USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 318 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 4:sc= 0.513 USER MOD Single : A 28 SER OG : rot 180:sc= 0.429 USER MOD Single : A 32 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.338 7.247 -3.085 1.00 0.00 N ATOM 2 CA SER A 1 10.409 7.053 -1.624 1.00 0.00 C ATOM 3 C SER A 1 9.124 6.414 -1.108 1.00 0.00 C ATOM 4 O SER A 1 8.023 6.887 -1.395 1.00 0.00 O ATOM 5 CB SER A 1 10.635 8.417 -0.963 1.00 0.00 C ATOM 6 OG SER A 1 10.713 8.301 0.450 1.00 0.00 O ATOM 0 H1 SER A 1 11.221 7.683 -3.421 1.00 0.00 H new ATOM 0 H2 SER A 1 10.207 6.327 -3.551 1.00 0.00 H new ATOM 0 H3 SER A 1 9.536 7.868 -3.314 1.00 0.00 H new ATOM 0 HA SER A 1 11.234 6.384 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.555 8.860 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.822 9.092 -1.230 1.00 0.00 H new ATOM 0 HG SER A 1 10.859 9.187 0.843 1.00 0.00 H new ATOM 14 N PHE A 2 9.271 5.333 -0.354 1.00 0.00 N ATOM 15 CA PHE A 2 8.125 4.619 0.194 1.00 0.00 C ATOM 16 C PHE A 2 7.415 5.448 1.261 1.00 0.00 C ATOM 17 O PHE A 2 6.233 5.250 1.513 1.00 0.00 O ATOM 18 CB PHE A 2 8.553 3.255 0.758 1.00 0.00 C ATOM 19 CG PHE A 2 9.504 3.317 1.927 1.00 0.00 C ATOM 20 CD1 PHE A 2 9.035 3.538 3.215 1.00 0.00 C ATOM 21 CD2 PHE A 2 10.865 3.149 1.738 1.00 0.00 C ATOM 22 CE1 PHE A 2 9.905 3.591 4.286 1.00 0.00 C ATOM 23 CE2 PHE A 2 11.741 3.202 2.805 1.00 0.00 C ATOM 24 CZ PHE A 2 11.260 3.422 4.081 1.00 0.00 C ATOM 0 H PHE A 2 10.175 4.930 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 2 7.419 4.448 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 2 7.660 2.709 1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.020 2.679 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.976 3.670 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 2 11.247 2.974 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 2 9.526 3.764 5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 2 12.801 3.072 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 2 11.943 3.462 4.917 1.00 0.00 H new ATOM 34 N GLY A 3 8.153 6.362 1.889 1.00 0.00 N ATOM 35 CA GLY A 3 7.595 7.204 2.941 1.00 0.00 C ATOM 36 C GLY A 3 6.316 7.921 2.539 1.00 0.00 C ATOM 37 O GLY A 3 5.365 7.984 3.319 1.00 0.00 O ATOM 0 H GLY A 3 9.137 6.537 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 3 7.395 6.589 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.339 7.945 3.234 1.00 0.00 H new ATOM 41 N LEU A 4 6.288 8.464 1.330 1.00 0.00 N ATOM 42 CA LEU A 4 5.115 9.182 0.846 1.00 0.00 C ATOM 43 C LEU A 4 3.921 8.245 0.680 1.00 0.00 C ATOM 44 O LEU A 4 2.815 8.544 1.124 1.00 0.00 O ATOM 45 CB LEU A 4 5.411 9.880 -0.490 1.00 0.00 C ATOM 46 CG LEU A 4 6.311 11.122 -0.417 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.813 12.088 0.647 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.760 10.737 -0.160 1.00 0.00 C ATOM 0 H LEU A 4 7.062 8.422 0.667 1.00 0.00 H new ATOM 0 HA LEU A 4 4.866 9.935 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.877 9.157 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.463 10.169 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 4 6.265 11.624 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.466 12.960 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.798 12.404 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.818 11.593 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.373 11.637 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.832 10.200 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.115 10.097 -0.968 1.00 0.00 H new ATOM 60 N CYS A 5 4.150 7.119 0.035 1.00 0.00 N ATOM 61 CA CYS A 5 3.096 6.142 -0.209 1.00 0.00 C ATOM 62 C CYS A 5 2.659 5.448 1.087 1.00 0.00 C ATOM 63 O CYS A 5 1.500 5.063 1.237 1.00 0.00 O ATOM 64 CB CYS A 5 3.590 5.109 -1.225 1.00 0.00 C ATOM 65 SG CYS A 5 2.312 4.521 -2.383 1.00 0.00 S ATOM 0 H CYS A 5 5.063 6.852 -0.334 1.00 0.00 H new ATOM 0 HA CYS A 5 2.226 6.664 -0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.409 5.544 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.996 4.253 -0.686 1.00 0.00 H new ATOM 70 N ARG A 6 3.608 5.270 2.002 1.00 0.00 N ATOM 71 CA ARG A 6 3.367 4.591 3.276 1.00 0.00 C ATOM 72 C ARG A 6 2.217 5.191 4.091 1.00 0.00 C ATOM 73 O ARG A 6 1.485 4.456 4.755 1.00 0.00 O ATOM 74 CB ARG A 6 4.645 4.583 4.126 1.00 0.00 C ATOM 75 CG ARG A 6 4.478 3.852 5.448 1.00 0.00 C ATOM 76 CD ARG A 6 5.776 3.776 6.237 1.00 0.00 C ATOM 77 NE ARG A 6 5.577 3.121 7.532 1.00 0.00 N ATOM 78 CZ ARG A 6 4.864 3.646 8.531 1.00 0.00 C ATOM 79 NH1 ARG A 6 4.406 4.889 8.445 1.00 0.00 N