USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.648 K(o=-0.65,f=-4.4!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 19 GLN : amide:sc= -2.23 K(o=-2.2,f=-8.1!) USER MOD Single : A 20 THR OG1 : rot -35:sc= 0.107 USER MOD Single : A 21 ASN :FLIP amide:sc= -4.39! C(o=-9.5!,f=-4.4!) USER MOD Single : A 26 SER OG : rot 47:sc= 0.0131 USER MOD Single : A 28 SER OG : rot -10:sc= 0.968 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.5!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.195 -4.607 -0.263 1.00 0.00 N ATOM 117 CA LEU A 9 -10.728 -3.332 0.273 1.00 0.00 C ATOM 118 C LEU A 9 -10.017 -2.513 -0.802 1.00 0.00 C ATOM 119 O LEU A 9 -8.978 -2.922 -1.318 1.00 0.00 O ATOM 120 CB LEU A 9 -9.790 -3.572 1.458 1.00 0.00 C ATOM 121 CG LEU A 9 -9.139 -2.321 2.039 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.191 -1.391 2.625 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.111 -2.698 3.094 1.00 0.00 C ATOM 0 HA LEU A 9 -11.596 -2.767 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.351 -4.070 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.003 -4.258 1.144 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.629 -1.794 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.706 -0.505 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.890 -1.094 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.732 -1.907 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.656 -1.794 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.600 -3.249 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.339 -3.322 2.643 1.00 0.00 H new ATOM 135 N VAL A 10 -10.579 -1.352 -1.129 1.00 0.00 N ATOM 136 CA VAL A 10 -9.993 -0.481 -2.142 1.00 0.00 C ATOM 137 C VAL A 10 -9.293 0.709 -1.497 1.00 0.00 C ATOM 138 O VAL A 10 -9.867 1.398 -0.653 1.00 0.00 O ATOM 139 CB VAL A 10 -11.058 0.044 -3.125 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.403 0.760 -4.296 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.941 -1.092 -3.614 1.00 0.00 C ATOM 0 H VAL A 10 -11.437 -0.994 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.268 -1.081 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.686 0.762 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.173 1.122 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.819 1.603 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.747 0.068 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.686 -0.701 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.328 -1.836 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.443 -1.554 -2.764 1.00 0.00 H new ATOM 151 N VAL A 11 -8.051 0.945 -1.899 1.00 0.00 N ATOM 152 CA VAL A 11 -7.271 2.050 -1.358 1.00 0.00 C ATOM 153 C VAL A 11 -6.746 2.947 -2.478 1.00 0.00 C ATOM 154 O VAL A 11 -6.559 2.495 -3.607 1.00 0.00 O ATOM 155 CB VAL A 11 -6.091 1.533 -0.510 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.990 0.973 -1.397 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.558 2.633 0.391 1.00 0.00 C ATOM 0 H VAL A 11 -7.562 0.386 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.932 2.634 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.454 0.723 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.169 0.615 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.384 0.147 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.626 1.755 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.726 2.249 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.215 3.469 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.350 2.972 1.058 1.00 0.00 H new ATOM 167 N ARG A 12 -6.510 4.219 -2.163 1.00 0.00 N ATOM 168 CA ARG A 12 -6.008 5.168 -3.151 1.00 0.00 C ATOM 169 C ARG A 12 -4.714 5.828 -2.676 1.00 0.00 C ATOM 170 O ARG A 12 -4.586 6.201 -1.510 1.00 0.00 O ATOM 171 CB ARG A 12 -7.060 6.238 -3.447 1.00 0.00 C ATOM 172 CG ARG A 12 -6.673 7.169 -4.582 1.00 0.00 C ATOM 173 CD ARG A 12 -7.706 8.264 -4.784 1.00 0.00 C ATOM 174 NE ARG A 12 -7.839 9.115 -3.604 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.868 9.929 -3.395 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.851 10.005 -4.282 1.00 0.00 N ATOM 177 NH2 ARG A 12 -8.912 10.670 -2.296 1.00 0.00 N ATOM 0 H ARG A 12 -6.658 4.614 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.795 4.614 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.003 5.751 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.231 6.827 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.703 7.618 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.565 6.596 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.424 8.875 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.671 7.814 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.100 9.082 -2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.819 9.437 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.639 10.631 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.157 10.614 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.701 11.296 -2.134 1.00 0.00 H new ATOM 191 N ALA A 13 -3.759 5.967 -3.592 1.00 0.00 N ATOM 192 CA ALA A 13 -2.470 6.577 -3.281 1.00 0.00 C ATOM 193 C ALA A 13 -2.626 8.022 -2.818 1.00 0.00 C ATOM 194 O ALA A 13 -3.407 8.786 -3.384 1.00 0.00 O ATOM 195 CB ALA A 13 -1.556 6.513 -4.495 1.00 0.00 C ATOM 0 H ALA A 13 -3.855 5.663 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.025 6.013 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.597 6.971 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.400 5.472 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.015 7.050 -5.325 1.00 0.00 H new ATOM 201 N LYS A 14 -1.877 8.391 -1.781 1.00 0.00 N ATOM 202 CA LYS A 14 -1.919 9.748 -1.245 1.00 0.00 C ATOM 203 C LYS A 14 -0.755 10.579 -1.777 1.00 0.00 C ATOM 204 O LYS A 14 -0.954 11.550 -2.506 1.00 0.00 O ATOM 205 CB LYS A 14 -1.883 9.720 0.284 1.00 0.00 C ATOM 206 CG LYS A 14 -3.043 8.960 0.905 1.00 0.00 C ATOM 207 CD LYS A 14 -2.984 8.988 2.424 1.00 0.00 C ATOM 208 CE LYS A 14 -3.245 10.384 2.969 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.200 10.419 4.457 1.00 0.00 N ATOM 0 H LYS A 14 -1.233 7.767 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.852 10.210 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.947 9.266 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.888 10.744 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.984 