USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 251 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 10 SER OG : rot -139:sc= 0.937 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -118:sc= 0.746 USER MOD Single : A 25 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 38 HIS : no HD1:sc= 0.837 K(o=0.84,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 10 -6.388 -1.056 5.720 1.00 0.00 N ATOM 2 CA SER A 10 -7.596 -1.701 6.257 1.00 0.00 C ATOM 3 C SER A 10 -8.671 -1.680 5.167 1.00 0.00 C ATOM 4 O SER A 10 -9.403 -0.708 4.966 1.00 0.00 O ATOM 5 CB SER A 10 -8.070 -1.082 7.583 1.00 0.00 C ATOM 6 OG SER A 10 -8.252 0.327 7.514 1.00 0.00 O ATOM 0 HA SER A 10 -7.367 -2.735 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.010 -1.549 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.343 -1.310 8.362 1.00 0.00 H new ATOM 0 HG SER A 10 -7.914 0.741 8.335 1.00 0.00 H new ATOM 12 N CYS A 11 -8.655 -2.742 4.369 1.00 0.00 N ATOM 13 CA CYS A 11 -9.268 -2.890 3.058 1.00 0.00 C ATOM 14 C CYS A 11 -9.764 -4.352 2.952 1.00 0.00 C ATOM 15 O CYS A 11 -9.918 -5.000 3.999 1.00 0.00 O ATOM 16 CB CYS A 11 -8.181 -2.477 2.047 1.00 0.00 C ATOM 17 SG CYS A 11 -8.782 -1.349 0.762 1.00 0.00 S ATOM 0 H CYS A 11 -8.170 -3.594 4.649 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.142 -2.267 2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.360 -2.001 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.777 -3.372 1.574 1.00 0.00 H new ATOM 22 N PRO A 12 -10.035 -4.933 1.765 1.00 0.00 N ATOM 23 CA PRO A 12 -10.173 -6.383 1.683 1.00 0.00 C ATOM 24 C PRO A 12 -8.878 -7.104 2.112 1.00 0.00 C ATOM 25 O PRO A 12 -7.816 -6.473 2.186 1.00 0.00 O ATOM 26 CB PRO A 12 -10.551 -6.690 0.224 1.00 0.00 C ATOM 27 CG PRO A 12 -10.953 -5.341 -0.367 1.00 0.00 C ATOM 28 CD PRO A 12 -10.116 -4.352 0.436 1.00 0.00 C ATOM 0 HA PRO A 12 -10.939 -6.747 2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.712 -7.125 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.371 -7.406 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.732 -5.285 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.020 -5.152 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.126 -4.224 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.583 -3.367 0.462 1.00 0.00 H new ATOM 36 N PRO A 13 -8.912 -8.423 2.380 1.00 0.00 N ATOM 37 CA PRO A 13 -7.710 -9.158 2.748 1.00 0.00 C ATOM 38 C PRO A 13 -6.715 -9.191 1.588 1.00 0.00 C ATOM 39 O PRO A 13 -7.063 -9.222 0.404 1.00 0.00 O ATOM 40 CB PRO A 13 -8.183 -10.546 3.183 1.00 0.00 C ATOM 41 CG PRO A 13 -9.453 -10.734 2.360 1.00 0.00 C ATOM 42 CD PRO A 13 -10.049 -9.326 2.302 1.00 0.00 C ATOM 0 HA PRO A 13 -7.167 -8.682 3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.441 -11.314 2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.383 -10.590 4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.233 -11.119 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.136 -11.441 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.609 -9.174 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.742 -9.158 3.127 1.00 0.00 H new ATOM 50 N GLY A 14 -5.445 -9.144 1.971 1.00 0.00 N ATOM 51 CA GLY A 14 -4.310 -8.995 1.070 1.00 0.00 C ATOM 52 C GLY A 14 -4.197 -7.628 0.374 1.00 0.00 C ATOM 53 O GLY A 14 -3.522 -7.549 -0.652 1.00 0.00 O ATOM 0 H GLY A 14 -5.168 -9.211 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.394 -9.174 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.370 -9.769 0.305 1.00 0.00 H new ATOM 57 N GLN A 15 -4.824 -6.557 0.885 1.00 0.00 N ATOM 58 CA GLN A 15 -4.762 -5.185 0.380 1.00 0.00 C ATOM 59 C GLN A 15 -4.537 -4.196 1.537 1.00 0.00 C ATOM 60 O GLN A 15 -5.285 -4.182 2.517 1.00 0.00 O ATOM 61 CB GLN A 15 -6.032 -4.836 -0.413 1.00 0.00 C ATOM 62 CG GLN A 15 -5.844 -5.183 -1.894 1.00 0.00 C ATOM 63 CD GLN A 15 -7.167 -5.413 -2.598 1.00 0.00 C ATOM 64 OE1 GLN A 15 -7.687 -4.578 -3.327 1.00 0.00 O ATOM 65 NE2 GLN A 15 -7.742 -6.579 -2.410 1.00 0.00 N ATOM 0 H GLN A 15 -5.421 -6.634 1.709 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.915 -5.105 -0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.884 -5.384 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.256 -3.775 -0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.306 -4.375 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.227 -6.077 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.305 -7.271 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.626 -6.792 -2.872 1.00 0.00 H new ATOM 74 N PHE A 16 -3.510 -3.357 1.405 1.00 0.00 N ATOM 75 CA PHE A 16 -3.136 -2.296 2.368 1.00 0.00 C ATOM 76 C PHE A 16 -3.108 -0.894 1.720 1.00 0.00 C ATOM 77 O PHE A 16 -3.065 -0.790 0.494 1.00 0.00 O ATOM 78 CB PHE A 16 -1.774 -2.641 3.005 1.00 0.00 C ATOM 79 CG PHE A 16 -0.579 -2.281 2.140 1.00 0.00 C ATOM 80 CD1 PHE A 16 -0.287 -3.051 1.007 1.00 0.00 C ATOM 81 CD2 PHE A 16 0.194 -1.136 2.410 1.00 0.00 C ATOM 82 CE1 PHE A 16 0.742 -2.677 0.135 1.00 0.00 C ATOM 83 CE2 PHE A 16 1.209 -0.736 1.520 1.00 0.00 C ATOM 84 CZ PHE A 16 1.482 -1.513 0.378 1.00 0.00 C ATOM 0 H PHE A 16 -2.887 -3.390 0.598 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.901 -2.258 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.689 -2.121 3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.745 -3.709 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.862 -3.943 0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.007 -0.561 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.966 -3.287 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.776 0.163 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.260 -1.212 -0.308 1.00 0.00 H new ATOM 94 N ARG A 17 -3.090 0.195 2.509 1.00 0.00 N ATOM 95 CA ARG A 17 -2.881 1.572 1.998 1.00 0.00 C ATOM 96 C ARG A 17 -1.462 2.103 2.208 1.00 0.00 C ATOM 97 O ARG A 17 -0.805 1.805 3.206 1.00 0.00 O ATOM 98 CB ARG A 17 -3.929 2.550 2.550 1.00 0.00 C ATOM 99 CG ARG A 17 -3.817 2.852 4.056 1.00 0.00 C ATOM 100 CD ARG A 17 -4.906 3.830 4.520 1.00 0.00 C ATOM 101 NE ARG A 17 -6.259 3.255 4.405 1.00 0.00 N ATOM 102 CZ ARG A 17 -6.866 2.454 5.255 1.00 0.00 C ATOM 103 NH1 ARG A 17 -6.330 2.095 6.382 1.00 0.00 N ATOM 104 NH2 ARG A 17 -8.042 1.978 4.981 1.00 0.00 N ATOM 0 H ARG A 17 -3.219 0.151 3.520 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.015 1.501 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.851 3.488 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.921 2.145 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.897 1.923 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.834 3.272 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.720 4.112 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.849 4.742 3.926 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.786 3.507 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.403 2.436 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.836 1.472 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.500 2.224 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.508 1.358 5.643 1.00 0.00 H new ATOM 118 N CYS A 18 -1.021 2.933 1.265 1.00 0.00 N ATOM 119 CA CYS A 18 0.336 3.468 1.187 1.00 0.00 C ATOM 120 C CYS A 18 0.524 4.798 1.936 1.00 0.00 C ATOM 121 O CYS A 18 0.859 4.833 3.121 1.00 0.00 O ATOM 122 CB CYS A 18 0.701 3.593 -0.301 1.00 0.00 C ATOM 123 SG CYS A 18 1.323 2.067 -1.020 1.00 0.00 S ATOM 0 H CYS A 18 -1.620 3.263 0.508 1.00 0.00 H new ATOM 0 HA CYS A 18 1.012 2.780 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.180 3.914 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.453 4.373 -0.418 1.00 0.00 H new ATOM 128 N SER A 19 0.351 5.895 1.205 1.00 0.00 N ATOM 129 CA SER A 19 0.896 7.239 1.487 1.00 0.00 C ATOM 130 C SER A 19 -0.166 8.272 1.867 1.00 0.00 C ATOM 131 O SER A 19 -0.021 9.485 1.690 1.00 0.00 O ATOM 132 CB SER A 19 1.815 7.679 0.336 1.00 0.00 C ATOM 133 OG SER A 19 1.165 7.539 -0.919 1.00 0.00 O ATOM 0 H SER A 19 -0.203 5.880 0.349 1.00 0.00 H new ATOM 0 HA SER A 19 1.504 7.171 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.113 8.717 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.727 7.082 0.346 1.00 0.00 H new ATOM 0 HG SER A 19 1.658 6.898 -1.473 