ATOM 80 NH2 ARG A 6 4.634 2.939 9.629 1.00 0.00 N ATOM 0 H ARG A 6 4.568 5.592 1.883 1.00 0.00 H new ATOM 0 HA ARG A 6 3.072 3.574 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.449 4.115 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.950 5.611 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.721 4.359 6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.112 2.843 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.522 3.228 5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.168 4.781 6.392 1.00 0.00 H new ATOM 0 HE ARG A 6 6.009 2.209 7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.598 5.447 7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.862 5.286 9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.002 1.991 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.089 3.343 10.391 1.00 0.00 H new ATOM 94 N LEU A 7 2.066 6.510 4.083 1.00 0.00 N ATOM 95 CA LEU A 7 1.003 7.123 4.875 1.00 0.00 C ATOM 96 C LEU A 7 0.502 8.433 4.280 1.00 0.00 C ATOM 97 O LEU A 7 -0.679 8.763 4.408 1.00 0.00 O ATOM 98 CB LEU A 7 1.458 7.348 6.328 1.00 0.00 C ATOM 99 CG LEU A 7 2.639 8.307 6.534 1.00 0.00 C ATOM 100 CD1 LEU A 7 2.669 8.798 7.970 1.00 0.00 C ATOM 101 CD2 LEU A 7 3.959 7.632 6.196 1.00 0.00 C ATOM 0 H LEU A 7 2.646 7.161 3.554 1.00 0.00 H new ATOM 0 HA LEU A 7 0.170 6.420 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.608 7.725 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.724 6.382 6.756 1.00 0.00 H new ATOM 0 HG LEU A 7 2.504 9.155 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.511 9.477 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.740 9.322 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.778 7.948 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.777 8.335 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.099 6.764 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.948 7.312 5.154 1.00 0.00 H new ATOM 113 N ARG A 8 1.388 9.183 3.641 1.00 0.00 N ATOM 114 CA ARG A 8 1.009 10.459 3.045 1.00 0.00 C ATOM 115 C ARG A 8 -0.041 10.267 1.951 1.00 0.00 C ATOM 116 O ARG A 8 -0.851 11.159 1.700 1.00 0.00 O ATOM 117 CB ARG A 8 2.235 11.187 2.492 1.00 0.00 C ATOM 118 CG ARG A 8 3.300 11.465 3.537 1.00 0.00 C ATOM 119 CD ARG A 8 2.751 12.298 4.680 1.00 0.00 C ATOM 120 NE ARG A 8 2.472 13.679 4.285 1.00 0.00 N ATOM 121 CZ ARG A 8 1.994 14.610 5.116 1.00 0.00 C ATOM 122 NH1 ARG A 8 1.702 14.301 6.372 1.00 0.00 N ATOM 123 NH2 ARG A 8 1.801 15.849 4.686 1.00 0.00 N ATOM 0 H ARG A 8 2.370 8.933 3.521 1.00 0.00 H new ATOM 0 HA ARG A 8 0.569 11.075 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.671 10.590 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.917 12.131 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.686 10.522 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.138 11.987 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.836 11.838 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.466 12.296 5.502 1.00 0.00 H new ATOM 0 HE ARG A 8 2.653 13.947 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.842 13.348 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.337 15.016 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.017 16.093 3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.436 16.558 5.322 1.00 0.00 H new ATOM 137 N ARG A 9 -0.030 9.100 1.304 1.00 0.00 N ATOM 138 CA ARG A 9 -0.994 8.812 0.245 1.00 0.00 C ATOM 139 C ARG A 9 -1.472 7.362 0.280 1.00 0.00 C ATOM 140 O ARG A 9 -1.739 6.765 -0.765 1.00 0.00 O ATOM 141 CB ARG A 9 -0.399 9.119 -1.134 1.00 0.00 C ATOM 142 CG ARG A 9 -0.297 10.603 -1.442 1.00 0.00 C ATOM 143 CD ARG A 9 0.117 10.865 -2.884 1.00 0.00 C ATOM 144 NE ARG A 9 1.492 10.444 -3.166 1.00 0.00 N ATOM 145 CZ ARG A 9 1.828 9.287 -3.738 1.00 0.00 C ATOM 146 NH1 ARG A 9 0.894 8.423 -4.111 1.00 0.00 N ATOM 147 NH2 ARG A 9 3.108 9.001 -3.947 1.00 0.00 N ATOM 0 H ARG A 9 0.630 8.346 1.494 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.854 9.458 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.595 8.675 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.011 8.640 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.259 11.079 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.427 11.063 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.564 10.339 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.017 11.929 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 9 2.245 11.081 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.091 8.641 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.161 7.541 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.831 