USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 444 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 8 ASN :FLIP amide:sc= 0.934 F(o=-0.57,f=0.93) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.8!) USER MOD Single : A 26 MET CE :methyl 153:sc= -2.01! (180deg=-2.82) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.52! C(o=-1.5!,f=-2.5!) USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= 0.781 (180deg=0.26) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0184 K(o=-0.018,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.8!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.533 -10.583 -2.504 1.00 0.00 N ATOM 67 CA ASN A 8 3.368 -9.744 -1.651 1.00 0.00 C ATOM 68 C ASN A 8 2.513 -8.788 -0.825 1.00 0.00 C ATOM 69 O ASN A 8 1.709 -8.029 -1.367 1.00 0.00 O ATOM 70 CB ASN A 8 4.365 -8.952 -2.498 1.00 0.00 C ATOM 71 CG ASN A 8 5.235 -9.849 -3.357 1.00 0.00 C ATOM 72 OD1 ASN A 8 6.405 -9.349 -3.738 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 4.860 -10.978 -3.674 1.00 0.00 N flip ATOM 0 HA ASN A 8 3.917 -10.394 -0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.822 -8.256 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.999 -8.354 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.953 -11.321 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.456 -11.570 -4.252 1.00 0.00 H new ATOM 80 N THR A 9 2.692 -8.831 0.492 1.00 0.00 N ATOM 81 CA THR A 9 1.938 -7.970 1.394 1.00 0.00 C ATOM 82 C THR A 9 2.807 -6.837 1.929 1.00 0.00 C ATOM 83 O THR A 9 4.017 -6.996 2.096 1.00 0.00 O ATOM 84 CB THR A 9 1.364 -8.765 2.582 1.00 0.00 C ATOM 85 OG1 THR A 9 0.683 -9.932 2.107 1.00 0.00 O ATOM 86 CG2 THR A 9 0.406 -7.908 3.395 1.00 0.00 C ATOM 0 H THR A 9 3.353 -9.453 0.957 1.00 0.00 H new ATOM 0 HA THR A 9 1.115 -7.551 0.815 1.00 0.00 H new ATOM 0 HB THR A 9 2.192 -9.064 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.322 -10.433 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.014 -8.491 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.935 -7.036 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.418 -7.582 2.761 1.00 0.00 H new ATOM 94 N TYR A 10 2.184 -5.695 2.195 1.00 0.00 N ATOM 95 CA TYR A 10 2.902 -4.535 2.710 1.00 0.00 C ATOM 96 C TYR A 10 2.084 -3.817 3.779 1.00 0.00 C ATOM 97 O TYR A 10 0.897 -3.547 3.592 1.00 0.00 O ATOM 98 CB TYR A 10 3.234 -3.568 1.571 1.00 0.00 C ATOM 99 CG TYR A 10 4.220 -4.127 0.571 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.856 -5.147 -0.299 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.517 -3.633 0.495 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.754 -5.661 -1.214 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.422 -4.140 -0.418 1.00 0.00 C ATOM 104 CZ TYR A 10 6.036 -5.154 -1.270 1.00 0.00 C ATOM 105 OH TYR A 10 6.933 -5.662 -2.181 1.00 0.00 O ATOM 0 H TYR A 10 1.183 -5.547 2.063 1.00 0.00 H new ATOM 0 HA TYR A 10 3.829 -4.886 3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.313 -3.302 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.639 -2.648 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.853 -5.545 -0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.823 -2.839 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.454 -6.455 -1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.426 -3.745 -0.464 1.00 0.00 H new ATOM 0 HH TYR A 10 7.790 -5.195 -2.091 1.00 0.00 H new ATOM 115 N VAL A 11 2.727 -3.511 4.901 1.00 0.00 N ATOM 116 CA VAL A 11 2.061 -2.823 6.001 1.00 0.00 C ATOM 117 C VAL A 11 2.297 -1.319 5.931 1.00 0.00 C ATOM 118 O VAL A 11 3.374 -0.866 5.545 1.00 0.00 O ATOM 119 CB VAL A 11 2.547 -3.345 7.366 1.00 0.00 C ATOM 120 CG1 VAL A 11 4.017 -3.013 7.572 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.699 -2.768 8.489 1.00 0.00 C ATOM 0 H VAL A 11 3.709 -3.729 5.073 1.00 0.00 H new ATOM 0 HA VAL A 11 0.995 -3.026 5.902 1.00 0.00 H new ATOM 0 HB VAL A 11 2.439 -4.430 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.343 -3.390 8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.609 -3.479 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.154 -1.932 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.056 -3.147 9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.773 -1.681 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.659 -3.062 8.347 1.00 0.00 H new ATOM 131 N ALA A 12 1.282 -0.548 6.308 1.00 0.00 N ATOM 132 CA ALA A 12 1.379 0.906 6.291 1.00 0.00 C ATOM 133 C ALA A 12 2.067 1.425 7.549 1.00 0.00 C ATOM 134 O ALA A 12 1.637 1.139 8.667 1.00 0.00 O ATOM 135 CB ALA A 12 -0.003 1.526 6.149 1.00 0.00 C ATOM 0 H ALA A 12 0.383 -0.907 6.629 1.00 0.00 H new ATOM 0 HA ALA A 12 1.984 1.195 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.085 2.612 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.459 1.189 5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.627 1.221 6.989 1.00 0.00 H new ATOM 141 N LEU A 13 3.138 2.189 7.360 1.00 0.00 N ATOM 142 CA LEU A 13 3.887 2.747 8.480 1.00 0.00 C ATOM 143 C LEU A 13 3.200 3.996 9.026 1.00 0.00 C ATOM 144 O LEU A 13 3.084 4.173 10.239 1.00 0.00 O ATOM 145 CB LEU A 13 5.314 3.085 8.047 1.00 0.00 C ATOM 146 CG LEU A 13 6.095 1.958 7.370 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.295 2.515 6.620 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.537 0.924 8.396 1.00 0.00 C ATOM 0 H LEU A 13 3.507 2.436 6.442 1.00 0.00 H new ATOM 0 HA LEU A 13 3.922 1.998 9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.274 3.933 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.872 3.410 8.926 1.00 0.00 H new ATOM 0 HG LEU A 13 5.439 1.469 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.838 1.698 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.954 3.216 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.954 3.031 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.091 0.130 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.176 1.400 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.661 0.501 8.887 1.00 0.00 H new ATOM 160 N TYR A 14 2.745 4.857 8.122 1.00 0.00 N ATOM 161 CA TYR A 14 2.070 6.088 8.513 1.00 0.00 C ATOM 162 C TYR A 14 0.798 6.295 7.696 1.00 0.00 C ATOM 163 O TYR A 14 0.617 5.687 6.641 1.00 0.00 O ATOM 164 CB TYR A 14 3.004 7.286 8.333 1.00 0.00 C ATOM 165 CG TYR A 14 4.454 6.972 8.629 1.00 0.00 C ATOM 166 CD1 TYR A 14 4.955 7.065 9.922 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.321 6.583 7.616 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.279 6.780 10.196 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.646 6.295 7.882 1.00 0.00 C ATOM 170 CZ TYR A 14 7.120 6.395 9.173 1.00 0.00 C ATOM 171 OH TYR A 14 8.439 6.110 9.442 1.00 0.00 O ATOM 0 H TYR A 14 2.832 4.725 7.114 1.00 0.00 H new ATOM 0 HA TYR A 14 1.796 6.003 9.565 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.921 7.650 7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.675 8.094 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.299 7.365 10.726 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.953 6.504 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.653 6.858 11.206 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.307 5.993 7.083 1.00 0.00 H new ATOM 0 HH TYR A 14 8.894 5.854 8.613 1.00 0.00 H new ATOM 181 N LYS A 15 -0.082 7.158 8.191 1.00 0.00 N ATOM 182 CA LYS A 15 -1.337 7.449 7.509 1.00 0.00 C ATOM 183 C LYS A 15 -1.101 8.329 6.286 1.00 0.00 C ATOM 184 O LYS A 15 -0.356 9.308 6.348 1.00 0.00 O ATOM 185 CB LYS A 15 -2.314 8.138 8.465 1.00 0.00 C ATOM 186 CG LYS A 15 -3.546 8.698 7.776 1.00 0.00 C ATOM 187 CD LYS A 15 -4.499 9.339 8.772 1.00 0.00 C ATOM 188 CE LYS A 15 -5.286 10.475 8.138 1.00 0.00 C ATOM 189 NZ LYS A 15 -4.574 11.777 8.255 1.00 0.00 N ATOM 0 H LYS A 15 0.051 7.669 9.064 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.768 6.504 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.627 7.425 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.796 8.948 