USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 284 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 5 GLN : amide:sc= 0.465 X(o=0.47,f=-0.012) USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.018 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.99) USER MOD Single : A 18 ASN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 19 TYR OH : rot 152:sc= 0 USER MOD Single : B 5 HIS : no HE2:sc= 0.776 K(o=0.78,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 2.879 1.752 -4.771 1.00 0.00 N ATOM 11 CA ILE A 2 3.877 1.008 -5.575 1.00 0.00 C ATOM 12 C ILE A 2 4.865 1.924 -6.314 1.00 0.00 C ATOM 13 O ILE A 2 6.048 1.611 -6.391 1.00 0.00 O ATOM 14 CB ILE A 2 3.177 0.002 -6.516 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.108 -1.032 -7.178 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.445 0.721 -7.658 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.008 -1.843 -6.253 1.00 0.00 C ATOM 0 HA ILE A 2 4.492 0.439 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 2 2.493 -0.526 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.492 -1.728 -7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.741 -0.508 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.963 -0.015 -8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.690 1.389 -7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.161 1.300 -8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.611 -2.532 -6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.663 -1.170 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.394 -2.408 -5.552 1.00 0.00 H new ATOM 29 N VAL A 3 4.424 3.091 -6.799 1.00 0.00 N ATOM 30 CA VAL A 3 5.285 4.089 -7.472 1.00 0.00 C ATOM 31 C VAL A 3 6.215 4.776 -6.462 1.00 0.00 C ATOM 32 O VAL A 3 7.407 4.961 -6.723 1.00 0.00 O ATOM 33 CB VAL A 3 4.405 5.107 -8.233 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.215 6.183 -8.963 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.551 4.405 -9.297 1.00 0.00 C ATOM 0 H VAL A 3 3.447 3.379 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 3 5.923 3.584 -8.198 1.00 0.00 H new ATOM 0 HB VAL A 3 3.791 5.576 -7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.536 6.864 -9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.812 6.741 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.874 5.711 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.941 5.142 -9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.202 3.902 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.903 3.672 -8.817 1.00 0.00 H new ATOM 45 N GLU A 4 5.697 5.055 -5.264 1.00 0.00 N ATOM 46 CA GLU A 4 6.445 5.556 -4.099 1.00 0.00 C ATOM 47 C GLU A 4 7.505 4.549 -3.600 1.00 0.00 C ATOM 48 O GLU A 4 8.553 4.949 -3.096 1.00 0.00 O ATOM 49 CB GLU A 4 5.395 5.884 -3.019 1.00 0.00 C ATOM 50 CG GLU A 4 5.941 6.325 -1.657 1.00 0.00 C ATOM 51 CD GLU A 4 4.782 6.568 -0.670 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.947 5.649 -0.475 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.696 7.677 -0.088 1.00 0.00 O ATOM 0 H GLU A 4 4.704 4.934 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 4 7.018 6.444 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.747 6.673 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.771 5.003 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.611 5.561 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.528 7.236 -1.771 1.00 0.00 H new ATOM 60 N GLN A 5 7.264 3.244 -3.773 1.00 0.00 N ATOM 61 CA GLN A 5 8.199 2.180 -3.388 1.00 0.00 C ATOM 62 C GLN A 5 9.216 1.817 -4.488 1.00 0.00 C ATOM 63 O GLN A 5 10.383 1.592 -4.164 1.00 0.00 O ATOM 64 CB GLN A 5 7.388 0.966 -2.920 1.00 0.00 C ATOM 65 CG GLN A 5 8.237 -0.220 -2.440 1.00 0.00 C ATOM 66 CD GLN A 5 9.126 0.098 -1.234 1.00 0.00 C ATOM 67 OE1 GLN A 5 8.734 -0.044 -0.086 1.00 0.00 O ATOM 68 NE2 GLN A 5 10.348 0.532 -1.446 1.00 0.00 N ATOM 0 H GLN A 5 6.402 2.892 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 5 8.817 2.549 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.729 1.276 -2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.751 0.633 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.575 -1.047 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.866 -0.560 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.687 0.655 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.957 0.746 -0.657 1.00 0.00 H new ATOM 77 N CYS A 6 8.800 1.744 -5.757 1.00 0.00 N ATOM 78 CA CYS A 