9.665 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.368 8.117 -4.384 1.00 0.00 H new ATOM 161 N GLY A 10 -1.610 6.799 1.475 1.00 0.00 N ATOM 162 CA GLY A 10 -2.084 5.431 1.584 1.00 0.00 C ATOM 163 C GLY A 10 -1.553 4.718 2.808 1.00 0.00 C ATOM 164 O GLY A 10 -1.373 5.334 3.863 1.00 0.00 O ATOM 0 H GLY A 10 -1.405 7.259 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.174 5.431 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.790 4.878 0.692 1.00 0.00 H new ATOM 168 N PHE A 11 -1.291 3.425 2.660 1.00 0.00 N ATOM 169 CA PHE A 11 -0.760 2.612 3.742 1.00 0.00 C ATOM 170 C PHE A 11 -0.103 1.361 3.173 1.00 0.00 C ATOM 171 O PHE A 11 -0.498 0.862 2.118 1.00 0.00 O ATOM 172 CB PHE A 11 -1.851 2.254 4.773 1.00 0.00 C ATOM 173 CG PHE A 11 -2.931 1.319 4.295 1.00 0.00 C ATOM 174 CD1 PHE A 11 -2.705 -0.048 4.214 1.00 0.00 C ATOM 175 CD2 PHE A 11 -4.180 1.807 3.950 1.00 0.00 C ATOM 176 CE1 PHE A 11 -3.703 -0.906 3.798 1.00 0.00 C ATOM 177 CE2 PHE A 11 -5.181 0.953 3.530 1.00 0.00 C ATOM 178 CZ PHE A 11 -4.943 -0.405 3.456 1.00 0.00 C ATOM 0 H PHE A 11 -1.441 2.914 1.790 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.005 3.194 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.369 1.806 5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.321 3.178 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.736 -0.445 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.374 2.868 4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.514 -1.968 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.149 1.347 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.726 -1.074 3.131 1.00 0.00 H new ATOM 188 N CYS A 12 0.920 0.880 3.852 1.00 0.00 N ATOM 189 CA CYS A 12 1.653 -0.289 3.401 1.00 0.00 C ATOM 190 C CYS A 12 1.032 -1.583 3.917 1.00 0.00 C ATOM 191 O CYS A 12 0.576 -1.659 5.062 1.00 0.00 O ATOM 192 CB CYS A 12 3.107 -0.192 3.848 1.00 0.00 C ATOM 193 SG CYS A 12 3.957 1.313 3.277 1.00 0.00 S ATOM 0 H CYS A 12 1.265 1.283 4.723 1.00 0.00 H new ATOM 0 HA CYS A 12 1.605 -0.313 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.145 -0.228 4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.648 -1.064 3.481 1.00 0.00 H new ATOM 198 N ALA A 13 1.041 -2.602 3.068 1.00 0.00 N ATOM 199 CA ALA A 13 0.512 -3.913 3.409 1.00 0.00 C ATOM 200 C ALA A 13 1.500 -4.978 2.951 1.00 0.00 C ATOM 201 O ALA A 13 2.018 -4.909 1.838 1.00 0.00 O ATOM 202 CB ALA A 13 -0.849 -4.124 2.766 1.00 0.00 C ATOM 0 H ALA A 13 1.417 -2.541 2.122 1.00 0.00 H new ATOM 0 HA ALA A 13 0.380 -3.985 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.228 -5.110 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.541 -3.361 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.755 -4.052 1.682 1.00 0.00 H new ATOM 208 N ARG A 14 1.795 -5.938 3.813 1.00 0.00 N ATOM 209 CA ARG A 14 2.759 -6.976 3.475 1.00 0.00 C ATOM 210 C ARG A 14 2.129 -8.102 2.656 1.00 0.00 C ATOM 211 O ARG A 14 1.255 -8.825 3.139 1.00 0.00 O ATOM 212 CB ARG A 14 3.400 -7.544 4.744 1.00 0.00 C ATOM 213 CG ARG A 14 4.585 -8.455 4.463 1.00 0.00 C ATOM 214 CD ARG A 14 5.154 -9.052 5.740 1.00 0.00 C ATOM 215 NE ARG A 14 6.244 -9.987 5.463 1.00 0.00 N ATOM 216 CZ ARG A 14 7.508 -9.630 5.221 1.00 0.00 C ATOM 217 NH1 ARG A 14 7.901 -8.371 5.396 1.00 0.00 N ATOM 218 NH2 ARG A 14 8.388 -10.547 4.846 1.00 0.00 N ATOM 0 H ARG A 14 1.386 -6.021 4.744 1.00 0.00 H new ATOM 0 HA ARG A 14 3.529 -6.512 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.727 -6.720 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.648 -8.099 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.276 -9.257 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.363 -7.891 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.516 -8.252 6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.363 -9.567 6.285 1.00 0.00 H new ATOM 0 HE ARG A 14 6.023 -10.983 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.235 -7.669 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.869 -8.108 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.099 -11.520 4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.355 -10.280 4.660 1.00 0.00 H new ATOM 232 N GLY A 15 2.607 -8.252 1.423 1.00 0.00 N ATOM 233 CA GLY A 15 2.128 -9.296 0.532 1.00 0.00 C ATOM 234 C GLY A 15 0.727 -9.056 0.000 1.00 0.00 C ATOM 235 O GLY A 15 0.541 -8.842 -1.196 1.00 0.00 O ATOM 0 H GLY A 15 3.331 -7.657 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.815 -9.385 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.147 -10.249 1.061 1.00 0.00 H new ATOM 239 N ARG A 16 -0.258 -9.112 0.885 1.00 0.00 N ATOM 240 CA ARG