USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 134:sc=0.000805 (180deg=-0.119) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.93 USER MOD Single : A 24 ASN : amide:sc= -3.29! C(o=-3.3!,f=-14!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.301) USER MOD Single : A 31 GLN : amide:sc= -0.0597 K(o=-0.06,f=-0.67) USER MOD Single : A 32 THR OG1 : rot 22:sc= 0.255 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.559) USER MOD Single : A 43 ASN : amide:sc= 0.0324 K(o=0.032,f=-1.4) USER MOD Single : A 44 ASN : amide:sc= -5.9! C(o=-5.9!,f=-11!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.837 USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.613 -12.882 -0.430 1.00 0.00 N ATOM 2 CA ARG A 1 -7.260 -11.455 -0.210 1.00 0.00 C ATOM 3 C ARG A 1 -8.141 -10.830 0.872 1.00 0.00 C ATOM 4 O ARG A 1 -9.355 -11.037 0.883 1.00 0.00 O ATOM 5 CB ARG A 1 -7.426 -10.701 -1.534 1.00 0.00 C ATOM 6 CG ARG A 1 -8.877 -10.477 -1.937 1.00 0.00 C ATOM 7 CD ARG A 1 -9.019 -10.314 -3.442 1.00 0.00 C ATOM 8 NE ARG A 1 -9.133 -11.602 -4.123 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.633 -11.751 -5.348 1.00 0.00 C ATOM 10 NH1 ARG A 1 -10.064 -10.696 -6.030 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.700 -12.957 -5.894 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.680 -13.070 -1.451 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.879 -13.489 -0.014 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.528 -13.087 0.021 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.227 -11.389 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.927 -9.735 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.921 -11.257 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.483 -11.319 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.262 -9.589 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.899 -9.709 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.156 -9.773 -3.831 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.811 -12.435 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.013 -9.765 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.446 -10.816 -6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.369 -13.771 -5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.083 -13.071 -6.832 1.00 0.00 H new ATOM 27 N PRO A 2 -7.546 -10.056 1.800 1.00 0.00 N ATOM 28 CA PRO A 2 -8.304 -9.411 2.874 1.00 0.00 C ATOM 29 C PRO A 2 -9.353 -8.443 2.324 1.00 0.00 C ATOM 30 O PRO A 2 -9.093 -7.694 1.386 1.00 0.00 O ATOM 31 CB PRO A 2 -7.245 -8.666 3.694 1.00 0.00 C ATOM 32 CG PRO A 2 -5.928 -9.235 3.273 1.00 0.00 C ATOM 33 CD PRO A 2 -6.108 -9.753 1.873 1.00 0.00 C ATOM 0 HA PRO A 2 -8.862 -10.134 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.286 -7.594 3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.408 -8.806 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.149 -8.473 3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.620 -10.036 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.816 -9.011 1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.501 -10.640 1.692 1.00 0.00 H new ATOM 41 N ASP A 3 -10.549 -8.490 2.899 1.00 0.00 N ATOM 42 CA ASP A 3 -11.660 -7.645 2.459 1.00 0.00 C ATOM 43 C ASP A 3 -11.272 -6.171 2.321 1.00 0.00 C ATOM 44 O ASP A 3 -11.458 -5.576 1.261 1.00 0.00 O ATOM 45 CB ASP A 3 -12.833 -7.776 3.431 1.00 0.00 C ATOM 46 CG ASP A 3 -13.394 -9.184 3.471 1.00 0.00 C ATOM 47 OD1 ASP A 3 -12.599 -10.136 3.615 1.00 0.00 O ATOM 48 OD2 ASP A 3 -14.630 -9.335 3.358 1.00 0.00 O ATOM 0 H ASP A 3 -10.778 -9.108 3.677 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.947 -7.996 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.507 -7.489 4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.621 -7.081 3.141 1.00 0.00 H new ATOM 53 N PHE A 4 -10.767 -5.575 3.397 1.00 0.00 N ATOM 54 CA PHE A 4 -10.396 -4.157 3.380 1.00 0.00 C ATOM 55 C PHE A 4 -9.474 -3.813 2.213 1.00 0.00 C ATOM 56 O PHE A 4 -9.414 -2.665 1.779 1.00 0.00 O ATOM 57 CB PHE A 4 -9.729 -3.749 4.693 1.00 0.00 C ATOM 58 CG PHE A 4 -8.755 -4.753 5.232 1.00 0.00 C ATOM 59 CD1 PHE A 4 -9.171 -5.749 6.099 1.00 0.00 C ATOM 60 CD2 PHE A 4 -7.417 -4.690 4.881 1.00 0.00 C ATOM 61 CE1 PHE A 4 -8.271 -6.665 6.604 1.00 0.00 C ATOM 62 CE2 PHE A 4 -6.513 -5.605 5.382 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.941 -6.594 6.243 1.00 0.00 C ATOM 0 H PHE A 4 -10.605 -6.045 4.288 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.323 -3.598 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.210 -2.802 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.503 -3.574 5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.211 -5.810 6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.077 -3.917 4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.607 -7.437 7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.472 -5.547 5.100 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.236 -7.312 6.634 1.00 0.00 H new ATOM 73 N CYS A 5 -8.763 -4.805 1.698 1.00 0.00 N ATOM 74 CA CYS A 5 -7.859 -4.581 0.575 1.00 0.00 C ATOM 75 C CYS A 5 -8.630 -4.106 -0.648 1.00 0.00 C ATOM 76 O CYS A 5 -8.053 -3.561 -1.588 1.00 0.00 O ATOM 77 CB CYS A 5 -7.085 -5.849 0.245 1.00 0.00 C ATOM 78 SG CYS A 5 -6.009 -6.422 1.594 1.00 0.00 S ATOM 0 H CYS A 5 -8.792 -5.767 2.035 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.149 -3.806 0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.792 -6.640 -0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.477 -5.672 -0.642 1.00 0.00 H new ATOM 83 N LEU A 6 -9.939 -4.318 -0.626 1.00 0.00 N ATOM 84 CA LEU A 6 -10.800 -3.913 -1.732 1.00 0.00 C ATOM 85 C LEU A 6 -11.181 -2.436 -1.625 1.00 0.00 C ATOM 86 O LEU A 6 -11.676 -1.846 -2.586 1.00 0.00 O ATOM 87 CB LEU A 6 -12.068 -4.771 -1.759 1.00 0.00 C ATOM 88 CG LEU A 6 -11.840 -6.282 -1.658 1.00 0.00 C ATOM 89 CD1 LEU A 6 -13.170 -7.017 -1.606 1.00 0.00 C ATOM 90 CD2 LEU A 6 -11.005 -6.774 -2.832 1.00 0.00 C ATOM 0 H LEU A 6 -10.430 -4.769 0.146 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.244 -4.059 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.713 -4.462 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -12.608 -4.563 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.295 -6.489 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.990 -8.090 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.735 -6.685 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.739 -6.804 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.852 -7.850 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.525 -6.556 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.039 -6.269 -2.828 1.00 0.00 H new ATOM 102 N GLU A 7 -10.953 -1.843 -0.455 1.00 0.00 N ATOM 103 CA GLU A 7 -11.276 -0.436 -0.237 1.00 0.00 C ATOM 104 C GLU A 7 -10.297 0.476 -0.974 1.00 0.00 C ATOM 105 O GLU A 7 -9.095 0.448 -0.707 1.00 0.00 O ATOM 106 CB GLU A 7 -11.266 -0.105 1.259 1.00 0.00 C ATOM 107 CG GLU A 7 -12.645 -0.122 1.895 1.00 0.00 C ATOM 108 CD GLU A 7 -13.134 -1.527 2.184 1.00 0.00 C ATOM 109 OE1 GLU A 7 -12.855 -2.432 1.370 1.00 0.00 O ATOM 110 OE2 GLU A 7 -13.794 -1.725 3.226 1.00 0.00 O ATOM 0 H GLU A 7 -10.547 -2.314 0.354 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.276 -0.263 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.628 -0.821 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.821 0.880 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.620 0.449 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.353 0.377 1.233 1.00 0.00 H new ATOM 117 N PRO A 8 -10.796 1.305 -1.911 1.00 0.00 N ATOM 118 CA PRO A 8 -9.959 2.225 -2.675 1.00 0.00 C ATOM 119 C PRO A 8 -9.742 3.550 -1.947 1.00 0.00 C ATOM 120 O PRO A 8 -10.539 3.935 -1.092 1.00 0.00 O ATOM 121 CB PRO A 8 -10.779 2.437 -3.943 1.00 0.00 C ATOM 122 CG PRO A 8 -12.200 2.340 -3.494 1.00 0.00 C ATOM 123 CD PRO A 8 -12.218 1.417 -2.297 1.00 0.00 C ATOM 0 HA PRO A 8 -8.956 1.836 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.571 3.408 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.549 1.682 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.590 3.323 -3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.832 1.950 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.821 1.826 -1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.641 0.445 -2.549 1.00 0.00 H new ATOM 131 N PRO A 9 -8.653 4.270 -2.277 1.00 0.00 N ATOM 132 CA PRO A 9 -8.339 5.548 -1.658 1.00 0.00 C ATOM 133 C PRO A 9 -8.987 6.715 -2.395 1.00 0.00 C ATOM 134 O PRO A 9 -9.712 6.517 -3.370 1.00 0.00 O ATOM 135 CB PRO A 9 -6.819 5.610 -1.773 1.00 0.00 C ATOM 136 CG PRO A 9 -6.489 4.841 -3.014 1.00 0.00 C ATOM 137 CD PRO A 9 -7.639 3.897 -3.283 1.00 0.00 C ATOM 0 HA PRO A 9 -8.708 5.624 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.471 6.641 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.339 5.171 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.343 5.517 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.560 4.286 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.022 4.013 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.334 2.856 -3.175 1.00 0.00 H new ATOM 145 N TYR A 10 -8.721 7.930 -1.929 1.00 0.00 N ATOM 146 CA TYR A 10 -9.280 9.125 -2.552 1.00 0.00 C ATOM 147 C TYR A 10 -8.380 10.336 -2.324 1.00 0.00 C ATOM 148 O TYR A 10 -7.652 10.405 -1.335 1.00 0.00 O ATOM 149 CB TYR A 10 -10.685 9.391 -2.006 1.00 0.00 C ATOM 150 CG TYR A 10 -10.708 9.977 -0.609 1.00 0.00 C ATOM 151 CD1 TYR A 10 -10.701 9.153 0.511 1.00 0.00 C ATOM 152 CD2 TYR A 10 -10.739 11.351 -0.411 1.00 0.00 C ATOM 153 CE1 TYR A 10 -10.726 9.684 1.788 1.00 0.00 C ATOM 154 CE2 TYR A 10 -10.764 11.889 0.862 1.00 0.00 C ATOM 155 CZ TYR A 10 -10.758 11.052 1.958 1.00 0.00 C ATOM 156 OH TYR A 10 -10.782 11.583 3.227 1.00 0.00 O ATOM 0 H TYR A 10 -8.123 8.114 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.343 8.954 -3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.202 10.072 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -11.245 8.456 -2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.676 8.081 0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.744 12.011 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.720 9.030 2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.788 12.960 0.998 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.802 12.561 3.172 1.00 0.00 H new ATOM 166 N ALA A 11 -8.433 11.287 -3.254 1.00 0.00 N ATOM 167 CA ALA A 11 -7.622 12.496 -3.161 1.00 0.00 C ATOM 168 C ALA A 11 -8.483 13.749 -3.250 1.00 0.00 C ATOM 169 O ALA A 11 -9.228 13.939 -4.212 1.00 0.00 O ATOM 170 CB ALA A 11 -6.563 12.504 -4.252 1.00 0.00 C ATOM 0 H ALA A 11 -9.030 11.243 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.130 12.497 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.965 13.411 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.918 11.633 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.046 12.474 -5.228 1.00 0.00 H new ATOM 176 N GLY A 12 -8.373 14.605 -2.240 1.00 0.00 N ATOM 177 CA GLY A 12 -9.142 15.833 -2.216 1.00 0.00 C ATOM 178 C GLY A 12 -8.836 16.675 -0.997 1.00 0.00 C ATOM 179 O GLY A 12 -9.486 16.544 0.040 1.00 0.00 O ATOM 0 H GLY A 12 -7.762 14.468 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.930 16.410 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.205 15.594 -2.233 1.00 0.00 H new ATOM 183 N ALA A 13 -7.838 17.540 -1.125 1.00 0.00 N ATOM 184 CA ALA A 13 -7.434 18.412 -0.029 1.00 0.00 C ATOM 185 C ALA A 13 -7.077 17.604 1.216 1.00 0.00 C ATOM 186 O ALA A 13 -7.947 17.257 2.014 1.00 0.00 O ATOM 187 CB ALA A 13 -8.540 19.410 0.282 1.00 0.00 C ATOM 0 H ALA A 13 -7.292 17.657 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.543 18.958 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.227 20.056 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.742 20.016 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.445 18.873 0.568 1.00 0.00 H new ATOM 193 N CYS A 14 -5.788 17.315 1.374 1.00 0.00 N ATOM 194 CA CYS A 14 -5.302 16.552 2.520 1.00 0.00 C ATOM 195 C CYS A 14 -3.797 16.735 2.687 1.00 0.00 C ATOM 196 O CYS A 14 -3.136 17.327 1.834 1.00 0.00 O ATOM 197 CB CYS A 14 -5.626 15.067 2.358 1.00 0.00 C ATOM 198 SG CYS A 14 -7.297 14.594 2.913 1.00 0.00 S ATOM 0 H CYS A 14 -5.059 17.599 0.720 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.806 