6 9.598 1.194 -6.863 1.00 0.00 C ATOM 79 C CYS A 6 10.099 2.220 -7.895 1.00 0.00 C ATOM 80 O CYS A 6 11.166 2.014 -8.467 1.00 0.00 O ATOM 81 CB CYS A 6 8.769 0.100 -7.557 1.00 0.00 C ATOM 82 SG CYS A 6 8.579 -1.461 -6.654 1.00 0.00 S ATOM 0 H CYS A 6 7.880 2.072 -6.052 1.00 0.00 H new ATOM 0 HA CYS A 6 10.510 0.797 -6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.776 0.501 -7.760 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.228 -0.117 -8.521 1.00 0.00 H new ATOM 87 N CYS A 7 9.373 3.316 -8.158 1.00 0.00 N ATOM 88 CA CYS A 7 9.773 4.281 -9.196 1.00 0.00 C ATOM 89 C CYS A 7 10.733 5.348 -8.643 1.00 0.00 C ATOM 90 O CYS A 7 11.796 5.590 -9.216 1.00 0.00 O ATOM 91 CB CYS A 7 8.523 4.916 -9.817 1.00 0.00 C ATOM 92 SG CYS A 7 8.850 5.962 -11.265 1.00 0.00 S ATOM 0 H CYS A 7 8.510 3.557 -7.670 1.00 0.00 H new ATOM 0 HA CYS A 7 10.319 3.747 -9.974 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.833 4.123 -10.106 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.020 5.515 -9.058 1.00 0.00 H new ATOM 97 N THR A 8 10.388 5.949 -7.499 1.00 0.00 N ATOM 98 CA THR A 8 11.183 7.020 -6.852 1.00 0.00 C ATOM 99 C THR A 8 12.240 6.492 -5.863 1.00 0.00 C ATOM 100 O THR A 8 13.129 7.231 -5.434 1.00 0.00 O ATOM 101 CB THR A 8 10.232 8.052 -6.223 1.00 0.00 C ATOM 102 OG1 THR A 8 10.883 9.284 -6.000 1.00 0.00 O ATOM 103 CG2 THR A 8 9.601 7.580 -4.915 1.00 0.00 C ATOM 0 H THR A 8 9.541 5.709 -6.984 1.00 0.00 H new ATOM 0 HA THR A 8 11.772 7.515 -7.624 1.00 0.00 H new ATOM 0 HB THR A 8 9.431 8.181 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.809 9.120 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.942 8.357 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.025 6.673 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.385 7.373 -4.187 1.00 0.00 H new ATOM 111 N SER A 9 12.180 5.193 -5.545 1.00 0.00 N ATOM 112 CA SER A 9 13.105 4.465 -4.662 1.00 0.00 C ATOM 113 C SER A 9 13.397 3.051 -5.192 1.00 0.00 C ATOM 114 O SER A 9 12.674 2.540 -6.043 1.00 0.00 O ATOM 115 CB SER A 9 12.493 4.354 -3.258 1.00 0.00 C ATOM 116 OG SER A 9 12.367 5.623 -2.632 1.00 0.00 O ATOM 0 H SER A 9 11.447 4.588 -5.915 1.00 0.00 H new ATOM 0 HA SER A 9 14.042 5.021 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.512 3.884 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.115 3.705 -2.641 1.00 0.00 H new ATOM 0 HG SER A 9 11.973 5.511 -1.742 1.00 0.00 H new ATOM 122 N ILE A 10 14.437 2.392 -4.674 1.00 0.00 N ATOM 123 CA ILE A 10 14.710 0.965 -4.929 1.00 0.00 C ATOM 124 C ILE A 10 13.629 0.092 -4.266 1.00 0.00 C ATOM 125 O ILE A 10 13.197 0.374 -3.145 1.00 0.00 O ATOM 126 CB ILE A 10 16.134 0.582 -4.448 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.190 1.303 -5.319 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.365 -0.943 -4.455 1.00 0.00 C ATOM 129 CD1 ILE A 10 18.628 1.190 -4.799 1.00 0.00 C ATOM 0 H ILE A 10 15.122 2.833 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 10 14.674 0.785 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 10 16.235 0.907 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.149 0.895 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 10 16.925 2.358 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.376 -1.159 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.645 -1.423 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.237 -1.326 -5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.301 1.724 -5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 10 18.690 1.625 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 10 18.918 0.140 -4.755 1.00 0.00 H new ATOM 141 N CYS A 11 13.235 -0.998 -4.931 1.00 0.00 N ATOM 142 CA CYS A 11 12.382 -2.048 -4.364 1.00 0.00 C ATOM 143 C CYS A 11 12.895 -3.464 -4.691 1.00 0.00 C ATOM 144 O CYS A 11 13.704 -3.654 -5.603 1.00 0.00 O ATOM 145 CB CYS A 11 10.925 -1.820 -4.784 1.00 0.00 C ATOM 146 SG CYS A 11 10.476 -2.200 -6.495 1.00 0.00 S ATOM 0 H CYS A 11 13.505 -1.179 -5.898 1.00 0.00 H new ATOM 0 HA CYS A 11 12.427 -1.980 -3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.290 -2.417 -4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.681 -0.774 -4.597 1.00 0.00 H new ATOM 151 N SER A 12 12.436 -4.453 -3.921 1.00 0.00 N ATOM 152 CA SER A 12 12.895 -5.848 -3.958 1.00 0.00 C ATOM 153 C SER A 12 11.730 -6.834 -3.902 1.00 0.00 C ATOM 154 O SER A 12 10.601 -6.455 -3.593 1.00 0.00 O ATOM 155 CB SER A 12 13.808 -6.125 -2.754 1.00 0.00 C ATOM 