A 16 -1.645 -8.918 0.504 1.00 0.00 C ATOM 241 C ARG A 16 -2.197 -7.645 1.119 1.00 0.00 C ATOM 242 O ARG A 16 -2.009 -7.391 2.309 1.00 0.00 O ATOM 243 CB ARG A 16 -2.509 -10.101 0.958 1.00 0.00 C ATOM 244 CG ARG A 16 -2.071 -11.449 0.411 1.00 0.00 C ATOM 245 CD ARG A 16 -0.900 -12.031 1.185 1.00 0.00 C ATOM 246 NE ARG A 16 -1.165 -12.109 2.621 1.00 0.00 N ATOM 247 CZ ARG A 16 -0.307 -12.607 3.506 1.00 0.00 C ATOM 248 NH1 ARG A 16 0.836 -13.142 3.091 1.00 0.00 N ATOM 249 NH2 ARG A 16 -0.604 -12.595 4.801 1.00 0.00 N ATOM 0 H ARG A 16 -0.118 -9.292 1.879 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.677 -8.843 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.499 -10.145 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.540 -9.918 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.910 -12.144 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.793 -11.341 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.676 -13.028 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.015 -11.418 1.014 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.060 -11.761 2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.054 -13.170 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.496 -13.525 3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.491 -12.203 5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.055 -12.977 5.479 1.00 0.00 H new ATOM 263 N CYS A 17 -2.893 -6.864 0.317 1.00 0.00 N ATOM 264 CA CYS A 17 -3.497 -5.632 0.793 1.00 0.00 C ATOM 265 C CYS A 17 -4.810 -5.939 1.492 1.00 0.00 C ATOM 266 O CYS A 17 -5.374 -7.024 1.321 1.00 0.00 O ATOM 267 CB CYS A 17 -3.756 -4.669 -0.366 1.00 0.00 C ATOM 268 SG CYS A 17 -2.343 -4.457 -1.490 1.00 0.00 S ATOM 0 H CYS A 17 -3.056 -7.060 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.806 -5.162 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.610 -5.029 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.032 -3.696 0.040 1.00 0.00 H new ATOM 273 N ARG A 18 -5.316 -4.982 2.250 1.00 0.00 N ATOM 274 CA ARG A 18 -6.588 -5.146 2.931 1.00 0.00 C ATOM 275 C ARG A 18 -7.706 -5.165 1.894 1.00 0.00 C ATOM 276 O ARG A 18 -7.473 -4.831 0.729 1.00 0.00 O ATOM 277 CB ARG A 18 -6.812 -4.014 3.937 1.00 0.00 C ATOM 278 CG ARG A 18 -5.812 -4.003 5.083 1.00 0.00 C ATOM 279 CD ARG A 18 -5.779 -5.342 5.802 1.00 0.00 C ATOM 280 NE ARG A 18 -7.106 -5.760 6.249 1.00 0.00 N ATOM 281 CZ ARG A 18 -7.360 -6.916 6.857 1.00 0.00 C ATOM 282 NH1 ARG A 18 -6.379 -7.774 7.112 1.00 0.00 N ATOM 283 NH2 ARG A 18 -8.601 -7.211 7.218 1.00 0.00 N ATOM 0 H ARG A 18 -4.864 -4.081 2.410 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.584 -6.087 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.760 -3.060 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.819 -4.099 4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.819 -3.770 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.074 -3.215 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.366 -6.100 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.112 -5.275 6.662 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.887 -5.125 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.422 -7.549 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.583 -8.658 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.357 -6.553 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.800 -8.096 7.684 1.00 0.00 H new ATOM 297 N PHE A 19 -8.903 -5.556 2.302 1.00 0.00 N ATOM 298 CA PHE A 19 -10.038 -5.617 1.384 1.00 0.00 C ATOM 299 C PHE A 19 -10.216 -4.304 0.600 1.00 0.00 C ATOM 300 O PHE A 19 -10.235 -4.322 -0.630 1.00 0.00 O ATOM 301 CB PHE A 19 -11.325 -5.969 2.140 1.00 0.00 C ATOM 302 CG PHE A 19 -12.564 -5.914 1.290 1.00 0.00 C ATOM 303 CD1 PHE A 19 -12.692 -6.721 0.171 1.00 0.00 C ATOM 304 CD2 PHE A 19 -13.597 -5.050 1.611 1.00 0.00 C ATOM 305 CE1 PHE A 19 -13.830 -6.666 -0.609 1.00 0.00 C ATOM 306 CE2 PHE A 19 -14.736 -4.990 0.835 1.00 0.00 C ATOM 307 CZ PHE A 19 -14.854 -5.800 -0.277 1.00 0.00 C ATOM 0 H PHE A 19 -9.117 -5.836 3.259 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.827 -6.404 0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.227 -6.971 2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.441 -5.283 2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.894 -7.399 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -13.510 -4.415 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.920 -7.300 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.534 -4.311 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.745 -5.757 -0.886 1.00 0.00 H new ATOM 317 N PRO A 20 -10.347 -3.144 1.278 1.00 0.00 N ATOM 318 CA PRO A 20 -10.524 -1.863 0.600 1.00 0.00 C ATOM 319 C PRO A 20 -9.205 -1.168 0.254 1.00 0.00 C ATOM 320 O PRO A 20 -9.011 0.002 0.582 1.00 0.00 O ATOM 321 CB PRO A 20 -11.296 -1.059 1.638 1.00 0.00 C ATOM 322 CG PRO A 20 -10.755 -1.529 2.945 1.00 0.00 C ATOM 323 CD PRO A 20 -10.344 -2.969 2.747 1.00 0.00 C ATOM 0 HA PRO A 20 -11.023 -1.973 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.143 0.012 1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.368 -1.239 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.904 -0.922 3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.508 -1.445 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.359 -3.165 3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.041 -3.653 3.232 1.00 0.00 H new ATOM 331 N SER A 21 -8.302 -1.877 -0.408 1.00 0.00 N ATOM 332 CA SER A 21 -7.022 -1.301 -0.784 1.00 0.00 C ATOM 333 C SER A 21 -6.406 -2.029 -1.969 1.00 0.00 C ATOM 334 O SER A 21 -6.536 -3.248 -2.101 1.00 0.00 O ATOM 335 CB SER A 21 -6.065 -1.338 0.401 1.00 0.00 C ATOM 336 OG SER A 21 -6.056 -2.608 1.016 1.00 0.00 O ATOM 0 H SER A 21 -8.432 -2.847 -0.694 1.00 0.00 H new ATOM 0 HA SER A 21 -7.197 -0.267 -1.080 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.059 -1.087 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.356 -0.581 1.130 1.00 0.00 H new ATOM 0 HG SER A 21 -6.628 -3.221 0.509 1.00 0.00 H new ATOM 342 N ILE A 22 -5.727 -1.273 -2.820 1.00 0.00 N ATOM 343 CA ILE A 22 -5.072 -1.834 -3.992 1.00 0.00 C ATOM 344 C ILE A 22 -3.590 -1.471 -3.995 1.00 0.00 C ATOM 345 O ILE A 22 -3.211 -0.371 -3.583 1.00 0.00 O ATOM 346 CB ILE A 22 -5.727 -1.363 -5.306 1.00 0.00 C ATOM 347 CG1 ILE A 22 -5.803 0.166 -5.360 1.00 0.00 C ATOM 348 CG2 ILE A 22 -7.111 -1.978 -5.453 1.00 0.00 C ATOM 349 CD1 ILE A 22 -6.375 0.700 -6.655 1.00 0.00 C ATOM 0 H ILE A 22 -5.615 -0.264 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.184 -2.917 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.109 -1.697 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.414 0.520 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.803 0.576 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.563 -1.638 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.027 -3.065 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.736 -1.673 -4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.398 1.789 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.752 0.376 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.388 0.320 -6.790 1.00 0.00 H new ATOM 361 N PRO A 23 -2.735 -2.402 -4.440 1.00 0.00 N ATOM 362 CA PRO A 23 -1.283 -2.205 -4.483 1.00 0.00 C ATOM 363 C PRO A 23 -0.839 -1.247 -5.588 1.00 0.00 C ATOM 364 O PRO A 23 -0.234 -1.661 -6.584 1.00 0.00 O ATOM 365 CB PRO A 23 -0.736 -3.609 -4.733 1.00 0.00 C ATOM 366 CG PRO A 23 -1.841 -4.355 -5.395 1.00 0.00 C ATOM 367 CD PRO A 23 -3.128 -3.737 -4.925 1.00 0.00 C ATOM 0 HA PRO A 23 -0.917 -1.748 -3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.151 -3.578 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.444 -4.088 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.755 -4.290 -6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.803 -5.413 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.855 -3.668 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.587 -4.329 -4.133 1.00 0.00 H new ATOM 375 N ILE A 24 -1.139 0.033 -5.401 1.00 0.00 N ATOM 376 CA ILE A 24 -0.773 1.062 -6.365 1.00 0.00 C ATOM 377 C ILE A 24 0.744 1.179 -6.487 1.00 0.00 C ATOM 378 O ILE A 24 1.273 1.428 -7.572 1.00 0.00 O ATOM 379 CB ILE A 24 -1.357 2.443 -5.987 1.00 0.00 C ATOM 380 CG1 ILE A 24 -0.904 2.858 -4.582 1.00 0.00 C ATOM 381 CG2 ILE A 24 -2.876 2.412 -6.073 1.00 0.00 C ATOM 382 CD1 ILE A 24 -1.230 4.292 -4.233 1.00 0.00 C ATOM 0 H ILE A 24 -1.639 0.384 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.196 0.757 -7.322 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.983 3.183 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.373 2.200 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.173 2.710 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.276 3.390 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.178 2.163 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.264 1.660 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.879 4.510 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.738 4.959 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.309 4.442 -4.282 1.00 0.00 H new ATOM 394 N GLY A 25 1.436 0.988 -5.371 1.00 0.00 N ATOM 395 CA GLY A 25 2.881 1.068 -5.367 