16.927 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.515 14.796 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.893 14.485 2.916 1.00 0.00 H new ATOM 203 N ARG A 15 -3.263 16.229 3.794 1.00 0.00 N ATOM 204 CA ARG A 15 -1.837 16.343 4.074 1.00 0.00 C ATOM 205 C ARG A 15 -1.375 15.241 5.022 1.00 0.00 C ATOM 206 O ARG A 15 -2.192 14.507 5.579 1.00 0.00 O ATOM 207 CB ARG A 15 -1.521 17.713 4.678 1.00 0.00 C ATOM 208 CG ARG A 15 -2.486 18.133 5.776 1.00 0.00 C ATOM 209 CD ARG A 15 -1.754 18.692 6.986 1.00 0.00 C ATOM 210 NE ARG A 15 -1.913 17.842 8.164 1.00 0.00 N ATOM 211 CZ ARG A 15 -3.078 17.634 8.775 1.00 0.00 C ATOM 212 NH1 ARG A 15 -4.185 18.211 8.325 1.00 0.00 N ATOM 213 NH2 ARG A 15 -3.135 16.845 9.840 1.00 0.00 N ATOM 0 H ARG A 15 -3.796 15.737 4.511 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.301 16.235 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.509 17.698 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.537 18.462 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.174 18.884 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.088 17.276 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.694 18.794 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.129 19.691 7.207 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.084 17.382 8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.147 18.818 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.074 18.047 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.287 16.399 10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.027 16.685 10.309 1.00 0.00 H new ATOM 227 N ALA A 16 -0.060 15.136 5.202 1.00 0.00 N ATOM 228 CA ALA A 16 0.527 14.131 6.086 1.00 0.00 C ATOM 229 C ALA A 16 0.601 12.767 5.408 1.00 0.00 C ATOM 230 O ALA A 16 -0.327 11.963 5.503 1.00 0.00 O ATOM 231 CB ALA A 16 -0.252 14.034 7.392 1.00 0.00 C ATOM 0 H ALA A 16 0.623 15.739 4.744 1.00 0.00 H new ATOM 0 HA ALA A 16 1.545 14.449 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.204 13.279 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.235 14.999 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.284 13.754 7.180 1.00 0.00 H new ATOM 237 N ALA A 17 1.719 12.510 4.737 1.00 0.00 N ATOM 238 CA ALA A 17 1.935 11.252 4.059 1.00 0.00 C ATOM 239 C ALA A 17 3.417 11.028 3.785 1.00 0.00 C ATOM 240 O ALA A 17 3.851 10.996 2.633 1.00 0.00 O ATOM 241 CB ALA A 17 1.131 11.184 2.769 1.00 0.00 C ATOM 0 H ALA A 17 2.493 13.169 4.652 1.00 0.00 H new ATOM 0 HA ALA A 17 1.588 10.454 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.311 10.228 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.069 11.281 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.436 11.995 2.107 1.00 0.00 H new ATOM 247 N ALA A 18 4.191 10.889 4.855 1.00 0.00 N ATOM 248 CA ALA A 18 5.628 10.676 4.737 1.00 0.00 C ATOM 249 C ALA A 18 5.937 9.282 4.200 1.00 0.00 C ATOM 250 O ALA A 18 6.224 8.360 4.964 1.00 0.00 O ATOM 251 CB ALA A 18 6.305 10.887 6.083 1.00 0.00 C ATOM 0 H ALA A 18 3.847 10.920 5.815 1.00 0.00 H new ATOM 0 HA ALA A 18 6.020 11.404 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.378 10.725 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.123 11.906 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.899 10.182 6.809 1.00 0.00 H new ATOM 257 N ALA A 19 5.882 9.136 2.880 1.00 0.00 N ATOM 258 CA ALA A 19 6.160 7.856 2.237 1.00 0.00 C ATOM 259 C ALA A 19 5.250 6.752 2.770 1.00 0.00 C ATOM 260 O ALA A 19 5.580 6.087 3.753 1.00 0.00 O ATOM 261 CB ALA A 19 7.622 7.479 2.438 1.00 0.00 C ATOM 0 H ALA A 19 5.647 9.889 2.234 1.00 0.00 H new ATOM 0 HA ALA A 19 5.960 7.964 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.821 6.522 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.259 8.247 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.834 7.398 3.504 1.00 0.00 H new ATOM 267 N ARG A 20 4.116 6.548 2.101 1.00 0.00 N ATOM 268 CA ARG A 20 3.168 5.506 2.493 1.00 0.00 C ATOM 269 C ARG A 20 2.644 4.772 1.262 1.00 0.00 C ATOM 270 O ARG A 20 2.834 5.221 0.131 1.00 0.00 O ATOM 271 CB ARG A 20 1.992 6.087 3.284 1.00 0.00 C ATOM 272 CG ARG A 20 2.408 6.960 4.453 1.00 0.00 C ATOM 273 CD ARG A 20 1.539 6.709 5.672 1.00 0.00 C ATOM 274 NE ARG A 20 2.342 6.340 6.831 1.00 0.00 N ATOM 275 CZ ARG A 20 2.398 7.042 7.963 1.00 0.00 C ATOM 276 NH1 ARG A 20 1.678 8.148 8.112 1.00 0.00 N ATOM 277 NH2 ARG A 20 3.177 6.633 8.955 1.00 0.00 N ATOM 0 H ARG A 20 3.831 7.090 1.285 1.00 0.00 H new ATOM 0 HA ARG A 20 3.700 4.804 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.368 6.673 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.377 5.268 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.451 6.764 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.341 8.010 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.960 7.604 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.825 5.915 5.454 1.00 0.00 H new ATOM 0 HE ARG A 20 2.899 5.487 6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.074 8.469 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.729 8.677 8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.731 5.783 8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.222 7.168 9.822 1.00 0.00 H new ATOM 291 N TYR A 21 1.999 3.633 1.481 1.00 0.00 N ATOM 292 CA TYR A 21 1.467 2.842 0.378 1.00 0.00 C ATOM 293 C TYR A 21 0.056 2.338 0.672 1.00 0.00 C ATOM 294 O TYR A 21 -0.395 2.352 1.816 1.00 0.00 O ATOM 295 CB TYR A 21 2.380 1.648 0.096 1.00 0.00 C ATOM 296 CG TYR A 21 3.668 2.008 -0.611 1.00 0.00 C ATOM 297 CD1 TYR A 21 4.644 2.767 0.020 1.00 0.00 C ATOM 298 CD2 TYR A 21 3.912 1.575 -1.906 1.00 0.00 C ATOM 299 CE1 TYR A 21 5.826 3.084 -0.621 1.00 0.00 C ATOM 300 CE2 TYR A 21 5.089 1.888 -2.554 1.00 0.00 C ATOM 301 CZ TYR A 21 6.043 2.641 -1.908 1.00 0.00 C ATOM 302 OH TYR A 21 7.219 2.953 -2.551 1.00 0.00 O ATOM 0 H TYR A 21 1.832 3.238 2.406 1.00 0.00 H new ATOM 0 HA TYR A 21 1.424 3.492 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.621 1.158 1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.836 0.923 -0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.477 3.115 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.167 