9.395 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.028 7.926 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.721 8.295 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.005 8.644 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.503 11.075 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.221 10.730 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.383 11.388 4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.925 9.780 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.261 10.114 4.783 1.00 0.00 H new ATOM 223 N PHE A 15 0.462 10.186 -1.403 1.00 0.00 N ATOM 224 CA PHE A 15 1.663 10.892 -1.839 1.00 0.00 C ATOM 225 C PHE A 15 2.325 10.168 -3.006 1.00 0.00 C ATOM 226 O PHE A 15 2.077 8.983 -3.234 1.00 0.00 O ATOM 227 CB PHE A 15 2.658 11.015 -0.682 1.00 0.00 C ATOM 228 CG PHE A 15 2.060 11.592 0.570 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.454 12.839 0.554 1.00 0.00 C ATOM 230 CD2 PHE A 15 2.101 10.886 1.761 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.902 13.370 1.702 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.549 11.412 2.913 1.00 0.00 C ATOM 233 CZ PHE A 15 0.949 12.656 2.884 1.00 0.00 C ATOM 0 H PHE A 15 0.641 9.383 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 15 1.366 11.888 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.065 10.029 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.493 11.641 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.413 13.401 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.570 9.913 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.434 14.343 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.586 10.851 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.517 13.070 3.783 1.00 0.00 H new ATOM 243 N ASN A 16 3.167 10.886 -3.742 1.00 0.00 N ATOM 244 CA ASN A 16 3.870 10.306 -4.880 1.00 0.00 C ATOM 245 C ASN A 16 5.025 9.434 -4.400 1.00 0.00 C ATOM 246 O ASN A 16 6.102 9.935 -4.076 1.00 0.00 O ATOM 247 CB ASN A 16 4.387 11.409 -5.809 1.00 0.00 C ATOM 248 CG ASN A 16 4.950 10.860 -7.108 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.485 9.753 -7.152 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.832 11.639 -8.177 1.00 0.00 N ATOM 0 H ASN A 16 3.379 11.869 -3.571 1.00 0.00 H new ATOM 0 HA ASN A 16 3.171 9.683 -5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.575 12.101 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.160 11.980 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.192 11.326 -9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.381 12.550 -8.097 1.00 0.00 H new ATOM 257 N PHE A 17 4.792 8.128 -4.355 1.00 0.00 N ATOM 258 CA PHE A 17 5.809 7.186 -3.908 1.00 0.00 C ATOM 259 C PHE A 17 6.617 6.659 -5.087 1.00 0.00 C ATOM 260 O PHE A 17 6.087 6.472 -6.183 1.00 0.00 O ATOM 261 CB PHE A 17 5.152 6.023 -3.161 1.00 0.00 C ATOM 262 CG PHE A 17 6.120 5.174 -2.388 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.734 4.084 -2.981 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.410 5.465 -1.066 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.621 3.299 -2.269 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.297 4.685 -0.348 1.00 0.00 C ATOM 267 CZ PHE A 17 7.902 3.601 -0.951 1.00 0.00 C ATOM 0 H PHE A 17 3.907 7.697 -4.623 1.00 0.00 H new ATOM 0 HA PHE A 17 6.488 7.708 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.404 6.421 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.625 5.394 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.517 3.844 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.938 6.312 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.094 2.451 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.516 4.923 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.595 2.989 -0.392 1.00 0.00 H new ATOM 277 N GLN A 18 7.904 6.423 -4.855 1.00 0.00 N ATOM 278 CA GLN A 18 8.787 5.918 -5.898 1.00 0.00 C ATOM 279 C GLN A 18 9.377 4.567 -5.504 1.00 0.00 C ATOM 280 O GLN A 18 9.825 4.378 -4.373 1.00 0.00 O ATOM 281 CB GLN A 18 9.910 6.917 -6.175 1.00 0.00 C ATOM 282 CG GLN A 18 10.837 6.487 -7.300 1.00 0.00 C ATOM 283 CD GLN A 18 11.958 7.477 -7.546 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.401 8.172 -6.631 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.424 7.547 -8.787 1.00 0.00 N ATOM 0 H GLN A 18 8.358 6.574 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 18 8.197 5.786 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.473 7.884 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.495 7.056 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.264 5.513 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.258 6.365 -8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.028 6.952 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.178 8.195 -9.013 1.00 0.00 H new ATOM 294 N GLN A 19 9.377 3.634 -6.450 1.00 0.00 N ATOM 295 CA GLN A 19 9.909 2.298 -6.210 1.00 0.00 C ATOM 296 C GLN A 19 11.427 2.272 -6.353 1.00 0.00 C ATOM 297 O GLN A 19 12.044 3.253 -6.767 1.00 0.00 O ATOM 298 CB GLN A 19 9.290 1.297 -7.186 1.00 0.00 C ATOM 299 CG GLN A 19 8.071 0.576 -6.636 1.00 0.00 C ATOM 300 CD GLN A 19 7.537 -0.475 -7.592 1.00 0.00 C ATOM 301 OE1 GLN A 19 6.691 -0.190 -8.438 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.034 -1.699 -7.464 1.00 0.00 N ATOM 0 H GLN A 19 9.014 3.779 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 19 9.652 2.019 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.009 1.821 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.043 0.559 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.329 0.103 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.287 1.303 -6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.735 -1.893 -6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.715 -2.446 -8.081 1.00 0.00 H new ATOM 311 N THR A 20 12.017 1.135 -5.999 1.00 0.00 N ATOM 312 CA THR A 20 13.459 0.950 -6.094 1.00 0.00 C ATOM 313 C THR A 20 13.776 -0.358 -6.811 1.00 0.00 C ATOM 314 O THR A 20 14.906 -0.590 -7.238 1.00 0.00 O ATOM 315 CB THR A 20 14.122 0.939 -4.702 1.00 0.00 C ATOM 316 OG1 THR A 20 15.544 0.840 -4.840 1.00 0.00 O ATOM 317 CG2 THR A 20 13.609 -0.221 -3.863 1.00 0.00 C ATOM 0 H THR A 20 11.514 0.323 -5.641 1.00 0.00 H new ATOM 0 HA THR A 20 13.860 1.790 -6.661 1.00 0.00 H new ATOM 0 HB