 0.00 N ATOM 621 CZ ARG A 40 -1.072 14.011 9.044 1.00 0.00 C ATOM 622 NH1 ARG A 40 -1.515 14.017 10.300 1.00 0.00 N ATOM 623 NH2 ARG A 40 -1.117 15.130 8.336 1.00 0.00 N ATOM 0 H ARG A 40 0.964 10.524 5.291 1.00 0.00 H new ATOM 0 HA ARG A 40 0.024 8.180 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.017 11.042 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.761 9.806 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.328 9.625 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.073 10.860 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.468 11.282 9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.137 11.705 10.060 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.258 12.950 7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.485 13.162 10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.884 14.877 10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.780 15.138 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.488 15.983 8.754 1.00 0.00 H new ATOM 637 N ASN A 41 -1.003 8.604 3.886 1.00 0.00 N ATOM 638 CA ASN A 41 -1.953 8.208 2.845 1.00 0.00 C ATOM 639 C ASN A 41 -1.773 6.727 2.478 1.00 0.00 C ATOM 640 O ASN A 41 -1.220 6.394 1.422 1.00 0.00 O ATOM 641 CB ASN A 41 -1.795 9.132 1.608 1.00 0.00 C ATOM 642 CG ASN A 41 -2.799 8.881 0.470 1.00 0.00 C ATOM 643 OD1 ASN A 41 -3.343 7.664 0.375 1.00 0.00 O flip ATOM 644 ND2 ASN A 41 -3.050 9.771 -0.343 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.078 8.855 3.536 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.968 8.323 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.891 10.168 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.786 9.014 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.618 10.690 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.690 9.590 -1.117 1.00 0.00 H new ATOM 651 N ASN A 42 -2.276 5.844 3.352 1.00 0.00 N ATOM 652 CA ASN A 42 -2.214 4.395 3.134 1.00 0.00 C ATOM 653 C ASN A 42 -3.295 3.674 3.922 1.00 0.00 C ATOM 654 O ASN A 42 -3.498 3.945 5.110 1.00 0.00 O ATOM 655 CB ASN A 42 -0.869 3.791 3.529 1.00 0.00 C ATOM 656 CG ASN A 42 0.245 4.082 2.544 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.741 5.205 2.456 1.00 0.00 O ATOM 658 ND2 ASN A 42 0.642 3.064 1.792 1.00 0.00 N ATOM 0 H ASN A 42 -2.734 6.113 4.223 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.362 4.259 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.584 4.173 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.981 2.711 3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.387 3.196 1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.203 2.150 1.898 1.00 0.00 H new ATOM 665 N PHE A 43 -3.970 2.746 3.247 1.00 0.00 N ATOM 666 CA PHE A 43 -5.031 1.949 3.853 1.00 0.00 C ATOM 667 C PHE A 43 -4.862 0.472 3.485 1.00 0.00 C ATOM 668 O PHE A 43 -5.117 0.076 2.346 1.00 0.00 O ATOM 669 CB PHE A 43 -6.401 2.462 3.392 1.00 0.00 C ATOM 670 CG PHE A 43 -6.887 3.696 4.110 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.342 4.945 3.840 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.906 3.604 5.044 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.802 6.073 4.493 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.370 4.730 5.698 1.00 0.00 C ATOM 675 CZ PHE A 43 -7.817 5.965 5.423 1.00 0.00 C ATOM 0 H PHE A 43 -3.796 2.527 2.266 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.968 2.044 4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.353 2.675 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.135 1.668 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.550 5.036 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.343 2.641 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.368 7.038 4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.165 4.644 6.424 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.178 6.845 5.934 1.00 0.00 H new ATOM 685 N LYS A 44 -4.402 -0.338 4.450 1.00 0.00 N ATOM 686 CA LYS A 44 -4.168 -1.777 4.229 1.00 0.00 C ATOM 687 C LYS A 44 -5.485 -2.582 4.138 1.00 0.00 C ATOM 688 O LYS A 44 -5.456 -3.788 3.866 1.00 0.00 O ATOM 689 CB LYS A 44 -3.275 -2.327 5.365 1.00 0.00 C ATOM 690 CG LYS A 44 -2.656 -3.706 5.107 1.00 0.00 C ATOM 691 CD LYS A 44 -1.505 -3.651 4.104 1.00 0.00 C ATOM 692 CE LYS A 44 -0.897 -5.026 3.855 1.00 0.00 C ATOM 693 NZ LYS A 44 -0.190 -5.561 5.056 1.00 0.00 N ATOM 0 H LYS A 44 -4.183 -0.022 5.395 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.665 -1.893 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.470 -1.615 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.869 -2.379 