0.982 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.576 3.676 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.261 1.544 -3.563 1.00 0.00 H new ATOM 0 HH TYR A 21 7.213 2.564 -3.450 1.00 0.00 H new ATOM 312 N PHE A 22 -0.620 1.871 -0.377 1.00 0.00 N ATOM 313 CA PHE A 22 -1.973 1.323 -0.264 1.00 0.00 C ATOM 314 C PHE A 22 -2.138 0.172 -1.239 1.00 0.00 C ATOM 315 O PHE A 22 -1.458 0.115 -2.257 1.00 0.00 O ATOM 316 CB PHE A 22 -3.034 2.385 -0.537 1.00 0.00 C ATOM 317 CG PHE A 22 -2.795 3.189 -1.784 1.00 0.00 C ATOM 318 CD1 PHE A 22 -1.894 4.240 -1.785 1.00 0.00 C ATOM 319 CD2 PHE A 22 -3.472 2.893 -2.955 1.00 0.00 C ATOM 320 CE1 PHE A 22 -1.673 4.979 -2.930 1.00 0.00 C ATOM 321 CE2 PHE A 22 -3.255 3.629 -4.104 1.00 0.00 C ATOM 322 CZ PHE A 22 -2.355 4.675 -4.090 1.00 0.00 C ATOM 0 H PHE A 22 -0.248 1.861 -1.327 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.109 0.969 0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.007 1.899 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.081 3.063 0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.358 4.485 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.179 2.076 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.966 5.795 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.789 3.386 -5.011 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.185 5.254 -4.985 1.00 0.00 H new ATOM 332 N TYR A 23 -3.026 -0.757 -0.920 1.00 0.00 N ATOM 333 CA TYR A 23 -3.236 -1.919 -1.785 1.00 0.00 C ATOM 334 C TYR A 23 -4.214 -1.613 -2.912 1.00 0.00 C ATOM 335 O TYR A 23 -5.231 -0.951 -2.710 1.00 0.00 O ATOM 336 CB TYR A 23 -3.731 -3.122 -0.985 1.00 0.00 C ATOM 337 CG TYR A 23 -3.877 -4.368 -1.830 1.00 0.00 C ATOM 338 CD1 TYR A 23 -2.764 -5.107 -2.209 1.00 0.00 C ATOM 339 CD2 TYR A 23 -5.124 -4.796 -2.261 1.00 0.00 C ATOM 340 CE1 TYR A 23 -2.892 -6.238 -2.991 1.00 0.00 C ATOM 341 CE2 TYR A 23 -5.261 -5.928 -3.040 1.00 0.00 C ATOM 342 CZ TYR A 23 -4.142 -6.645 -3.403 1.00 0.00 C ATOM 343 OH TYR A 23 -4.274 -7.771 -4.182 1.00 0.00 O ATOM 0 H TYR A 23 -3.608 -0.735 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.269 -2.162 -2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.036 -3.321 -0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.693 -2.881 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.782 -4.792 -1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.003 -4.234 -1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.016 -6.801 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.240 -6.250 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.221 -7.920 -4.384 1.00 0.00 H new ATOM 353 N ASN A 24 -3.900 -2.124 -4.096 1.00 0.00 N ATOM 354 CA ASN A 24 -4.740 -1.934 -5.271 1.00 0.00 C ATOM 355 C ASN A 24 -5.295 -3.276 -5.739 1.00 0.00 C ATOM 356 O ASN A 24 -4.679 -3.958 -6.554 1.00 0.00 O ATOM 357 CB ASN A 24 -3.928 -1.273 -6.390 1.00 0.00 C ATOM 358 CG ASN A 24 -4.718 -1.100 -7.669 1.00 0.00 C ATOM 359 OD1 ASN A 24 -5.604 -1.895 -7.982 1.00 0.00 O ATOM 360 ND2 ASN A 24 -4.392 -0.060 -8.420 1.00 0.00 N ATOM 0 H ASN A 24 -3.061 -2.678 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.575 -1.283 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.578 -0.298 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.043 -1.876 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.882 0.109 -9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.650 0.573 -8.120 1.00 0.00 H new ATOM 367 N ALA A 25 -6.462 -3.651 -5.222 1.00 0.00 N ATOM 368 CA ALA A 25 -7.088 -4.920 -5.587 1.00 0.00 C ATOM 369 C ALA A 25 -7.208 -5.065 -7.100 1.00 0.00 C ATOM 370 O ALA A 25 -7.192 -6.176 -7.630 1.00 0.00 O ATOM 371 CB ALA A 25 -8.458 -5.039 -4.932 1.00 0.00 C ATOM 0 H ALA A 25 -6.993 -3.096 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.450 -5.726 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.914 -5.989 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.348 -4.994 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.094 -4.219 -5.266 1.00 0.00 H new ATOM 377 N LYS A 26 -7.317 -3.937 -7.792 1.00 0.00 N ATOM 378 CA LYS A 26 -7.432 -3.939 -9.247 1.00 0.00 C ATOM 379 C LYS A 26 -6.072 -4.146 -9.920 1.00 0.00 C ATOM 380 O LYS A 26 -5.987 -4.199 -11.147 1.00 0.00 O ATOM 381 CB LYS A 26 -8.058 -2.625 -9.725 1.00 0.00 C ATOM 382 CG LYS A 26 -9.381 -2.814 -10.453 1.00 0.00 C ATOM 383 CD LYS A 26 -9.223 -2.633 -11.955 1.00 0.00 C ATOM 384 CE LYS A 26 -9.263 -1.164 -12.347 1.00 0.00 C ATOM 385 NZ LYS A 26 -7.903 -0.628 -12.630 1.00 0.00 N ATOM 0 H LYS A 26 -7.328 -3.009 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.075 -4.773 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.215 -1.972 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.357 -2.117 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.773 -3.810 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.111 -2.099 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.279 -3.071 -12.278 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.017 -3.171 -12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.893 -1.040 -13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.721 -0.586 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.983 0.245 -13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.418 -0.421 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.356 -1.333 -13.165 1.00 0.00 H new ATOM 399 N ALA A 27 -5.010 -4.252 -9.120 1.00 0.00 N ATOM 400 CA ALA A 27 -3.666 -4.442 -9.668 1.00 0.00 C ATOM 401 C ALA A 27 -2.838 -5.442 -8.854 1.00 0.00 C ATOM 402 O ALA A 27 -1.710 -5.764 -9.226 1.00 0.00 O ATOM 403 CB ALA A 27 -2.942 -3.108 -9.745 1.00 0.00 C ATOM 0 H ALA A 27 -5.052 -4.210 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.781 -4.858 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.943 -3.259 -10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.499 -2.428 -10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.864 -2.678 -8.746 1.00 0.00 H new ATOM 409 N GLY A 28 -3.399 -5.945 -7.755 1.00 0.00 N ATOM 410 CA GLY A 28 -2.702 -6.909 -6.934 1.00 0.00 C ATOM 411 C GLY A 28 -1.474 -6.363 -6.222 1.00 0.00 C ATOM 412 O GLY A 28 -0.839 -7.077 -5.447 1.00 