USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= -5.96! C(o=-8.8!,f=-22!) USER MOD Set 1.2: A 31 GLN : amide:sc= -2.87 X(o=-8.8,f=-8.6!) USER MOD Single : A 1 ARG N :NH3+ 144:sc= 0.0261 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -27:sc= 0.882 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -23:sc= 0.309 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : A 35 TYR OH : rot -30:sc= -6.08! USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= 1.57 (180deg=0.658) USER MOD Single : A 43 ASN : amide:sc= -2.66! C(o=-2.7!,f=-8!) USER MOD Single : A 44 ASN : amide:sc= -9.99! C(o=-10!,f=-23!) USER MOD Single : A 46 LYS NZ :NH3+ -142:sc=-0.000549 (180deg=-0.0786) USER MOD Single : A 47 SER OG : rot 180:sc= 0.037 USER MOD Single : A 52 MET CE :methyl -151:sc= -3.53 (180deg=-4.67!) USER MOD Single : A 54 THR OG1 : rot 103:sc= 0.0227 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.402 -4.631 5.446 1.00 0.00 N ATOM 2 CA ARG A 1 13.138 -4.187 4.792 1.00 0.00 C ATOM 3 C ARG A 1 12.076 -5.285 4.902 1.00 0.00 C ATOM 4 O ARG A 1 12.384 -6.459 4.853 1.00 0.00 O ATOM 5 CB ARG A 1 13.521 -3.920 3.327 1.00 0.00 C ATOM 6 CG ARG A 1 12.324 -4.169 2.400 1.00 0.00 C ATOM 7 CD ARG A 1 12.354 -3.162 1.246 1.00 0.00 C ATOM 8 NE ARG A 1 13.248 -3.775 0.224 1.00 0.00 N ATOM 9 CZ ARG A 1 14.448 -3.297 0.036 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.635 -2.006 -0.015 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.461 -4.109 -0.099 1.00 0.00 N ATOM 0 H1 ARG A 1 15.216 -4.267 4.911 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.436 -4.266 6.419 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.437 -5.670 5.464 1.00 0.00 H new ATOM 0 HA ARG A 1 12.712 -3.299 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.865 -2.891 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.351 -4.566 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.358 -5.186 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.392 -4.072 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.355 -2.991 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.735 -2.195 1.575 1.00 0.00 H new ATOM 0 HE ARG A 1 12.922 -4.568 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.844 -1.371 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.572 -1.632 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.315 -5.118 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.398 -3.735 -0.246 1.00 0.00 H new ATOM 27 N PRO A 2 10.856 -4.853 5.041 1.00 0.00 N ATOM 28 CA PRO A 2 9.712 -5.792 5.153 1.00 0.00 C ATOM 29 C PRO A 2 9.480 -6.530 3.844 1.00 0.00 C ATOM 30 O PRO A 2 9.880 -6.088 2.784 1.00 0.00 O ATOM 31 CB PRO A 2 8.528 -4.884 5.457 1.00 0.00 C ATOM 32 CG PRO A 2 8.931 -3.545 4.931 1.00 0.00 C ATOM 33 CD PRO A 2 10.423 -3.454 5.105 1.00 0.00 C ATOM 0 HA PRO A 2 9.876 -6.557 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.620 -5.242 4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.324 -4.844 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.655 -3.440 3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.427 -2.746 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.884 -2.854 4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.690 -2.993 6.056 1.00 0.00 H new ATOM 41 N ASP A 3 8.814 -7.643 3.910 1.00 0.00 N ATOM 42 CA ASP A 3 8.527 -8.408 2.674 1.00 0.00 C ATOM 43 C ASP A 3 7.171 -7.976 2.119 1.00 0.00 C ATOM 44 O ASP A 3 6.929 -8.039 0.929 1.00 0.00 O ATOM 45 CB ASP A 3 8.492 -9.873 3.109 1.00 0.00 C ATOM 46 CG ASP A 3 9.833 -10.534 2.785 1.00 0.00 C ATOM 47 OD1 ASP A 3 10.482 -10.084 1.856 1.00 0.00 O ATOM 48 OD2 ASP A 3 10.185 -11.480 3.469 1.00 0.00 O ATOM 0 H ASP A 3 8.455 -8.057 4.770 1.00 0.00 H new ATOM 0 HA ASP A 3 9.269 -8.243 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.290 -9.941 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.684 -10.396 2.598 1.00 0.00 H new ATOM 53 N PHE A 4 6.281 -7.533 2.970 1.00 0.00 N ATOM 54 CA PHE A 4 4.943 -7.099 2.468 1.00 0.00 C ATOM 55 C PHE A 4 5.069 -5.830 1.625 1.00 0.00 C ATOM 56 O PHE A 4 4.267 -5.578 0.749 1.00 0.00 O ATOM 57 CB PHE A 4 4.065 -6.868 3.704 1.00 0.00 C ATOM 58 CG PHE A 4 4.587 -5.722 4.541 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.204 -4.401 4.257 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.435 -5.983 5.625 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.672 -3.353 5.052 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.897 -4.929 6.421 1.00 0.00 C ATOM 63 CZ PHE A 4 5.515 -3.615 6.133 1.00 0.00 C ATOM 0 H PHE A 4 6.420 -7.454 3.977 1.00 0.00 H new ATOM 0 HA PHE A 4 4.498 -7.855 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.042 -6.657 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.034 -7.776 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.548 -4.196 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.732 -6.997 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.381 -2.337 4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.549 -5.130 7.258 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.873 -2.802 6.748 1.00 0.00 H new ATOM 73 N CYS A 5 6.073 -5.036 1.869 1.00 0.00 N ATOM 74 CA CYS A 5 6.242 -3.795 1.062 1.00 0.00 C ATOM 75 C CYS A 5 6.658 -4.168 -0.359 1.00 0.00 C ATOM 76 O CYS A 5 6.337 -3.488 -1.313 1.00 0.00 O ATOM 77 CB CYS A 5 7.349 -3.005 1.760 1.00 0.00 C ATOM 78 SG CYS A 5 6.666 -2.151 3.203 1.00 0.00 S ATOM 0 H CYS A 5 6.780 -5.190 2.588 1.00 0.00 H new ATOM 0 HA CYS A 5 5.324 -3.212 0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.151 -3.676 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.785 -2.283 1.070 1.00 0.00 H new ATOM 83 N LEU A 6 7.360 -5.258 -0.507 1.00 0.00 N ATOM 84 CA LEU A 6 7.791 -5.690 -1.867 1.00 0.00 C ATOM 85 C LEU A 6 6.605 -6.295 -2.615 1.00 0.00 C ATOM 86 O LEU A 6 6.574 -6.335 -3.828 1.00 0.00 O ATOM 87 CB LEU A 6 8.868 -6.747 -1.630 1.00 0.00 C ATOM 88 CG LEU A 6 9.893 -6.215 -0.630 1.00 0.00 C ATOM 89 CD1 LEU A 6 11.106 -7.145 -0.597 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.337 -4.814 -1.056 1.00 0.00 C ATOM 0 H LEU A 6 7.654 -5.868 0.255 1.00 0.00 H new ATOM 0 HA LEU A 6 8.166 -4.861 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.416 -7.663 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.358 -6.999 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 6 9.444 -6.170 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.837 -6.765 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.791 -8.144 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.557 -7.190 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.069 -4.432 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.786 -4.861 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.473 -4.150 -1.080 1.00 0.00 H new ATOM 102 N GLU A 7 5.625 -6.764 -1.894 1.00 0.00 N ATOM 103 CA GLU A 7 4.434 -7.364 -2.557 1.00 0.00 C ATOM 104 C GLU A 7 3.554 -6.256 -3.138 1.00 0.00 C ATOM 105 O GLU A 7 3.656 -5.111 -2.743 1.00 0.00 O ATOM 106 CB GLU A 7 3.693 -8.107 -1.445 1.00 0.00 C ATOM 107 CG GLU A 7 3.817 -9.616 -1.664 1.00 0.00 C ATOM 108 CD GLU A 7 3.059 -10.355 -0.560 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.892 -10.058 -0.369 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.659 -11.207 0.076 1.00 0.00 O ATOM 0 H GLU A 7 5.597 -6.758 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 7 4.704 -8.028 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.107 -7.835 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.643 -7.816 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.415 -9.887 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.867 -9.910 -1.659 1.00 0.00 H new ATOM 117 N PRO A 8 2.711 -6.634 -4.056 1.00 0.00 N ATOM 118 CA PRO A 8 1.798 -5.656 -4.695 1.00 0.00 C ATOM 119 C PRO A 8 0.718 -5.224 -3.702 1.00 0.00 C ATOM 120 O PRO A 8 0.574 -5.809 -2.647 1.00 0.00 O ATOM 121 CB PRO A 8 1.193 -6.438 -5.858 1.00 0.00 C ATOM 122 CG PRO A 8 1.303 -7.873 -5.456 1.00 0.00 C ATOM 123 CD PRO A 8 2.527 -7.991 -4.584 1.00 0.00 C ATOM 0 HA PRO A 8 2.297 -4.744 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.154 -6.154 -6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.731 -6.245 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.412 -8.192 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.391 -8.514 -6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.380 -8.716 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.395 -8.319 -5.155 1.00 0.00 H new ATOM 131 N PRO A 9 -0.010 -4.210 -4.076 1.00 0.00 N ATOM 132 CA PRO A 9 -1.094 -3.691 -3.207 1.00 0.00 C ATOM 133 C PRO A 9 -2.266 -4.677 -3.166 1.00 0.00 C ATOM 134 O PRO A 9 -2.277 -5.671 -3.865 1.00 0.00 O ATOM 135 CB PRO A 9 -1.490 -2.377 -3.875 1.00 0.00 C ATOM 136 CG PRO A 9 -1.080 -2.526 -5.305 1.00 0.00 C ATOM 137 CD PRO A 9 0.101 -3.461 -5.332 1.00 0.00 C ATOM 0 HA PRO A 9 -0.789 -3.553 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.562 -2.199 -3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.988 -1.530 -3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.901 -2.925 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.816 -1.559 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.065 -4.124 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.042 -2.914 -5.389 1.00 0.00 H new ATOM 145 N TYR A 10 -3.245 -4.415 -2.344 1.00 0.00 N ATOM 146 CA TYR A 10 -4.410 -5.345 -2.249 1.00 0.00 C ATOM 147 C TYR A 10 -5.721 -4.565 -2.243 1.00 0.00 C ATOM 148 O TYR A 10 -6.204 -4.142 -1.211 1.00 0.00 O ATOM 149 CB TYR A 10 -4.212 -6.078 -0.920 1.00 0.00 C ATOM 150 CG TYR A 10 -5.138 -7.267 -0.856 1.00 0.00 C ATOM 151 CD1 TYR A 10 -4.936 -8.358 -1.711 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.202 -7.277 0.053 1.00 0.00 C ATOM 153 CE1 TYR A 10 -5.799 -9.459 -1.655 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.066 -8.377 0.108 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.864 -9.469 -0.746 1.00 0.00 C ATOM 156 OH TYR A 10 -7.715 -10.553 -0.692 1.00 0.00 O ATOM 0 H TYR A 10 -3.290 -3.599 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.462 -6.030 -3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.177 -6.405 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.412 -5.403 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.115 -8.350 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.357 -6.436 0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.643 -10.301 -2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.888 -8.384 0.809 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.398 -10.399 -0.007 1.00 0.00 H new ATOM 166 N THR A 11 -6.314 -4.398 -3.392 1.00 0.00 N ATOM 167 CA THR A 11 -7.611 -3.677 -3.459 1.00 0.00 C ATOM 168 C THR A 11 -8.639 -4.469 -2.656 1.00 0.00 C ATOM 169 O THR A 11 -9.630 -3.943 -2.192 1.00 0.00 O ATOM 170 CB THR A 11 -7.973 -3.642 -4.948 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.319 -2.541 -5.565 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.487 -3.487 -5.116 1.00 0.00 C ATOM 0 H THR A 11 -5.955 -4.731 -4.287 1.00 0.00 H new ATOM 0 HA THR A 11 -7.573 -2.668 -3.048 1.00 0.00 H new ATOM 0 HB THR A 11 -7.653 -4.574 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.162 -1.839 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.735 -3.463 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.994 -4.329 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.812 -2.559 -4.647 1.00 0.00 H new ATOM 180 N GLY A 12 -8.397 -5.742 -2.491 1.00 0.00 N ATOM 181 CA GLY A 12 -9.347 -6.591 -1.717 1.00 0.00 C ATOM 182 C GLY A 12 -10.757 -6.464 -2.299 1.00 0.00 C ATOM 183 O GLY A 12 -10.935 -6.008 -3.411 1.00 0.00 O ATOM 0 H GLY A 12 -7.581 -6.231 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.025 -7.632 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.348 -6.288 -0.670 1.00 0.00 H new ATOM 187 N PRO A 13 -11.715 -6.882 -1.516 1.00 0.00 N ATOM 188 CA PRO A 13 -13.136 -6.827 -1.942 1.00 0.00 C ATOM 189 C PRO A 13 -13.659 -5.387 -1.882 1.00 0.00 C ATOM 190 O PRO A 13 -12.902 -4.439 -1.948 1.00 0.00 O ATOM 191 CB PRO A 13 -13.846 -7.711 -0.918 1.00 0.00 C ATOM 192 CG PRO A 13 -12.974 -7.684 0.296 1.00 0.00 C ATOM 193 CD PRO A 13 -11.561 -7.443 -0.171 1.00 0.00 C ATOM 0 HA PRO A 13 -13.292 -7.160 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.843 -7.332 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.968 -8.727 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.292 -6.897 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.043 -8.626 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.036 -6.753 0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.985 -8.368 -0.189 1.00 0.00 H new ATOM 201 N CYS A 14 -14.950 -5.216 -1.758 1.00 0.00 N ATOM 202 CA CYS A 14 -15.524 -3.841 -1.691 1.00 0.00 C ATOM 203 C CYS A 14 -15.254 -3.086 -2.995 1.00 0.00 C ATOM 204 O CYS A 14 -14.244 -3.281 -3.640 1.00 0.00 O ATOM 205 CB CYS A 14 -14.812 -3.165 -0.515 1.00 0.00 C ATOM 206 SG CYS A 14 -14.835 -4.272 0.918 1.00 0.00 S ATOM 0 H CYS A 14 -15.632 -5.972 -1.700 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.605 -3.854 -1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.784 -2.925 -0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.304 -2.224 -0.270 1.00 0.00 H new ATOM 211 N LYS A 15 -16.154 -2.226 -3.389 1.00 0.00 N ATOM 212 CA LYS A 15 -15.955 -1.459 -4.652 1.00 0.00 C ATOM 213 C LYS A 15 -15.392 -0.070 -4.343 1.00 0.00 C ATOM 214 O LYS A 15 -15.335 0.793 -5.196 1.00 0.00 O ATOM 215 CB LYS A 15 -17.351 -1.345 -5.269 1.00 0.00 C ATOM 216 CG LYS A 15 -17.357 -2.000 -6.651 1.00 0.00 C ATOM 217 CD LYS A 15 -18.455 -1.372 -7.512 1.00 0.00 C ATOM 218 CE LYS A 15 -19.825 -1.708 -6.920 1.00 0.00 C ATOM 219 NZ LYS A 15 -20.343 -2.825 -7.759 1.00 0.00 N ATOM 0 H LYS A 15 -17.020 -2.021 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.249 -1.946 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.085 -1.827 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.639 -0.297 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.387 -1.871 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.525 -3.073 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.322 -0.291 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.388 -1.745 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.741 -2.005 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.492 -0.846 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.281 -3.112 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.418 -2.511 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.691 -3.633 -7.702 1.00 0.00 H new ATOM 233 N ALA A 16 -14.977 0.154 -3.126 1.00 0.00 N ATOM 234 CA ALA A 16 -14.422 1.488 -2.762 1.00 0.00 C ATOM 235 C ALA A 16 -13.323 1.900 -3.746 1.00 0.00 C ATOM 236 O ALA A 16 -12.821 1.094 -4.506 1.00 0.00 O ATOM 237 CB ALA A 16 -13.839 1.303 -1.361 1.00 0.00 C ATOM 0 H ALA A 16 -14.998 -0.529 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.181 2.269 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.409 2.244 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.629 0.995 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.063 0.538 -1.388 1.00 0.00 H new ATOM 243 N ARG A 17 -12.944 3.148 -3.735 1.00 0.00 N ATOM 244 CA ARG A 17 -11.874 3.615 -4.661 1.00 0.00 C ATOM 245 C ARG A 17 -11.052 4.717 -3.993 1.00 0.00 C ATOM 246 O ARG A 17 -11.058 5.857 -4.412 1.00 0.00 O ATOM 247 CB ARG A 17 -12.611 4.153 -5.890 1.00 0.00 C ATOM 248 CG ARG A 17 -11.621 4.875 -6.806 1.00 0.00 C ATOM 249 CD ARG A 17 -11.718 4.300 -8.221 1.00 0.00 C ATOM 250 NE ARG A 17 -12.085 5.458 -9.083 1.00 0.00 N ATOM 251 CZ ARG A 17 -11.154 6.131 -9.702 1.00 0.00 C ATOM 252 NH1 ARG A 17 -10.102 6.541 -9.048 1.00 0.00 N ATOM 253 NH2 ARG A 17 -11.276 6.396 -10.975 1.00 0.00 N ATOM 0 H ARG A 17 -13.330 3.867 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.180 2.819 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.089 3.334 -6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.402 4.837 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.837 5.943 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.606 4.760 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.771 3.859 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.470 3.513 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.064 5.725 -9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.008 6.335 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.374 7.067 -9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.099 6.077 -11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.548 6.922 -11.458 1.00 0.00 H new ATOM 267 N ILE A 18 -10.343 4.377 -2.953 1.00 0.00 N ATOM 268 CA ILE A 18 -9.513 5.396 -2.248 1.00 0.00 C ATOM 269 C ILE A 18 -8.063 5.315 -2.729 1.00 0.00 C ATOM 270 O ILE A 18 -7.596 4.275 -3.148 1.00 0.00 O ATOM 271 CB ILE A 18 -9.611 5.029 -0.766 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.039 5.283 -0.274 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.635 5.889 0.040 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.107 5.059 1.237 1.00 0.00 C ATOM 0 H ILE A 18 -10.302 3.437 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.854 6.414 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.360 3.976 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.342 6.302 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.734 4.615 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.705 5.627 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.618 5.712 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.885 6.942 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.124 5.240 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.822 4.032 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.424 5.745 1.738 1.00 0.00 H new ATOM 286 N ILE A 19 -7.347 6.405 -2.676 1.00 0.00 N ATOM 287 CA ILE A 19 -5.931 6.388 -3.136 1.00 0.00 C ATOM 288 C ILE A 19 -4.997 6.019 -1.980 1.00 0.00 C ATOM 289 O ILE A 19 -4.440 6.874 -1.322 1.00 0.00 O ATOM 290 CB ILE A 19 -5.652 7.812 -3.615 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.603 8.155 -4.765 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.207 7.913 -4.102 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.292 7.264 -5.968 1.00 0.00 C ATOM 0 H ILE A 19 -7.682 7.306 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.765 5.652 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.806 8.510 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.637 8.012 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.495 9.205 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.008 8.929 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.529 7.666 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.051 7.216 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.969 7.508 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.263 7.429 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.422 6.218 -5.690 1.00 0.00 H new ATOM 305 N ARG A 20 -4.818 4.750 -1.733 1.00 0.00 N ATOM 306 CA ARG A 20 -3.913 4.326 -0.627 1.00 0.00 C ATOM 307 C ARG A 20 -2.469 4.277 -1.129 1.00 0.00 C ATOM 308 O ARG A 20 -2.216 4.352 -2.314 1.00 0.00 O ATOM 309 CB ARG A 20 -4.395 2.932 -0.231 1.00 0.00 C ATOM 310 CG ARG A 20 -5.523 3.057 0.796 1.00 0.00 C ATOM 311 CD ARG A 20 -4.961 3.618 2.104 1.00 0.00 C ATOM 312 NE ARG A 20 -5.988 4.585 2.579 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.682 4.323 3.653 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.099 3.790 4.691 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.958 4.591 3.685 1.00 0.00 N ATOM 0 H ARG A 20 -5.259 3.989 -2.249 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.935 5.014 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.747 2.393 -1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.570 2.355 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.306 3.711 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.979 2.083 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.796 2.826 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.001 4.109 1.943 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.149 5.452 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.102 