1.00 0.00 H new ATOM 139 N GLU A 20 -1.226 7.751 2.466 1.00 0.00 N ATOM 140 CA GLU A 20 -2.368 8.455 3.052 1.00 0.00 C ATOM 141 C GLU A 20 -2.797 7.731 4.354 1.00 0.00 C ATOM 142 O GLU A 20 -3.104 6.535 4.296 1.00 0.00 O ATOM 143 CB GLU A 20 -3.490 8.493 2.000 1.00 0.00 C ATOM 144 CG GLU A 20 -4.687 9.374 2.383 1.00 0.00 C ATOM 145 CD GLU A 20 -4.424 10.863 2.078 1.00 0.00 C ATOM 146 OE1 GLU A 20 -3.843 11.575 2.932 1.00 0.00 O ATOM 147 OE2 GLU A 20 -4.800 11.336 0.977 1.00 0.00 O ATOM 0 H GLU A 20 -1.322 6.740 2.566 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.117 9.480 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.076 8.852 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.843 7.477 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.571 9.042 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.902 9.253 3.445 1.00 0.00 H new ATOM 154 N PRO A 21 -2.761 8.382 5.535 1.00 0.00 N ATOM 155 CA PRO A 21 -3.054 7.742 6.826 1.00 0.00 C ATOM 156 C PRO A 21 -4.555 7.423 7.031 1.00 0.00 C ATOM 157 O PRO A 21 -5.402 7.900 6.266 1.00 0.00 O ATOM 158 CB PRO A 21 -2.540 8.735 7.879 1.00 0.00 C ATOM 159 CG PRO A 21 -2.708 10.089 7.196 1.00 0.00 C ATOM 160 CD PRO A 21 -2.374 9.770 5.742 1.00 0.00 C ATOM 0 HA PRO A 21 -2.569 6.768 6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.116 8.676 8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.499 8.542 8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.722 10.475 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.035 10.839 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.914 10.431 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.311 9.912 5.546 1.00 0.00 H new ATOM 168 N PRO A 22 -4.914 6.641 8.073 1.00 0.00 N ATOM 169 CA PRO A 22 -6.303 6.371 8.458 1.00 0.00 C ATOM 170 C PRO A 22 -7.173 7.614 8.700 1.00 0.00 C ATOM 171 O PRO A 22 -6.702 8.747 8.817 1.00 0.00 O ATOM 172 CB PRO A 22 -6.238 5.518 9.725 1.00 0.00 C ATOM 173 CG PRO A 22 -4.903 4.809 9.586 1.00 0.00 C ATOM 174 CD PRO A 22 -4.019 5.866 8.925 1.00 0.00 C ATOM 0 HA PRO A 22 -6.792 5.869 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.279 6.129 10.627 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.067 4.812 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.508 4.500 10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.985 3.911 8.974 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.540 6.500 9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.223 5.404 8.341 1.00 0.00 H new ATOM 182 N GLY A 23 -8.483 7.375 8.756 1.00 0.00 N ATOM 183 CA GLY A 23 -9.550 8.387 8.710 1.00 0.00 C ATOM 184 C GLY A 23 -9.793 8.983 7.314 1.00 0.00 C ATOM 185 O GLY A 23 -10.900 9.440 7.020 1.00 0.00 O ATOM 0 H GLY A 23 -8.851 6.427 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.477 7.938 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.300 9.194 9.399 1.00 0.00 H new ATOM 189 N ALA A 24 -8.797 8.903 6.427 1.00 0.00 N ATOM 190 CA ALA A 24 -8.876 9.139 4.989 1.00 0.00 C ATOM 191 C ALA A 24 -8.604 7.809 4.258 1.00 0.00 C ATOM 192 O ALA A 24 -7.537 7.587 3.680 1.00 0.00 O ATOM 193 CB ALA A 24 -7.914 10.277 4.616 1.00 0.00 C ATOM 0 H ALA A 24 -7.851 8.655 6.718 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.868 9.467 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.966 10.460 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.196 11.183 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.896 9.997 4.887 1.00 0.00 H new ATOM 199 N HIS A 25 -9.574 6.889 4.346 1.00 0.00 N ATOM 200 CA HIS A 25 -9.481 5.464 4.003 1.00 0.00 C ATOM 201 C HIS A 25 -8.909 5.155 2.613 1.00 0.00 C ATOM 202 O HIS A 25 -8.172 4.178 2.455 1.00 0.00 O ATOM 203 CB HIS A 25 -10.879 4.856 4.183 1.00 0.00 C ATOM 204 CG HIS A 25 -11.397 4.903 5.603 1.00 0.00 C ATOM 205 ND1 HIS A 25 -10.853 4.235 6.687 1.00 0.00 N ATOM 206 CD2 HIS A 25 -12.498 5.591 6.034 1.00 0.00 C ATOM 207 CE1 HIS A 25 -11.612 4.522 7.765 1.00 0.00 C ATOM 208 NE2 HIS A 25 -12.615 5.347 7.393 1.00 0.00 N ATOM 0 H HIS A 25 -10.505 7.137 4.681 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.752 