0.00 O ATOM 0 H GLY A 28 -4.330 -5.697 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.394 -7.300 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.400 -7.749 -7.560 1.00 0.00 H new ATOM 416 N LEU A 29 -1.130 -5.109 -6.481 1.00 0.00 N ATOM 417 CA LEU A 29 0.038 -4.497 -5.854 1.00 0.00 C ATOM 418 C LEU A 29 -0.329 -3.196 -5.143 1.00 0.00 C ATOM 419 O LEU A 29 -1.457 -2.713 -5.252 1.00 0.00 O ATOM 420 CB LEU A 29 1.124 -4.236 -6.901 1.00 0.00 C ATOM 421 CG LEU A 29 2.346 -5.155 -6.808 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.333 -6.178 -7.933 1.00 0.00 C ATOM 423 CD2 LEU A 29 3.632 -4.342 -6.839 1.00 0.00 C ATOM 0 H LEU A 29 -1.639 -4.496 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 29 0.420 -5.193 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.684 -4.340 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.457 -3.202 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 29 2.301 -5.689 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.209 -6.821 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.430 -6.784 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.351 -5.663 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.488 -5.013 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.684 -3.779 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.646 -3.651 -5.996 1.00 0.00 H new ATOM 435 N CYS A 30 0.632 -2.632 -4.412 1.00 0.00 N ATOM 436 CA CYS A 30 0.404 -1.389 -3.685 1.00 0.00 C ATOM 437 C CYS A 30 0.977 -0.192 -4.433 1.00 0.00 C ATOM 438 O CYS A 30 1.705 -0.345 -5.416 1.00 0.00 O ATOM 439 CB CYS A 30 1.014 -1.449 -2.281 1.00 0.00 C ATOM 440 SG CYS A 30 0.998 -3.106 -1.512 1.00 0.00 S ATOM 0 H CYS A 30 1.571 -3.016 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.676 -1.266 -3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.044 -1.097 -2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.473 -0.758 -1.635 1.00 0.00 H new ATOM 445 N GLN A 31 0.641 0.999 -3.953 1.00 0.00 N ATOM 446 CA GLN A 31 1.111 2.239 -4.563 1.00 0.00 C ATOM 447 C GLN A 31 1.295 3.342 -3.518 1.00 0.00 C ATOM 448 O GLN A 31 0.604 3.364 -2.500 1.00 0.00 O ATOM 449 CB GLN A 31 0.131 2.701 -5.645 1.00 0.00 C ATOM 450 CG GLN A 31 0.803 3.365 -6.836 1.00 0.00 C ATOM 451 CD GLN A 31 0.090 4.626 -7.284 1.00 0.00 C ATOM 452 OE1 GLN A 31 -1.125 4.755 -7.132 1.00 0.00 O ATOM 453 NE2 GLN A 31 0.845 5.566 -7.841 1.00 0.00 N ATOM 0 H GLN A 31 0.042 1.134 -3.139 1.00 0.00 H new ATOM 0 HA GLN A 31 2.082 2.040 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.442 1.842 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.580 3.400 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.834 3.608 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.841 2.660 -7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.848 5.417 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.421 6.436 -8.162 1.00 0.00 H new ATOM 462 N THR A 32 2.218 4.262 -3.788 1.00 0.00 N ATOM 463 CA THR A 32 2.483 5.381 -2.882 1.00 0.00 C ATOM 464 C THR A 32 1.373 6.427 -2.948 1.00 0.00 C ATOM 465 O THR A 32 0.784 6.660 -4.003 1.00 0.00 O ATOM 466 CB THR A 32 3.830 6.032 -3.219 1.00 0.00 C ATOM 467 OG1 THR A 32 4.364 6.694 -2.086 1.00 0.00 O ATOM 468 CG2 THR A 32 3.752 7.044 -4.345 1.00 0.00 C ATOM 0 H THR A 32 2.797 4.256 -4.628 1.00 0.00 H new ATOM 0 HA THR A 32 2.517 4.984 -1.868 1.00 0.00 H new ATOM 0 HB THR A 32 4.470 5.210 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.973 6.315 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.742 7.463 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.393 6.554 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.065 7.844 -4.068 1.00 0.00 H new ATOM 476 N PHE A 33 1.115 7.072 -1.814 1.00 0.00 N ATOM 477 CA PHE A 33 0.090 8.111 -1.737 1.00 0.00 C ATOM 478 C PHE A 33 0.578 9.396 -2.402 1.00 0.00 C ATOM 479 O PHE A 33 1.681 9.865 -2.122 1.00 0.00 O ATOM 480 CB PHE A 33 -0.266 8.404 -0.275 1.00 0.00 C ATOM 481 CG PHE A 33 -1.341 7.512 0.272 1.00 0.00 C ATOM 482 CD1 PHE A 33 -2.676 7.864 0.163 1.00 0.00 C ATOM 483 CD2 PHE A 33 -1.016 6.317 0.890 1.00 0.00 C ATOM 484 CE1 PHE A 33 -3.667 7.040 0.661 1.00 0.00 C ATOM 485 CE2 PHE A 33 -2.001 5.489 1.390 1.00 0.00 C ATOM 486 CZ PHE A 33 -3.328 5.851 1.275 1.00 0.00 C ATOM 0 H PHE A 33 1.601 6.894 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.796 7.750 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.630 8.297 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.588 9.442 -0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.946 8.793 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.021 6.029 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.705 7.326 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.734 4.559 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.100 5.205 1.665 1.00 0.00 H new ATOM 496 N ALA A 34 -0.247 9.969 -3.270 1.00 0.00 N ATOM 497 CA ALA A 34 0.114 11.206 -3.950 1.00 0.00 C ATOM 498 C ALA A 34 0.057 12.378 -2.977 1.00 0.00 C ATOM 499 O ALA A 34 -0.626 12.307 -1.956 1.00 0.00 O ATOM 500 CB ALA A 34 -0.811 11.452 -5.134 1.00 0.00 C ATOM 0 H ALA A 34 -1.165 9.600 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 34 1.134 11.113 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.527 12.380 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.729 10.624 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.840 11.529 -4.782 1.00 0.00 H new ATOM 506 N TYR A 35 0.775 13.455 -3.295 1.00 0.00 N ATOM 507 CA TYR A 35 0.800 14.639 -2.436 1.00 0.00 C ATOM 508 C TYR A 35 -0.566 15.314 -2.404 1.00 0.00 C ATOM 509 O TYR A 35 -0.729 16.446 -2.860 1.00 0.00 O ATOM 510 CB TYR A 35 1.865 15.626 -2.919 1.00 0.00 C ATOM 511 CG TYR A 35 2.532 16.390 -1.798 1.00 0.00 C ATOM 512 CD1 TYR A 35 1.909 17.484 -1.211 1.00 0.00 C ATOM 513 CD2 TYR A 35 3.779 16.010 -1.320 1.00 0.00 C ATOM 514 CE1 TYR A 35 2.514 18.180 -0.181 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.387 16.700 -0.289 1.00 0.00 C ATOM 516 CZ TYR A 35 3.751 17.783 0.277 1.00 0.00 C ATOM 517 OH TYR A 35 4.355 18.473 1.303 1.00 0.00 O ATOM 0 H TYR A 35 1.345 13.532 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 35 1.049 14.319 