3.578 4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.641 3.585 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.413 5.005 2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.501 4.387 4.524 1.00 0.00 H new ATOM 329 N TYR A 21 -1.519 4.156 -0.243 1.00 0.00 N ATOM 330 CA TYR A 21 -0.095 4.113 -0.683 1.00 0.00 C ATOM 331 C TYR A 21 0.497 2.718 -0.483 1.00 0.00 C ATOM 332 O TYR A 21 0.126 1.995 0.421 1.00 0.00 O ATOM 333 CB TYR A 21 0.628 5.119 0.213 1.00 0.00 C ATOM 334 CG TYR A 21 0.432 6.512 -0.327 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.661 7.276 0.096 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.345 7.041 -1.245 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.842 8.572 -0.400 1.00 0.00 C ATOM 338 CE2 TYR A 21 1.166 8.337 -1.743 1.00 0.00 C ATOM 339 CZ TYR A 21 0.071 9.103 -1.320 1.00 0.00 C ATOM 340 OH TYR A 21 -0.107 10.381 -1.811 1.00 0.00 O ATOM 0 H TYR A 21 -1.666 4.085 0.764 1.00 0.00 H new ATOM 0 HA TYR A 21 0.004 4.349 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.244 5.056 1.231 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.691 4.882 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.365 6.866 0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.188 6.450 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.685 9.163 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.871 8.746 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 21 0.616 10.594 -2.437 1.00 0.00 H new ATOM 350 N PHE A 22 1.433 2.349 -1.312 1.00 0.00 N ATOM 351 CA PHE A 22 2.083 1.015 -1.172 1.00 0.00 C ATOM 352 C PHE A 22 3.502 1.076 -1.741 1.00 0.00 C ATOM 353 O PHE A 22 3.837 1.958 -2.506 1.00 0.00 O ATOM 354 CB PHE A 22 1.201 0.040 -1.960 1.00 0.00 C ATOM 355 CG PHE A 22 1.579 0.039 -3.425 1.00 0.00 C ATOM 356 CD1 PHE A 22 2.560 -0.849 -3.891 1.00 0.00 C ATOM 357 CD2 PHE A 22 0.949 0.918 -4.315 1.00 0.00 C ATOM 358 CE1 PHE A 22 2.910 -0.856 -5.247 1.00 0.00 C ATOM 359 CE2 PHE A 22 1.301 0.911 -5.672 1.00 0.00 C ATOM 360 CZ PHE A 22 2.282 0.024 -6.137 1.00 0.00 C ATOM 0 H PHE A 22 1.778 2.917 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 22 2.172 0.698 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.307 -0.965 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.153 0.320 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.045 -1.527 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.193 1.601 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.664 -1.540 -5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.816 1.589 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.554 0.019 -7.182 1.00 0.00 H new ATOM 370 N TYR A 23 4.336 0.155 -1.368 1.00 0.00 N ATOM 371 CA TYR A 23 5.740 0.171 -1.879 1.00 0.00 C ATOM 372 C TYR A 23 5.852 -0.636 -3.178 1.00 0.00 C ATOM 373 O TYR A 23 5.444 -1.779 -3.247 1.00 0.00 O ATOM 374 CB TYR A 23 6.572 -0.478 -0.770 1.00 0.00 C ATOM 375 CG TYR A 23 8.033 -0.422 -1.145 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.706 0.806 -1.152 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.712 -1.594 -1.497 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.058 0.862 -1.507 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.065 -1.539 -1.854 1.00 0.00 C ATOM 380 CZ TYR A 23 10.738 -0.311 -1.860 1.00 0.00 C ATOM 381 OH TYR A 23 12.071 -0.257 -2.211 1.00 0.00 O ATOM 0 H TYR A 23 4.113 -0.611 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 23 6.080 1.181 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.407 0.040 0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.261 -1.513 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.181 1.711 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.193 -2.541 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.577 1.809 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.589 -2.444 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 23 12.292 0.647 -2.518 1.00 0.00 H new ATOM 391 N ASN A 24 6.405 -0.051 -4.207 1.00 0.00 N ATOM 392 CA ASN A 24 6.547 -0.783 -5.501 1.00 0.00 C ATOM 393 C ASN A 24 7.982 -1.280 -5.670 1.00 0.00 C ATOM 394 O ASN A 24 8.811 -0.616 -6.259 1.00 0.00 O ATOM 395 CB ASN A 24 6.221 0.250 -6.578 1.00 0.00 C ATOM 396 CG ASN A 24 6.446 -0.365 -7.961 1.00 0.00 C ATOM 397 OD1 ASN A 24 6.878 -1.495 -8.073 1.00 0.00 O ATOM 398 ND2 ASN A 24 6.169 0.334 -9.025 1.00 0.00 N ATOM 0 H ASN A 24 6.765 0.903 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 24 5.894 -1.654 -5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.187 0.580 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.850 1.131 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.315 -0.068 -9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.806 1.283 -8.932 1.00 0.00 H new ATOM 405 N ALA A 25 8.287 -2.444 -5.167 1.00 0.00 N ATOM 406 CA ALA A 25 9.674 -2.968 -5.314 1.00 0.00 C ATOM 407 C ALA A 25 10.149 -2.770 -6.754 1.00 0.00 C ATOM 408 O ALA A 25 11.332 -2.684 -7.023 1.00 0.00 O ATOM 409 CB ALA A 25 9.581 -4.455 -4.973 1.00 0.00 C ATOM 0 H ALA A 25 7.641 -3.052 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 25 10.385 -2.455 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.567 -4.911 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.215 -4.572 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.894 -4.944 -5.663 1.00 0.00 H new ATOM 415 N LYS A 26 9.236 -2.689 -7.682 1.00 0.00 N ATOM 416 CA LYS A 26 9.631 -2.487 -9.102 1.00 0.00 C ATOM 417 C LYS A 26 10.066 -1.036 -9.317 1.00 0.00 C ATOM 418 O LYS A 26 10.848 -0.735 -10.197 1.00 0.00 O ATOM 419 CB LYS A 26 8.372 -2.795 -9.914 1.00 0.00 C ATOM 420 CG LYS A 26 8.770 -3.388 -11.266 1.00 0.00 C ATOM 421 CD LYS A 26 9.388 -4.771 -11.054 1.00 0.00 C ATOM 422 CE LYS A 26 8.540 -5.826 -11.767 1.00 0.00 C ATOM 423 NZ LYS A 26 9.476 -6.497 -12.710 1.00 0.00 N ATOM 0 H LYS A 26 8.232 -2.754 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 26 10.467 -3.122 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.738 -3.495 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.790 -1.885 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.896 -3.464 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.482 -2.733 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.407 -4.788 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.446 -4.995 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.116 -6.537 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.705 -5.369 -12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.968 -7.235 -13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.858 -5.797 -13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.257 -6.929 -12.176 1.00 0.00 H new ATOM 437 N ALA A 27 9.565 -0.132 -8.518 