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 K(o=0,f=-0.58) USER MOD Single : A 8 THR OG1 : rot 160:sc= -0.0327 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= -0.0261 K(o=-0.026,f=-0.7) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 HIS : no HE2:sc= 0.471 K(o=0.47,f=-2.4!) 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 2.216 1.732 -5.330 1.00 0.00 N ATOM 11 CA ILE A 2 3.584 1.282 -5.653 1.00 0.00 C ATOM 12 C ILE A 2 4.374 2.204 -6.599 1.00 0.00 C ATOM 13 O ILE A 2 5.605 2.234 -6.553 1.00 0.00 O ATOM 14 CB ILE A 2 3.561 -0.180 -6.138 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.999 -0.732 -6.152 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.846 -0.306 -7.489 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.130 -2.188 -6.563 1.00 0.00 C ATOM 0 HA ILE A 2 4.146 1.341 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 2 2.981 -0.791 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.597 -0.124 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.426 -0.612 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.846 -1.349 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.818 0.043 -7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.365 0.298 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.180 -2.479 -6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.565 -2.813 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.739 -2.318 -7.572 1.00 0.00 H new ATOM 29 N VAL A 3 3.710 3.026 -7.413 1.00 0.00 N ATOM 30 CA VAL A 3 4.388 4.036 -8.253 1.00 0.00 C ATOM 31 C VAL A 3 5.161 5.053 -7.386 1.00 0.00 C ATOM 32 O VAL A 3 6.213 5.541 -7.786 1.00 0.00 O ATOM 33 CB VAL A 3 3.358 4.718 -9.175 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.992 5.802 -10.052 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.704 3.691 -10.114 1.00 0.00 C ATOM 0 H VAL A 3 2.695 3.018 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 3 5.129 3.542 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 3 2.618 5.172 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.227 6.253 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.437 6.569 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.764 5.357 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.981 4.194 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.471 3.221 -10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.196 2.929 -9.523 1.00 0.00 H new ATOM 45 N GLU A 4 4.701 5.286 -6.152 1.00 0.00 N ATOM 46 CA GLU A 4 5.342 6.120 -5.120 1.00 0.00 C ATOM 47 C GLU A 4 6.328 5.322 -4.232 1.00 0.00 C ATOM 48 O GLU A 4 6.760 5.807 -3.182 1.00 0.00 O ATOM 49 CB GLU A 4 4.246 6.783 -4.259 1.00 0.00 C ATOM 50 CG GLU A 4 3.201 7.588 -5.051 1.00 0.00 C ATOM 51 CD GLU A 4 1.977 7.890 -4.172 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.106 6.996 -4.024 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.866 9.017 -3.628 1.00 0.00 O ATOM 0 H GLU A 4 3.825 4.878 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 4 5.936 6.882 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.732 6.008 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.723 7.445 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.642 8.520 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.893 7.027 -5.933 1.00 0.00 H new ATOM 60 N GLN A 5 6.665 4.086 -4.629 1.00 0.00 N ATOM 61 CA GLN A 5 7.560 3.165 -3.919 1.00 0.00 C ATOM 62 C GLN A 5 8.738 2.714 -4.791 1.00 0.00 C ATOM 63 O GLN A 5 9.893 2.923 -4.420 1.00 0.00 O ATOM 64 CB GLN A 5 6.774 1.942 -3.403 1.00 0.00 C ATOM 65 CG GLN A 5 5.648 2.314 -2.434 1.00 0.00 C ATOM 66 CD GLN A 5 6.124 2.753 -1.048 1.00 0.00 C ATOM 67 OE1 GLN A 5 7.304 2.825 -0.718 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.198 3.041 -0.162 1.00 0.00 N ATOM 0 H GLN A 5 6.303 3.684 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 5 7.975 3.708 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.351 1.405 -4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.463 1.259 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.058 3.118 -2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.984 1.457 -2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.212 2.987 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.465 3.319 0.782 1.00 0.00 H new ATOM 77 N CYS A 6 8.458 2.116 -5.957 1.00 0.00 N ATOM 78 CA CYS A 6 9.468 1.441 -6.781 1.00 0.00 C ATOM 79 C CYS A 6 9.947 2.235 -8.005 1.00 0.00 C ATOM 80 O CYS A 