THR A 20 13.867 1.871 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.759 0.278 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.093 -0.205 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.530 -0.129 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.836 -1.161 -4.365 1.00 0.00 H new ATOM 325 N ASN A 21 12.760 -1.207 -6.934 1.00 0.00 N ATOM 326 CA ASN A 21 12.906 -2.495 -7.601 1.00 0.00 C ATOM 327 C ASN A 21 11.575 -2.945 -8.196 1.00 0.00 C ATOM 328 O ASN A 21 10.593 -2.202 -8.168 1.00 0.00 O ATOM 329 CB ASN A 21 13.437 -3.544 -6.620 1.00 0.00 C ATOM 330 CG ASN A 21 12.451 -3.889 -5.516 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.588 -2.943 -5.159 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 12.468 -4.998 -4.987 1.00 0.00 N flip ATOM 0 H ASN A 21 11.822 -1.024 -6.578 1.00 0.00 H new ATOM 0 HA ASN A 21 13.624 -2.384 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.688 -4.451 -7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.360 -3.177 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.146 -5.697 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.804 -5.220 -4.245 1.00 0.00 H new ATOM 339 N GLU A 22 11.546 -4.160 -8.735 1.00 0.00 N ATOM 340 CA GLU A 22 10.333 -4.695 -9.347 1.00 0.00 C ATOM 341 C GLU A 22 9.619 -5.667 -8.411 1.00 0.00 C ATOM 342 O GLU A 22 8.695 -6.369 -8.821 1.00 0.00 O ATOM 343 CB GLU A 22 10.673 -5.396 -10.664 1.00 0.00 C ATOM 344 CG GLU A 22 11.620 -6.573 -10.500 1.00 0.00 C ATOM 345 CD GLU A 22 12.135 -7.097 -11.827 1.00 0.00 C ATOM 346 OE1 GLU A 22 11.367 -7.784 -12.533 1.00 0.00 O ATOM 347 OE2 GLU A 22 13.304 -6.817 -12.162 1.00 0.00 O ATOM 0 H GLU A 22 12.346 -4.792 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 22 9.662 -3.859 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.751 -5.744 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.120 -4.673 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.464 -6.271 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.107 -7.376 -9.971 1.00 0.00 H new ATOM 354 N ASP A 23 10.051 -5.703 -7.153 1.00 0.00 N ATOM 355 CA ASP A 23 9.443 -6.591 -6.167 1.00 0.00 C ATOM 356 C ASP A 23 8.491 -5.822 -5.257 1.00 0.00 C ATOM 357 O ASP A 23 7.703 -6.415 -4.521 1.00 0.00 O ATOM 358 CB ASP A 23 10.523 -7.279 -5.330 1.00 0.00 C ATOM 359 CG ASP A 23 11.563 -7.975 -6.188 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.359 -9.160 -6.525 1.00 0.00 O ATOM 361 OD2 ASP A 23 12.582 -7.333 -6.523 1.00 0.00 O ATOM 0 H ASP A 23 10.815 -5.131 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 23 8.873 -7.350 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.014 -6.540 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.056 -8.007 -4.667 1.00 0.00 H new ATOM 366 N GLU A 24 8.572 -4.496 -5.312 1.00 0.00 N ATOM 367 CA GLU A 24 7.713 -3.643 -4.500 1.00 0.00 C ATOM 368 C GLU A 24 6.527 -3.153 -5.331 1.00 0.00 C ATOM 369 O GLU A 24 6.138 -3.803 -6.302 1.00 0.00 O ATOM 370 CB GLU A 24 8.516 -2.457 -3.955 1.00 0.00 C ATOM 371 CG GLU A 24 8.005 -1.930 -2.622 1.00 0.00 C ATOM 372 CD GLU A 24 8.102 -2.957 -1.511 1.00 0.00 C ATOM 373 OE1 GLU A 24 7.164 -3.768 -1.368 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.117 -2.950 -0.783 1.00 0.00 O ATOM 0 H GLU A 24 9.224 -3.990 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 24 7.331 -4.219 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.558 -2.757 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.495 -1.649 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.576 -1.044 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.967 -1.618 -2.733 1.00 0.00 H new ATOM 381 N LEU A 25 5.956 -2.013 -4.955 1.00 0.00 N ATOM 382 CA LEU A 25 4.820 -1.461 -5.682 1.00 0.00 C ATOM 383 C LEU A 25 4.815 0.065 -5.614 1.00 0.00 C ATOM 384 O LEU A 25 4.814 0.649 -4.530 1.00 0.00 O ATOM 385 CB LEU A 25 3.509 -2.025 -5.121 1.00 0.00 C ATOM 386 CG LEU A 25 2.270 -1.794 -5.993 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.231 -2.877 -5.742 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.676 -0.421 -5.722 1.00 0.00 C ATOM 0 H LEU A 25 6.260 -1.457 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 25 4.911 -1.752 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.630 -3.097 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.331 -1.581 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 25 2.574 -1.841 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.358 -2.697 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.656 -3.852 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.933 -2.860 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.797 -0.274 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.388 -0.350 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.416 0.347 -5.948 1.00 0.00 H new ATOM 400 N SER A 26 4.815 0.703 -6.784 1.00 0.00 N ATOM 401 CA SER A 26 4.809 2.160 -6.866 1.00 0.00 C ATOM 402 C SER A 26 3.382 2.683 -6.979 1.00 0.00 C ATOM 403 O SER A 26 2.488 1.972 -7.438 1.00 0.00 O ATOM 404 CB SER A 26 5.632 2.633 -8.067 1.00 0.00 C ATOM 405 OG SER A 26 5.606 4.045 -8.179 1.00 0.00 O ATOM 0 H SER A 26 4.819 0.231 -7.688 1.00 0.00 H new ATOM 0 HA SER A 26 5.258 2.554 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.662 2.292 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.239 2.185 -8.980 1.00 0.00 H new ATOM 0 HG SER A 26 5.782 4.446 -7.302 1.00 0.00 H new ATOM 411 N PHE A 27 3.172 3.928 -6.570 1.00 0.00 N ATOM 412 CA PHE A 27 1.844 4.525 -6.623 1.00 0.00 C ATOM 413 C PHE A 27 1.906 6.042 -6.485 1.00 0.00 C ATOM 414 O PHE A 27 2.668 6.573 -5.678 1.00 0.00 O ATOM 415 CB PHE A 27 0.959 3.935 -5.523 1.00 0.00 C ATOM 416 CG PHE A 27 1.581 3.985 -4.153 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.393 5.085 -3.329 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.349 2.929 -3.687 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.960 5.131 -2.071 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.918 2.971 -2.428 1.00 0.00 C ATOM 421 CZ PHE A 27 2.723 4.072 -1.618 1.00 0.00 C ATOM 0 H PHE A 27 3.899 4.540 -6.200 1.00 0.00 H new ATOM 0 HA PHE A 27 1.413 4.295 -7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.012 4.475 -5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.730 2.899 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.796 5.915 