1.00 0.00 N ATOM 438 CA ALA A 27 9.953 1.298 -8.679 1.00 0.00 C ATOM 439 C ALA A 27 11.082 1.653 -7.709 1.00 0.00 C ATOM 440 O ALA A 27 11.973 2.413 -8.031 1.00 0.00 O ATOM 441 CB ALA A 27 8.692 2.091 -8.344 1.00 0.00 C ATOM 0 H ALA A 27 8.906 -0.322 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 27 10.317 1.515 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.897 3.157 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.893 1.812 -9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.385 1.871 -7.322 1.00 0.00 H new ATOM 447 N GLY A 28 11.052 1.110 -6.524 1.00 0.00 N ATOM 448 CA GLY A 28 12.127 1.417 -5.538 1.00 0.00 C ATOM 449 C GLY A 28 11.573 2.320 -4.433 1.00 0.00 C ATOM 450 O GLY A 28 12.207 2.533 -3.419 1.00 0.00 O ATOM 0 H GLY A 28 10.331 0.468 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.512 0.493 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.962 1.908 -6.037 1.00 0.00 H new ATOM 454 N LEU A 29 10.396 2.853 -4.618 1.00 0.00 N ATOM 455 CA LEU A 29 9.807 3.738 -3.577 1.00 0.00 C ATOM 456 C LEU A 29 8.347 3.355 -3.331 1.00 0.00 C ATOM 457 O LEU A 29 7.983 2.196 -3.377 1.00 0.00 O ATOM 458 CB LEU A 29 9.904 5.151 -4.155 1.00 0.00 C ATOM 459 CG LEU A 29 11.319 5.388 -4.686 1.00 0.00 C ATOM 460 CD1 LEU A 29 11.322 5.253 -6.209 1.00 0.00 C ATOM 461 CD2 LEU A 29 11.779 6.795 -4.298 1.00 0.00 C ATOM 0 H LEU A 29 9.818 2.713 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 29 10.324 3.656 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.177 5.278 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.664 5.887 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 29 11.997 4.651 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.330 5.422 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.994 4.251 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.644 5.989 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.787 6.965 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.101 7.531 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.777 6.892 -3.212 1.00 0.00 H new ATOM 473 N CYS A 30 7.511 4.320 -3.072 1.00 0.00 N ATOM 474 CA CYS A 30 6.072 4.013 -2.814 1.00 0.00 C ATOM 475 C CYS A 30 5.180 4.638 -3.887 1.00 0.00 C ATOM 476 O CYS A 30 5.536 5.608 -4.527 1.00 0.00 O ATOM 477 CB CYS A 30 5.764 4.639 -1.452 1.00 0.00 C ATOM 478 SG CYS A 30 6.546 3.665 -0.142 1.00 0.00 S ATOM 0 H CYS A 30 7.759 5.308 -3.027 1.00 0.00 H new ATOM 0 HA CYS A 30 5.885 2.939 -2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.129 5.666 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.686 4.679 -1.295 1.00 0.00 H new ATOM 483 N GLN A 31 4.010 4.090 -4.073 1.00 0.00 N ATOM 484 CA GLN A 31 3.067 4.640 -5.087 1.00 0.00 C ATOM 485 C GLN A 31 1.629 4.503 -4.578 1.00 0.00 C ATOM 486 O GLN A 31 1.370 3.820 -3.607 1.00 0.00 O ATOM 487 CB GLN A 31 3.281 3.786 -6.337 1.00 0.00 C ATOM 488 CG GLN A 31 4.768 3.775 -6.697 1.00 0.00 C ATOM 489 CD GLN A 31 4.929 3.639 -8.210 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.956 3.618 -8.939 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.128 3.553 -8.718 1.00 0.00 N ATOM 0 H GLN A 31 3.665 3.278 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 31 3.240 5.697 -5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.931 2.769 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.698 4.184 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.243 4.694 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.268 2.949 -6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.944 3.571 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.249 3.468 -9.727 1.00 0.00 H new ATOM 500 N THR A 32 0.693 5.148 -5.215 1.00 0.00 N ATOM 501 CA THR A 32 -0.720 5.049 -4.750 1.00 0.00 C ATOM 502 C THR A 32 -1.480 3.985 -5.545 1.00 0.00 C ATOM 503 O THR A 32 -1.256 3.797 -6.725 1.00 0.00 O ATOM 504 CB THR A 32 -1.317 6.435 -4.999 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.821 6.949 -6.228 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.927 7.373 -3.855 1.00 0.00 C ATOM 0 H THR A 32 0.843 5.737 -6.034 1.00 0.00 H new ATOM 0 HA THR A 32 -0.784 4.757 -3.702 1.00 0.00 H new ATOM 0 HB THR A 32 -2.403 6.360 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.204 7.836 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.353 8.361 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.309 6.977 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.159 7.450 -3.802 1.00 0.00 H new ATOM 514 N PHE A 33 -2.382 3.290 -4.903 1.00 0.00 N ATOM 515 CA PHE A 33 -3.169 2.238 -5.615 1.00 0.00 C ATOM 516 C PHE A 33 -4.634 2.278 -5.167 1.00 0.00 C ATOM 517 O PHE A 33 -4.975 2.897 -4.178 1.00 0.00 O ATOM 518 CB PHE A 33 -2.514 0.910 -5.226 1.00 0.00 C ATOM 519 CG PHE A 33 -2.911 0.523 -3.818 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.226 1.060 -2.719 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.962 -0.380 -3.611 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.591 0.696 -1.420 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.325 -0.746 -2.310 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.641 -0.207 -1.214 1.00 0.00 C ATOM 0 H PHE A 33 -2.609 3.405 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.167 2.383 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.816 0.129 -5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.430 0.997 -5.295 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.415 1.756 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.492 -0.794 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.063 1.111 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.133 -1.445 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.923 -0.488 -0.210 1.00 0.00 H new ATOM 534 N VAL A 34 -5.503 1.631 -5.895 1.00 0.00 N ATOM 535 CA VAL A 34 -6.948 1.639 -5.518 1.00 0.00 C ATOM 536 C VAL A 34 -7.196 0.709 -4.327 1.00 0.00 C ATOM 537 O VAL A 34 -7.058 -0.494 -4.428 1.00 0.00 O ATOM 538 CB VAL A 34 -7.683 1.132 -6.759 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.193 1.243 -6.541 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.281 1.978 -7.970 1.00 0.00 C ATOM 0 H VAL A 34 -5.276 1.097 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.289 2.630 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.417 0.090 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.716 0.881 -7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.481 0.642 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.459 2.285 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.804 1.617 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.547 3.020 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.205 1.900 -8.127 1.00 0.00 H new ATOM 550 N TYR A 35 -7.566 1.258 -3.201 1.00 0.00 N ATOM 551 CA TYR A 35 -7.822 0.408 -2.000 1.00 0.00 C ATOM 552 C TYR A 35 -9.313 0.048 -1.924 1.00 0.00 C ATOM 553 O TYR A 35 -10.163 0.808 -2.342 1.00 0.00 O ATOM 554 CB TYR A 35 -7.411 1.282 -0.813 1.00 0.00 C ATOM 555 CG TYR A 35 -7.719 0.566 0.481 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.561 -0.822 0.570 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.154 1.295 1.596 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.842 -1.484 1.773 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.434 0.633 2.797 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.278 -0.755 2.886 1.00 0.00 C ATOM 561 OH TYR A 35 -8.555 -1.409 4.071 1.00 0.00 O ATOM 0 H TYR A 35 -7.702 2.259 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.271 -0.532 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.347 1.510 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.943 2.233 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.222 -1.383 -0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.273 2.366 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.722 -2.555 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.771 1.194 3.656 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.865 -2.319 3.878 1.00 0.00 H new ATOM 571 N GLY A 36 -9.635 -1.108 -1.407 1.00 0.00 N ATOM 572 CA GLY A 36 -11.069 -1.515 -1.323 1.00 0.00 C ATOM 573 C GLY A 36 -11.676 -1.052 0.003 1.00 0.00 C ATOM 574 O GLY A 36 -12.848 -1.247 0.257 1.00 0.00 O ATOM 0 H GLY A 36 -8.969 -1.787 -1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.626 -1.084 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.152 -2.598 -1.410 1.00 0.00 H new ATOM 578 N ALA A 37 -10.893 -0.440 0.855 1.00 0.00 N ATOM 579 CA ALA A 37 -11.431 0.033 2.169 1.00 0.00 C ATOM 580 C ALA A 37 -11.691 -1.155 3.103 1.00 0.00 C ATOM 581 O ALA A 37 -12.263 -1.005 4.163 1.00 0.00 O ATOM 582 CB ALA A 37 -12.742 0.754 1.844 1.00 0.00 C ATOM 0 H ALA A 37 -9.904 -0.247 0.698 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.725 0.689 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.190 1.127 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.541 1.590 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.429 0.059 1.361 1.00 0.00 H new ATOM 588 N CYS A 38 -11.271 -2.332 2.721 1.00 0.00 N ATOM 589 CA CYS A 38 -11.492 -3.522 3.596 1.00 0.00 C ATOM 590 C CYS A 38 -10.417 -4.581 3.334 1.00 0.00 C ATOM 591 O CYS A 38 -9.604 -4.445 2.441 1.00 0.00 O ATOM 592 CB CYS A 38 -12.871 -4.054 3.208 1.00 0.00 C ATOM 593 SG CYS A 38 -12.892 -4.442 1.441 1.00 0.00 S ATOM 0 H CYS A 38 -10.786 -2.521 1.844 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.437 -3.268 4.655 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.106 -4.945 3.790 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.636 -3.313 3.438 1.00 0.00 H new ATOM 598 N ARG A 39 -10.407 -5.633 4.109 1.00 0.00 N ATOM 599 CA ARG A 39 -9.386 -6.705 3.911 1.00 0.00 C ATOM 600 C ARG A 39 -8.019 -6.088 3.599 1.00 0.00 C ATOM 601 O ARG A 39 -7.225 -6.648 2.870 1.00 0.00 O ATOM 602 CB ARG A 39 -9.892 -7.516 2.717 1.00 0.00 C ATOM 603 CG ARG A 39 -9.706 -9.010 2.998 1.00 0.00 C ATOM 604 CD ARG A 39 -10.969 -9.769 2.586 1.00 0.00 C ATOM 605 NE ARG A 39 -10.781 -11.146 3.120 1.00 0.00 N ATOM 606 CZ ARG A 39 -11.240 -12.171 2.457 1.00 0.00 C ATOM 607 NH1 ARG A 39 -12.510 -12.465 2.507 1.00 0.00 N ATOM 608 NH2 ARG A 39 -10.428 -12.903 1.744 1.00 0.00 N ATOM 0 H ARG A 39 -11.063 -5.797 4.873 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.258 -7.322 4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.944 -7.298 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.348 -7.234 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.845 -9.390 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.503 -9.169 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.863 -9.303 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.088 -9.778 1.503 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.293 -11.288 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.144 -11.893 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.869 -13.267 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.435 -12.673 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.786 -13.705 1.225 1.00 0.00 H new ATOM 622 N ALA A 40 -7.739 -4.936 4.145 1.00 0.00 N ATOM 623 CA ALA A 40 -6.426 -4.282 3.876 1.00 0.00 C ATOM 624 C ALA A 40 -5.277 -5.132 4.426 1.00 0.00 C ATOM 625 O ALA A 40 -5.457 -5.939 5.316 1.00 0.00 O ATOM 626 CB ALA A 40 -6.494 -2.943 4.611 1.00 0.00 C ATOM 0 H ALA A 40 -8.362 -4.419 4.766 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.243 -4.159 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.562 -2.398 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.324 -2.355 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.645 -3.120 5.676 1.00 0.00 H new ATOM 632 N LYS A 41 -4.096 -4.951 3.901 1.00 0.00 N ATOM 633 CA LYS A 41 -2.926 -5.738 4.389 1.00 0.00 C ATOM 634 C LYS A 41 -1.790 -4.787 4.776 1.00 0.00 C ATOM 635 O LYS A 41 -2.009 -3.617 5.021 1.00 0.00 O ATOM 636 CB LYS A 41 -2.513 -6.613 3.205 1.00 0.00 C ATOM 637 CG LYS A 41 -3.681 -7.512 2.801 1.00 0.00 C ATOM 638 CD LYS A 41 -3.274 -8.369 1.602 1.00 0.00 C ATOM 639 CE LYS A 41 -4.194 -9.588 1.509 1.00 0.00 C ATOM 640 NZ LYS A 41 -3.769 -10.296 0.269 1.00 0.00 N ATOM 0 H LYS A 41 -3.890 -4.290 3.152 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.162 -6.336 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.214 -5.987 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.649 -7.221 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.969 -8.150 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.551 -6.905 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.336 -7.783 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.237 -8.690 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.091 -10.229 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.241 -9.289 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.049 -11.296 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.225 -9.856 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.736 -10.231 0.169 1.00 0.00 H new ATOM 654 N ARG A 42 -0.580 -5.272 4.830 1.00 0.00 N ATOM 655 CA ARG A 42 0.558 -4.379 5.198 1.00 0.00 C ATOM 656 C ARG A 42 0.943 -3.512 3.996 1.00 0.00 C ATOM 657 O ARG A 42 1.582 -2.488 4.136 1.00 0.00 O ATOM 658 CB ARG A 42 1.714 -5.311 5.583 1.00 0.00 C ATOM 659 CG ARG A 42 1.175 -6.542 6.318 1.00 0.00 C ATOM 660 CD ARG A 42 2.220 -7.041 7.317 1.00 0.00 C ATOM 661 NE ARG A 42 2.303 -8.509 7.083 1.00 0.00 N ATOM 662 CZ ARG A 42 1.781 -9.338 7.946 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.486 -9.394 