156 OG SER A 12 13.059 -6.088 -1.549 1.00 0.00 O ATOM 0 H SER A 12 11.705 -4.300 -3.226 1.00 0.00 H new ATOM 0 HA SER A 12 13.430 -5.985 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.282 -7.100 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.607 -5.384 -2.717 1.00 0.00 H new ATOM 0 HG SER A 12 13.652 -6.268 -0.790 1.00 0.00 H new ATOM 162 N LEU A 13 12.022 -8.120 -4.109 1.00 0.00 N ATOM 163 CA LEU A 13 11.129 -9.268 -3.881 1.00 0.00 C ATOM 164 C LEU A 13 10.377 -9.152 -2.541 1.00 0.00 C ATOM 165 O LEU A 13 9.179 -9.432 -2.475 1.00 0.00 O ATOM 166 CB LEU A 13 12.043 -10.516 -3.908 1.00 0.00 C ATOM 167 CG LEU A 13 11.476 -11.840 -3.352 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.259 -12.321 -4.129 1.00 0.00 C ATOM 169 CD2 LEU A 13 12.551 -12.922 -3.428 1.00 0.00 C ATOM 0 H LEU A 13 12.936 -8.408 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 13 10.353 -9.321 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.342 -10.689 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.948 -10.279 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 13 11.172 -11.653 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.898 -13.255 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.472 -11.569 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.534 -12.484 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.153 -13.858 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.853 -13.062 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.415 -12.619 -2.836 1.00 0.00 H new ATOM 181 N TYR A 14 11.060 -8.679 -1.495 1.00 0.00 N ATOM 182 CA TYR A 14 10.512 -8.601 -0.137 1.00 0.00 C ATOM 183 C TYR A 14 9.553 -7.413 0.063 1.00 0.00 C ATOM 184 O TYR A 14 8.794 -7.394 1.033 1.00 0.00 O ATOM 185 CB TYR A 14 11.672 -8.609 0.865 1.00 0.00 C ATOM 186 CG TYR A 14 12.661 -9.739 0.630 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.294 -11.064 0.940 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.912 -9.481 0.037 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.173 -12.129 0.663 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.795 -10.543 -0.246 1.00 0.00 C ATOM 191 CZ TYR A 14 14.429 -11.872 0.066 1.00 0.00 C ATOM 192 OH TYR A 14 15.295 -12.887 -0.208 1.00 0.00 O ATOM 0 H TYR A 14 12.018 -8.336 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 14 9.888 -9.477 0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.199 -7.656 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.270 -8.691 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.334 -11.264 1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.196 -8.467 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.888 -13.142 0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.753 -10.341 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 14 16.107 -12.522 -0.618 1.00 0.00 H new ATOM 202 N GLN A 15 9.548 -6.449 -0.866 1.00 0.00 N ATOM 203 CA GLN A 15 8.550 -5.376 -0.956 1.00 0.00 C ATOM 204 C GLN A 15 7.449 -5.761 -1.953 1.00 0.00 C ATOM 205 O GLN A 15 6.268 -5.642 -1.636 1.00 0.00 O ATOM 206 CB GLN A 15 9.212 -4.040 -1.339 1.00 0.00 C ATOM 207 CG GLN A 15 10.319 -3.583 -0.373 1.00 0.00 C ATOM 208 CD GLN A 15 9.862 -3.326 1.066 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.685 -3.273 1.403 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.788 -3.141 1.983 1.00 0.00 N ATOM 0 H GLN A 15 10.258 -6.392 -1.596 1.00 0.00 H new ATOM 0 HA GLN A 15 8.091 -5.243 0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.634 -4.131 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.444 -3.267 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.103 -4.341 -0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.766 -2.669 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.775 -3.180 1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.519 -2.958 2.950 1.00 0.00 H new ATOM 219 N LEU A 16 7.823 -6.295 -3.116 1.00 0.00 N ATOM 220 CA LEU A 16 6.944 -6.638 -4.237 1.00 0.00 C ATOM 221 C LEU A 16 5.861 -7.681 -3.886 1.00 0.00 C ATOM 222 O LEU A 16 4.742 -7.583 -4.387 1.00 0.00 O ATOM 223 CB LEU A 16 7.848 -7.087 -5.404 1.00 0.00 C ATOM 224 CG LEU A 16 8.580 -5.933 -6.120 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.605 -6.501 -7.100 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.622 -5.055 -6.922 1.00 0.00 C ATOM 0 H LEU A 16 8.800 -6.512 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 16 6.363 -5.760 