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.504 2.064 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.807 5.995 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.515 2.142 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.166 4.105 -0.633 1.00 0.00 H new ATOM 431 N SER A 28 1.100 6.733 -7.285 1.00 0.00 N ATOM 432 CA SER A 28 1.045 8.189 -7.251 1.00 0.00 C ATOM 433 C SER A 28 -0.399 8.662 -7.120 1.00 0.00 C ATOM 434 O SER A 28 -1.330 7.901 -7.379 1.00 0.00 O ATOM 435 CB SER A 28 1.677 8.782 -8.512 1.00 0.00 C ATOM 436 OG SER A 28 0.996 8.351 -9.677 1.00 0.00 O ATOM 0 H SER A 28 0.474 6.305 -7.967 1.00 0.00 H new ATOM 0 HA SER A 28 1.610 8.532 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.655 9.870 -8.456 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.725 8.487 -8.570 1.00 0.00 H new ATOM 0 HG SER A 28 0.363 7.640 -9.442 1.00 0.00 H new ATOM 442 N LYS A 29 -0.575 9.915 -6.705 1.00 0.00 N ATOM 443 CA LYS A 29 -1.907 10.494 -6.536 1.00 0.00 C ATOM 444 C LYS A 29 -2.814 10.154 -7.717 1.00 0.00 C ATOM 445 O LYS A 29 -2.729 10.774 -8.778 1.00 0.00 O ATOM 446 CB LYS A 29 -1.808 12.013 -6.372 1.00 0.00 C ATOM 447 CG LYS A 29 -3.142 12.684 -6.082 1.00 0.00 C ATOM 448 CD LYS A 29 -2.981 14.182 -5.873 1.00 0.00 C ATOM 449 CE LYS A 29 -2.577 14.888 -7.158 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.377 16.349 -6.952 1.00 0.00 N ATOM 0 H LYS A 29 0.190 10.551 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.347 10.064 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.114 12.238 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.386 12.441 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.828 12.503 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.589 12.238 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.918 14.601 -5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.229 14.364 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.657 14.446 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.345 14.730 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.103 16.792 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.262 16.776 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.626 16.501 -6.248 1.00 0.00 H new ATOM 464 N GLY A 30 -3.680 9.160 -7.526 1.00 0.00 N ATOM 465 CA GLY A 30 -4.591 8.755 -8.582 1.00 0.00 C ATOM 466 C GLY A 30 -4.654 7.250 -8.762 1.00 0.00 C ATOM 467 O GLY A 30 -5.739 6.672 -8.833 1.00 0.00 O ATOM 0 H GLY A 30 -3.766 8.629 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.589 9.131 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.280 9.215 -9.520 1.00 0.00 H new ATOM 471 N ASP A 31 -3.488 6.613 -8.837 1.00 0.00 N ATOM 472 CA ASP A 31 -3.412 5.166 -9.018 1.00 0.00 C ATOM 473 C ASP A 31 -4.130 4.422 -7.893 1.00 0.00 C ATOM 474 O ASP A 31 -3.772 4.551 -6.723 1.00 0.00 O ATOM 475 CB ASP A 31 -1.952 4.715 -9.087 1.00 0.00 C ATOM 476 CG ASP A 31 -1.224 5.296 -10.282 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.843 6.483 -10.225 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.037 4.563 -11.277 1.00 0.00 O ATOM 0 H ASP A 31 -2.582 7.077 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.910 4.925 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.439 5.013 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.913 3.627 -9.135 1.00 0.00 H new ATOM 483 N VAL A 32 -5.143 3.644 -8.262 1.00 0.00 N ATOM 484 CA VAL A 32 -5.910 2.870 -7.293 1.00 0.00 C ATOM 485 C VAL A 32 -5.329 1.468 -7.152 1.00 0.00 C ATOM 486 O VAL A 32 -4.984 0.832 -8.146 1.00 0.00 O ATOM 487 CB VAL A 32 -7.392 2.765 -7.703 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.199 2.069 -6.620 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.962 4.142 -8.001 1.00 0.00 C ATOM 0 H VAL A 32 -5.452 3.533 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.848 3.391 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.456 2.166 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.242 2.005 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.805 1.065 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.129 2.637 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.009 4.048 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.885 4.768 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.401 4.599 -8.816 1.00 0.00 H new ATOM 499 N ILE A 33 -5.230 0.983 -5.918 1.00 0.00 N ATOM 500 CA ILE A 33 -4.670 -0.341 -5.669 1.00 0.00 C ATOM 501 C ILE A 33 -5.648 -1.242 -4.923 1.00 0.00 C ATOM 502 O ILE A 33 -6.260 -0.832 -3.938 1.00 0.00 O ATOM 503 CB ILE A 33 -3.363 -0.247 -4.858 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.388 0.716 -5.536 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.736 -1.626 -4.702 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.205 1.085 -4.669 1.00 0.00 C ATOM 0 H ILE A 33 -5.528 1.483 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.465 -0.778 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.594 0.139 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.025 0.263 -6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.922 1.625 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.814 -1.543 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.431 -2.285 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.514 -2.038 -5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.555 1.770 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.558 1.567 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.648 0.184 -4.411 1.00 0.00 H new ATOM 518 N HIS A 34 -5.782 -2.475 -5.403 1.00 0.00 N ATOM 519 CA HIS A 34 -6.671 -3.448 -4.782 1.00 0.00 C ATOM 520 C HIS A 34 -5.900 -4.311 -3.787 1.00 0.00 C ATOM 521 O HIS A 34 -5.004 -5.063 -4.169 1.00 0.00 O ATOM 522 CB HIS A 34 -7.325 -4.332 -5.845 1.00 0.00 C ATOM 523 CG HIS A 34 -8.200 -3.575 -6.795 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.967 -3.517 -8.152 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.319 -2.844 -6.577 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.902 -2.782 -8.729 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.735 -2.362 -7.794 1.00 0.00 N ATOM 0 H HIS A 34 -5.284 -2.823 -6.222 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.453 -2.907 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.546 -4.844 -6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.918 -5.102 -5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.796 -2.672 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.973 -2.563 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.554 -1.775 -7.950 1.00 0.00 H new ATOM 536 N VAL A 35 -6.256 -4.198 -2.513 1.00 0.00 N ATOM 537 CA VAL A 35 -5.589 -4.957 -1.461 1.00 0.00 C ATOM 538 C VAL A 35 -6.013 -6.423 -1.466 1.00 0.00 C ATOM 539 O VAL A 35 -7.190 -6.740 -1.629 1.00 0.00 O ATOM 540 CB VAL A 35 -5.883 -4.361 -0.072 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.092 -5.090 1.003 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.576 -2.873 -0.054 1.00 0.00 C ATOM 0 H VAL A 35 -7.003 -3.588 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.520 -4.896 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.944 -4.492 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.314 -4.654 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.369 -6.144 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.026 -4.995 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.790 -2.469 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.524 -2.716 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.194 -2.365 -0.794 1.00 0.00 H new ATOM 552 N THR A 36 -5.043 -7.312 -1.282 1.00 0.00 N ATOM 553 CA THR A 36 -5.311 -8.744 -1.251 1.00 0.00 C ATOM 554 C THR A 36 -5.099 -9.298 0.154 1.00 0.00 C ATOM 555 O THR A 36 -5.626 -10.353 0.505 1.00 0.00 O ATOM 556 CB THR A 36 -4.409 -9.508 -2.237 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.033 -9.227 -1.962 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.735 -9.125 -3.674 1.00 0.00 C ATOM 0 H THR A 36 -4.062 -7.065 -1.152 1.00 0.00 H new ATOM 0 HA THR A 36 -6.350 -8.885 -1.548 1.00 0.00 H new ATOM 0 HB THR A 36 -4.591 -10.575 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.466 -9.718 -2.593 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.086 -9.677 -4.354 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.776 -9.369 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.577 -8.055 -3.810 1.00 0.00 H new ATOM 566 N ARG A 37 -4.325 -8.567 0.951 1.00 0.00 N ATOM 567 CA ARG A 37 -4.037 -8.961 2.327 1.00 0.00 C ATOM 568 C ARG A 37 -3.840 -7.725 3.197 1.00 0.00 C ATOM 569 O ARG A 37 -2.773 -7.112 3.188 1.00 0.00 O ATOM 570 CB ARG A 37 -2.783 -9.838 2.393 1.00 0.00 C ATOM 571 CG ARG A 37 -2.890 -11.129 1.597 1.00 0.00 C ATOM 572 CD ARG A 37 -1.621 -11.958 1.707 1.00 0.00 C ATOM 573 NE ARG A 37 -1.678 -13.163 0.883 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.665 -14.013 0.745 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.481 -13.793 1.376 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.796 -15.084 -0.025 1.00 0.00 N ATOM 0 H ARG A 37 -3.883 -7.693 0.665 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.886 -9.535 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.932 -9.265 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.577 -10.082 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.738 -11.711 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.085 -10.897 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.766 -11.353 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.461 -12.239 2.748 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.545 -13.364 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.587 -12.970 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.256 -14.447 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.675 -15.257 -0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.018 -15.735 -0.130 1.00 0.00 H new ATOM 590 N VAL A 38 -4.878 -7.358 3.942 1.00 0.00 N ATOM 591 CA VAL A 38 -4.815 -6.189 4.810 1.00 0.00 C ATOM 592 C VAL A 38 -4.804 -6.591 6.281 1.00 0.00 C ATOM 593 O VAL A 38 -5.765 -7.171 6.788 1.00 0.00 O ATOM 594 CB VAL A 38 -5.994 -5.226 4.545 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.311 -5.986 4.484 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.050 -4.133 5.603 1.00 0.00 C ATOM 0 H VAL A 38 -5.770 -7.852 3.962 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.883 -5.673 4.580 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.831 -4.752 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.126 -5.287 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.270 -6.720 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.481 -6.496 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.888 -3.468 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.181 -4.585 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.121 -3.563 5.586 1.00 0.00 H new ATOM 650 N TRP A 43 2.253 -3.099 6.920 1.00 0.00 N ATOM 651 CA TRP A 43 2.425 -3.131 5.471 1.00 0.00 C ATOM 652 C TRP A 43 1.248 -3.818 4.789 1.00 0.00 C ATOM 653 O TRP A 43 0.835 -4.909 5.184 1.00 0.00 O ATOM 654 CB TRP A 43 3.725 -3.846 5.104 1.00 0.00 C ATOM 655 CG TRP A 43 4.920 -2.944 5.118 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.741 -2.682 6.176 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.425 -2.182 4.017 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.727 -1.802 5.799 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.555 -1.483 4.478 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.031 -2.025 2.685 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.297 -0.639 3.654 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.769 -1.187 1.869 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.890 -0.505 2.356 1.00 0.00 C ATOM 0 HA TRP A 43 2.471 -2.100 5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.890 -4.667 5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.622 -4.286 4.112 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.632 -3.104 7.164 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.466 -1.445 6.404 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.168 -2.548 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.162 -0.110 4.