8.097 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.555 -10.113 8.656 1.00 0.00 N ATOM 0 H ARG A 42 -0.330 -6.242 4.637 1.00 0.00 H new ATOM 0 HA ARG A 42 0.303 -3.707 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.256 -5.620 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.423 -4.780 6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.250 -6.292 6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.936 -7.329 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.184 -6.560 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.923 -6.820 8.342 1.00 0.00 H new ATOM 0 HE ARG A 42 2.768 -8.867 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.119 -8.790 7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.079 -10.042 8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.567 -10.071 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.148 -10.761 9.330 1.00 0.00 H new ATOM 678 N ASN A 43 0.553 -3.914 2.816 1.00 0.00 N ATOM 679 CA ASN A 43 0.888 -3.112 1.604 1.00 0.00 C ATOM 680 C ASN A 43 -0.256 -2.142 1.294 1.00 0.00 C ATOM 681 O ASN A 43 -0.911 -2.242 0.277 1.00 0.00 O ATOM 682 CB ASN A 43 1.046 -4.134 0.478 1.00 0.00 C ATOM 683 CG ASN A 43 2.014 -3.588 -0.572 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.607 -3.211 -1.653 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.289 -3.530 -0.298 1.00 0.00 N ATOM 0 H ASN A 43 0.017 -4.763 2.639 1.00 0.00 H new ATOM 0 HA ASN A 43 1.791 -2.516 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.420 -5.077 0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.078 -4.342 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.944 -3.168 -0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.631 -3.846 0.610 1.00 0.00 H new ATOM 692 N ASN A 44 -0.502 -1.213 2.172 1.00 0.00 N ATOM 693 CA ASN A 44 -1.608 -0.238 1.943 1.00 0.00 C ATOM 694 C ASN A 44 -1.511 0.892 2.971 1.00 0.00 C ATOM 695 O ASN A 44 -2.199 0.894 3.972 1.00 0.00 O ATOM 696 CB ASN A 44 -2.886 -1.056 2.146 1.00 0.00 C ATOM 697 CG ASN A 44 -4.106 -0.133 2.134 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.972 1.071 2.057 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.300 -0.657 2.201 1.00 0.00 N ATOM 0 H ASN A 44 0.015 -1.084 3.042 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.577 0.225 0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.978 -1.804 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.836 -1.594 3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.123 -0.054 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.410 -1.669 2.266 1.00 0.00 H new ATOM 706 N PHE A 45 -0.653 1.846 2.734 1.00 0.00 N ATOM 707 CA PHE A 45 -0.498 2.968 3.704 1.00 0.00 C ATOM 708 C PHE A 45 -1.431 4.124 3.325 1.00 0.00 C ATOM 709 O PHE A 45 -1.862 4.244 2.196 1.00 0.00 O ATOM 710 CB PHE A 45 0.975 3.378 3.590 1.00 0.00 C ATOM 711 CG PHE A 45 1.840 2.133 3.587 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.138 1.480 4.790 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.332 1.626 2.375 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.927 0.320 4.783 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.119 0.464 2.368 1.00 0.00 C ATOM 716 CZ PHE A 45 3.416 -0.189 3.572 1.00 0.00 C ATOM 0 H PHE A 45 -0.053 1.898 1.911 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.758 2.686 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.136 3.950 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.250 4.025 4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.760 1.870 5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.105 2.130 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.158 -0.181 5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.496 0.073 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.021 -1.084 3.567 1.00 0.00 H new ATOM 726 N LYS A 46 -1.761 4.969 4.265 1.00 0.00 N ATOM 727 CA LYS A 46 -2.681 6.104 3.959 1.00 0.00 C ATOM 728 C LYS A 46 -1.897 7.297 3.409 1.00 0.00 C ATOM 729 O LYS A 46 -2.460 8.214 2.843 1.00 0.00 O ATOM 730 CB LYS A 46 -3.326 6.457 5.298 1.00 0.00 C ATOM 731 CG LYS A 46 -4.201 7.702 5.133 1.00 0.00 C ATOM 732 CD LYS A 46 -4.885 8.021 6.464 1.00 0.00 C ATOM 733 CE LYS A 46 -6.146 8.847 6.204 1.00 0.00 C ATOM 734 NZ LYS A 46 -7.194 7.847 5.855 1.00 0.00 N ATOM 0 H LYS A 46 -1.434 4.923 5.230 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.421 5.842 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.928 5.621 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.556 6.638 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.593 8.548 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.949 7.535 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.143 7.098 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.204 8.572 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.428 9.425 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.992 9.558 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.802 8.230 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.742 6.972 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.771 7.641 6.696 1.00 0.00 H new ATOM 748 N SER A 47 -0.604 7.293 3.567 1.00 0.00 N ATOM 749 CA SER A 47 0.212 8.429 3.052 1.00 0.00 C ATOM 750 C SER A 47 1.557 7.922 2.537 1.00 0.00 C ATOM 751 O SER A 47 2.016 6.863 2.911 1.00 0.00 O ATOM 752 CB SER A 47 0.413 9.351 4.252 1.00 0.00 C ATOM 753 OG SER A 47 1.190 8.679 5.234 1.00 0.00 O ATOM 0 H SER A 47 -0.076 6.553 4.030 1.00 0.00 H new ATOM 0 HA SER A 47 -0.274 8.941 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.913 10.268 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.552 9.639 4.669 1.00 0.00 H new ATOM 0 HG SER A 47 1.323 9.268 6.006 1.00 0.00 H new ATOM 759 N ALA A 48 2.195 8.674 1.685 1.00 0.00 N ATOM 760 CA ALA A 48 3.515 8.233 1.152 1.00 0.00 C ATOM 761 C ALA A 48 4.545 8.201 2.282 1.00 0.00 C ATOM 762 O ALA A 48 5.530 7.492 2.219 1.00 0.00 O ATOM 763 CB ALA A 48 3.895 9.283 0.108 1.00 0.00 C ATOM 0 H ALA A 48 1.862 9.572 1.335 1.00 0.00 H new ATOM 0 HA ALA A 48 3.477 7.232 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.859 9.027 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.136 9.310 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.961 10.262 0.584 1.00 0.00 H new ATOM 769 N GLU A 49 4.322 8.965 3.317 1.00 0.00 N ATOM 770 CA GLU A 49 5.286 8.982 4.455 1.00 0.00 C ATOM 771 C GLU A 49 5.135 7.711 5.294 1.00 0.00 C ATOM 772 O GLU A 49 6.080 7.235 5.891 1.00 0.00 O ATOM 773 CB GLU A 49 4.913 10.216 5.277 1.00 0.00 C ATOM 774 CG GLU A 49 5.087 11.474 4.423 1.00 0.00 C ATOM 775 CD GLU A 49 6.576 11.807 4.299 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.382 10.978 4.688 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.884 