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.625 15.082 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.406 16.335 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.937 17.796 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.281 15.162 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.019 19.031 0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.357 16.392 0.072 1.00 0.00 H new ATOM 0 HH TYR A 35 5.222 18.064 1.507 1.00 0.00 H new ATOM 527 N GLY A 36 -1.545 14.597 -1.872 1.00 0.00 N ATOM 528 CA GLY A 36 -2.882 15.095 -1.793 1.00 0.00 C ATOM 529 C GLY A 36 -3.877 14.018 -1.404 1.00 0.00 C ATOM 530 O GLY A 36 -4.920 14.307 -0.817 1.00 0.00 O ATOM 0 H GLY A 36 -1.421 13.660 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.923 15.904 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.167 15.519 -2.756 1.00 0.00 H new ATOM 534 N ALA A 37 -3.557 12.770 -1.746 1.00 0.00 N ATOM 535 CA ALA A 37 -4.430 11.642 -1.446 1.00 0.00 C ATOM 536 C ALA A 37 -4.600 11.446 0.057 1.00 0.00 C ATOM 537 O ALA A 37 -3.622 11.400 0.804 1.00 0.00 O ATOM 538 CB ALA A 37 -3.891 10.371 -2.086 1.00 0.00 C ATOM 0 H ALA A 37 -2.697 12.517 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.412 11.863 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.553 9.537 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.838 10.502 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.894 10.162 -1.697 1.00 0.00 H new ATOM 544 N CYS A 38 -5.852 11.330 0.488 1.00 0.00 N ATOM 545 CA CYS A 38 -6.168 11.136 1.899 1.00 0.00 C ATOM 546 C CYS A 38 -6.060 9.662 2.286 1.00 0.00 C ATOM 547 O CYS A 38 -6.295 8.776 1.464 1.00 0.00 O ATOM 548 CB CYS A 38 -7.577 11.653 2.197 1.00 0.00 C ATOM 549 SG CYS A 38 -7.932 13.295 1.487 1.00 0.00 S ATOM 0 H CYS A 38 -6.668 11.367 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.446 11.699 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.304 10.938 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.715 11.698 3.277 1.00 0.00 H new ATOM 554 N ALA A 39 -5.704 9.410 3.542 1.00 0.00 N ATOM 555 CA ALA A 39 -5.564 8.044 4.040 1.00 0.00 C ATOM 556 C ALA A 39 -6.912 7.342 4.152 1.00 0.00 C ATOM 557 O ALA A 39 -7.964 7.982 4.133 1.00 0.00 O ATOM 558 CB ALA A 39 -4.854 8.046 5.385 1.00 0.00 C ATOM 0 H ALA A 39 -5.507 10.133 4.234 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.964 7.488 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.756 7.022 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.864 8.488 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.433 8.629 6.101 1.00 0.00 H new ATOM 564 N ALA A 40 -6.868 6.017 4.274 1.00 0.00 N ATOM 565 CA ALA A 40 -8.080 5.215 4.396 1.00 0.00 C ATOM 566 C ALA A 40 -8.181 4.578 5.780 1.00 0.00 C ATOM 567 O ALA A 40 -7.224 4.594 6.554 1.00 0.00 O ATOM 568 CB ALA A 40 -8.116 4.146 3.314 1.00 0.00 C ATOM 0 H ALA A 40 -6.003 5.476 4.291 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.938 5.875 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.026 3.555 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.101 4.621 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.247 3.496 3.416 1.00 0.00 H new ATOM 574 N LYS A 41 -9.352 4.029 6.090 1.00 0.00 N ATOM 575 CA LYS A 41 -9.585 3.398 7.386 1.00 0.00 C ATOM 576 C LYS A 41 -8.689 2.177 7.586 1.00 0.00 C ATOM 577 O LYS A 41 -7.721 2.225 8.344 1.00 0.00 O ATOM 578 CB LYS A 41 -11.057 3.000 7.530 1.00 0.00 C ATOM 579 CG LYS A 41 -11.683 3.459 8.836 1.00 0.00 C ATOM 580 CD LYS A 41 -13.119 2.977 8.966 1.00 0.00 C ATOM 581 CE LYS A 41 -13.847 3.689 10.094 1.00 0.00 C ATOM 582 NZ LYS A 41 -13.926 5.159 9.865 1.00 0.00 N ATOM 0 H LYS A 41 -10.155 4.008 5.461 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.335 4.127 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.622 3.420 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.141 1.916 7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.095 3.084 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.657 4.547 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.647 3.146 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.128 1.902 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.854 3.282 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.334 3.496 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.723 5.552 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.041 5.607 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.068 5.345 8.852 1.00 0.00 H new ATOM 596 N ARG A 42 -9.029 1.076 6.919 1.00 0.00 N ATOM 597 CA ARG A 42 -8.265 -0.160 7.042 1.00 0.00 C ATOM 598 C ARG A 42 -7.094 -0.191 6.069 1.00 0.00 C ATOM 599 O ARG A 42 -6.063 -0.805 6.346 1.00 0.00 O ATOM 600 CB ARG A 42 -9.168 -1.373 6.803 1.00 0.00 C ATOM 601 CG ARG A 42 -10.317 -1.475 7.793 1.00 0.00 C ATOM 602 CD ARG A 42 -9.851 -2.038 9.125 1.00 0.00 C ATOM 603 NE ARG A 42 -10.624 -1.504 10.244 1.00 0.00 N ATOM 604 CZ ARG A 42 -11.906 -1.789 10.464 1.00 0.00 C ATOM 605 NH1 ARG A 42 -12.562 -2.599 9.642 1.00 0.00 N ATOM 606 NH2 ARG A 42 -12.531 -1.264 11.507 1.00 0.00 N ATOM 0 H ARG A 42 -9.829 1.016 6.288 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.867 -0.200 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.573 -1.322 5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.567 -2.281 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.756 -0.489 7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.100 -2.112 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.938 -3.124 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.796 -1.804 9.269 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.154 -0.876 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.084 -3.006 8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.544 -2.815 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.030 -0.642 12.