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.475 -1.057 0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.445 0.141 1.692 1.00 0.00 H new ATOM 674 N TRP A 44 0.712 -3.169 3.760 1.00 0.00 N ATOM 675 CA TRP A 44 -0.414 -3.712 3.009 1.00 0.00 C ATOM 676 C TRP A 44 0.017 -4.091 1.595 1.00 0.00 C ATOM 677 O TRP A 44 0.669 -3.307 0.908 1.00 0.00 O ATOM 678 CB TRP A 44 -1.553 -2.691 2.942 1.00 0.00 C ATOM 679 CG TRP A 44 -2.193 -2.390 4.268 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.833 -2.873 5.495 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.316 -1.530 4.493 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.659 -2.363 6.465 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.578 -1.536 5.875 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.122 -0.754 3.656 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.615 -0.797 6.439 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.151 -0.020 4.218 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.389 -0.046 5.598 1.00 0.00 C ATOM 0 H TRP A 44 1.041 -2.263 3.426 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.765 -4.606 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.169 -1.763 2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.317 -3.061 2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.017 -3.557 5.675 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.599 -2.567 7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.945 -0.728 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.801 -0.816 7.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.782 0.583 3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.200 0.539 6.006 1.00 0.00 H new ATOM 698 N GLU A 45 -0.350 -5.293 1.168 1.00 0.00 N ATOM 699 CA GLU A 45 -0.002 -5.774 -0.166 1.00 0.00 C ATOM 700 C GLU A 45 -1.218 -5.760 -1.087 1.00 0.00 C ATOM 701 O GLU A 45 -2.345 -5.990 -0.646 1.00 0.00 O ATOM 702 CB GLU A 45 0.577 -7.189 -0.082 1.00 0.00 C ATOM 703 CG GLU A 45 1.028 -7.751 -1.421 1.00 0.00 C ATOM 704 CD GLU A 45 1.635 -9.135 -1.295 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.870 -10.122 -1.304 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.876 -9.231 -1.186 1.00 0.00 O ATOM 0 H GLU A 45 -0.890 -5.955 1.726 1.00 0.00 H new ATOM 0 HA GLU A 45 0.750 -5.104 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.425 -7.184 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.174 -7.853 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.176 -7.792 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.759 -7.076 -1.867 1.00 0.00 H new ATOM 713 N GLY A 46 -0.982 -5.491 -2.368 1.00 0.00 N ATOM 714 CA GLY A 46 -2.067 -5.447 -3.332 1.00 0.00 C ATOM 715 C GLY A 46 -1.581 -5.609 -4.759 1.00 0.00 C ATOM 716 O GLY A 46 -0.450 -6.037 -4.991 1.00 0.00 O ATOM 0 H GLY A 46 -0.058 -5.303 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.784 -6.236 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.595 -4.498 -3.237 1.00 0.00 H new ATOM 720 N THR A 47 -2.437 -5.264 -5.717 1.00 0.00 N ATOM 721 CA THR A 47 -2.089 -5.377 -7.129 1.00 0.00 C ATOM 722 C THR A 47 -2.387 -4.083 -7.881 1.00 0.00 C ATOM 723 O THR A 47 -3.344 -3.374 -7.567 1.00 0.00 O ATOM 724 CB THR A 47 -2.851 -6.535 -7.803 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.603 -7.759 -7.102 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.431 -6.686 -9.258 1.00 0.00 C ATOM 0 H THR A 47 -3.375 -4.904 -5.541 1.00 0.00 H new ATOM 0 HA THR A 47 -1.019 -5.578 -7.173 1.00 0.00 H new ATOM 0 HB THR A 47 -3.916 -6.306 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.092 -8.489 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.982 -7.509 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.647 -5.763 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.362 -6.893 -9.309 1.00 0.00 H new ATOM 734 N LEU A 48 -1.558 -3.786 -8.878 1.00 0.00 N ATOM 735 CA LEU A 48 -1.723 -2.585 -9.690 1.00 0.00 C ATOM 736 C LEU A 48 -1.203 -2.827 -11.107 1.00 0.00 C ATOM 737 O LEU A 48 -0.453 -3.774 -11.346 1.00 0.00 O ATOM 738 CB LEU A 48 -0.991 -1.400 -9.045 1.00 0.00 C ATOM 739 CG LEU A 48 -1.128 -0.060 -9.778 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.592 0.296 -9.986 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.420 1.046 -9.008 1.00 0.00 C ATOM 0 H LEU A 48 -0.761 -4.365 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.785 -2.346 -9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.362 -1.277 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.068 -1.647 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.657 -0.160 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.664 1.250 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.074 -0.480 -10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.089 0.373 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.528 1.989 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.862 1.139 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.638 0.803 -8.912 1.00 0.00 H new ATOM 753 N ASN A 49 -1.613 -1.975 -12.043 1.00 0.00 N ATOM 754 CA ASN A 49 -1.193 -2.101 -13.435 1.00 0.00 C ATOM 755 C ASN A 49 0.329 -2.094 -13.568 1.00 0.00 C ATOM 756 O ASN A 49 0.973 -1.053 -13.433 1.00 0.00 O ATOM 757 CB ASN A 49 -1.802 -0.978 -14.279 1.00 0.00 C ATOM 758 CG ASN A 49 -1.747 0.371 -13.588 1.00 0.00 C ATOM 759 OD1 ASN A 49 -0.836 0.649 -12.809 1.00 0.00 O ATOM 760 ND2 ASN A 49 -2.730 1.219 -13.869 1.00 0.00 N ATOM 0 H ASN A 49 -2.237 -1.189 -11.862 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.555 -3.061 -13.803 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.273 -0.916 -15.230 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.839 -1.223 -14.507 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.749 2.141 -13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.466 0.948 -14.521 1.00 0.00 H new ATOM 767 N GLY A 50 0.897 -3.268 -13.832 1.00 0.00 N ATOM 768 CA GLY A 50 2.336 -3.385 -13.989 1.00 0.00 C ATOM 769 C GLY A 50 3.089 -3.202 -12.685 1.00 0.00 C ATOM 770 O GLY A 50 4.320 -3.190 -12.670 1.00 0.00 O ATOM 0 H GLY A 50 0.384 -4.143 -13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.573 -4.364 -14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.680 -2.642 -14.708 1.00 0.00 H new ATOM 774 N ARG A 51 2.352 -3.062 -11.588 1.00 0.00 N ATOM 775 CA ARG A 51 2.962 -2.876 -10.276 1.00 0.00 C ATOM 776 C ARG A 51 2.323 -3.793 -9.238 1.00 0.00 C ATOM 777 O ARG A 51 1.150 -3.643 -8.901 1.00 0.00 O ATOM 778 CB ARG A 51 2.834 -1.415 -9.839 1.00 0.00 C ATOM 779 CG ARG A 51 3.628 -0.452 -10.705 1.00 0.00 C ATOM 780 CD ARG A 51 3.293 0.997 -10.383 1.00 0.00 C ATOM 781 NE ARG A 51 4.073 1.933 -11.190 1.00 0.00 N ATOM 782 CZ ARG A 51 3.820 3.238 -11.260 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.797 