6 11.030 1.949 -8.513 1.00 0.00 O ATOM 81 CB CYS A 6 8.943 0.048 -7.165 1.00 0.00 C ATOM 82 SG CYS A 6 8.499 -1.016 -5.764 1.00 0.00 S ATOM 0 H CYS A 6 7.520 2.087 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 6 10.368 1.352 -6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.067 0.169 -7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.702 -0.459 -7.761 1.00 0.00 H new ATOM 87 N CYS A 7 9.208 3.256 -8.453 1.00 0.00 N ATOM 88 CA CYS A 7 9.700 4.184 -9.479 1.00 0.00 C ATOM 89 C CYS A 7 10.467 5.365 -8.847 1.00 0.00 C ATOM 90 O CYS A 7 11.495 5.809 -9.363 1.00 0.00 O ATOM 91 CB CYS A 7 8.523 4.627 -10.357 1.00 0.00 C ATOM 92 SG CYS A 7 8.963 5.724 -11.735 1.00 0.00 S ATOM 0 H CYS A 7 8.266 3.461 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 7 10.424 3.680 -10.119 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.036 3.739 -10.760 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.791 5.134 -9.728 1.00 0.00 H new ATOM 97 N THR A 8 10.008 5.839 -7.682 1.00 0.00 N ATOM 98 CA THR A 8 10.601 6.950 -6.907 1.00 0.00 C ATOM 99 C THR A 8 11.796 6.538 -6.039 1.00 0.00 C ATOM 100 O THR A 8 12.585 7.401 -5.647 1.00 0.00 O ATOM 101 CB THR A 8 9.526 7.574 -6.004 1.00 0.00 C ATOM 102 OG1 THR A 8 8.912 6.557 -5.249 1.00 0.00 O ATOM 103 CG2 THR A 8 8.436 8.287 -6.807 1.00 0.00 C ATOM 0 H THR A 8 9.181 5.448 -7.231 1.00 0.00 H new ATOM 0 HA THR A 8 10.975 7.665 -7.640 1.00 0.00 H new ATOM 0 HB THR A 8 10.022 8.306 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.474 6.950 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.700 8.711 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.884 9.085 -7.400 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.947 7.573 -7.470 1.00 0.00 H new ATOM 111 N SER A 9 11.963 5.240 -5.746 1.00 0.00 N ATOM 112 CA SER A 9 13.074 4.670 -4.967 1.00 0.00 C ATOM 113 C SER A 9 13.370 3.216 -5.379 1.00 0.00 C ATOM 114 O SER A 9 12.650 2.636 -6.188 1.00 0.00 O ATOM 115 CB SER A 9 12.737 4.745 -3.471 1.00 0.00 C ATOM 116 OG SER A 9 13.915 4.573 -2.697 1.00 0.00 O ATOM 0 H SER A 9 11.301 4.529 -6.058 1.00 0.00 H new ATOM 0 HA SER A 9 13.972 5.253 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.279 5.707 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.009 3.975 -3.215 1.00 0.00 H new ATOM 0 HG SER A 9 13.691 4.624 -1.744 1.00 0.00 H new ATOM 122 N ILE A 10 14.428 2.609 -4.830 1.00 0.00 N ATOM 123 CA ILE A 10 14.762 1.189 -5.038 1.00 0.00 C ATOM 124 C ILE A 10 13.780 0.274 -4.285 1.00 0.00 C ATOM 125 O ILE A 10 13.368 0.569 -3.159 1.00 0.00 O ATOM 126 CB ILE A 10 16.245 0.923 -4.667 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.165 1.691 -5.647 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.567 -0.584 -4.653 1.00 0.00 C ATOM 129 CD1 ILE A 10 18.671 1.477 -5.449 1.00 0.00 C ATOM 0 H ILE A 10 15.087 3.093 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 10 14.651 0.949 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 10 16.424 1.287 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.906 1.399 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 10 16.953 2.756 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.614 -0.730 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.935 -1.084 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.380 -1.005 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.222 2.060 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 10 18.956 1.798 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 10 18.908 0.420 -5.572 1.00 0.00 H new ATOM 141 N CYS A 11 13.439 -0.866 -4.894 1.00 0.00 N ATOM 142 CA CYS A 11 12.609 -1.927 -4.311 1.00 0.00 C ATOM 143 C CYS A 11 13.333 -3.286 -4.293 1.00 0.00 C ATOM 144 O CYS A 11 14.428 -3.444 -4.841 1.00 0.00 O ATOM 145 CB CYS A 11 11.274 -1.992 -5.070 1.00 0.00 C ATOM 146 SG CYS A 11 10.046 -0.814 -4.455 1.00 0.00 S ATOM 0 H CYS A 11 13.745 -1.084 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 11 12.411 -1.687 -3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.455 -1.799 -6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.869 -3.001 -4.995 1.00 0.00 H new ATOM 151 N SER A 12 12.705 -4.268 -3.644 1.00 0.00 N ATOM 152 CA SER A 12 13.123 -5.676 -3.632 1.00 0.00 C ATOM 153 C SER A 12 11.909 -6.606 -3.574 1.00 0.00 C ATOM 154 O SER A 12 10.801 -6.159 -3.272 1.00 0.00 O ATOM 155 CB SER A 12 14.004 -5.946 -2.406 1.00 0.00 C ATOM 156 OG SER A 12 14.796 -7.098 -2.648 1.00 