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.588 -7.791 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.241 -7.624 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 16 9.055 -5.332 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.120 -5.682 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.331 -7.107 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.097 -7.120 -7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.182 -4.256 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.121 -5.660 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.879 -4.622 -6.253 1.00 0.00 H new ATOM 238 N GLU A 17 6.110 -8.612 -2.960 1.00 0.00 N ATOM 239 CA GLU A 17 5.066 -9.529 -2.468 1.00 0.00 C ATOM 240 C GLU A 17 3.926 -8.854 -1.677 1.00 0.00 C ATOM 241 O GLU A 17 2.850 -9.441 -1.544 1.00 0.00 O ATOM 242 CB GLU A 17 5.693 -10.668 -1.644 1.00 0.00 C ATOM 243 CG GLU A 17 6.328 -11.732 -2.546 1.00 0.00 C ATOM 244 CD GLU A 17 6.301 -13.117 -1.874 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.186 -13.418 -1.036 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.385 -13.917 -2.192 1.00 0.00 O ATOM 0 H GLU A 17 7.025 -8.754 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 17 4.593 -9.930 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.449 -10.260 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.929 -11.129 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.794 -11.774 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.357 -11.454 -2.772 1.00 0.00 H new ATOM 253 N ASN A 18 4.096 -7.618 -1.194 1.00 0.00 N ATOM 254 CA ASN A 18 3.069 -6.896 -0.429 1.00 0.00 C ATOM 255 C ASN A 18 1.923 -6.343 -1.307 1.00 0.00 C ATOM 256 O ASN A 18 0.922 -5.860 -0.770 1.00 0.00 O ATOM 257 CB ASN A 18 3.726 -5.784 0.413 1.00 0.00 C ATOM 258 CG ASN A 18 4.653 -6.338 1.477 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.249 -6.691 2.576 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.920 -6.440 1.166 1.00 0.00 N ATOM 0 H ASN A 18 4.956 -7.085 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 18 2.598 -7.618 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.287 -5.118 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.949 -5.184 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.583 -6.817 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.245 -6.142 0.246 1.00 0.00 H new ATOM 267 N TYR A 19 2.044 -6.423 -2.638 1.00 0.00 N ATOM 268 CA TYR A 19 1.074 -5.872 -3.598 1.00 0.00 C ATOM 269 C TYR A 19 0.135 -6.928 -4.210 1.00 0.00 C ATOM 270 O TYR A 19 -0.821 -6.566 -4.898 1.00 0.00 O ATOM 271 CB TYR A 19 1.828 -5.065 -4.666 1.00 0.00 C ATOM 272 CG TYR A 19 2.630 -3.917 -4.086 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.024 -2.667 -3.871 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.973 -4.121 -3.720 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.729 -1.649 -3.198 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.679 -3.113 -3.031 1.00 0.00 C ATOM 277 CZ TYR A 19 4.052 -1.879 -2.754 1.00 0.00 C ATOM 278 OH TYR A 19 4.734 -0.907 -2.092 1.00 0.00 O ATOM 0 H TYR A 19 2.835 -6.882 -3.089 1.00 0.00 H new ATOM 0 HA TYR A 19 0.404 -5.208 -3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.498 -5.730 -5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.113 -4.672 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.018 -2.487 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.464 -5.051 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.259 -0.693 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.698 -3.285 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 19 5.386 -1.319 -1.487 1.00 0.00 H new ATOM 288 N CYS A 20 0.359 -8.222 -3.948 1.00 0.00 N ATOM 289 CA CYS A 20 -0.579 -9.289 -4.320 1.00 0.00 C ATOM 290 C CYS A 20 -1.913 -9.179 -3.553 1.00 0.00 C ATOM 291 O CYS A 20 -1.948 -8.722 -2.403 1.00 0.00 O ATOM 292 CB CYS A 20 0.065 -10.659 -4.088 1.00 0.00 C ATOM 293 SG CYS A 20 1.549 -11.017 -5.063 1.00 0.00 S ATOM 0 H CYS A 20 1.196 -8.559 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.808 -9.175 -5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.320 -10.744 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.678 -11.428 -4.299 1.00 0.00 H new ATOM 383 N HIS B 5 15.740 0.731 -9.189 1.00 0.00 N ATOM 384 CA HIS B 5 14.445 1.371 -9.436 1.00 0.00 C ATOM 385 C HIS B 5 13.734 0.632 -10.586 1.00 0.00 C ATOM 386 O HIS B 5 14.373 0.161 -11.534 1.00 0.00 O ATOM 387 CB HIS B 5 14.616 2.854 -9.796 1.00 0.00 C ATOM 388 CG HIS B 5 15.056 3.757 -8.669 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.471 4.955 -8.333 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.163 3.617 -7.877 1.00 0.00 C ATOM 391 CE1 HIS B 5 15.203 5.525 -7.365 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.246 4.738 -7.042 1.00 0.00 N ATOM 0 HA HIS B 5 13.847 1.316 -8.526 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.344 2.931 -10.603 1.00 0.00 H new ATOM 0 HB3 HIS B 5 13.668 3.226 -10.185 1.00 0.00 H new ATOM 0 HD1 HIS B 5 13.625 5.344 -8.749 1.00 0.00 H new ATOM 0 HD2 HIS B 5 16.853 2.786 -7.893 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.986 6.480 -6.909 1.00 0.00 H new ATOM 400 N LEU B 6 12.411 0.538 -10.504 1.00 0.00 N ATOM 401 CA LEU B 6 11.521 -0.117 -11.465 1.00 0.00 C ATOM 402 C LEU B 6 10.283 0.770 -11.655 1.00 0.00 C ATOM 403 O LEU B 6 9.527 0.989 -10.709 1.00 0.00 O ATOM 404 CB LEU B 6 11.135 -1.514 -10.932 1.00 0.00 C ATOM 405 CG LEU B 6 12.306 -2.502 -10.776 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.879 -3.683 -9.908 1.00 0.00 C ATOM 407 CD2 LEU B 6 12.807 -3.043 -12.116 1.00 0.00 C ATOM 0 H LEU B 6 11.898 0.940 -9.719 1.00 0.00 H new ATOM 0 HA LEU B 6 12.014 -0.249 -12.428 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.650 -1.394 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.398 -1.952 -11.606 1.00 0.00 H new ATOM 0 HG LEU B 6 13.120 -1.947 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.713 -4.377 -9.802 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.581 -3.322 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU B 6 11.038 -4.194 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.632 -3.734 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU B 6 11.996 -3.565 -12.624 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.150 -2.216 -12.737 1.00 0.00 H new ATOM 419 N CYS B 7 10.070 1.298 -12.861 1.00 0.00 N ATOM 420 CA CYS B 7 8.957 2.203 -13.165 1.00 0.00 C ATOM 421 C CYS B 7 8.275 1.847 -14.498 1.00 0.00 C ATOM 422 O CYS B 7 8.899 1.261 -15.384 1.00 0.00 O ATOM 423 CB CYS B 7 9.465 3.648 -13.125 1.00 0.00 C ATOM 424 SG CYS B 7 8.157 4.870 -12.839 1.00 0.00 S ATOM 0 H CYS B 7 10.671 1.108 -13.663 1.00 0.00 H new ATOM 0 HA CYS B 7 8.182 2.090 -12.407 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.214 3.739 -12.338 1.00 0.00 H new ATOM 0 HB3 CYS B 7 9.963 3.875 -14.067 1.00 0.00 H new ATOM 429 N GLY B 8 6.985 2.168 -14.632 1.00 0.00 N ATOM 430 CA GLY B 8 6.196 1.872 -15.836 1.00 0.00 C ATOM 431 C GLY B 8 6.152 0.372 -16.145 1.00 0.00 C ATOM 432 O GLY B 8 5.770 -0.435 -15.296 1.00 0.00 O ATOM 0 H GLY B 8 6.453 2.644 -13.904 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.180 2.244 -15.703 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.621 2.404 -16.687 1.00 0.00 H new ATOM 436 N SER B 9 6.591 -0.017 -17.345 1.00 0.00 N ATOM 437 CA SER B 9 6.650 -1.418 -17.786 1.00 0.00 C ATOM 438 C SER B 9 7.549 -2.295 -16.907 1.00 0.00 C ATOM 439 O SER B 9 7.243 -3.469 -16.703 1.00 0.00 O ATOM 440 CB SER B 9 7.153 -1.496 -19.229 1.00 0.00 C ATOM 441 OG SER B 9 6.366 -0.681 -20.087 1.00 0.00 O ATOM 0 H SER B 9 6.921 0.641 -18.051 1.00 0.00 H new ATOM 0 HA SER B 9 5.633 -1.802 -17.705 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.194 -1.177 -19.273 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.122 -2.530 -19.574 1.00 0.00 H new ATOM 0 HG SER B 9 6.707 -0.746 -21.003 1.00 0.00 H new ATOM 447 N HIS B 10 8.623 -1.735 -16.340 1.00 0.00 N ATOM 448 CA HIS B 10 9.535 -2.469 -15.454 1.00 0.00 C ATOM 449 C HIS B 10 8.873 -2.807 -14.114 1.00 0.00 C ATOM 450 O HIS B 10 9.053 -3.904 -13.587 1.00 0.00 O ATOM 451 CB HIS B 10 10.803 -1.644 -15.201 1.00 0.00 C ATOM 452 CG HIS B 10 11.705 -1.512 -16.397 1.00 0.00 C ATOM 453 ND1 HIS B 10 12.854 -2.234 -16.616 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.578 -0.623 -17.430 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.409 -1.796 -17.756 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.664 -0.813 -18.295 1.00 0.00 N ATOM 0 H HIS B 10 8.885 -0.760 -16.482 1.00 0.00 H new ATOM 0 HA HIS B 10 9.794 -3.403 -15.952 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.513 -0.648 -14.867 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.364 -2.102 -14.386 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.783 0.097 -17.556 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.325 -2.178 -18.182 1.00 