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.294 -4.120 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.426 -4.383 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.865 -3.238 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.734 -2.975 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.684 -5.720 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.197 -4.965 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.306 -6.440 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.499 -4.859 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.882 -5.757 5.807 1.00 0.00 H new ATOM 707 N SER A 45 -6.625 -1.913 4.361 1.00 0.00 N ATOM 708 CA SER A 45 -7.931 -2.570 4.301 1.00 0.00 C ATOM 709 C SER A 45 -8.915 -1.781 3.444 1.00 0.00 C ATOM 710 O SER A 45 -9.024 -0.554 3.572 1.00 0.00 O ATOM 711 CB SER A 45 -8.501 -2.752 5.710 1.00 0.00 C ATOM 712 OG SER A 45 -7.642 -3.548 6.510 1.00 0.00 O ATOM 0 H SER A 45 -6.665 -0.919 4.584 1.00 0.00 H new ATOM 0 HA SER A 45 -7.787 -3.547 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.639 -1.777 6.178 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.484 -3.219 5.650 1.00 0.00 H new ATOM 0 HG SER A 45 -8.028 -3.648 7.405 1.00 0.00 H new ATOM 718 N ALA A 46 -9.643 -2.506 2.578 1.00 0.00 N ATOM 719 CA ALA A 46 -10.646 -1.909 1.684 1.00 0.00 C ATOM 720 C ALA A 46 -11.829 -1.340 2.472 1.00 0.00 C ATOM 721 O ALA A 46 -12.301 -0.237 2.178 1.00 0.00 O ATOM 722 CB ALA A 46 -11.125 -2.937 0.669 1.00 0.00 C ATOM 0 H ALA A 46 -9.553 -3.517 2.479 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.174 -1.082 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.867 -2.482 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.279 -3.283 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.572 -3.783 1.191 1.00 0.00 H new ATOM 728 N GLU A 47 -12.299 -2.112 3.475 1.00 0.00 N ATOM 729 CA GLU A 47 -13.433 -1.716 4.337 1.00 0.00 C ATOM 730 C GLU A 47 -13.231 -0.305 4.911 1.00 0.00 C ATOM 731 O GLU A 47 -14.071 0.578 4.703 1.00 0.00 O ATOM 732 CB GLU A 47 -13.634 -2.732 5.474 1.00 0.00 C ATOM 733 CG GLU A 47 -14.098 -4.109 5.002 1.00 0.00 C ATOM 734 CD GLU A 47 -14.297 -5.113 6.134 1.00 0.00 C ATOM 735 OE1 GLU A 47 -14.076 -4.758 7.314 1.00 0.00 O ATOM 736 OE2 GLU A 47 -14.677 -6.266 5.834 1.00 0.00 O ATOM 0 H GLU A 47 -11.905 -3.023 3.709 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.330 -1.704 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.696 -2.843 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.366 -2.335 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.036 -3.999 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.366 -4.508 4.300 1.00 0.00 H new ATOM 743 N ASP A 48 -12.097 -0.092 5.610 1.00 0.00 N ATOM 744 CA ASP A 48 -11.768 1.218 6.189 1.00 0.00 C ATOM 745 C ASP A 48 -11.553 2.254 5.081 1.00 0.00 C ATOM 746 O ASP A 48 -12.116 3.351 5.140 1.00 0.00 O ATOM 747 CB ASP A 48 -10.520 1.123 7.081 1.00 0.00 C ATOM 748 CG ASP A 48 -10.739 0.260 8.312 1.00 0.00 C ATOM 749 OD1 ASP A 48 -11.617 0.604 9.131 1.00 0.00 O ATOM 750 OD2 ASP A 48 -10.032 -0.759 8.454 1.00 0.00 O ATOM 0 H ASP A 48 -11.397 -0.813 5.785 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.607 1.537 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.694 0.715 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.225 2.125 7.393 1.00 0.00 H new ATOM 755 N CYS A 49 -10.727 1.886 4.073 1.00 0.00 N ATOM 756 CA CYS A 49 -10.419 2.769 2.929 1.00 0.00 C ATOM 757 C CYS A 49 -11.699 3.380 2.333 1.00 0.00 C ATOM 758 O CYS A 49 -11.766 4.585 2.110 1.00 0.00 O ATOM 759 CB CYS A 49 -9.635 2.012 1.847 1.00 0.00 C ATOM 760 SG CYS A 49 -9.098 3.058 0.456 1.00 0.00 S ATOM 0 H CYS A 49 -10.262 0.979 4.032 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.797 3.583 3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.758 1.552 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.255 1.203 1.462 1.00 0.00 H new ATOM 765 N MET A 50 -12.720 2.541 2.106 1.00 0.00 N ATOM 766 CA MET A 50 -14.000 2.996 1.566 1.00 0.00 C ATOM 767 C MET A 50 -14.775 3.837 2.593 1.00 0.00 C ATOM 768 O MET A 50 -15.348 4.875 2.251 1.00 0.00 O ATOM 769 CB MET A 50 -14.831 1.786 1.136 1.00 0.00 C ATOM 770 CG MET A 50 -14.330 1.107 -0.131 1.00 0.00 C ATOM 771 SD MET A 50 -15.337 -0.313 -0.602 1.00 0.00 S ATOM 772 CE MET A 50 -14.488 -0.851 -2.085 1.00 0.00 C ATOM 0 H MET A 50 -12.679 1.539 2.291 1.00 0.00 H new ATOM 0 HA MET A 50 -13.804 3.630 0.702 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.839 1.058 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.862 2.103 0.982 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.323 