0.00 O ATOM 0 H SER A 12 11.863 -4.102 -3.093 1.00 0.00 H new ATOM 0 HA SER A 12 13.680 -5.869 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.643 -5.086 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.383 -6.095 -1.522 1.00 0.00 H new ATOM 0 HG SER A 12 15.363 -7.275 -1.868 1.00 0.00 H new ATOM 162 N LEU A 13 12.127 -7.908 -3.771 1.00 0.00 N ATOM 163 CA LEU A 13 11.178 -9.010 -3.556 1.00 0.00 C ATOM 164 C LEU A 13 10.368 -8.823 -2.260 1.00 0.00 C ATOM 165 O LEU A 13 9.145 -8.939 -2.263 1.00 0.00 O ATOM 166 CB LEU A 13 12.022 -10.308 -3.496 1.00 0.00 C ATOM 167 CG LEU A 13 11.304 -11.584 -3.015 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.175 -11.995 -3.956 1.00 0.00 C ATOM 169 CD2 LEU A 13 12.299 -12.744 -2.934 1.00 0.00 C ATOM 0 H LEU A 13 13.029 -8.246 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 13 10.447 -9.047 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.422 -10.499 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.873 -10.129 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 13 10.883 -11.361 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.697 -12.899 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.439 -11.193 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.581 -12.188 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.784 -13.642 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.729 -12.924 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.094 -12.493 -2.232 1.00 0.00 H new ATOM 181 N TYR A 14 11.054 -8.461 -1.172 1.00 0.00 N ATOM 182 CA TYR A 14 10.481 -8.340 0.174 1.00 0.00 C ATOM 183 C TYR A 14 9.518 -7.147 0.332 1.00 0.00 C ATOM 184 O TYR A 14 8.750 -7.096 1.293 1.00 0.00 O ATOM 185 CB TYR A 14 11.625 -8.298 1.198 1.00 0.00 C ATOM 186 CG TYR A 14 12.636 -9.421 1.022 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.239 -10.759 1.214 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.952 -9.132 0.607 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.153 -11.808 0.987 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.868 -10.176 0.384 1.00 0.00 C ATOM 191 CZ TYR A 14 14.473 -11.518 0.569 1.00 0.00 C ATOM 192 OH TYR A 14 15.365 -12.521 0.347 1.00 0.00 O ATOM 0 H TYR A 14 12.049 -8.238 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 14 9.859 -9.217 0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.139 -7.340 1.118 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.205 -8.351 2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.232 -10.982 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.258 -8.107 0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.845 -12.833 1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.876 -9.950 0.070 1.00 0.00 H new ATOM 0 HH TYR A 14 16.222 -12.140 0.065 1.00 0.00 H new ATOM 202 N GLN A 15 9.539 -6.203 -0.616 1.00 0.00 N ATOM 203 CA GLN A 15 8.555 -5.125 -0.747 1.00 0.00 C ATOM 204 C GLN A 15 7.517 -5.457 -1.827 1.00 0.00 C ATOM 205 O GLN A 15 6.326 -5.232 -1.621 1.00 0.00 O ATOM 206 CB GLN A 15 9.252 -3.790 -1.065 1.00 0.00 C ATOM 207 CG GLN A 15 10.173 -3.290 0.061 1.00 0.00 C ATOM 208 CD GLN A 15 9.449 -2.893 1.352 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.228 -2.824 1.447 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.178 -2.600 2.409 1.00 0.00 N ATOM 0 H GLN A 15 10.263 -6.168 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 15 8.035 -5.027 0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.837 -3.904 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.494 -3.033 -1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.898 -4.070 0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.736 -2.430 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.195 -2.650 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.725 -2.324 3.280 1.00 0.00 H new ATOM 219 N LEU A 16 7.942 -6.048 -2.948 1.00 0.00 N ATOM 220 CA LEU A 16 7.087 -6.394 -4.088 1.00 0.00 C ATOM 221 C LEU A 16 5.959 -7.376 -3.718 1.00 0.00 C ATOM 222 O LEU A 16 4.833 -7.212 -4.188 1.00 0.00 O ATOM 223 CB LEU A 16 7.995 -6.922 -5.218 1.00 0.00 C ATOM 224 CG LEU A 16 8.778 -5.820 -5.957 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.865 -6.425 -6.836 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.879 -4.994 -6.878 1.00 0.00 C ATOM 0 H LEU A 16 8.918 -6.306 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 16 6.560 -5.503 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.702 -7.637 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.383 -7.465 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 16 9.203 -5.184 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.405 -5.628 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.559 -6.994 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.410 -7.087 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.474 -4.230 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.425 -5.646 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.096 -4.517 -6.289 1.00 0.00 H new ATOM 238 N GLU A 17 6.192 -8.326 -2.809 1.00 0.00 N ATOM 239 CA GLU A 17 5.143 -9.222 -2.291 1.00 0.00 C ATOM 240 C GLU A 17 3.981 -8.502 -1.567 1.00 0.00 C ATOM 241 O GLU A 17 2.897 -9.076 -1.440 1.00 0.00 O ATOM 242 CB GLU A 17 5.762 -10.265 -1.344 1.00 0.00 C ATOM 243 CG GLU A 17 6.580 -11.299 -2.116 1.00 0.00 C ATOM 244 CD GLU A 17 7.033 -12.448 -1.190 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.964 -12.249 -0.373 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.444 -13.555 -1.254 1.00 0.00 O ATOM 0 H GLU A 17 7.114 -8.500 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 17 4.707 -9.697 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.399 -9.765 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.972 -10.767 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.985 -11.701 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.452 -10.820 -2.561 1.00 0.00 H new ATOM 253 N ASN A 18 4.165 -7.252 -1.128 1.00 0.00 N ATOM 254 CA ASN A 18 3.128 -6.473 -0.437 1.00 0.00 C ATOM 255 C ASN A 18 2.047 -5.922 -1.392 1.00 0.00 C ATOM 256 O ASN A 18 1.048 -5.374 -0.919 1.00 0.00 O ATOM 257 CB ASN A 18 3.788 -5.343 0.385 1.00 0.00 C ATOM 258 CG ASN A 18 4.765 -5.834 1.444 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.653 -6.924 1.995 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.751 -5.037 1.798 1.00 0.00 N ATOM 0 H ASN A 18 5.044 -6.747 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 18 2.604 -7.149 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.313 -4.672 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.007 -4.757 0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.408 -5.329 2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.858 -4.127 1.349 1.00 0.00 H new ATOM 267 N TYR A 19 2.219 -6.068 -2.715 1.00 0.00 N ATOM 268 CA TYR A 19 1.342 -5.469 -3.737 1.00 0.00 C ATOM 269 C TYR A 19 0.604 -6.493 -4.620 1.00 0.00 C ATOM 270 O TYR A 19 -0.032 -6.117 -5.606 1.00 0.00 O ATOM 271 CB TYR A 19 2.133 -4.434 -4.547 1.00 0.00 C ATOM 272 CG TYR A 19 2.891 -3.436 -3.693 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.193 -2.463 -2.949 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.294 -3.506 -3.615 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.892 -1.564 -2.126 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.999 -2.618 -2.780 1.00 0.00 C ATOM 277 CZ TYR A 19 4.298 -1.662 -2.016 1.00 0.00 C ATOM 278 OH TYR A 19 4.981 -0.858 -1.155 1.00 0.00 O ATOM 0 H TYR A 19 2.983 -6.614 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 19 0.532 -4.961 -3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.839 -4.955 -5.193 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.445 -3.893 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.116 -2.408 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.831 -4.241 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.357 -0.801 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.076 -2.669 -2.725 1.00 0.00 H new ATOM 0 HH TYR A 19 5.938 -1.061 -1.208 1.00 0.00 H new ATOM 288 N CYS A 20 0.652 -7.780 -4.267 1.00 0.00 N ATOM 289 CA CYS A 20 -0.170 -8.826 -4.884 1.00 0.00 C ATOM 290 C CYS A 20 -1.616 -8.807 -4.340 1.00 0.00 C ATOM 291 O CYS A 20 -1.872 -8.291 -3.247 1.00 0.00 O ATOM 292 CB CYS A 20 0.477 -10.201 -4.669 1.00 0.00 C ATOM 293 SG CYS A 20 2.253 -10.308 -5.034 1.00 0.00 S ATOM 0 H CYS A 20 1.271 -8.130 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.224 -8.626 -5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.321 -10.496 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.046 -10.928 -5.290 1.00 0.00 H new ATOM 383 N HIS B 5 15.761 1.161 -9.463 1.00 0.00 N ATOM 384 CA HIS B 5 14.467 1.798 -9.733 1.00 0.00 C ATOM 385 C HIS B 5 13.738 1.032 -10.846 1.00 0.00 C ATOM 386 O HIS B 5 14.344 0.595 -11.829 1.00 0.00 O ATOM 387 CB HIS B 5 14.633 3.274 -10.120 