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.513 -1.482 11.676 1.00 0.00 H new ATOM 620 N ASN A 43 -7.269 0.438 4.914 1.00 0.00 N ATOM 621 CA ASN A 43 -6.238 0.454 3.899 1.00 0.00 C ATOM 622 C ASN A 43 -5.115 1.386 4.316 1.00 0.00 C ATOM 623 O ASN A 43 -5.130 1.951 5.409 1.00 0.00 O ATOM 624 CB ASN A 43 -6.838 0.939 2.583 1.00 0.00 C ATOM 625 CG ASN A 43 -6.485 0.024 1.445 1.00 0.00 C ATOM 626 OD1 ASN A 43 -5.565 0.269 0.660 1.00 0.00 O ATOM 627 ND2 ASN A 43 -7.243 -1.057 1.370 1.00 0.00 N ATOM 0 H ASN A 43 -8.119 0.943 4.662 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.838 -0.552 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.922 1.002 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.478 1.945 2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.081 -1.743 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.990 -1.205 2.049 1.00 0.00 H new ATOM 634 N ASN A 44 -4.143 1.529 3.436 1.00 0.00 N ATOM 635 CA ASN A 44 -2.992 2.394 3.681 1.00 0.00 C ATOM 636 C ASN A 44 -2.029 1.776 4.691 1.00 0.00 C ATOM 637 O ASN A 44 -2.373 1.585 5.857 1.00 0.00 O ATOM 638 CB ASN A 44 -3.450 3.767 4.176 1.00 0.00 C ATOM 639 CG ASN A 44 -2.306 4.759 4.270 1.00 0.00 C ATOM 640 OD1 ASN A 44 -1.147 4.376 4.426 1.00 0.00 O ATOM 641 ND2 ASN A 44 -2.629 6.044 4.179 1.00 0.00 N ATOM 0 H ASN A 44 -4.123 1.054 2.534 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.464 2.509 2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.212 4.158 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.916 3.660 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.903 6.758 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.603 6.317 4.050 1.00 0.00 H new ATOM 648 N PHE A 45 -0.818 1.470 4.233 1.00 0.00 N ATOM 649 CA PHE A 45 0.206 0.886 5.085 1.00 0.00 C ATOM 650 C PHE A 45 1.419 1.811 5.142 1.00 0.00 C ATOM 651 O PHE A 45 1.748 2.470 4.156 1.00 0.00 O ATOM 652 CB PHE A 45 0.607 -0.487 4.552 1.00 0.00 C ATOM 653 CG PHE A 45 -0.452 -1.536 4.743 1.00 0.00 C ATOM 654 CD1 PHE A 45 -1.536 -1.610 3.879 1.00 0.00 C ATOM 655 CD2 PHE A 45 -0.370 -2.445 5.787 1.00 0.00 C ATOM 656 CE1 PHE A 45 -2.516 -2.570 4.054 1.00 0.00 C ATOM 657 CE2 PHE A 45 -1.348 -3.407 5.968 1.00 0.00 C ATOM 658 CZ PHE A 45 -2.423 -3.469 5.099 1.00 0.00 C ATOM 0 H PHE A 45 -0.523 1.620 3.268 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.191 0.765 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.837 -0.403 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.521 -0.809 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.615 -0.910 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.468 -2.402 6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.354 -2.617 3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.272 -4.108 6.786 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.188 -4.219 5.237 1.00 0.00 H new ATOM 668 N LYS A 46 2.072 1.875 6.297 1.00 0.00 N ATOM 669 CA LYS A 46 3.237 2.739 6.460 1.00 0.00 C ATOM 670 C LYS A 46 4.381 2.315 5.537 1.00 0.00 C ATOM 671 O LYS A 46 5.315 3.082 5.303 1.00 0.00 O ATOM 672 CB LYS A 46 3.704 2.746 7.918 1.00 0.00 C ATOM 673 CG LYS A 46 4.311 1.431 8.381 1.00 0.00 C ATOM 674 CD LYS A 46 4.831 1.528 9.808 1.00 0.00 C ATOM 675 CE LYS A 46 6.265 1.032 9.921 1.00 0.00 C ATOM 676 NZ LYS A 46 7.115 1.962 10.716 1.00 0.00 N ATOM 0 H LYS A 46 1.817 1.343 7.129 1.00 0.00 H new ATOM 0 HA LYS A 46 2.939 3.750 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.440 3.540 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.856 2.988 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.562 0.642 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.126 1.151 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.777 2.563 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.191 0.943 10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.272 0.046 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.689 0.917 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.084 1.587 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.129 2.896 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.726 2.053 11.676 1.00 0.00 H new ATOM 690 N SER A 47 4.300 1.097 5.008 1.00 0.00 N ATOM 691 CA SER A 47 5.326 0.585 4.109 1.00 0.00 C ATOM 692 C SER A 47 4.752 -0.431 3.138 1.00 0.00 C ATOM 693 O SER A 47 3.850 -1.196 3.480 1.00 0.00 O ATOM 694 CB SER A 47 6.477 -0.047 4.897 1.00 0.00 C ATOM 695 OG SER A 47 6.130 -0.263 6.255 1.00 0.00 O ATOM 0 H SER A 47 3.534 0.448 5.187 1.00 0.00 H new ATOM 0 HA SER A 47 5.709 1.431 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.754 -0.996 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.352 0.601 4.844 1.00 0.00 H new ATOM 0 HG SER A 47 6.888 -0.669 6.726 1.00 0.00 H new ATOM 701 N ALA A 48 5.295 -0.448 1.925 1.00 0.00 N ATOM 702 CA ALA A 48 4.839 -1.383 0.908 1.00 0.00 C ATOM 703 C ALA A 48 4.999 -2.805 1.400 1.00 0.00 C ATOM 704 O ALA A 48 4.125 -3.645 1.192 1.00 0.00 O ATOM 705 CB ALA A 48 5.594 -1.181 -0.397 1.00 0.00 C ATOM 0 H ALA A 48 6.047 0.172 1.625 1.00 0.00 H new ATOM 0 HA ALA A 48 3.783 -1.194 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.234 -1.893 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.431 -0.166 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.659 -1.340 -0.229 1.00 0.00 H new ATOM 711 N GLU A 49 6.104 -3.065 2.086 1.00 0.00 N ATOM 712 CA GLU A 49 6.339 -4.384 2.634 1.00 0.00 C ATOM 713 C GLU A 49 5.195 -4.721 3.573 1.00 0.00 C ATOM 714 O GLU A 49 4.690 -5.841 3.582 1.00 0.00 O ATOM 715 CB GLU A 49 7.678 -4.435 3.376 1.00 0.00 C ATOM 716 CG GLU A 49 8.514 -5.660 3.039 1.00 0.00 C ATOM 717 CD GLU A 49 9.539 -5.978 4.109 1.00 0.00 C ATOM 718 OE1 GLU A 49 10.141 -5.029 4.657 1.00 0.00 O ATOM 719 OE2 GLU A 49 9.743 -7.176 4.399 1.00 0.00 O ATOM 0 H GLU A 49 6.841 -2.385 2.272 1.00 0.00 H new ATOM 0 HA GLU A 49 6.386 -5.115 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.250 -3.538 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.490 -4.418 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.856 -6.519 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.024 -5.497 2.089 1.00 0.00 H new ATOM 726 N ASP A 50 4.765 -3.716 4.335 1.00 0.00 N ATOM 727 CA ASP A 50 3.653 -3.886 5.258 1.00 0.00 C ATOM 728 C ASP A 50 2.362 -4.159 4.491 1.00 0.00 C ATOM 729 O ASP A 50 1.582 -5.033 4.870 1.00 0.00 O ATOM 730 CB ASP A 50 3.495 -2.646 6.138 1.00 0.00 C ATOM 731 CG ASP A 50 3.489 -2.984 7.617 1.00 0.00 C ATOM 732 OD1 ASP A 50 2.863 -3.999 7.991 1.00 0.00 O ATOM 733 OD2 ASP A 50 4.110 -2.235 8.399 1.00 0.00 O ATOM 0 H ASP A 50 5.171 -2.780 4.329 1.00 0.00 H new ATOM 0 HA ASP A 50 3.864 -4.742 5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.308 -1.950 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.566 -2.137 5.881 1.00 0.00 H new ATOM 738 N CYS A 51 2.142 -3.412 3.406 1.00 0.00 N ATOM 739 CA CYS A 51 0.944 -3.591 2.592 1.00 0.00 C ATOM 740 C CYS A 51 0.925 -4.998 1.999 1.00 0.00 C ATOM 741 O CYS A 51 -0.001 -5.775 2.232 1.00 0.00 O ATOM 742 CB CYS A 51 0.918 -2.535 1.474 1.00 0.00 C ATOM 743 SG CYS A 51 -0.226 -2.896 0.097 1.00 0.00 S ATOM 0 H CYS A 51 2.775 -2.683 3.075 1.00 0.00 H new ATOM 0 HA CYS A 51 0.059 -3.466 3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.646 -1.573 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.925 -2.429 1.071 1.00 0.00 H new ATOM 748 N LEU A 52 1.970 -5.318 1.245 1.00 0.00 N ATOM 749 CA LEU A 52 2.102 -6.624 0.610 1.00 0.00 C ATOM 750 C LEU A 52 1.967 -7.764 1.620 1.00 0.00 C ATOM 751 O LEU A 52 1.277 -8.747 1.366 1.00 0.00 O ATOM 752 CB LEU A 52 3.452 -6.723 -0.101 1.00 0.00 C ATOM 753 CG LEU A 52 3.581 -5.874 -1.368 1.00 0.00 C ATOM 754 CD1 LEU A 52 4.903 -6.155 -2.062 1.00 0.00 C ATOM 755 CD2 LEU A 52 2.417 -6.140 -2.310 1.00 0.00 C ATOM 0 H LEU A 52 2.746 -4.683 1.057 1.00 0.00 H new ATOM 0 HA LEU A 52 1.294 -6.722 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.235 -6.428 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.633 -7.766 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 52 3.557 -4.822 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.979 -5.543 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.726 -5.914 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.954 -7.209 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.526 -5.528 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.409 -7.193 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.481 -5.890 -1.811 1.00 0.00 H new ATOM 767 N ARG A 53 2.628 -7.636 2.764 1.00 0.00 N ATOM 768 CA ARG A 53 2.572 -8.679 3.786 1.00 0.00 C ATOM 769 C ARG A 53 1.138 -8.921 4.250 1.00 0.00 C ATOM 770 O ARG A 53 0.674 -10.060 4.291 1.00 0.00 O ATOM 771 CB ARG A 53 3.449 -8.309 4.987 1.00 0.00 C ATOM 772 CG ARG A 53 4.170 -9.495 5.603 1.00 0.00 C ATOM 773 CD ARG A 53 3.223 -10.379 6.400 1.00 0.00 C ATOM 774 NE ARG A 53 3.465 -10.283 7.839 1.00 0.00 N ATOM 775 CZ ARG A 53 2.818 -9.447 8.650 1.00 0.00 C ATOM 776 NH1 ARG A 53 1.894 -8.621 8.173 1.00 0.00 N ATOM 777 NH2 ARG A 53 3.101 -9.434 9.947 1.00 0.00 N ATOM 0 H ARG A 53 3.204 -6.830 3.008 1.00 0.00 H new ATOM 0 HA ARG A 53 2.951 -9.598 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.186 -7.569 4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.828 -7.837 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.641 -10.084 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.968 -9.137 6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.193 -10.093 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.339 -11.415 6.081 1.00 0.00 H new ATOM 0 HE ARG A 53 4.173 -10.894 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.674 -8.623 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.405 -7.985 8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.812 -10.063 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.607 -8.795 10.570 1.00 0.00 H new ATOM 791 N THR A 54 0.443 -7.846 4.603 1.00 0.00 N ATOM 792 CA THR A 54 -0.935 -7.944 5.074 1.00 0.00 C ATOM 793 C THR A 54 -1.922 -8.134 3.924 1.00 0.00 C ATOM 794 O THR A 54 -2.647 -9.127 3.874 1.00 0.00 O ATOM 795 CB THR A 54 -1.310 -6.692 5.870 1.00 0.00 C ATOM 796 OG1 THR A 54 -0.336 -6.415 6.859 1.00 0.00 O ATOM 797 CG2 THR A 54 -2.651 -6.806 6.565 1.00 0.00 C ATOM 0 H THR A 54 0.811 -6.895 4.572 1.00 0.00 H new ATOM 0 HA THR A 54 -0.996 -8.823 5.716 1.00 0.00 H new ATOM 0 HB THR A 54 -1.365 -5.888 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.416 -5.936 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.857 -5.886 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.432 -6.970 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.630 -7.644 7.261 1.00 0.00 H new ATOM 805 N CYS A 55 -1.969 -7.158 3.025 1.00 0.00 N ATOM 806 CA CYS A 55 -2.890 -7.200 1.897 1.00 0.00 C ATOM 807 C CYS A 55 -2.448 -8.190 0.820 1.00 0.00 C ATOM 808 O CYS A 55 -3.274 -8.908 0.255 1.00 0.00 O ATOM 809 CB CYS A 55 -3.051 -5.802 1.289 1.00 0.00 C ATOM 810 SG CYS A 55 -4.604 -4.966 1.750 1.00 0.00 S ATOM 0 H CYS A 55 -1.379 -6.327 3.056 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.850 -7.544 2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.210 -5.182 1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.002 -5.882 0.203 1.00 0.00 H new ATOM 815 N GLY A 56 -1.153 -8.222 0.529 1.00 0.00 N ATOM 816 CA GLY A 56 -0.650 -9.130 -0.489 1.00 0.00 C ATOM 817 C GLY A 56 -0.726 -10.583 -0.058 1.00 0.00 C ATOM 818 O GLY A 56 -1.750 -11.239 -0.248 1.00 0.00 O ATOM 0 H GLY A 56 -0.444 -7.640 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.223 -8.996 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.385 -8.876 -0.719 1.00 0.00 H new ATOM 822 N GLY A 57 0.358 -11.086 0.524 1.00 0.00 N ATOM 823 CA GLY A 57 0.385 -12.468 0.971 1.00 0.00 C ATOM 824 C GLY A 57 -0.674 -12.759 2.017 1.00 0.00 C ATOM 825 O GLY A 57 -0.433 -12.605 3.214 1.00 0.00 O ATOM 0 H GLY A 57 1.217 -10.563 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.237 -13.127 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.369 -12.695 1.381 1.00 0.00 H new ATOM 829 N ALA A 58 -1.851 -13.181 1.565 1.00 0.00 N ATOM 830 CA ALA A 58 -2.948 -13.495 2.471 1.00 0.00 C ATOM 831 C ALA A 58 -2.725 -14.841 3.154 1.00 0.00 C ATOM 832 O ALA A 58 -1.569 -15.312 3.167 1.00 0.00 O ATOM 833 CB ALA A 58 -4.273 -13.490 1.722 1.00 0.00 C ATOM 834 OXT ALA A 58 -3.709 -15.412 3.669 1.00 0.00 O ATOM 0 H ALA A 58 -2.068 -13.313 0.577 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.981 -12.726 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.082 -13.726 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.442 -12.504 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.245 -14.236 0.928 1.00 0.00 H new TER 840 ALA A 58