5.012 4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.579 5.384 3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.857 3.818 3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.150 6.206 5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.444 4.151 8.765 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -13.336 5.726 8.008 1.00 0.00 H new ATOM 217 N GLY A 26 -9.205 6.016 1.645 1.00 0.00 N ATOM 218 CA GLY A 26 -8.566 6.081 0.328 1.00 0.00 C ATOM 219 C GLY A 26 -8.751 4.827 -0.531 1.00 0.00 C ATOM 220 O GLY A 26 -9.743 4.101 -0.420 1.00 0.00 O ATOM 0 H GLY A 26 -9.931 6.723 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.965 6.939 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.499 6.258 0.464 1.00 0.00 H new ATOM 224 N GLU A 27 -7.789 4.596 -1.423 1.00 0.00 N ATOM 225 CA GLU A 27 -7.711 3.448 -2.330 1.00 0.00 C ATOM 226 C GLU A 27 -6.349 2.764 -2.215 1.00 0.00 C ATOM 227 O GLU A 27 -5.284 3.309 -2.514 1.00 0.00 O ATOM 228 CB GLU A 27 -8.063 3.879 -3.764 1.00 0.00 C ATOM 229 CG GLU A 27 -8.123 2.686 -4.732 1.00 0.00 C ATOM 230 CD GLU A 27 -8.606 3.072 -6.149 1.00 0.00 C ATOM 231 OE1 GLU A 27 -8.468 4.247 -6.572 1.00 0.00 O ATOM 232 OE2 GLU A 27 -9.121 2.179 -6.870 1.00 0.00 O ATOM 0 H GLU A 27 -7.003 5.235 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.450 2.700 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.025 4.391 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.322 4.595 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.133 2.235 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.790 1.928 -4.322 1.00 0.00 H new ATOM 239 N CYS A 28 -6.451 1.553 -1.688 1.00 0.00 N ATOM 240 CA CYS A 28 -5.431 0.603 -1.314 1.00 0.00 C ATOM 241 C CYS A 28 -4.694 -0.016 -2.522 1.00 0.00 C ATOM 242 O CYS A 28 -5.007 0.256 -3.685 1.00 0.00 O ATOM 243 CB CYS A 28 -6.219 -0.469 -0.557 1.00 0.00 C ATOM 244 SG CYS A 28 -7.392 0.127 0.694 1.00 0.00 S ATOM 0 H CYS A 28 -7.376 1.171 -1.490 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.639 1.074 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.769 -1.067 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.508 -1.136 -0.069 1.00 0.00 H new ATOM 249 N TYR A 29 -3.751 -0.912 -2.235 1.00 0.00 N ATOM 250 CA TYR A 29 -2.965 -1.684 -3.200 1.00 0.00 C ATOM 251 C TYR A 29 -2.734 -3.101 -2.648 1.00 0.00 C ATOM 252 O TYR A 29 -2.788 -3.289 -1.427 1.00 0.00 O ATOM 253 CB TYR A 29 -1.617 -0.976 -3.454 1.00 0.00 C ATOM 254 CG TYR A 29 -1.685 0.454 -3.974 1.00 0.00 C ATOM 255 CD1 TYR A 29 -1.819 0.721 -5.353 1.00 0.00 C ATOM 256 CD2 TYR A 29 -1.581 1.530 -3.068 1.00 0.00 C ATOM 257 CE1 TYR A 29 -1.876 2.049 -5.820 1.00 0.00 C ATOM 258 CE2 TYR A 29 -1.641 2.859 -3.529 1.00 0.00 C ATOM 259 CZ TYR A 29 -1.793 3.123 -4.907 1.00 0.00 C ATOM 260 OH TYR A 29 -1.845 4.412 -5.348 1.00 0.00 O ATOM 0 H TYR A 29 -3.500 -1.132 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.504 -1.755 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.053 -0.973 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.049 -1.572 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.878 -0.098 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.455 1.333 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.983 2.246 -6.877 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.571 3.677 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.775 5.022 -4.584 1.00 0.00 H new ATOM 270 N PRO A 30 -2.493 -4.122 -3.494 1.00 0.00 N ATOM 271 CA PRO A 30 -2.221 -5.473 -3.007 1.00 0.00 C ATOM 272 C PRO A 30 -0.981 -5.523 -2.113 1.00 0.00 C ATOM 273 O PRO A 30 0.000 -4.833 -2.360 1.00 0.00 O ATOM 274 CB PRO A 30 -2.013 -6.342 -4.248 1.00 0.00 C ATOM 275 CG PRO A 30 -2.629 -5.531 -5.389 1.00 0.00 C ATOM 276 CD PRO A 30 -2.416 -4.085 -4.947 1.00 0.00 C ATOM 0 HA PRO A 30 -3.051 -5.826 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.955 -6.536 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.501 -7.311 -4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.138 -5.737 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.687 -5.760 