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.244 9.436 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.060 7.899 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.188 8.586 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.935 9.717 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.463 10.251 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.263 10.551 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.143 12.525 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.428 12.004 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.653 11.713 7.777 1.00 0.00 H new ATOM 203 N PHE A 16 -1.739 7.976 5.176 1.00 0.00 N ATOM 204 CA PHE A 16 -1.598 8.734 3.938 1.00 0.00 C ATOM 205 C PHE A 16 -2.871 9.519 3.633 1.00 0.00 C ATOM 206 O PHE A 16 -3.978 8.990 3.731 1.00 0.00 O ATOM 207 CB PHE A 16 -1.273 7.796 2.774 1.00 0.00 C ATOM 208 CG PHE A 16 -0.852 8.515 1.524 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.797 9.087 0.688 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.487 8.618 1.186 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.412 9.748 -0.464 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.878 9.279 0.036 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.073 9.845 -0.789 1.00 0.00 C ATOM 0 H PHE A 16 -2.359 7.169 5.108 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.778 9.440 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.477 7.115 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.149 7.185 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.845 9.016 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.235 8.177 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.158 10.188 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.926 9.352 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.229 10.363 -1.687 1.00 0.00 H new ATOM 223 N VAL A 17 -2.705 10.785 3.264 1.00 0.00 N ATOM 224 CA VAL A 17 -3.839 11.643 2.944 1.00 0.00 C ATOM 225 C VAL A 17 -3.898 11.941 1.450 1.00 0.00 C ATOM 226 O VAL A 17 -3.283 12.886 0.955 1.00 0.00 O ATOM 227 CB VAL A 17 -3.773 12.973 3.719 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.951 13.862 3.355 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.733 12.713 5.218 1.00 0.00 C ATOM 0 H VAL A 17 -1.796 11.239 3.179 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.738 11.103 3.240 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.857 13.493 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.887 14.797 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.930 14.075 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.882 13.353 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.687 13.663 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.631 12.172 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.853 12.117 5.461 1.00 0.00 H new ATOM 239 N PRO A 18 -4.657 11.117 0.712 1.00 0.00 N ATOM 240 CA PRO A 18 -4.816 11.273 -0.737 1.00 0.00 C ATOM 241 C PRO A 18 -5.631 12.509 -1.101 1.00 0.00 C ATOM 242 O PRO A 18 -6.828 12.577 -0.825 1.00 0.00 O ATOM 243 CB PRO A 18 -5.560 10.001 -1.151 1.00 0.00 C ATOM 244 CG PRO A 18 -6.289 9.572 0.076 1.00 0.00 C ATOM 245 CD PRO A 18 -5.418 9.971 1.235 1.00 0.00 C ATOM 0 HA PRO A 18 -3.858 11.406 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.249 10.195 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.868 9.230 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.265 10.052 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.463 8.496 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.011 10.247 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.760 9.158 1.541 1.00 0.00 H new ATOM 253 N GLN A 19 -4.975 13.483 -1.723 1.00 0.00 N ATOM 254 CA GLN A 19 -5.641 14.717 -2.124 1.00 0.00 C ATOM 255 C GLN A 19 -6.691 14.445 -3.196 1.00 0.00 C ATOM 256 O GLN A 19 -7.765 15.047 -3.192 1.00 0.00 O ATOM 257 CB GLN A 19 -4.617 15.728 -2.643 1.00 0.00 C ATOM 258 CG GLN A 19 -3.918 15.287 -3.919 