1.00 0.00 C ATOM 388 CG HIS B 5 14.964 4.203 -8.979 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.250 5.321 -8.609 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.058 4.142 -8.157 1.00 0.00 C ATOM 391 CE1 HIS B 5 14.908 5.930 -7.606 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.015 5.240 -7.286 1.00 0.00 N ATOM 0 HA HIS B 5 13.874 1.765 -8.819 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.420 3.350 -10.870 1.00 0.00 H new ATOM 0 HB3 HIS B 5 13.711 3.616 -10.590 1.00 0.00 H new ATOM 0 HD1 HIS B 5 13.372 5.634 -9.024 1.00 0.00 H new ATOM 0 HD2 HIS B 5 16.822 3.379 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.591 6.844 -7.126 1.00 0.00 H new ATOM 400 N LEU B 6 12.419 0.899 -10.699 1.00 0.00 N ATOM 401 CA LEU B 6 11.519 0.174 -11.596 1.00 0.00 C ATOM 402 C LEU B 6 10.289 1.046 -11.885 1.00 0.00 C ATOM 403 O LEU B 6 9.431 1.223 -11.021 1.00 0.00 O ATOM 404 CB LEU B 6 11.122 -1.166 -10.937 1.00 0.00 C ATOM 405 CG LEU B 6 12.278 -2.144 -10.635 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.767 -3.277 -9.741 1.00 0.00 C ATOM 407 CD2 LEU B 6 12.887 -2.762 -11.893 1.00 0.00 C ATOM 0 H LEU B 6 11.925 1.316 -9.910 1.00 0.00 H new ATOM 0 HA LEU B 6 12.012 -0.044 -12.543 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.604 -0.949 -10.003 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.408 -1.670 -11.588 1.00 0.00 H new ATOM 0 HG LEU B 6 13.056 -1.563 -10.140 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.583 -3.968 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.389 -2.861 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.965 -3.810 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.694 -3.439 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.120 -3.316 -12.434 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.282 -1.972 -12.532 1.00 0.00 H new ATOM 419 N CYS B 7 10.201 1.590 -13.099 1.00 0.00 N ATOM 420 CA CYS B 7 9.094 2.435 -13.561 1.00 0.00 C ATOM 421 C CYS B 7 8.307 1.769 -14.697 1.00 0.00 C ATOM 422 O CYS B 7 8.893 1.131 -15.576 1.00 0.00 O ATOM 423 CB CYS B 7 9.652 3.794 -14.007 1.00 0.00 C ATOM 424 SG CYS B 7 10.479 4.778 -12.728 1.00 0.00 S ATOM 0 H CYS B 7 10.918 1.452 -13.811 1.00 0.00 H new ATOM 0 HA CYS B 7 8.397 2.579 -12.736 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.359 3.624 -14.819 1.00 0.00 H new ATOM 0 HB3 CYS B 7 8.832 4.384 -14.416 1.00 0.00 H new ATOM 429 N GLY B 8 6.983 1.938 -14.702 1.00 0.00 N ATOM 430 CA GLY B 8 6.105 1.517 -15.803 1.00 0.00 C ATOM 431 C GLY B 8 6.233 0.027 -16.133 1.00 0.00 C ATOM 432 O GLY B 8 5.935 -0.827 -15.296 1.00 0.00 O ATOM 0 H GLY B 8 6.480 2.378 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.070 1.738 -15.540 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.340 2.102 -16.692 1.00 0.00 H new ATOM 436 N SER B 9 6.725 -0.294 -17.329 1.00 0.00 N ATOM 437 CA SER B 9 6.938 -1.668 -17.807 1.00 0.00 C ATOM 438 C SER B 9 7.857 -2.482 -16.886 1.00 0.00 C ATOM 439 O SER B 9 7.617 -3.669 -16.666 1.00 0.00 O ATOM 440 CB SER B 9 7.555 -1.649 -19.206 1.00 0.00 C ATOM 441 OG SER B 9 6.755 -0.889 -20.100 1.00 0.00 O ATOM 0 H SER B 9 6.995 0.411 -18.015 1.00 0.00 H new ATOM 0 HA SER B 9 5.958 -2.144 -17.819 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.559 -1.226 -19.160 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.655 -2.669 -19.578 1.00 0.00 H new ATOM 0 HG SER B 9 7.168 -0.888 -20.989 1.00 0.00 H new ATOM 447 N HIS B 10 8.875 -1.842 -16.300 1.00 0.00 N ATOM 448 CA HIS B 10 9.791 -2.487 -15.355 1.00 0.00 C ATOM 449 C HIS B 10 9.102 -2.818 -14.028 1.00 0.00 C ATOM 450 O HIS B 10 9.346 -3.879 -13.451 1.00 0.00 O ATOM 451 CB HIS B 10 10.998 -1.579 -15.096 1.00 0.00 C ATOM 452 CG HIS B 10 11.931 -1.422 -16.267 1.00 0.00 C ATOM 453 ND1 HIS B 10 13.130 -2.080 -16.432 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.791 -0.562 -17.323 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.700 -1.626 -17.558 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.920 -0.699 -18.143 1.00 0.00 N ATOM 0 H HIS B 10 9.087 -0.859 -16.469 1.00 0.00 H new ATOM 0 HA HIS B 10 10.121 -3.424 -15.804 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.637 -0.593 -14.802 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.561 -1.978 -14.252 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.958 0.104 -17.494 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.653 -1.959 -17.942 1.00 0.00 H new