3.756 -10.594 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.587 4.025 -12.004 1.00 0.00 N ATOM 0 H ARG A 51 1.332 -3.074 -11.581 1.00 0.00 H new ATOM 0 HA ARG A 51 4.018 -3.135 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.783 -1.128 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.168 -1.322 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.694 -0.622 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.418 -0.650 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.230 1.170 -10.554 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.481 1.186 -9.326 1.00 0.00 H new ATOM 0 HE ARG A 51 4.856 1.565 -11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.201 3.154 -10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.606 4.756 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.371 3.630 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.392 5.025 -12.057 1.00 0.00 H new ATOM 798 N THR A 52 3.109 -4.740 -8.731 1.00 0.00 N ATOM 799 CA THR A 52 2.624 -5.686 -7.733 1.00 0.00 C ATOM 800 C THR A 52 3.628 -5.845 -6.594 1.00 0.00 C ATOM 801 O THR A 52 4.800 -6.145 -6.826 1.00 0.00 O ATOM 802 CB THR A 52 2.347 -7.068 -8.356 1.00 0.00 C ATOM 803 OG1 THR A 52 1.393 -6.944 -9.419 1.00 0.00 O ATOM 804 CG2 THR A 52 1.825 -8.041 -7.311 1.00 0.00 C ATOM 0 H THR A 52 4.085 -4.871 -8.996 1.00 0.00 H new ATOM 0 HA THR A 52 1.692 -5.281 -7.339 1.00 0.00 H new ATOM 0 HB THR A 52 3.285 -7.456 -8.752 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.223 -7.826 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.637 -9.009 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.565 -8.156 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.897 -7.656 -6.887 1.00 0.00 H new ATOM 812 N GLY A 53 3.160 -5.642 -5.364 1.00 0.00 N ATOM 813 CA GLY A 53 4.028 -5.766 -4.207 1.00 0.00 C ATOM 814 C GLY A 53 3.456 -5.085 -2.978 1.00 0.00 C ATOM 815 O GLY A 53 2.296 -4.673 -2.972 1.00 0.00 O ATOM 0 H GLY A 53 2.194 -5.394 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.192 -6.822 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.001 -5.333 -4.439 1.00 0.00 H new ATOM 819 N TRP A 54 4.273 -4.965 -1.935 1.00 0.00 N ATOM 820 CA TRP A 54 3.843 -4.332 -0.692 1.00 0.00 C ATOM 821 C TRP A 54 3.905 -2.810 -0.806 1.00 0.00 C ATOM 822 O TRP A 54 4.678 -2.269 -1.597 1.00 0.00 O ATOM 823 CB TRP A 54 4.718 -4.798 0.474 1.00 0.00 C ATOM 824 CG TRP A 54 4.615 -6.267 0.756 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.307 -7.271 0.141 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.774 -6.895 1.731 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.945 -8.487 0.673 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.005 -8.282 1.650 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.846 -6.420 2.663 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.343 -9.196 2.467 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.190 -7.328 3.472 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.441 -8.702 3.370 1.00 0.00 C ATOM 0 H TRP A 54 5.237 -5.298 -1.926 1.00 0.00 H new ATOM 0 HA TRP A 54 2.810 -4.626 -0.505 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.757 -4.551 0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.438 -4.245 1.370 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.032 -7.131 -0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.315 -9.393 0.387 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.646 -5.362 2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.535 -10.256 2.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.471 -6.972 4.195 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.912 -9.386 4.017 1.00 0.00 H new ATOM 843 N PHE A 55 3.085 -2.127 -0.011 1.00 0.00 N ATOM 844 CA PHE A 55 3.051 -0.669 -0.012 1.00 0.00 C ATOM 845 C PHE A 55 2.676 -0.141 1.373 1.00 0.00 C ATOM 846 O PHE A 55 1.873 -0.755 2.077 1.00 0.00 O ATOM 847 CB PHE A 55 2.066 -0.150 -1.064 1.00 0.00 C ATOM 848 CG PHE A 55 0.674 -0.705 -0.931 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.239 -0.121 -0.068 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.280 -1.807 -1.672 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.520 -0.626 0.055 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.000 -2.317 -1.553 1.00 0.00 C ATOM 853 CZ PHE A 55 -1.900 -1.726 -0.688 1.00 0.00 C ATOM 0 H PHE A 55 2.434 -2.562 0.643 1.00 0.00 H new ATOM 0 HA PHE A 55 4.047 -0.306 -0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.020 0.937 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.449 -0.393 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.054 0.739 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.980 -2.273 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.222 -0.161 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.296 -3.177 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.900 -2.124 -0.593 1.00 0.00 H new ATOM 863 N PRO A 56 3.251 1.005 1.786 1.00 0.00 N ATOM 864 CA PRO A 56 2.972 1.595 3.100 1.00 0.00 C ATOM 865 C PRO A 56 1.492 1.894 3.297 1.00 0.00 C ATOM 866 O PRO A 56 0.791 2.247 2.349 1.00 0.00 O ATOM 867 CB PRO A 56 3.788 2.895 3.105 1.00 0.00 C ATOM 868 CG PRO A 56 4.104 3.165 1.673 1.00 0.00 C ATOM 869 CD PRO A 56 4.201 1.821 1.012 1.00 0.00 C ATOM 0 HA PRO A 56 3.237 0.915 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.219 3.715 3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.698 2.786 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.327 3.773 1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.040 3.716 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.928 1.868 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.213 1.419 1.061 1.00 0.00 H new ATOM 877 N SER A 57 1.024 1.749 4.532 1.00 0.00 N ATOM 878 CA SER A 57 -0.375 2.001 4.858 1.00 0.00 C ATOM 879 C SER A 57 -0.585 3.456 5.259 1.00 0.00 C ATOM 880 O SER A 57 -1.718 3.936 5.321 1.00 0.00 O ATOM 881 CB SER A 57 -0.831 1.078 5.988 1.00 0.00 C ATOM 882 OG SER A 57 -0.062 1.287 7.158 1.00 0.00 O ATOM 0 H SER A 57 1.595 1.458 5.326 1.00 0.00 H new ATOM 0 HA SER A 57 -0.972 1.798 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.884 1.256 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.742 0.039 5.671 1.00 0.00 H new ATOM 0 HG SER A 57 -0.374 0.686 7.866 1.00 0.00 H new ATOM 888 N ASN A 58 0.513 4.153 5.531 