1.00 0.00 C ATOM 259 CD GLN A 19 -2.803 16.228 -4.330 1.00 0.00 C ATOM 260 OE1 GLN A 19 -1.653 16.061 -3.924 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.138 17.226 -5.139 1.00 0.00 N ATOM 0 H GLN A 19 -3.984 13.442 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.140 15.132 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.118 16.679 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.868 15.903 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.510 14.286 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.649 15.222 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.104 17.327 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.430 17.892 -5.448 1.00 0.00 H new ATOM 270 N GLU A 20 -6.374 13.535 -4.111 1.00 0.00 N ATOM 271 CA GLU A 20 -7.292 13.184 -5.189 1.00 0.00 C ATOM 272 C GLU A 20 -7.510 11.675 -5.249 1.00 0.00 C ATOM 273 O GLU A 20 -6.680 10.899 -4.778 1.00 0.00 O ATOM 274 CB GLU A 20 -6.754 13.687 -6.530 1.00 0.00 C ATOM 275 CG GLU A 20 -6.934 15.182 -6.736 1.00 0.00 C ATOM 276 CD GLU A 20 -7.019 15.563 -8.201 1.00 0.00 C ATOM 277 OE1 GLU A 20 -5.979 15.513 -8.890 1.00 0.00 O ATOM 278 OE2 GLU A 20 -8.128 15.911 -8.660 1.00 0.00 O ATOM 0 H GLU A 20 -5.489 13.028 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.250 13.664 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.694 13.444 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.258 13.154 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.840 15.509 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.100 15.711 -6.275 1.00 0.00 H new ATOM 285 N ASN A 21 -8.632 11.268 -5.833 1.00 0.00 N ATOM 286 CA ASN A 21 -8.961 9.852 -5.954 1.00 0.00 C ATOM 287 C ASN A 21 -7.727 9.038 -6.330 1.00 0.00 C ATOM 288 O ASN A 21 -7.447 8.003 -5.727 1.00 0.00 O ATOM 289 CB ASN A 21 -10.058 9.650 -7.002 1.00 0.00 C ATOM 290 CG ASN A 21 -10.864 8.389 -6.758 1.00 0.00 C ATOM 291 OD1 ASN A 21 -10.657 7.688 -5.768 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.788 8.094 -7.665 1.00 0.00 N ATOM 0 H ASN A 21 -9.329 11.898 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.323 9.504 -4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.726 10.512 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.606 9.603 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.361 7.257 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.925 8.704 -8.471 1.00 0.00 H new ATOM 299 N GLU A 22 -6.992 9.515 -7.330 1.00 0.00 N ATOM 300 CA GLU A 22 -5.788 8.830 -7.786 1.00 0.00 C ATOM 301 C GLU A 22 -5.026 8.227 -6.610 1.00 0.00 C ATOM 302 O GLU A 22 -4.666 7.050 -6.627 1.00 0.00 O ATOM 303 CB GLU A 22 -4.883 9.798 -8.552 1.00 0.00 C ATOM 304 CG GLU A 22 -5.518 10.355 -9.815 1.00 0.00 C ATOM 305 CD GLU A 22 -5.660 9.311 -10.906 1.00 0.00 C ATOM 306 OE1 GLU A 22 -6.255 8.247 -10.635 1.00 0.00 O ATOM 307 OE2 GLU A 22 -5.176 9.559 -12.030 1.00 0.00 O ATOM 0 H GLU A 22 -7.209 10.372 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.091 8.022 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.613 10.625 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.958 9.285 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.501 10.760 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.914 11.183 -10.186 1.00 0.00 H new ATOM 314 N ASP A 23 -4.784 9.043 -5.589 1.00 0.00 N ATOM 315 CA ASP A 23 -4.065 8.591 -4.403 1.00 0.00 C ATOM 316 C ASP A 23 -4.914 7.617 -3.592 1.00 0.00 C ATOM 317 O ASP A 23 -6.128 7.530 -3.779 1.00 0.00 O ATOM 318 CB ASP A 23 -3.669 9.787 -3.535 1.00 0.00 C ATOM 319 CG ASP A 23 -2.675 10.699 -4.226 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.058 11.350 -5.221 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.513 10.763 -3.772 1.00 0.00 O ATOM 0 H ASP A 23 -5.075 10.020 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.163 8.074 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.562 10.356 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.239 9.427 -2.600 1.00 0.00 H