1.829 -0.947 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.300 0.784 0.018 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.993 -1.725 -2.497 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.496 -0.047 -2.821 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.457 -1.109 -1.841 1.00 0.00 H new ATOM 782 N ARG A 51 -14.778 3.379 3.857 1.00 0.00 N ATOM 783 CA ARG A 51 -15.477 4.076 4.952 1.00 0.00 C ATOM 784 C ARG A 51 -14.811 5.410 5.335 1.00 0.00 C ATOM 785 O ARG A 51 -15.420 6.226 6.034 1.00 0.00 O ATOM 786 CB ARG A 51 -15.563 3.173 6.191 1.00 0.00 C ATOM 787 CG ARG A 51 -16.478 1.967 6.018 1.00 0.00 C ATOM 788 CD ARG A 51 -16.519 1.115 7.275 1.00 0.00 C ATOM 789 NE ARG A 51 -17.397 -0.050 7.121 1.00 0.00 N ATOM 790 CZ ARG A 51 -17.620 -0.970 8.072 1.00 0.00 C ATOM 791 NH1 ARG A 51 -17.036 -0.883 9.266 1.00 0.00 N ATOM 792 NH2 ARG A 51 -18.435 -1.985 7.822 1.00 0.00 N ATOM 0 H ARG A 51 -14.302 2.525 4.147 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.477 4.304 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.562 2.823 6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.916 3.765 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -17.485 2.305 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.132 1.363 5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.511 0.780 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.864 1.721 8.113 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.872 -0.169 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.407 -0.107 9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.218 -1.592 9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.888 -2.063 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.609 -2.688 8.540 1.00 0.00 H new ATOM 806 N THR A 52 -13.565 5.621 4.885 1.00 0.00 N ATOM 807 CA THR A 52 -12.824 6.847 5.192 1.00 0.00 C ATOM 808 C THR A 52 -12.714 7.759 3.955 1.00 0.00 C ATOM 809 O THR A 52 -13.031 8.949 4.034 1.00 0.00 O ATOM 810 CB THR A 52 -11.426 6.493 5.743 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.518 5.465 6.715 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.707 7.657 6.405 1.00 0.00 C ATOM 0 H THR A 52 -13.052 4.956 4.307 1.00 0.00 H new ATOM 0 HA THR A 52 -13.373 7.399 5.955 1.00 0.00 H new ATOM 0 HB THR A 52 -10.856 6.183 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.722 4.614 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.733 7.326 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.572 8.461 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.300 8.021 7.244 1.00 0.00 H new ATOM 820 N CYS A 53 -12.247 7.198 2.830 1.00 0.00 N ATOM 821 CA CYS A 53 -12.073 7.964 1.588 1.00 0.00 C ATOM 822 C CYS A 53 -13.063 7.557 0.481 1.00 0.00 C ATOM 823 O CYS A 53 -12.851 7.894 -0.684 1.00 0.00 O ATOM 824 CB CYS A 53 -10.626 7.827 1.075 1.00 0.00 C ATOM 825 SG CYS A 53 -9.828 6.224 1.426 1.00 0.00 S ATOM 0 H CYS A 53 -11.983 6.216 2.755 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.284 9.005 1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.622 7.989 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.023 8.620 1.518 1.00 0.00 H new ATOM 830 N GLY A 54 -14.163 6.881 0.841 1.00 0.00 N ATOM 831 CA GLY A 54 -15.156 6.490 -0.154 1.00 0.00 C ATOM 832 C GLY A 54 -16.459 7.248 -0.001 1.00 0.00 C ATOM 833 O GLY A 54 -16.717 8.201 -0.742 1.00 0.00 O ATOM 0 H GLY A 54 -14.380 6.600 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.754 6.663 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.349 5.421 -0.069 1.00 0.00 H new ATOM 837 N GLY A 55 -17.277 6.819 0.965 1.00 0.00 N ATOM 838 CA GLY A 55 -18.559 7.461 1.216 1.00 0.00 C ATOM 839 C GLY A 55 -19.708 6.471 1.243 1.00 0.00 C ATOM 840 O GLY A 55 -20.217 6.076 0.189 1.00 0.00 O ATOM 0 H GLY A 55 -17.070 6.033 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.517 7.990 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.745 8.208 0.444 1.00 0.00 H new ATOM 844 N ALA A 56 -20.112 6.074 2.454 1.00 0.00 N ATOM 845 CA ALA A 56 -21.207 5.123 2.639 1.00 0.00 C ATOM 846 C ALA A 56 -22.496 5.840 3.022 1.00 0.00 C ATOM 847 O ALA A 56 -22.437 6.747 3.879 1.00 0.00 O ATOM 848 CB ALA A 56 -20.839 4.095 3.697 1.00 0.00 C ATOM 849 OXT ALA A 56 -23.556 5.489 2.461 1.00 0.00 O ATOM 0 H ALA A 56 -19.692 6.400 3.324 1.00 0.00 H new ATOM 0 HA ALA A 56 -21.374 4.610 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -21.663 3.393 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -19.947 3.553 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -20.643 4.600 4.643 1.00 0.00 H new TER 855 ALA A 56