1.00 0.00 N ATOM 889 CA ASN A 58 0.452 5.556 5.927 1.00 0.00 C ATOM 890 C ASN A 58 0.406 6.467 4.705 1.00 0.00 C ATOM 891 O ASN A 58 -0.059 7.605 4.783 1.00 0.00 O ATOM 892 CB ASN A 58 1.658 5.914 6.798 1.00 0.00 C ATOM 893 CG ASN A 58 1.754 5.048 8.038 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.745 4.565 8.553 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.973 4.849 8.528 1.00 0.00 N ATOM 0 H ASN A 58 1.457 3.769 5.485 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.462 5.705 6.502 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.571 5.806 6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.591 6.961 7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.100 4.277 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.782 5.268 8.069 1.00 0.00 H new ATOM 902 N TYR A 59 0.890 5.960 3.576 1.00 0.00 N ATOM 903 CA TYR A 59 0.905 6.729 2.337 1.00 0.00 C ATOM 904 C TYR A 59 -0.341 6.454 1.505 1.00 0.00 C ATOM 905 O TYR A 59 -0.528 7.039 0.440 1.00 0.00 O ATOM 906 CB TYR A 59 2.158 6.401 1.524 1.00 0.00 C ATOM 907 CG TYR A 59 3.354 7.258 1.875 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.752 7.429 3.196 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.082 7.900 0.881 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.843 8.214 3.515 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.174 8.687 1.193 1.00 0.00 C ATOM 912 CZ TYR A 59 5.550 8.841 2.511 1.00 0.00 C ATOM 913 OH TYR A 59 6.637 9.624 2.825 1.00 0.00 O ATOM 0 H TYR A 59 1.277 5.020 3.493 1.00 0.00 H new ATOM 0 HA TYR A 59 0.915 7.787 2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.416 5.353 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.934 6.522 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.200 6.941 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.790 7.782 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.141 8.336 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.730 9.179 0.409 1.00 0.00 H new ATOM 0 HH TYR A 59 7.024 9.992 2.003 1.00 0.00 H new ATOM 923 N VAL A 60 -1.187 5.554 1.993 1.00 0.00 N ATOM 924 CA VAL A 60 -2.418 5.208 1.295 1.00 0.00 C ATOM 925 C VAL A 60 -3.615 5.256 2.240 1.00 0.00 C ATOM 926 O VAL A 60 -3.511 4.878 3.407 1.00 0.00 O ATOM 927 CB VAL A 60 -2.324 3.813 0.649 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.225 3.785 -0.401 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.086 2.744 1.705 1.00 0.00 C ATOM 0 H VAL A 60 -1.043 5.051 2.869 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.559 5.947 0.507 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.273 3.599 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.173 2.792 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.443 4.520 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.269 4.024 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.023 1.767 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.153 2.952 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.911 2.746 2.417 1.00 0.00 H new ATOM 939 N ARG A 61 -4.750 5.725 1.730 1.00 0.00 N ATOM 940 CA ARG A 61 -5.962 5.830 2.536 1.00 0.00 C ATOM 941 C ARG A 61 -7.135 5.129 1.857 1.00 0.00 C ATOM 942 O ARG A 61 -7.287 5.190 0.637 1.00 0.00 O ATOM 943 CB ARG A 61 -6.306 7.299 2.787 1.00 0.00 C ATOM 944 CG ARG A 61 -6.511 8.100 1.512 1.00 0.00 C ATOM 945 CD ARG A 61 -6.887 9.542 1.811 1.00 0.00 C ATOM 946 NE ARG A 61 -7.013 10.339 0.593 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.192 11.656 0.588 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.266 12.324 1.731 1.00 0.00 N ATOM 949 NH2 ARG A 61 -7.297 12.307 -0.563 1.00 0.00 N ATOM 0 H ARG A 61 -4.856 6.038 0.765 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.775 5.338 3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.212 7.354 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.507 7.757 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.598 8.077 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.294 7.636 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.829 9.565 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.131 9.987 2.459 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.961 9.857 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.185 11.827 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.403 13.335 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.240 11.797 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.434 13.318 -0.567 1.00 0.00 H new ATOM 963 N GLU A 62 -7.960 4.467 2.662 1.00 0.00 N ATOM 964 CA GLU A 62 -9.122 3.746 2.153 1.00 0.00 C ATOM 965 C GLU A 62 -10.011 4.657 1.311 1.00 0.00 C ATOM 966 O GLU A 62 -10.579 5.626 1.816 1.00 0.00 O ATOM 967 CB GLU A 62 -9.927 3.159 3.313 1.00 0.00 C ATOM 968 CG GLU A 62 -11.101 2.303 2.868 1.00 0.00 C ATOM 969 CD GLU A 62 -11.916 1.781 4.035 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.538 0.732 4.600 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.930 2.420 4.384 1.00 0.00 O ATOM 0 H GLU A 62 -7.845 4.415 3.674 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.764 2.936 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.265 2.557 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.297 3.973 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.745 2.889 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.731 1.461 2.282 1.00 0.00 H new ATOM 978 N VAL A 63 -10.123 4.338 0.025 1.00 0.00 N ATOM 979 CA VAL A 63 -10.944 5.122 -0.889 1.00 0.00 C ATOM 980 C VAL A 63 -12.280 4.433 -1.153 1.00 0.00 C ATOM 981 O VAL A 63 -12.344 3.208 -1.265 1.00 0.00 O ATOM 982 CB VAL A 63 -10.215 5.363 -2.227 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.911 4.045 -2.922 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.032 6.277 -3.127 1.00 0.00 C ATOM 0 H VAL A 63 -9.655 3.541 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.129 6.084 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.267 5.857 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.397 4.240 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.275 3.434 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.843 3.515 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.500 6.434 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.999 5.817 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.183 7.236 -2.631 1.00 0.00 H new