1.00 0.00 C ATOM 396 C GLY A 25 3.504 -0.004 -4.500 1.00 0.00 C ATOM 397 O GLY A 25 2.949 -1.095 -4.363 1.00 0.00 O ATOM 0 H GLY A 25 1.018 0.778 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.253 0.971 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.189 2.050 -5.008 1.00 0.00 H new ATOM 401 N ARG A 26 4.651 0.294 -3.907 1.00 0.00 N ATOM 402 CA ARG A 26 5.334 -0.673 -3.062 1.00 0.00 C ATOM 403 C ARG A 26 6.232 0.032 -2.050 1.00 0.00 C ATOM 404 O ARG A 26 6.927 0.991 -2.384 1.00 0.00 O ATOM 405 CB ARG A 26 6.151 -1.614 -3.942 1.00 0.00 C ATOM 406 CG ARG A 26 6.605 -2.885 -3.253 1.00 0.00 C ATOM 407 CD ARG A 26 7.343 -3.815 -4.214 1.00 0.00 C ATOM 408 NE ARG A 26 8.560 -3.206 -4.761 1.00 0.00 N ATOM 409 CZ ARG A 26 8.602 -2.450 -5.865 1.00 0.00 C ATOM 410 NH1 ARG A 26 7.510 -2.275 -6.604 1.00 0.00 N ATOM 411 NH2 ARG A 26 9.743 -1.889 -6.236 1.00 0.00 N ATOM 0 H ARG A 26 5.126 1.193 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 26 4.595 -1.249 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.556 -1.882 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.029 -1.080 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.258 -2.633 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.740 -3.403 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.604 -4.737 -3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.678 -4.088 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 26 9.436 -3.370 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.633 -2.718 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.550 -1.698 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.587 -2.034 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.778 -1.312 -7.077 1.00 0.00 H new ATOM 425 N CYS A 27 6.194 -0.436 -0.809 1.00 0.00 N ATOM 426 CA CYS A 27 6.985 0.160 0.261 1.00 0.00 C ATOM 427 C CYS A 27 8.287 -0.602 0.499 1.00 0.00 C ATOM 428 O CYS A 27 9.309 -0.009 0.845 1.00 0.00 O ATOM 429 CB CYS A 27 6.175 0.194 1.555 1.00 0.00 C ATOM 430 SG CYS A 27 4.502 0.888 1.370 1.00 0.00 S ATOM 0 H CYS A 27 5.622 -1.229 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 27 7.238 1.174 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.094 -0.820 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.719 0.780 2.296 1.00 0.00 H new ATOM 435 N SER A 28 8.244 -1.915 0.339 1.00 0.00 N ATOM 436 CA SER A 28 9.418 -2.742 0.562 1.00 0.00 C ATOM 437 C SER A 28 9.511 -3.817 -0.522 1.00 0.00 C ATOM 438 O SER A 28 9.127 -3.578 -1.664 1.00 0.00 O ATOM 439 CB SER A 28 9.330 -3.365 1.963 1.00 0.00 C ATOM 440 OG SER A 28 10.539 -4.004 2.343 1.00 0.00 O ATOM 0 H SER A 28 7.410 -2.430 0.056 1.00 0.00 H new ATOM 0 HA SER A 28 10.322 -2.136 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.087 -2.589 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.516 -4.089 1.986 1.00 0.00 H new ATOM 0 HG SER A 28 10.440 -4.385 3.241 1.00 0.00 H new ATOM 446 N ARG A 29 10.018 -4.990 -0.175 1.00 0.00 N ATOM 447 CA ARG A 29 10.145 -6.071 -1.142 1.00 0.00 C ATOM 448 C ARG A 29 8.808 -6.789 -1.302 1.00 0.00 C ATOM 449 O ARG A 29 8.299 -6.945 -2.413 1.00 0.00 O ATOM 450 CB ARG A 29 11.228 -7.057 -0.699 1.00 0.00 C ATOM 451 CG ARG A 29 11.669 -8.015 -1.795 1.00 0.00 C ATOM 452 CD ARG A 29 12.294 -7.269 -2.964 1.00 0.00 C ATOM 453 NE ARG A 29 13.423 -6.440 -2.545 1.00 0.00 N ATOM 454 CZ ARG A 29 14.140 -5.677 -3.371 1.00 0.00 C ATOM 455 NH1 ARG A 29 13.848 -5.622 -4.668 1.00 0.00 N ATOM 456 NH2 ARG A 29 15.145 -4.958 -2.893 1.00 0.00 N ATOM 0 H ARG A 29 10.347 -5.218 0.763 1.00 0.00 H new ATOM 0 HA ARG A 29 10.435 -5.649 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.095 -6.497 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.857 -7.634 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.387 -8.728 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.812 -8.590 -2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.629 -7.986 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.540 -6.641 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 29 13.679 -6.446 -1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.069 -6.167 -5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.403 -5.035 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.367 -4.990 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.697 -4.373 -3.520 1.00 0.00 H new ATOM 470 N PHE A 30 8.244 -7.208 -0.178 1.00 0.00 N ATOM 471 CA PHE A 30 6.960 -7.897 -0.163 1.00 0.00 C ATOM 472 C PHE A 30 5.853 -6.910 0.177 1.00 0.00 C ATOM 473 O PHE A 30 4.722 -7.033 -0.290 1.00 0.00 O ATOM 474 CB PHE A 30 6.958 -9.039 0.863 1.00 0.00 C ATOM 475 