ATOM 0 HE2 HIS B 10 13.112 -0.196 -19.010 1.00 0.00 H new ATOM 464 N LEU B 11 8.220 -1.925 -13.560 1.00 0.00 N ATOM 465 CA LEU B 11 7.458 -2.102 -12.324 1.00 0.00 C ATOM 466 C LEU B 11 6.499 -3.286 -12.454 1.00 0.00 C ATOM 467 O LEU B 11 6.503 -4.171 -11.598 1.00 0.00 O ATOM 468 CB LEU B 11 6.729 -0.784 -11.993 1.00 0.00 C ATOM 469 CG LEU B 11 6.016 -0.770 -10.629 1.00 0.00 C ATOM 470 CD1 LEU B 11 5.926 0.671 -10.108 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.587 -1.315 -10.718 1.00 0.00 C ATOM 0 H LEU B 11 8.015 -1.048 -14.039 1.00 0.00 H new ATOM 0 HA LEU B 11 8.128 -2.335 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.452 0.032 -12.019 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.995 -0.584 -12.774 1.00 0.00 H new ATOM 0 HG LEU B 11 6.599 -1.404 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.421 0.678 -9.142 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.930 1.080 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.363 1.279 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.124 -1.285 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.007 -0.704 -11.409 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.612 -2.344 -11.076 1.00 0.00 H new ATOM 483 N VAL B 12 5.708 -3.323 -13.533 1.00 0.00 N ATOM 484 CA VAL B 12 4.676 -4.354 -13.709 1.00 0.00 C ATOM 485 C VAL B 12 5.276 -5.726 -13.980 1.00 0.00 C ATOM 486 O VAL B 12 4.781 -6.707 -13.441 1.00 0.00 O ATOM 487 CB VAL B 12 3.629 -3.989 -14.776 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.877 -2.712 -14.375 1.00 0.00 C ATOM 489 CG2 VAL B 12 4.180 -3.803 -16.188 1.00 0.00 C ATOM 0 H VAL B 12 5.762 -2.651 -14.298 1.00 0.00 H new ATOM 0 HA VAL B 12 4.148 -4.401 -12.756 1.00 0.00 H new ATOM 0 HB VAL B 12 2.965 -4.852 -14.812 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.140 -2.468 -15.140 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.371 -2.871 -13.423 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.585 -1.889 -14.277 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.365 -3.548 -16.866 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.917 -3.000 -16.188 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.652 -4.728 -16.519 1.00 0.00 H new ATOM 499 N GLU B 13 6.374 -5.811 -14.737 1.00 0.00 N ATOM 500 CA GLU B 13 7.051 -7.084 -15.010 1.00 0.00 C ATOM 501 C GLU B 13 7.661 -7.686 -13.739 1.00 0.00 C ATOM 502 O GLU B 13 7.440 -8.864 -13.447 1.00 0.00 O ATOM 503 CB GLU B 13 8.109 -6.875 -16.106 1.00 0.00 C ATOM 504 CG GLU B 13 8.771 -8.190 -16.535 1.00 0.00 C ATOM 505 CD GLU B 13 9.740 -7.967 -17.709 1.00 0.00 C ATOM 506 OE1 GLU B 13 10.936 -7.669 -17.467 1.00 0.00 O ATOM 507 OE2 GLU B 13 9.319 -8.105 -18.885 1.00 0.00 O ATOM 0 H GLU B 13 6.817 -5.004 -15.176 1.00 0.00 H new ATOM 0 HA GLU B 13 6.314 -7.804 -15.367 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.643 -6.406 -16.973 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.873 -6.187 -15.744 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.310 -8.621 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.004 -8.909 -16.824 1.00 0.00 H new ATOM 514 N ALA B 14 8.359 -6.874 -12.938 1.00 0.00 N ATOM 515 CA ALA B 14 8.944 -7.310 -11.672 1.00 0.00 C ATOM 516 C ALA B 14 7.879 -7.742 -10.653 1.00 0.00 C ATOM 517 O ALA B 14 7.996 -8.807 -10.051 1.00 0.00 O ATOM 518 CB ALA B 14 9.781 -6.164 -11.115 1.00 0.00 C ATOM 0 H ALA B 14 8.533 -5.892 -13.153 1.00 0.00 H new ATOM 0 HA ALA B 14 9.565 -8.186 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.228 -6.467 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.569 -5.911 -11.824 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.145 -5.294 -10.954 1.00 0.00 H new ATOM 524 N LEU B 15 6.815 -6.950 -10.484 1.00 0.00 N ATOM 525 CA LEU B 15 5.738 -7.245 -9.546 1.00 0.00 C ATOM 526 C LEU B 15 4.922 -8.474 -9.994 1.00 0.00 C ATOM 527 O LEU B 15 4.658 -9.353 -9.176 1.00 0.00 O ATOM 528 CB LEU B 15 4.915 -5.956 -9.360 1.00 0.00 C ATOM 529 CG LEU B 15 3.654 -6.121 -8.514 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.943 -6.660 -7.117 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.975 -4.758 -8.358 1.00 0.00 C ATOM 0 H LEU B 15 6.680 -6.081 -11.000 1.00 0.00 H new ATOM 0 HA LEU B 15 6.128 -7.535 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.549 -5.199 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.631 -5.578 -10.342 1.00 0.00 H new ATOM 0 HG LEU B 15 3.018 -6.839 