12.885 3.817 1.00 0.00 O ATOM 0 H GLU A 49 3.514 9.578 3.424 1.00 0.00 H new ATOM 0 HA GLU A 49 6.322 9.018 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.882 10.138 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.542 10.277 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.655 11.318 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.553 12.310 4.875 1.00 0.00 H new ATOM 784 N ASP A 50 3.956 7.153 5.341 1.00 0.00 N ATOM 785 CA ASP A 50 3.751 5.910 6.138 1.00 0.00 C ATOM 786 C ASP A 50 4.324 4.715 5.377 1.00 0.00 C ATOM 787 O ASP A 50 4.825 3.773 5.959 1.00 0.00 O ATOM 788 CB ASP A 50 2.235 5.774 6.287 1.00 0.00 C ATOM 789 CG ASP A 50 1.912 4.521 7.105 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.744 4.132 7.910 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.841 3.971 6.912 1.00 0.00 O ATOM 0 H ASP A 50 3.126 7.504 4.862 1.00 0.00 H new ATOM 0 HA ASP A 50 4.247 5.948 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.827 6.657 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.767 5.711 5.305 1.00 0.00 H new ATOM 796 N CYS A 51 4.266 4.759 4.076 1.00 0.00 N ATOM 797 CA CYS A 51 4.816 3.640 3.262 1.00 0.00 C ATOM 798 C CYS A 51 6.344 3.718 3.265 1.00 0.00 C ATOM 799 O CYS A 51 7.030 2.726 3.413 1.00 0.00 O ATOM 800 CB CYS A 51 4.272 3.868 1.851 1.00 0.00 C ATOM 801 SG CYS A 51 5.012 2.667 0.717 1.00 0.00 S ATOM 0 H CYS A 51 3.860 5.525 3.539 1.00 0.00 H new ATOM 0 HA CYS A 51 4.534 2.660 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.187 3.767 1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.498 4.882 1.522 1.00 0.00 H new ATOM 806 N MET A 52 6.875 4.899 3.098 1.00 0.00 N ATOM 807 CA MET A 52 8.357 5.062 3.085 1.00 0.00 C ATOM 808 C MET A 52 8.937 4.816 4.482 1.00 0.00 C ATOM 809 O MET A 52 10.003 4.251 4.630 1.00 0.00 O ATOM 810 CB MET A 52 8.588 6.511 2.655 1.00 0.00 C ATOM 811 CG MET A 52 9.978 6.647 2.034 1.00 0.00 C ATOM 812 SD MET A 52 9.818 7.190 0.315 1.00 0.00 S ATOM 813 CE MET A 52 8.748 5.844 -0.249 1.00 0.00 C ATOM 0 H MET A 52 6.344 5.761 2.970 1.00 0.00 H new ATOM 0 HA MET A 52 8.843 4.352 2.416 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.826 6.813 1.936 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.496 7.175 3.515 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.572 7.364 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.503 5.693 2.078 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.922 5.661 -1.309 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.972 4.940 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.705 6.119 -0.094 1.00 0.00 H new ATOM 823 N ARG A 53 8.249 5.235 5.509 1.00 0.00 N ATOM 824 CA ARG A 53 8.770 5.022 6.892 1.00 0.00 C ATOM 825 C ARG A 53 8.695 3.538 7.263 1.00 0.00 C ATOM 826 O ARG A 53 9.381 3.076 8.152 1.00 0.00 O ATOM 827 CB ARG A 53 7.852 5.845 7.797 1.00 0.00 C ATOM 828 CG ARG A 53 8.460 7.231 8.021 1.00 0.00 C ATOM 829 CD ARG A 53 7.358 8.213 8.426 1.00 0.00 C ATOM 830 NE ARG A 53 6.800 7.661 9.692 1.00 0.00 N ATOM 831 CZ ARG A 53 7.571 7.508 10.734 1.00 0.00 C ATOM 832 NH1 ARG A 53 8.018 8.554 11.373 1.00 0.00 N ATOM 833 NH2 ARG A 53 7.896 6.310 11.135 1.00 0.00 N ATOM 0 H ARG A 53 7.351 5.715 5.452 1.00 0.00 H new ATOM 0 HA ARG A 53 9.813 5.323 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.866 5.939 7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.716 5.338 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.223 7.184 8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.952 7.575 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.758 9.216 8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.591 8.286 7.655 1.00 0.00 H new ATOM 0 HE ARG A 53 5.815 7.402 9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.765 9.491 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.621 8.435 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.548 5.493 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.499 6.191 11.949 1.00 0.00 H new ATOM 847 N THR A 54 7.864 2.791 6.591 1.00 0.00 N ATOM 848 CA THR A 54 7.742 1.338 6.908 1.00 0.00 C ATOM 849 C THR A 54 8.500 0.503 5.871 1.00 0.00 C ATOM 850 O THR A 54 9.178 -0.449 6.202 1.00 0.00 O ATOM 851 CB THR A 54 6.242 1.046 6.838 1.00 0.00 C ATOM 852 OG1 THR A 54 5.608 1.550 8.006 1.00 0.00 O ATOM 853 CG2 THR A 54 6.018 -0.464 6.744 1.00 0.00 C ATOM 0 H THR A 54 7.264 3.122 5.836 1.00 0.00 H new ATOM 0 HA THR A 54 8.163 1.090 7.882 1.00 0.00 H new ATOM 0 HB THR A 54 5.818 1.529 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.142 2.385 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.949 -0.671 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.504 -0.849 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.441 -0.950 7.623 1.00 0.00 H new ATOM 861 N CYS A 55 8.383 0.848 4.619 1.00 0.00 N ATOM 862 CA CYS A 55 9.091 0.070 3.562 1.00 0.00 C ATOM 863 C CYS A 55 10.507 0.620 3.357 1.00 0.00 C ATOM 864 O CYS A 55 11.451 -0.124 3.182 1.00 0.00 O ATOM 865 CB CYS A 55 8.252 0.265 2.299 1.00 0.00 C ATOM 866 SG CYS A 55 6.539 -0.218 2.633 1.00 0.00 S ATOM 0 H CYS A 55 7.828 1.634 4.281 1.00 0.00 H new ATOM 0 HA CYS A 55 9.195 -0.983 3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.292 1.307 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.658 -0.334 1.484 1.00 0.00 H new ATOM 871 N GLY A 56 10.660 1.916 3.374 1.00 0.00 N ATOM 872 CA GLY A 56 12.015 2.508 3.178 1.00 0.00 C ATOM 873 C GLY A 56 13.032 1.747 4.028 1.00 0.00 C ATOM 874 O GLY A 56 12.677 0.995 4.915 1.00 0.00 O ATOM 0 H GLY A 56 9.907 2.590 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.296 2.460 2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.007 3.561 3.458 1.00 0.00 H new ATOM 878 N GLY A 57 14.297 1.935 3.767 1.00 0.00 N ATOM 879 CA GLY A 57 15.335 1.219 4.563 1.00 0.00 C ATOM 880 C GLY A 57 16.193 0.360 3.634 1.00 0.00 C ATOM 881 O GLY A 57 16.467 -0.790 3.914 1.00 0.00 O ATOM 0 H GLY A 57 14.656 2.552 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.961 1.937 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.860 0.593 5.318 1.00 0.00 H new ATOM 885 N ALA A 58 16.622 0.907 2.530 1.00 0.00 N ATOM 886 CA ALA A 58 17.464 0.119 1.586 1.00 0.00 C ATOM 887 C ALA A 58 18.946 0.431 1.813 1.00 0.00 C ATOM 888 O ALA A 58 19.470 1.269 1.099 1.00 0.00 O ATOM 889 CB ALA A 58 17.029 0.570 0.192 1.00 0.00 C ATOM 890 OXT ALA A 58 19.529 -0.174 2.698 1.00 0.00 O ATOM 0 H ALA A 58 16.426 1.865 2.241 1.00 0.00 H new ATOM 0 HA ALA A 58 17.340 -0.955 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.606 0.033 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.968 0.359 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 58 17.202 1.641 0.086 1.00 0.00 H new TER 896 ALA A 58