0.00 H new ATOM 0 HE2 HIS B 10 12.852 -0.307 -19.161 1.00 0.00 H new ATOM 464 N LEU B 11 8.082 -1.871 -13.580 1.00 0.00 N ATOM 465 CA LEU B 11 7.356 -2.018 -12.319 1.00 0.00 C ATOM 466 C LEU B 11 6.332 -3.154 -12.410 1.00 0.00 C ATOM 467 O LEU B 11 6.324 -4.030 -11.550 1.00 0.00 O ATOM 468 CB LEU B 11 6.712 -0.659 -11.989 1.00 0.00 C ATOM 469 CG LEU B 11 5.858 -0.569 -10.712 1.00 0.00 C ATOM 470 CD1 LEU B 11 5.883 0.888 -10.236 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.392 -0.946 -10.958 1.00 0.00 C ATOM 0 H LEU B 11 7.926 -0.967 -14.026 1.00 0.00 H new ATOM 0 HA LEU B 11 8.031 -2.295 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.509 0.081 -11.914 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.086 -0.369 -12.833 1.00 0.00 H new ATOM 0 HG LEU B 11 6.272 -1.264 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.285 0.985 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.911 1.185 -10.026 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.471 1.532 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.834 -0.866 -10.025 1.00 0.00 H new ATOM 0 HD22 LEU B 11 3.962 -0.270 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.337 -1.970 -11.327 1.00 0.00 H new ATOM 483 N VAL B 12 5.516 -3.181 -13.473 1.00 0.00 N ATOM 484 CA VAL B 12 4.477 -4.216 -13.630 1.00 0.00 C ATOM 485 C VAL B 12 5.054 -5.570 -14.025 1.00 0.00 C ATOM 486 O VAL B 12 4.563 -6.589 -13.546 1.00 0.00 O ATOM 487 CB VAL B 12 3.355 -3.809 -14.601 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.561 -2.630 -14.035 1.00 0.00 C ATOM 489 CG2 VAL B 12 3.832 -3.451 -16.013 1.00 0.00 C ATOM 0 H VAL B 12 5.552 -2.503 -14.235 1.00 0.00 H new ATOM 0 HA VAL B 12 4.030 -4.314 -12.641 1.00 0.00 H new ATOM 0 HB VAL B 12 2.729 -4.696 -14.697 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.771 -2.354 -14.734 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.118 -2.914 -13.081 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.227 -1.780 -13.887 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.975 -3.177 -16.628 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.525 -2.611 -15.961 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.336 -4.310 -16.455 1.00 0.00 H new ATOM 499 N GLU B 13 6.123 -5.618 -14.824 1.00 0.00 N ATOM 500 CA GLU B 13 6.789 -6.875 -15.183 1.00 0.00 C ATOM 501 C GLU B 13 7.447 -7.526 -13.957 1.00 0.00 C ATOM 502 O GLU B 13 7.268 -8.722 -13.720 1.00 0.00 O ATOM 503 CB GLU B 13 7.807 -6.624 -16.307 1.00 0.00 C ATOM 504 CG GLU B 13 8.465 -7.918 -16.803 1.00 0.00 C ATOM 505 CD GLU B 13 9.367 -7.647 -18.024 1.00 0.00 C ATOM 506 OE1 GLU B 13 10.552 -7.271 -17.839 1.00 0.00 O ATOM 507 OE2 GLU B 13 8.903 -7.817 -19.177 1.00 0.00 O ATOM 0 H GLU B 13 6.551 -4.791 -15.240 1.00 0.00 H new ATOM 0 HA GLU B 13 6.040 -7.577 -15.550 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.308 -6.131 -17.141 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.578 -5.942 -15.949 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.056 -8.360 -16.001 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.695 -8.643 -17.069 1.00 0.00 H new ATOM 514 N ALA B 14 8.144 -6.743 -13.127 1.00 0.00 N ATOM 515 CA ALA B 14 8.768 -7.226 -11.897 1.00 0.00 C ATOM 516 C ALA B 14 7.742 -7.631 -10.828 1.00 0.00 C ATOM 517 O ALA B 14 7.886 -8.690 -10.213 1.00 0.00 O ATOM 518 CB ALA B 14 9.690 -6.126 -11.378 1.00 0.00 C ATOM 0 H ALA B 14 8.290 -5.748 -13.294 1.00 0.00 H new ATOM 0 HA ALA B 14 9.332 -8.131 -12.120 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.171 -6.458 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.451 -5.906 -12.127 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.107 -5.227 -11.178 1.00 0.00 H new ATOM 524 N LEU B 15 6.677 -6.844 -10.630 1.00 0.00 N ATOM 525 CA LEU B 15 5.603 -7.183 -9.702 1.00 0.00 C ATOM 526 C LEU B 15 4.802 -8.405 -10.192 1.00 0.00 C ATOM 527 O LEU B 15 4.461 -9.259 -9.381 1.00 0.00 O ATOM 528 CB LEU B 15 4.768 -5.911 -9.434 1.00 0.00 C ATOM 529 CG LEU B 15 3.474 -6.124 -8.648 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.699 -6.827 -7.310 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.823 -4.771 -8.357 1.00 0.00 C ATOM 0 H LEU B 15 6.540 -5.955 -11.111 1.00 0.00 H new ATOM 0 HA LEU B 15 6.002 -7.507 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.389 -5.198 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.519 -5.453 -10.391 1.00 0.00 H new ATOM 0 HG LEU B 15 2.837 -6.756 -9.267 