new ATOM 326 N LEU A 24 -4.267 6.885 -2.692 1.00 0.00 N ATOM 327 CA LEU A 24 -4.961 5.915 -1.852 1.00 0.00 C ATOM 328 C LEU A 24 -4.766 6.236 -0.374 1.00 0.00 C ATOM 329 O LEU A 24 -3.660 6.555 0.060 1.00 0.00 O ATOM 330 CB LEU A 24 -4.459 4.501 -2.150 1.00 0.00 C ATOM 331 CG LEU A 24 -4.511 3.512 -0.985 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.944 3.080 -0.715 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.633 2.303 -1.272 1.00 0.00 C ATOM 0 H LEU A 24 -3.263 6.945 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.026 5.971 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.047 4.094 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.428 4.569 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.129 4.010 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.961 2.376 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.546 3.953 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.353 2.600 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.682 1.610 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.985 1.804 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.602 2.628 -1.415 1.00 0.00 H new ATOM 345 N GLU A 25 -5.848 6.148 0.393 1.00 0.00 N ATOM 346 CA GLU A 25 -5.794 6.429 1.823 1.00 0.00 C ATOM 347 C GLU A 25 -5.445 5.169 2.612 1.00 0.00 C ATOM 348 O GLU A 25 -6.065 4.121 2.434 1.00 0.00 O ATOM 349 CB GLU A 25 -7.133 6.991 2.306 1.00 0.00 C ATOM 350 CG GLU A 25 -7.093 7.519 3.730 1.00 0.00 C ATOM 351 CD GLU A 25 -8.371 8.234 4.123 1.00 0.00 C ATOM 352 OE1 GLU A 25 -8.621 9.336 3.591 1.00 0.00 O ATOM 353 OE2 GLU A 25 -9.121 7.693 4.962 1.00 0.00 O ATOM 0 H GLU A 25 -6.771 5.885 0.049 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.014 7.171 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.442 7.795 1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.891 6.211 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.919 6.690 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.251 8.203 3.836 1.00 0.00 H new ATOM 360 N MET A 26 -4.448 5.281 3.483 1.00 0.00 N ATOM 361 CA MET A 26 -4.016 4.153 4.299 1.00 0.00 C ATOM 362 C MET A 26 -3.715 4.598 5.726 1.00 0.00 C ATOM 363 O MET A 26 -3.454 5.774 5.977 1.00 0.00 O ATOM 364 CB MET A 26 -2.778 3.496 3.685 1.00 0.00 C ATOM 365 CG MET A 26 -1.779 4.492 3.119 1.00 0.00 C ATOM 366 SD MET A 26 -0.415 3.691 2.253 1.00 0.00 S ATOM 367 CE MET A 26 0.958 4.726 2.756 1.00 0.00 C ATOM 0 H MET A 26 -3.924 6.142 3.642 1.00 0.00 H new ATOM 0 HA MET A 26 -4.828 3.426 4.328 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.284 2.890 4.445 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.092 2.818 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.293 5.167 2.434 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.381 5.102 3.930 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.880 4.145 2.730 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.044 5.573 2.075 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.787 5.091 3.769 1.00 0.00 H new ATOM 377 N ARG A 27 -3.752 3.650 6.657 1.00 0.00 N ATOM 378 CA ARG A 27 -3.485 3.945 8.060 1.00 0.00 C ATOM 379 C ARG A 27 -2.320 3.108 8.579 1.00 0.00 C ATOM 380 O ARG A 27 -2.045 2.012 8.090 1.00 0.00 O ATOM 381 CB ARG A 27 -4.733 3.684 8.905 1.00 0.00 C ATOM 382 CG ARG A 27 -4.999 2.209 9.158 1.00 0.00 C ATOM 383 CD ARG A 27 -5.852 2.001 10.399 1.00 0.00 C ATOM 384 NE ARG A 27 -7.275 2.182 10.122 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.168 2.512 11.048 1.00 0.00 C ATOM 386 NH1 ARG A 27 -7.788 2.696 12.305 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.445 2.659 10.718 1.00 0.00 N ATOM 0 H ARG A 27 -3.964 2.671 6.465 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.216 4.998 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.627 4.195 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.598 4.120 8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.501 1.775 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.052 