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.009 -6.756 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.420 -7.637 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.607 -5.973 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.074 -4.867 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.658 -4.065 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.709 -4.369 -9.341 1.00 0.00 H new ATOM 543 N TYR B 16 4.610 -8.618 -11.285 1.00 0.00 N ATOM 544 CA TYR B 16 3.925 -9.800 -11.830 1.00 0.00 C ATOM 545 C TYR B 16 4.754 -11.085 -11.662 1.00 0.00 C ATOM 546 O TYR B 16 4.215 -12.123 -11.273 1.00 0.00 O ATOM 547 CB TYR B 16 3.630 -9.535 -13.317 1.00 0.00 C ATOM 548 CG TYR B 16 2.865 -10.608 -14.072 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.731 -11.223 -13.501 1.00 0.00 C ATOM 550 CD2 TYR B 16 3.249 -10.934 -15.387 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.989 -12.162 -14.243 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.513 -11.878 -16.132 1.00 0.00 C ATOM 553 CZ TYR B 16 1.374 -12.490 -15.561 1.00 0.00 C ATOM 554 OH TYR B 16 0.636 -13.372 -16.285 1.00 0.00 O ATOM 0 H TYR B 16 4.826 -7.913 -11.990 1.00 0.00 H new ATOM 0 HA TYR B 16 3.000 -9.960 -11.276 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.068 -8.604 -13.390 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.580 -9.374 -13.827 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.432 -10.973 -12.494 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.113 -10.458 -15.828 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.123 -12.633 -13.802 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.819 -12.133 -17.136 1.00 0.00 H new ATOM 0 HH TYR B 16 1.038 -13.485 -17.171 1.00 0.00 H new ATOM 564 N LEU B 17 6.075 -11.005 -11.867 1.00 0.00 N ATOM 565 CA LEU B 17 7.019 -12.106 -11.654 1.00 0.00 C ATOM 566 C LEU B 17 7.150 -12.479 -10.166 1.00 0.00 C ATOM 567 O LEU B 17 7.242 -13.666 -9.844 1.00 0.00 O ATOM 568 CB LEU B 17 8.359 -11.726 -12.313 1.00 0.00 C ATOM 569 CG LEU B 17 9.455 -12.813 -12.246 1.00 0.00 C ATOM 570 CD1 LEU B 17 10.361 -12.718 -13.476 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.360 -12.652 -11.020 1.00 0.00 C ATOM 0 H LEU B 17 6.527 -10.151 -12.194 1.00 0.00 H new ATOM 0 HA LEU B 17 6.645 -13.014 -12.127 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.175 -11.482 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.737 -10.822 -11.836 1.00 0.00 H new ATOM 0 HG LEU B 17 8.935 -13.770 -12.194 1.00 0.00 H new ATOM 0 HD11 LEU B 17 11.131 -13.488 -13.421 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.766 -12.863 -14.378 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.832 -11.735 -13.506 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.114 -13.439 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.851 -11.680 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.760 -12.722 -10.113 1.00 0.00 H new ATOM 583 N VAL B 18 7.104 -11.502 -9.253 1.00 0.00 N ATOM 584 CA VAL B 18 7.130 -11.752 -7.801 1.00 0.00 C ATOM 585 C VAL B 18 5.816 -12.372 -7.321 1.00 0.00 C ATOM 586 O VAL B 18 5.839 -13.311 -6.519 1.00 0.00 O ATOM 587 CB VAL B 18 7.487 -10.469 -7.026 1.00 0.00 C ATOM 588 CG1 VAL B 18 7.134 -10.563 -5.536 1.00 0.00 C ATOM 589 CG2 VAL B 18 8.994 -10.206 -7.149 1.00 0.00 C ATOM 0 H VAL B 18 7.048 -10.513 -9.497 1.00 0.00 H new ATOM 0 HA VAL B 18 7.915 -12.479 -7.596 1.00 0.00 H new ATOM 0 HB VAL B 18 6.903 -9.658 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.407 -9.632 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.063 -10.733 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.681 -11.390 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.251 -9.299 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.546 -11.049 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.257 -10.083 -8.200 1.00 0.00 H new ATOM 599 N CYS B 19 4.675 -11.906 -7.834 1.00 0.00 N ATOM 600 CA CYS B 19 3.369 -12.452 -7.480 1.00 0.00 C ATOM 601 C CYS B 19 3.116 -13.838 -8.106 1.00 0.00 C ATOM 602 O CYS B 19 2.426 -14.663 -7.511 1.00 0.00 O ATOM 603 CB CYS B 19 2.287 -11.441 -7.882 1.00 0.00 C ATOM 604 SG CYS B 19 2.379 -9.852 -7.012 1.00 0.00 S ATOM 0 H CYS B 19 4.634 -11.140 -8.506 1.00 0.00 H new ATOM 0 HA CYS B 19 3.338 -12.611 -6.402 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.359 -11.258 -8.954 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.308 -11.884 -7.699 1.00 