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.450 -3.708 -5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.178 -3.427 -5.366 1.00 0.00 H new ATOM 284 N GLN A 31 -0.968 -6.427 -1.141 1.00 0.00 N ATOM 285 CA GLN A 31 0.228 -6.781 -0.358 1.00 0.00 C ATOM 286 C GLN A 31 1.209 -7.671 -1.142 1.00 0.00 C ATOM 287 O GLN A 31 2.304 -7.978 -0.675 1.00 0.00 O ATOM 288 CB GLN A 31 -0.191 -7.477 0.947 1.00 0.00 C ATOM 289 CG GLN A 31 -0.988 -6.562 1.893 1.00 0.00 C ATOM 290 CD GLN A 31 -1.638 -7.304 3.061 1.00 0.00 C ATOM 291 OE1 GLN A 31 -2.791 -7.076 3.404 1.00 0.00 O ATOM 292 NE2 GLN A 31 -0.955 -8.218 3.719 1.00 0.00 N ATOM 0 H GLN A 31 -1.799 -6.949 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 31 0.753 -5.853 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.793 -8.353 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.700 -7.834 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.323 -5.794 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.763 -6.051 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.007 -8.426 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.388 -8.718 4.495 1.00 0.00 H new ATOM 301 N ASP A 32 0.857 -8.033 -2.373 1.00 0.00 N ATOM 302 CA ASP A 32 1.813 -8.438 -3.402 1.00 0.00 C ATOM 303 C ASP A 32 2.791 -7.309 -3.737 1.00 0.00 C ATOM 304 O ASP A 32 3.981 -7.520 -3.964 1.00 0.00 O ATOM 305 CB ASP A 32 1.017 -8.833 -4.648 1.00 0.00 C ATOM 306 CG ASP A 32 1.835 -9.699 -5.618 1.00 0.00 C ATOM 307 OD1 ASP A 32 2.214 -10.835 -5.244 1.00 0.00 O ATOM 308 OD2 ASP A 32 2.074 -9.258 -6.768 1.00 0.00 O ATOM 0 H ASP A 32 -0.113 -8.054 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 32 2.406 -9.277 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.122 -9.377 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.684 -7.932 -5.163 1.00 0.00 H new ATOM 313 N TRP A 33 2.260 -6.090 -3.681 1.00 0.00 N ATOM 314 CA TRP A 33 2.937 -4.805 -3.748 1.00 0.00 C ATOM 315 C TRP A 33 3.269 -4.269 -2.357 1.00 0.00 C ATOM 316 O TRP A 33 3.102 -3.093 -2.053 1.00 0.00 O ATOM 317 CB TRP A 33 2.147 -3.789 -4.576 1.00 0.00 C ATOM 318 CG TRP A 33 1.624 -4.148 -5.944 1.00 0.00 C ATOM 319 CD1 TRP A 33 1.685 -5.351 -6.564 1.00 0.00 C ATOM 320 CD2 TRP A 33 0.897 -3.274 -6.862 1.00 0.00 C ATOM 321 NE1 TRP A 33 0.999 -5.298 -7.763 1.00 0.00 N ATOM 322 CE2 TRP A 33 0.469 -4.046 -7.984 1.00 0.00 C ATOM 323 CE3 TRP A 33 0.544 -1.905 -6.857 1.00 0.00 C ATOM 324 CZ2 TRP A 33 -0.316 -3.511 -9.016 1.00 0.00 C ATOM 325 CZ3 TRP A 33 -0.222 -1.351 -7.900 1.00 0.00 C ATOM 326 CH2 TRP A 33 -0.674 -2.154 -8.963 1.00 0.00 C ATOM 0 H TRP A 33 1.252 -5.970 -3.578 1.00 0.00 H new ATOM 0 HA TRP A 33 3.884 -4.967 -4.263 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.290 -3.483 -3.976 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.782 -2.911 -4.696 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.194 -6.222 -6.179 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.898 -6.086 -8.403 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.867 -1.275 -6.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -0.640 -4.132 -9.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.465 -0.299 -7.884 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.295 -1.728 -9.737 1.00 0.00 H new ATOM 337 N LEU A 34 3.766 -5.178 -1.527 1.00 0.00 N ATOM 338 CA LEU A 34 4.461 -4.961 -0.262 1.00 0.00 C ATOM 339 C LEU A 34 5.716 -5.858 -0.250 1.00 0.00 C ATOM 340 O LEU A 34 5.617 -7.083 -0.148 1.00 0.00 O ATOM 341 CB LEU A 34 3.473 -5.235 0.888 1.00 0.00 C ATOM 342 CG LEU A 34 3.987 -4.807 2.271 1.00 0.00 C ATOM 343 CD1 LEU A 34 3.960 -3.290 2.445 1.00 0.00 C ATOM 344 CD2 LEU A 34 3.103 -5.414 3.361 1.00 0.00 C ATOM 0 H LEU A 34 3.687 -6.172 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 34 4.805 -3.934 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.538 -4.713 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.245 -6.301 0.911 1.00 0.00 H new ATOM 0 HG LEU A 34 5.016 -5.158 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.331 -3.031 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.592 -2.826 