1.682 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.684 0.998 10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.542 2.702 11.174 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.601 2.048 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.808 2.584 12.563 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.476 2.949 13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.742 2.518 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.130 2.912 11.430 1.00 0.00 H new ATOM 401 N PRO A 28 -1.618 3.634 9.594 1.00 0.00 N ATOM 402 CA PRO A 28 -0.472 2.951 10.202 1.00 0.00 C ATOM 403 C PRO A 28 -0.887 1.719 10.999 1.00 0.00 C ATOM 404 O PRO A 28 -1.146 1.802 12.199 1.00 0.00 O ATOM 405 CB PRO A 28 0.122 4.014 11.130 1.00 0.00 C ATOM 406 CG PRO A 28 -1.019 4.916 11.452 1.00 0.00 C ATOM 407 CD PRO A 28 -1.890 4.936 10.226 1.00 0.00 C ATOM 0 HA PRO A 28 0.227 2.581 9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.538 3.565 12.032 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.931 4.558 10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.572 4.552 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.667 5.918 11.697 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.944 5.046 10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.635 5.765 9.565 1.00 0.00 H new ATOM 415 N GLY A 29 -0.949 0.576 10.323 1.00 0.00 N ATOM 416 CA GLY A 29 -1.333 -0.657 10.985 1.00 0.00 C ATOM 417 C GLY A 29 -2.208 -1.535 10.113 1.00 0.00 C ATOM 418 O GLY A 29 -2.547 -2.657 10.492 1.00 0.00 O ATOM 0 H GLY A 29 -0.740 0.482 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.436 -1.209 11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.865 -0.421 11.907 1.00 0.00 H new ATOM 422 N ASP A 30 -2.577 -1.025 8.943 1.00 0.00 N ATOM 423 CA ASP A 30 -3.419 -1.770 8.015 1.00 0.00 C ATOM 424 C ASP A 30 -2.571 -2.637 7.089 1.00 0.00 C ATOM 425 O ASP A 30 -1.349 -2.500 7.041 1.00 0.00 O ATOM 426 CB ASP A 30 -4.279 -0.811 7.190 1.00 0.00 C ATOM 427 CG ASP A 30 -5.613 -0.519 7.848 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.701 -0.633 9.089 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.569 -0.176 7.122 1.00 0.00 O ATOM 0 H ASP A 30 -2.306 -0.098 8.615 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.071 -2.421 8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.737 0.123 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.450 -1.239 6.202 1.00 0.00 H new ATOM 434 N ILE A 31 -3.229 -3.529 6.356 1.00 0.00 N ATOM 435 CA ILE A 31 -2.536 -4.418 5.432 1.00 0.00 C ATOM 436 C ILE A 31 -2.899 -4.098 3.985 1.00 0.00 C ATOM 437 O ILE A 31 -4.049 -4.258 3.574 1.00 0.00 O ATOM 438 CB ILE A 31 -2.866 -5.895 5.718 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.571 -6.232 7.181 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.074 -6.803 4.789 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.107 -6.115 7.545 1.00 0.00 C ATOM 0 H ILE A 31 -4.241 -3.655 6.384 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.468 -4.258 5.580 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.928 -6.057 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.151 -5.568 7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.908 -7.248 7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.317 -7.844 5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.329 -6.576 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.007 -6.641 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.972 -6.368 8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.523 -6.799 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.770 -5.093 7.372 1.00 0.00 H new ATOM 453 N ILE A 32 -1.911 -3.649 3.219 1.00 0.00 N ATOM 454 CA ILE A 32 -2.126 -3.310 1.818 1.00 0.00 C ATOM 455 C ILE A 32 -1.664 -4.439 0.902 1.00 0.00 C ATOM 456 O ILE A 32 -0.666 -5.107 1.175 1.00 0.00 O ATOM 457 CB ILE A 32 -1.385 -2.016 1.431 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.927 -0.833 