CG PHE A 30 7.822 -10.215 0.493 1.00 0.00 C ATOM 476 CD1 PHE A 30 9.179 -10.060 0.255 1.00 0.00 C ATOM 477 CD2 PHE A 30 7.269 -11.481 0.388 1.00 0.00 C ATOM 478 CE1 PHE A 30 9.966 -11.144 -0.081 1.00 0.00 C ATOM 479 CE2 PHE A 30 8.051 -12.568 0.053 1.00 0.00 C ATOM 480 CZ PHE A 30 9.401 -12.400 -0.182 1.00 0.00 C ATOM 0 H PHE A 30 8.660 -7.081 0.745 1.00 0.00 H new ATOM 0 HA PHE A 30 6.789 -8.321 -1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.292 -8.647 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.934 -9.386 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.626 -9.080 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.214 -11.619 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.022 -11.010 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.607 -13.549 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.014 -13.249 -0.444 1.00 0.00 H new ATOM 490 N VAL A 31 6.196 -5.938 1.012 1.00 0.00 N ATOM 491 CA VAL A 31 5.250 -4.922 1.445 1.00 0.00 C ATOM 492 C VAL A 31 4.911 -3.964 0.308 1.00 0.00 C ATOM 493 O VAL A 31 5.766 -3.211 -0.166 1.00 0.00 O ATOM 494 CB VAL A 31 5.804 -4.125 2.642 1.00 0.00 C ATOM 495 CG1 VAL A 31 4.772 -3.139 3.162 1.00 0.00 C ATOM 496 CG2 VAL A 31 6.247 -5.072 3.746 1.00 0.00 C ATOM 0 H VAL A 31 7.131 -5.833 1.405 1.00 0.00 H new ATOM 0 HA VAL A 31 4.340 -5.438 1.753 1.00 0.00 H new ATOM 0 HB VAL A 31 6.670 -3.556 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.187 -2.589 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.505 -2.440 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.882 -3.680 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.636 -4.496 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.396 -5.667 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.027 -5.733 3.367 1.00 0.00 H new ATOM 506 N GLN A 32 3.659 -3.997 -0.112 1.00 0.00 N ATOM 507 CA GLN A 32 3.174 -3.144 -1.183 1.00 0.00 C ATOM 508 C GLN A 32 2.509 -1.901 -0.611 1.00 0.00 C ATOM 509 O GLN A 32 2.087 -1.893 0.546 1.00 0.00 O ATOM 510 CB GLN A 32 2.149 -3.893 -2.037 1.00 0.00 C ATOM 511 CG GLN A 32 2.595 -5.271 -2.489 1.00 0.00 C ATOM 512 CD GLN A 32 1.531 -5.973 -3.304 1.00 0.00 C ATOM 513 OE1 GLN A 32 0.447 -6.270 -2.808 1.00 0.00 O ATOM 514 NE2 GLN A 32 1.824 -6.233 -4.565 1.00 0.00 N ATOM 0 H GLN A 32 2.949 -4.616 0.280 1.00 0.00 H new ATOM 0 HA GLN A 32 4.028 -2.857 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.224 -3.992 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.919 -3.292 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.505 -5.181 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.842 -5.876 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.735 -5.971 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.139 -6.696 -5.163 1.00 0.00 H new ATOM 523 N CYS A 33 2.364 -0.878 -1.437 1.00 0.00 N ATOM 524 CA CYS A 33 1.682 0.330 -1.019 1.00 0.00 C ATOM 525 C CYS A 33 0.243 0.201 -1.457 1.00 0.00 C ATOM 526 O CYS A 33 -0.078 0.368 -2.637 1.00 0.00 O ATOM 527 CB CYS A 33 2.310 1.585 -1.623 1.00 0.00 C ATOM 528 SG CYS A 33 1.335 3.096 -1.327 1.00 0.00 S ATOM 0 H CYS A 33 2.709 -0.862 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 33 1.761 0.439 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.309 1.719 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.428 1.442 -2.697 1.00 0.00 H new ATOM 533 N CYS A 34 -0.613 -0.149 -0.526 1.00 0.00 N ATOM 534 CA CYS A 34 -2.005 -0.353 -0.834 1.00 0.00 C ATOM 535 C CYS A 34 -2.862 0.758 -0.268 1.00 0.00 C ATOM 536 O CYS A 34 -3.281 0.710 0.886 1.00 0.00 O ATOM 537 CB CYS A 34 -2.448 -1.692 -0.277 1.00 0.00 C ATOM 538 SG CYS A 34 -1.246 -3.033 -0.560 1.00 0.00 S ATOM 0 H CYS A 34 -0.367 -0.298 0.453 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.127 -0.345 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.622 -1.591 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.400 -1.967 -0.730 1.00 0.00 H new ATOM 543 N ARG A 35 -3.128 1.749 -1.088 1.00 0.00 N ATOM 544 CA ARG A 35 -3.951 2.872 -0.672 1.00 0.00 C ATOM 545 C ARG A 35 -5.396 2.419 -0.497 1.00 0.00 C ATOM 546 O ARG A 35 -5.885 1.566 -1.245 1.00 0.00 O ATOM 547 CB ARG A 35 -3.890 4.019 -1.688 1.00 0.00 C ATOM 548 CG ARG A 35 -4.711 3.774 -2.946 1.00 0.00 C ATOM 549 CD ARG A 35 -4.842 5.039 -3.776 1.00 0.00 C ATOM 550 NE ARG A 35 -5.759 4.865 -4.899 1.00 0.00 N ATOM 551 CZ ARG A 35 -6.040 5.819 -5.785 1.00 0.00 C ATOM 552 NH1 ARG A 35 -5.517 7.033 -5.647 1.00 0.00 N ATOM 553 NH2 ARG A 35 -6.863 5.565 -6.795 1.00 0.00 N ATOM 0 H ARG A 35 -2.788 1.804 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.562 3.239 