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.937 -2.929 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.471 -5.108 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.078 -5.066 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.129 -6.501 3.287 1.00 0.00 H new ATOM 356 N CYS A 35 6.889 -5.248 -0.435 1.00 0.00 N ATOM 357 CA CYS A 35 8.164 -5.845 -0.807 1.00 0.00 C ATOM 358 C CYS A 35 8.042 -6.722 -2.064 1.00 0.00 C ATOM 359 O CYS A 35 8.192 -7.946 -2.040 1.00 0.00 O ATOM 360 CB CYS A 35 8.766 -6.488 0.422 1.00 0.00 C ATOM 361 SG CYS A 35 10.355 -7.318 0.271 1.00 0.00 S ATOM 0 H CYS A 35 6.973 -4.238 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 35 8.881 -5.091 -1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.868 -5.715 1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.048 -7.215 0.800 1.00 0.00 H new ATOM 366 N ASP A 36 7.750 -6.061 -3.187 1.00 0.00 N ATOM 367 CA ASP A 36 7.763 -6.682 -4.520 1.00 0.00 C ATOM 368 C ASP A 36 9.189 -6.731 -5.109 1.00 0.00 C ATOM 369 O ASP A 36 9.442 -7.413 -6.104 1.00 0.00 O ATOM 370 CB ASP A 36 6.814 -5.905 -5.446 1.00 0.00 C ATOM 371 CG ASP A 36 6.594 -6.593 -6.809 1.00 0.00 C ATOM 372 OD1 ASP A 36 6.287 -7.809 -6.847 1.00 0.00 O ATOM 373 OD2 ASP A 36 6.694 -5.906 -7.853 1.00 0.00 O ATOM 0 H ASP A 36 7.496 -5.073 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 36 7.421 -7.713 -4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.852 -5.783 -4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.216 -4.906 -5.612 1.00 0.00 H new ATOM 378 N GLY A 37 10.128 -5.994 -4.502 1.00 0.00 N ATOM 379 CA GLY A 37 11.458 -5.710 -5.057 1.00 0.00 C ATOM 380 C GLY A 37 11.496 -4.497 -5.995 1.00 0.00 C ATOM 381 O GLY A 37 12.497 -4.229 -6.664 1.00 0.00 O ATOM 0 H GLY A 37 9.980 -5.568 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.155 -5.543 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.809 -6.588 -5.600 1.00 0.00 H new ATOM 385 N HIS A 38 10.361 -3.807 -6.065 1.00 0.00 N ATOM 386 CA HIS A 38 9.998 -2.675 -6.901 1.00 0.00 C ATOM 387 C HIS A 38 9.033 -1.770 -6.111 1.00 0.00 C ATOM 388 O HIS A 38 7.999 -2.282 -5.674 1.00 0.00 O ATOM 389 CB HIS A 38 9.331 -3.260 -8.151 1.00 0.00 C ATOM 390 CG HIS A 38 8.514 -2.261 -8.930 1.00 0.00 C ATOM 391 ND1 HIS A 38 8.978 -1.289 -9.801 1.00 0.00 N ATOM 392 CD2 HIS A 38 7.177 -2.059 -8.737 1.00 0.00 C ATOM 393 CE1 HIS A 38 7.926 -0.499 -10.113 1.00 0.00 C ATOM 394 NE2 HIS A 38 6.816 -0.966 -9.498 1.00 0.00 N ATOM 0 H HIS A 38 9.581 -4.064 -5.460 1.00 0.00 H new ATOM 0 HA HIS A 38 10.857 -2.069 -7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.101 -3.672 -8.803 1.00 0.00 H new ATOM 0 HB3 HIS A 38 8.688 -4.088 -7.854 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.525 -2.645 -8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.966 0.370 -10.754 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.876 -0.578 -9.582 1.00 0.00 H new ATOM 403 N PRO A 39 9.331 -0.473 -5.891 1.00 0.00 N ATOM 404 CA PRO A 39 8.427 0.413 -5.169 1.00 0.00 C ATOM 405 C PRO A 39 7.199 0.754 -6.000 1.00 0.00 C ATOM 406 O PRO A 39 7.275 0.864 -7.225 1.00 0.00 O ATOM 407 CB PRO A 39 9.182 1.699 -4.884 1.00 0.00 C ATOM 408 CG PRO A 39 10.509 1.592 -5.645 1.00 0.00 C ATOM 409 CD PRO A 39 10.431 0.290 -6.449 1.00 0.00 C ATOM 0 HA PRO A 39 8.095 -0.082 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.612 2.567 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.355 1.820 -3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.651 2.449 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.354 1.575 -4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.263 0.496 -7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.365 -0.267 -6.377 1.00 0.00 H new ATOM 417 N ASP A 40 6.094 1.052 -5.332 1.00 0.00 N ATOM 418 CA ASP A 40 4.872 1.506 -5.997 1.00 0.00 C ATOM 419 C ASP A 40 4.047 2.433 -5.094 1.00 0.00 C ATOM 420 O ASP A 40 2.949 2.841 -5.473 1.00 0.00 O ATOM 421 CB ASP A 40 4.059 0.291 -6.499 1.00 0.00 C ATOM 422 CG ASP A 40 3.577 0.504 -7.946 1.00 0.00 C ATOM 423 OD1 ASP A 40 2.489 1.091 -8.160 1.00 0.00 