0.00 H new ATOM 609 N GLY B 20 3.681 -14.111 -9.287 1.00 0.00 N ATOM 610 CA GLY B 20 3.611 -15.406 -9.968 1.00 0.00 C ATOM 611 C GLY B 20 2.189 -15.807 -10.362 1.00 0.00 C ATOM 612 O GLY B 20 1.697 -16.857 -9.944 1.00 0.00 O ATOM 0 H GLY B 20 4.215 -13.416 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.232 -15.372 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.030 -16.174 -9.318 1.00 0.00 H new ATOM 616 N GLU B 21 1.518 -14.949 -11.134 1.00 0.00 N ATOM 617 CA GLU B 21 0.128 -15.117 -11.614 1.00 0.00 C ATOM 618 C GLU B 21 -0.970 -15.061 -10.525 1.00 0.00 C ATOM 619 O GLU B 21 -2.121 -15.418 -10.788 1.00 0.00 O ATOM 620 CB GLU B 21 -0.010 -16.329 -12.564 1.00 0.00 C ATOM 621 CG GLU B 21 0.968 -16.303 -13.747 1.00 0.00 C ATOM 622 CD GLU B 21 0.738 -17.503 -14.685 1.00 0.00 C ATOM 623 OE1 GLU B 21 -0.198 -17.464 -15.522 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.493 -18.501 -14.599 1.00 0.00 O ATOM 0 H GLU B 21 1.939 -14.079 -11.460 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.071 -14.219 -12.199 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.147 -17.245 -11.995 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.030 -16.364 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.845 -15.374 -14.304 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.993 -16.319 -13.376 1.00 0.00 H new ATOM 631 N ARG B 22 -0.664 -14.545 -9.319 1.00 0.00 N ATOM 632 CA ARG B 22 -1.671 -14.240 -8.273 1.00 0.00 C ATOM 633 C ARG B 22 -2.546 -13.017 -8.599 1.00 0.00 C ATOM 634 O ARG B 22 -3.618 -12.848 -8.015 1.00 0.00 O ATOM 635 CB ARG B 22 -0.959 -14.017 -6.923 1.00 0.00 C ATOM 636 CG ARG B 22 -1.724 -14.608 -5.728 1.00 0.00 C ATOM 637 CD ARG B 22 -1.335 -16.062 -5.391 1.00 0.00 C ATOM 638 NE ARG B 22 -1.607 -17.007 -6.496 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.754 -17.430 -7.417 1.00 0.00 C ATOM 640 NH1 ARG B 22 0.501 -17.088 -7.426 1.00 0.00 N ATOM 641 NH2 ARG B 22 -1.149 -18.211 -8.381 1.00 0.00 N ATOM 0 H ARG B 22 0.291 -14.326 -9.037 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.340 -15.099 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.035 -14.463 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.822 -12.947 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.548 -13.983 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.793 -14.568 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.275 -16.099 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.882 -16.382 -4.504 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.557 -17.374 -6.555 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.866 -16.468 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.120 -17.439 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.125 -18.504 -8.433 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.483 -18.530 -9.084 1.00 0.00 H new ATOM 655 N GLY B 23 -2.083 -12.175 -9.524 1.00 0.00 N ATOM 656 CA GLY B 23 -2.642 -10.853 -9.813 1.00 0.00 C ATOM 657 C GLY B 23 -2.077 -9.777 -8.876 1.00 0.00 C ATOM 658 O GLY B 23 -1.685 -10.063 -7.740 1.00 0.00 O ATOM 0 H GLY B 23 -1.281 -12.402 -10.113 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.425 -10.585 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.727 -10.888 -9.714 1.00 0.00 H new ATOM 662 N PHE B 24 -1.990 -8.542 -9.371 1.00 0.00 N ATOM 663 CA PHE B 24 -1.353 -7.408 -8.682 1.00 0.00 C ATOM 664 C PHE B 24 -1.962 -6.035 -9.052 1.00 0.00 C ATOM 665 O PHE B 24 -2.181 -5.191 -8.184 1.00 0.00 O ATOM 666 CB PHE B 24 0.149 -7.446 -9.013 1.00 0.00 C ATOM 667 CG PHE B 24 0.488 -7.236 -10.485 1.00 0.00 C ATOM 668 CD1 PHE B 24 0.316 -8.278 -11.418 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.899 -5.969 -10.938 1.00 0.00 C ATOM 670 CE1 PHE B 24 0.490 -8.031 -12.793 1.00 0.00 C ATOM 671 CE2 PHE B 24 1.092 -5.726 -12.307 1.00 0.00 C ATOM 672 CZ PHE B 24 0.874 -6.755 -13.238 1.00 0.00 C ATOM 0 H PHE B 24 -2.368 -8.291 -10.284 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.527 -7.515 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.655 -6.680 -8.426 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.552 -8.408 -8.696 1.00 0.00 H new ATOM 0 HD1 PHE B 24 0.050 -9.268 -11.078 1.00 0.00 H new ATOM 0 HD2 PHE B 24 1.068 -5.175 -10.225 1.00 0.00 H new ATOM 0 HE1 PHE B 24 0.328 -8.824 -13.508 1.00 0.00 H new ATOM 0 HE2 PHE B 24 1.408 -4.750 -12.644 1.00 0.00 H new ATOM 0 HZ PHE B 24 1.001 -6.566 -14.294 1.00 0.00 H new