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.744 -6.950 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.146 -7.806 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.367 -6.228 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.901 -4.924 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.506 -4.157 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.597 -4.266 -9.296 1.00 0.00 H new ATOM 543 N TYR B 16 4.577 -8.582 -11.494 1.00 0.00 N ATOM 544 CA TYR B 16 3.938 -9.792 -12.040 1.00 0.00 C ATOM 545 C TYR B 16 4.830 -11.035 -11.879 1.00 0.00 C ATOM 546 O TYR B 16 4.335 -12.096 -11.497 1.00 0.00 O ATOM 547 CB TYR B 16 3.578 -9.566 -13.513 1.00 0.00 C ATOM 548 CG TYR B 16 2.796 -10.704 -14.144 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.393 -10.740 -14.016 1.00 0.00 C ATOM 550 CD2 TYR B 16 3.465 -11.713 -14.863 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.654 -11.783 -14.611 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.731 -12.754 -15.459 1.00 0.00 C ATOM 553 CZ TYR B 16 1.324 -12.790 -15.343 1.00 0.00 C ATOM 554 OH TYR B 16 0.616 -13.781 -15.948 1.00 0.00 O ATOM 0 H TYR B 16 4.830 -7.895 -12.204 1.00 0.00 H new ATOM 0 HA TYR B 16 3.027 -9.980 -11.472 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.995 -8.649 -13.596 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.496 -9.412 -14.080 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.883 -9.967 -13.461 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.541 -11.687 -14.957 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.421 -11.813 -14.508 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.245 -13.529 -16.008 1.00 0.00 H new ATOM 0 HH TYR B 16 1.232 -14.388 -16.409 1.00 0.00 H new ATOM 564 N LEU B 17 6.143 -10.902 -12.106 1.00 0.00 N ATOM 565 CA LEU B 17 7.133 -11.966 -11.916 1.00 0.00 C ATOM 566 C LEU B 17 7.236 -12.401 -10.443 1.00 0.00 C ATOM 567 O LEU B 17 7.304 -13.598 -10.162 1.00 0.00 O ATOM 568 CB LEU B 17 8.483 -11.469 -12.465 1.00 0.00 C ATOM 569 CG LEU B 17 9.658 -12.453 -12.327 1.00 0.00 C ATOM 570 CD1 LEU B 17 9.419 -13.753 -13.104 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.930 -11.799 -12.873 1.00 0.00 C ATOM 0 H LEU B 17 6.555 -10.029 -12.435 1.00 0.00 H new ATOM 0 HA LEU B 17 6.821 -12.856 -12.463 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.358 -11.225 -13.520 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.745 -10.543 -11.952 1.00 0.00 H new ATOM 0 HG LEU B 17 9.756 -12.696 -11.269 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.275 -14.416 -12.976 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.521 -14.243 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.290 -13.526 -14.162 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.766 -12.492 -12.777 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.787 -11.546 -13.924 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.145 -10.892 -12.307 1.00 0.00 H new ATOM 583 N VAL B 18 7.197 -11.449 -9.501 1.00 0.00 N ATOM 584 CA VAL B 18 7.238 -11.737 -8.054 1.00 0.00 C ATOM 585 C VAL B 18 5.892 -12.257 -7.548 1.00 0.00 C ATOM 586 O VAL B 18 5.844 -13.202 -6.761 1.00 0.00 O ATOM 587 CB VAL B 18 7.714 -10.504 -7.256 1.00 0.00 C ATOM 588 CG1 VAL B 18 7.447 -10.657 -5.754 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.214 -10.290 -7.468 1.00 0.00 C ATOM 0 H VAL B 18 7.136 -10.454 -9.718 1.00 0.00 H new ATOM 0 HA VAL B 18 7.967 -12.531 -7.893 1.00 0.00 H new ATOM 0 HB VAL B 18 7.151 -9.646 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.797 -9.768 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.377 -10.780 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.977 -11.532 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.541 -9.418 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.759 -11.170 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.412 -10.129 -8.528 1.00 0.00 H new ATOM 599 N CYS B 19 4.776 -11.698 -8.016 1.00 0.00 N ATOM 600 CA CYS B 19 3.448 -12.174 -7.655 1.00 0.00 C ATOM 601 C CYS B 19 3.138 -13.523 -8.322 1.00 0.00 C ATOM 602 O CYS B 19 2.246 -14.231 -7.871 1.00 0.00 O ATOM 603 CB CYS B 19 2.414 -11.087 -7.960 1.00 0.00 C ATOM 604 SG CYS B 19 0.892 -11.195 -6.986 1.00 0.00 S ATOM 0 H CYS B 19 4.771 -10.903 -8.655 1.00 0.00 H new ATOM 0 HA CYS B 19 3.406 -12.367 -6.583 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.870 -10.112 -7.788 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.156 -11.136 -9.018 1.00 0.00 H new ATOM 609 N GLY B 20 3.898 -13.932 -9.343 1.00 0.00 N ATOM 610 CA GLY B 20 3.856 -15.276 -9.922 1.00 0.00 C ATOM 611 C GLY B 20 2.461 -15.669 -10.415 1.00 0.00 C ATOM 612 O GLY B 20 1.949 -16.731 -10.061 1.00 0.00 O ATOM 0 H GLY B 20 4.576 -13.322 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.558 -15.330 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.189 -15.998 -9.176 1.00 0.00 H new ATOM 616 N GLU B 21 1.825 -14.742 -11.138 1.00 0.00 N ATOM 617 CA GLU B 21 0.426 -14.779 -11.591 1.00 0.00 C ATOM 618 C GLU B 21 -0.656 -15.000 -10.507 1.00 0.00 C ATOM 619 O GLU B 21 -1.799 -15.340 -10.829 1.00 0.00 O ATOM 620 CB GLU B 21 0.252 -15.622 -12.868 1.00 0.00 C ATOM 621 CG GLU B 21 0.350 -17.146 -12.713 1.00 0.00 C ATOM 622 CD GLU B 21 -0.063 -17.859 -14.017 1.00 0.00 C ATOM 623 OE1 GLU B 21 -1.273 -18.137 -14.209 1.00 0.00 O ATOM 624 OE2 GLU B 21 0.821 -18.169 -14.854 1.00 0.00 O ATOM 0 H GLU B 21 2.300 -13.892 -11.443 1.00 0.00 H new ATOM 0 HA GLU B 21 0.211 -13.747 -11.869 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.721 -15.387 -13.300 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.006 -15.305 -13.589 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.370 -17.424 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.291 -17.474 -11.895 1.00 0.00 H new ATOM 631 N ARG B 22 -0.336 -14.748 -9.228 1.00 0.00 N ATOM 632 CA ARG B 22 -1.339 -14.705 -8.132 1.00 0.00 C ATOM 633 C ARG B 22 -2.297 -13.509 -8.275 1.00 0.00 C ATOM 634 O ARG B 22 -3.440 -13.587 -7.827 1.00 0.00 O ATOM 635 CB ARG B 22 -0.662 -14.684 -6.744 1.00 0.00 C ATOM 636 CG ARG B 22 0.026 -16.008 -6.362 1.00 0.00 C ATOM 637 CD ARG B 22 0.822 -15.892 -5.049 1.00 0.00 C ATOM 638 NE ARG B 22 2.102 -15.183 -5.242 1.00 0.00 N ATOM 639 CZ ARG B 22 2.999 -14.864 -4.326 1.00 0.00 C ATOM 640 NH1 ARG B 22 2.837 -15.081 -3.055 1.00 0.00 N ATOM 641 NH2 ARG B 22 4.132 -14.305 -4.635 1.00 0.00 N ATOM 0 H ARG B 22 0.619 -14.568 -8.917 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.928 -15.619 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.077 -13.883 -6.724 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.411 -14.445 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.726 -16.790 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.696 -16.312 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.223 -15.364 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.015 -16.889 -4.652 1.00 0.00 H new ATOM 0 HE ARG B 22 2.321 -14.906 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.980 -15.520 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.566 -14.812 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.350 -14.100 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.802 -14.072 -3.902 1.00 0.00 H new ATOM 655 N GLY B 23 -1.842 -12.439 -8.933 1.00 0.00 N ATOM 656 CA GLY B 23 -2.585 -11.208 -9.225 1.00 0.00 C ATOM 657 C GLY B 23 -2.390 -10.112 -8.173 1.00 0.00 C ATOM 658 O GLY B 23 -2.487 -10.365 -6.970 1.00 0.00 O ATOM 0 H GLY B 23 -0.890 -12.406 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.273 -10.827 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.647 -11.443 -9.301 1.00 0.00 H new ATOM 662 N PHE B 24 -2.104 -8.892 -8.633 1.00 0.00 N ATOM 663 CA PHE B 24 -1.709 -7.745 -7.804 1.00 0.00 C ATOM 664 C PHE B 24 -2.597 -6.498 -7.983 1.00 0.00 C ATOM 665 O PHE B 24 -3.352 -6.378 -8.953 1.00 0.00 O ATOM 666 CB PHE B 24 -0.235 -7.416 -8.092 1.00 0.00 C ATOM 667 CG PHE B 24 0.039 -6.885 -9.491 1.00 0.00 C ATOM 668 CD1 PHE B 24 -0.048 -5.501 -9.753 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.402 -7.768 -10.526 1.00 0.00 C ATOM 670 CE1 PHE B 24 0.251 -5.001 -11.032 1.00 0.00 C ATOM 671 CE2 PHE B 24 0.696 -7.262 -11.807 1.00 0.00 C ATOM 672 CZ PHE B 24 0.626 -5.882 -12.061 1.00 0.00 C ATOM 0 H PHE B 24 -2.142 -8.665 -9.627 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.846 -8.036 -6.762 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.107 -6.679 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.360 -8.316 -7.937 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.346 -4.823 -8.967 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.455 -8.830 -10.338 1.00 0.00 H new ATOM 0 HE1 PHE B 24 0.193 -3.940 -11.224 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.977 -7.940 -12.600 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.860 -5.499 -13.044 1.00 0.00 H new