O ATOM 424 OD2 ASP A 40 4.299 0.092 -8.887 1.00 0.00 O ATOM 0 H ASP A 40 6.015 0.988 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 40 5.149 2.102 -6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.673 -0.608 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.201 0.130 -5.847 1.00 0.00 H new ATOM 429 N CYS A 41 4.554 2.789 -3.900 1.00 0.00 N ATOM 430 CA CYS A 41 3.704 3.403 -2.862 1.00 0.00 C ATOM 431 C CYS A 41 3.302 4.878 -3.079 1.00 0.00 C ATOM 432 O CYS A 41 2.880 5.578 -2.159 1.00 0.00 O ATOM 433 CB CYS A 41 4.241 3.138 -1.456 1.00 0.00 C ATOM 434 SG CYS A 41 3.245 2.074 -0.356 1.00 0.00 S ATOM 0 H CYS A 41 5.530 2.665 -3.632 1.00 0.00 H new ATOM 0 HA CYS A 41 2.753 2.882 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.229 2.689 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.376 4.100 -0.961 1.00 0.00 H new ATOM 439 N ASP A 42 3.597 5.388 -4.268 1.00 0.00 N ATOM 440 CA ASP A 42 3.916 6.778 -4.649 1.00 0.00 C ATOM 441 C ASP A 42 4.995 7.486 -3.795 1.00 0.00 C ATOM 442 O ASP A 42 5.466 8.579 -4.115 1.00 0.00 O ATOM 443 CB ASP A 42 2.620 7.590 -4.815 1.00 0.00 C ATOM 444 CG ASP A 42 2.834 8.915 -5.568 1.00 0.00 C ATOM 445 OD1 ASP A 42 3.265 8.881 -6.746 1.00 0.00 O ATOM 446 OD2 ASP A 42 2.524 9.996 -5.007 1.00 0.00 O ATOM 0 H ASP A 42 3.624 4.779 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 42 4.414 6.718 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.886 6.988 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.201 7.801 -3.831 1.00 0.00 H new ATOM 451 N ASP A 43 5.472 6.791 -2.768 1.00 0.00 N ATOM 452 CA ASP A 43 6.631 7.057 -1.925 1.00 0.00 C ATOM 453 C ASP A 43 7.621 5.886 -1.910 1.00 0.00 C ATOM 454 O ASP A 43 8.711 5.970 -1.348 1.00 0.00 O ATOM 455 CB ASP A 43 6.129 7.403 -0.525 1.00 0.00 C ATOM 456 CG ASP A 43 7.088 8.220 0.353 1.00 0.00 C ATOM 457 OD1 ASP A 43 7.970 8.945 -0.166 1.00 0.00 O ATOM 458 OD2 ASP A 43 6.880 8.192 1.589 1.00 0.00 O ATOM 0 H ASP A 43 5.004 5.934 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 43 7.191 7.899 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.196 7.958 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.895 6.474 -0.005 1.00 0.00 H new ATOM 463 N GLY A 44 7.229 4.772 -2.534 1.00 0.00 N ATOM 464 CA GLY A 44 7.985 3.516 -2.464 1.00 0.00 C ATOM 465 C GLY A 44 8.045 2.876 -1.086 1.00 0.00 C ATOM 466 O GLY A 44 8.837 1.967 -0.868 1.00 0.00 O ATOM 0 H GLY A 44 6.382 4.714 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.541 2.804 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.003 3.703 -2.805 1.00 0.00 H new ATOM 470 N ARG A 45 7.183 3.310 -0.165 1.00 0.00 N ATOM 471 CA ARG A 45 7.129 2.838 1.228 1.00 0.00 C ATOM 472 C ARG A 45 6.482 1.466 1.359 1.00 0.00 C ATOM 473 O ARG A 45 6.325 0.956 2.467 1.00 0.00 O ATOM 474 CB ARG A 45 6.536 3.908 2.168 1.00 0.00 C ATOM 475 CG ARG A 45 5.024 4.142 2.028 1.00 0.00 C ATOM 476 CD ARG A 45 4.454 5.033 3.137 1.00 0.00 C ATOM 477 NE ARG A 45 4.903 6.433 3.036 1.00 0.00 N ATOM 478 CZ ARG A 45 4.483 7.452 3.759 1.00 0.00 C ATOM 479 NH1 ARG A 45 3.539 7.342 4.651 1.00 0.00 N ATOM 480 NH2 ARG A 45 5.019 8.619 3.581 1.00 0.00 N ATOM 0 H ARG A 45 6.481 4.021 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 45 8.156 2.688 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.748 3.621 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.051 4.852 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.820 4.600 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.510 3.181 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.365 5.002 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.749 4.631 4.106 1.00 0.00 H new ATOM 0 HE ARG A 45 5.614 6.635 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.093 6.439 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.246 8.159 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.757 8.741 2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.703 9.415 4.134 1.00 0.00 H new ATOM 494 N ASP A 46 6.149 0.850 0.225 1.00 0.00 N ATOM 495 CA ASP A 46 5.803 -0.546 0.146 1.00 0.00 C ATOM 496 C ASP A 46 7.040 -1.426 