0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.241 4.934 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.851 4.185 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.241 2.992 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.702 3.413 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.195 5.853 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.861 5.330 -4.151 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.212 3.958 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.899 7.236 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.734 7.762 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.280 4.639 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.078 6.296 -7.474 1.00 0.00 H new ATOM 567 N ARG A 36 -6.074 2.995 0.480 1.00 0.00 N ATOM 568 CA ARG A 36 -7.464 2.666 0.740 1.00 0.00 C ATOM 569 C ARG A 36 -8.334 3.201 -0.392 1.00 0.00 C ATOM 570 O ARG A 36 -8.222 4.369 -0.764 1.00 0.00 O ATOM 571 CB ARG A 36 -7.890 3.263 2.085 1.00 0.00 C ATOM 572 CG ARG A 36 -9.386 3.234 2.355 1.00 0.00 C ATOM 573 CD ARG A 36 -9.693 3.863 3.701 1.00 0.00 C ATOM 574 NE ARG A 36 -11.099 4.227 3.849 1.00 0.00 N ATOM 575 CZ ARG A 36 -11.601 4.797 4.946 1.00 0.00 C ATOM 576 NH1 ARG A 36 -10.808 5.078 5.977 1.00 0.00 N ATOM 577 NH2 ARG A 36 -12.889 5.103 5.006 1.00 0.00 N ATOM 0 H ARG A 36 -5.682 3.696 1.109 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.586 1.584 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.381 2.722 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.547 4.297 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.915 3.770 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.745 2.205 2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.418 3.167 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.077 4.753 3.830 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.732 4.035 3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.813 4.858 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.195 5.514 6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.498 4.903 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.271 5.539 5.845 1.00 0.00 H new ATOM 591 N VAL A 37 -9.192 2.346 -0.943 1.00 0.00 N ATOM 592 CA VAL A 37 -10.077 2.720 -2.033 1.00 0.00 C ATOM 593 C VAL A 37 -11.245 3.559 -1.545 1.00 0.00 C ATOM 594 O VAL A 37 -12.359 3.441 -2.055 1.00 0.00 O ATOM 595 CB VAL A 37 -10.594 1.467 -2.761 1.00 0.00 C ATOM 596 CG1 VAL A 37 -9.447 0.719 -3.423 1.00 0.00 C ATOM 597 CG2 VAL A 37 -11.350 0.550 -1.809 1.00 0.00 C ATOM 0 H VAL A 37 -9.290 1.376 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.499 3.326 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.288 1.794 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.834 -0.164 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.958 1.370 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.726 0.413 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.703 -0.327 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.687 0.235 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.202 1.084 -1.389 1.00 0.00 H new ATOM 607 N TRP A 38 -10.958 4.433 -0.586 1.00 0.00 N ATOM 608 CA TRP A 38 -11.943 5.339 -0.036 1.00 0.00 C ATOM 609 C TRP A 38 -13.126 4.572 0.571 1.00 0.00 C ATOM 610 O TRP A 38 -14.143 4.354 -0.124 1.00 0.00 O ATOM 611 CB TRP A 38 -12.366 6.307 -1.143 1.00 0.00 C ATOM 612 CG TRP A 38 -13.546 7.151 -0.828 1.00 0.00 C ATOM 613 CD1 TRP A 38 -14.662 7.247 -1.584 1.00 0.00 C ATOM 614 CD2 TRP A 38 -13.732 8.010 0.299 1.00 0.00 C ATOM 615 NE1 TRP A 38 -15.550 8.120 -1.003 1.00 0.00 N ATOM 616 CE2 TRP A 38 -15.001 8.602 0.159 1.00 0.00 C ATOM 617 CE3 TRP A 38 -12.953 8.338 1.413 1.00 0.00 C ATOM 618 CZ2 TRP A 38 -15.508 9.501 1.091 1.00 0.00 C ATOM 619 CZ3 TRP A 38 -13.458 9.231 2.337 1.00 0.00 C ATOM 620 CH2 TRP A 38 -14.725 9.802 2.172 1.00 0.00 C ATOM 621 OXT TRP A 38 -13.027 4.187 1.756 1.00 0.00 O ATOM 0 H TRP A 38 -10.031 4.528 -0.171 1.00 0.00 H new ATOM 0 HA TRP A 38 -11.517 5.912 0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.524 6.959 -1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.581 5.732 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -14.831 6.716 -2.509 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -16.467 8.369 -1.374 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -11.975 7.901 1.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -16.484 9.945 0.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -12.866 9.493 3.201 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -15.093 10.495 2.914 1.00 0.00 H new TER 632 TRP A 38