0.224 1.00 0.00 C ATOM 497 O ASP A 46 6.992 -2.558 0.707 1.00 0.00 O ATOM 498 CB ASP A 46 5.074 -0.858 -1.159 1.00 0.00 C ATOM 499 CG ASP A 46 5.831 -0.464 -2.431 1.00 0.00 C ATOM 500 OD1 ASP A 46 6.273 0.708 -2.540 1.00 0.00 O ATOM 501 OD2 ASP A 46 5.957 -1.319 -3.332 1.00 0.00 O ATOM 0 H ASP A 46 6.115 1.328 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 46 5.150 -0.756 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.865 -1.927 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.112 -0.345 -1.152 1.00 0.00 H new ATOM 506 N GLU A 47 8.158 -0.893 -0.258 1.00 0.00 N ATOM 507 CA GLU A 47 9.424 -1.601 -0.212 1.00 0.00 C ATOM 508 C GLU A 47 10.083 -1.542 1.162 1.00 0.00 C ATOM 509 O GLU A 47 10.802 -2.458 1.568 1.00 0.00 O ATOM 510 CB GLU A 47 10.367 -0.976 -1.232 1.00 0.00 C ATOM 511 CG GLU A 47 9.925 -1.327 -2.642 1.00 0.00 C ATOM 512 CD GLU A 47 10.468 -2.703 -3.037 1.00 0.00 C ATOM 513 OE1 GLU A 47 11.661 -2.804 -3.399 1.00 0.00 O ATOM 514 OE2 GLU A 47 9.696 -3.692 -2.968 1.00 0.00 O ATOM 0 H GLU A 47 8.209 0.031 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 47 9.224 -2.649 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.383 0.107 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.384 -1.331 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.837 -1.326 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.282 -0.572 -3.342 1.00 0.00 H new ATOM 521 N TRP A 48 9.865 -0.422 1.848 1.00 0.00 N ATOM 522 CA TRP A 48 10.663 0.026 2.979 1.00 0.00 C ATOM 523 C TRP A 48 10.617 -0.942 4.153 1.00 0.00 C ATOM 524 O TRP A 48 9.610 -1.123 4.844 1.00 0.00 O ATOM 525 CB TRP A 48 10.268 1.416 3.450 1.00 0.00 C ATOM 526 CG TRP A 48 10.437 2.574 2.520 1.00 0.00 C ATOM 527 CD1 TRP A 48 10.839 2.572 1.228 1.00 0.00 C ATOM 528 CD2 TRP A 48 10.104 3.950 2.831 1.00 0.00 C ATOM 529 NE1 TRP A 48 10.671 3.839 0.696 1.00 0.00 N ATOM 530 CE2 TRP A 48 10.233 4.740 1.654 1.00 0.00 C ATOM 531 CE3 TRP A 48 9.641 4.569 4.005 1.00 0.00 C ATOM 532 CZ2 TRP A 48 9.897 6.104 1.650 1.00 0.00 C ATOM 533 CZ3 TRP A 48 9.334 5.942 4.020 1.00 0.00 C ATOM 534 CH2 TRP A 48 9.463 6.707 2.845 1.00 0.00 C ATOM 0 H TRP A 48 9.103 0.217 1.622 1.00 0.00 H new ATOM 0 HA TRP A 48 11.687 0.062 2.608 1.00 0.00 H new ATOM 0 HB2 TRP A 48 9.218 1.378 3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 48 10.841 1.632 4.352 1.00 0.00 H new ATOM 0 HD1 TRP A 48 11.229 1.717 0.696 1.00 0.00 H new ATOM 0 HE1 TRP A 48 10.848 4.080 -0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.520 3.985 4.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 9.971 6.683 0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 8.999 6.410 4.934 1.00 0.00 H new ATOM 0 HH2 TRP A 48 9.228 7.761 2.861 1.00 0.00 H new ATOM 545 N GLY A 49 11.765 -1.568 4.345 1.00 0.00 N ATOM 546 CA GLY A 49 12.039 -2.543 5.391 1.00 0.00 C ATOM 547 C GLY A 49 11.401 -3.919 5.157 1.00 0.00 C ATOM 548 O GLY A 49 11.604 -4.811 5.981 1.00 0.00 O ATOM 0 H GLY A 49 12.574 -1.403 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.118 -2.667 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.682 -2.148 6.342 1.00 0.00 H new ATOM 552 N CYS A 50 10.650 -4.111 4.056 1.00 0.00 N ATOM 553 CA CYS A 50 9.946 -5.336 3.667 1.00 0.00 C ATOM 554 C CYS A 50 9.169 -6.045 4.812 1.00 0.00 C ATOM 555 O CYS A 50 8.987 -7.266 4.815 1.00 0.00 O ATOM 556 CB CYS A 50 11.024 -6.160 2.947 1.00 0.00 C ATOM 557 SG CYS A 50 10.655 -7.780 2.219 1.00 0.00 S ATOM 0 H CYS A 50 10.514 -3.364 3.375 1.00 0.00 H new ATOM 0 HA CYS A 50 9.101 -5.142 3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.416 -5.535 2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.835 -6.311 3.659 1.00 0.00 H new ATOM 562 N GLY A 51 8.699 -5.262 5.794 1.00 0.00 N ATOM 563 CA GLY A 51 7.997 -5.703 7.014 1.00 0.00 C ATOM 564 C GLY A 51 6.569 -6.193 6.766 1.00 0.00 C ATOM 565 O GLY A 51 5.757 -5.404 6.235 1.00 0.00 O ATOM 0 H GLY A 51 8.803 -4.248 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.569 -6.504 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.969 -4.876 7.724 1.00 0.00 H new TER 569 GLY A 51