2.237 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.521 -1.754 -0.061 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.197 -0.607 3.543 1.00 0.00 C ATOM 0 H ILE A 32 -0.954 -3.512 3.545 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.198 -3.157 1.692 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.327 -2.136 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.859 0.071 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.984 -0.999 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.992 -0.836 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.093 -2.588 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.575 -1.650 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.634 0.247 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.286 -1.495 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.144 -0.409 3.342 1.00 0.00 H new ATOM 472 N THR A 33 -2.396 -4.647 -0.188 1.00 0.00 N ATOM 473 CA THR A 33 -2.062 -5.694 -1.145 1.00 0.00 C ATOM 474 C THR A 33 -1.410 -5.111 -2.393 1.00 0.00 C ATOM 475 O THR A 33 -2.062 -4.432 -3.187 1.00 0.00 O ATOM 476 CB THR A 33 -3.311 -6.496 -1.559 1.00 0.00 C ATOM 477 OG1 THR A 33 -3.916 -7.091 -0.406 1.00 0.00 O ATOM 478 CG2 THR A 33 -2.950 -7.578 -2.565 1.00 0.00 C ATOM 0 H THR A 33 -3.225 -4.104 -0.430 1.00 0.00 H new ATOM 0 HA THR A 33 -1.358 -6.362 -0.649 1.00 0.00 H new ATOM 0 HB THR A 33 -4.018 -5.810 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.710 -7.597 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.847 -8.131 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.517 -7.119 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.226 -8.261 -2.121 1.00 0.00 H new ATOM 486 N LEU A 34 -0.120 -5.380 -2.561 1.00 0.00 N ATOM 487 CA LEU A 34 0.622 -4.882 -3.714 1.00 0.00 C ATOM 488 C LEU A 34 0.086 -5.487 -5.008 1.00 0.00 C ATOM 489 O LEU A 34 0.306 -6.665 -5.293 1.00 0.00 O ATOM 490 CB LEU A 34 2.110 -5.203 -3.566 1.00 0.00 C ATOM 491 CG LEU A 34 3.067 -4.349 -4.399 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.028 -2.900 -3.939 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.483 -4.899 -4.314 1.00 0.00 C ATOM 0 H LEU A 34 0.434 -5.940 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 34 0.493 -3.801 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.381 -5.097 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.264 -6.249 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 34 2.745 -4.387 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.715 -2.308 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.017 -2.509 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.324 -2.843 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.151 -4.279 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.815 -4.891 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.500 -5.921 -4.693 1.00 0.00 H new ATOM 505 N LEU A 35 -0.616 -4.673 -5.789 1.00 0.00 N ATOM 506 CA LEU A 35 -1.181 -5.126 -7.055 1.00 0.00 C ATOM 507 C LEU A 35 -0.232 -4.830 -8.212 1.00 0.00 C ATOM 508 O LEU A 35 0.196 -5.738 -8.924 1.00 0.00 O ATOM 509 CB LEU A 35 -2.532 -4.453 -7.303 1.00 0.00 C ATOM 510 CG LEU A 35 -3.553 -4.560 -6.170 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.761 -3.681 -6.456 1.00 0.00 C ATOM 512 CD2 LEU A 35 -3.979 -6.007 -5.970 1.00 0.00 C ATOM 0 H LEU A 35 -0.807 -3.696 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.325 -6.205 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.357 -3.397 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.971 -4.885 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.084 -4.210 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.477 -3.770 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.442 -2.643 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.231 -4.000 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.706 -6.064 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.429 -6.384 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.107 -6.611 -5.719 1.00 0.00 H new ATOM 524 N GLU A 36 0.093 -3.554 -8.392 1.00 0.00 N ATOM 525 CA GLU A 36 0.993 -3.139 -9.462 1.00 0.00 C ATOM 526 C GLU A 36 2.326 -2.657 -8.897 1.00 0.00 C ATOM 527 O GLU A 36 2.367 -1.755 -8.060 1.00 0.00 O ATOM 528 CB GLU A 36 0.350 -2.030 -10.298 1.00 0.00 C ATOM 529 CG GLU A 36 0.915 -1.923 -11.705 1.00 0.00 C ATOM 530 CD GLU A 36 0.311 -0.775 -12.490 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.882 -0.473 -12.276 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.031 -0.178 -13.317 1.00 0.00 O ATOM 0 H GLU A 36 -0.253 -2.790 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 36 1.180 -4.003 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.724 -2.209 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.486 -1.077 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.996 -1.792 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.734 -2.857 -12.237 1.00 0.00 H new ATOM 539 N ASP A 37 3.412 -3.265 -9.359 1.00 0.00 N ATOM 540 CA ASP A 37 4.747 -2.899 -8.900 1.00 0.00 C ATOM 541 C ASP A 37 5.646 -2.535 -10.078 1.00 0.00 C ATOM 542 O ASP A 37 6.857 -2.747 -10.036 1.00 0.00 O ATOM 543 CB ASP A 37 5.369 -4.047 -8.104 1.00 0.00 C ATOM 544 CG ASP A 37 5.461 -5.328 -8.911 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.416 -5.249 -10.156 1.00 0.00 O ATOM 546 OD2 ASP A 37 5.575 -6.409 -8.296 1.00 0.00 O ATOM 0 H ASP A 37 3.395 -4.014 -10.051 1.00 0.00 H new ATOM 0 HA ASP A 37 4.655 -2.027 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.366 -3.757 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.775 -4.227 -7.208 1.00 0.00 H new ATOM 551 N SER A 38 5.043 -1.987 -11.129 1.00 0.00 N ATOM 552 CA SER A 38 5.787 -1.598 -12.321 1.00 0.00 C ATOM 553 C SER A 38 6.734 -0.441 -12.016 1.00 0.00 C ATOM 554 O SER A 38 7.867 -0.409 -12.496 1.00 0.00 O ATOM 555 CB SER A 38 4.825 -1.202 -13.442 1.00 0.00 C ATOM 556 OG SER A 38 5.424 -1.378 -14.714 1.00 0.00 O ATOM 0 H SER A 38 4.041 -1.803 -11.179 1.00 0.00 H new ATOM 0 HA SER A 38 6.379 -2.454 -12.645 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.919 -1.804 -13.377 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.526 -0.161 -13.318 1.00 0.00 H new ATOM 0 HG SER A 38 4.788 -1.120 -15.414 1.00 0.00 H new ATOM 562 N ASN A 39 6.261 0.507 -11.214 1.00 0.00 N ATOM 563 CA ASN A 39 7.065 1.667 -10.845 1.00 0.00 C ATOM 564 C ASN A 39 8.015 1.328 -9.700 1.00 0.00 C ATOM 565 O ASN A 39 8.032 0.201 -9.208 1.00 0.00 O ATOM 566 CB ASN A 39 6.160 2.834 -10.443 1.00 0.00 C ATOM 567 CG ASN A 39 6.877 4.169 -10.504 1.00 0.00 C ATOM 568 OD1 ASN A 39 7.179 4.771 -9.474 1.00 0.00 O ATOM 569 ND2 ASN A 39 7.152 4.638 -11.715 1.00 0.00 N ATOM 0 H ASN A 39 5.326 0.495 -10.807 1.00 0.00 H new ATOM 0 HA ASN A 39 7.658 1.958 -11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.292 2.861 -11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.788 2.670 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.633 5.532 -11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.883 4.105 -12.542 1.00 0.00 H new ATOM 576 N GLU A 40 8.804 2.313 -9.282 1.00 0.00 N ATOM 577 CA GLU A 40 9.757 2.119 -8.196 1.00 0.00 C ATOM 578 C GLU A 40 9.446 3.048 -7.026 1.00 0.00 C ATOM 579 O GLU A 40 9.351 2.610 -5.879 1.00 0.00 O ATOM 580 CB GLU A 40 11.185 2.363 -8.690 1.00 0.00 C ATOM 581 CG GLU A 40 11.777 1.186 -9.447 1.00 0.00 C ATOM 582 CD GLU A 40 13.180 1.463 -9.950 1.00 0.00 C ATOM 583 OE1 GLU A 40 13.462 2.625 -10.309 1.00 0.00 O ATOM 584 OE2 GLU A 40 13.995 0.518 -9.986 1.00 0.00 O ATOM 0 H GLU A 40 8.802 3.253 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 40 9.671 1.088 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.192 3.240 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.822 2.592 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.794 0.312 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.134 0.942 -10.292 1.00 0.00 H new ATOM 591 N ASP A 41 9.289 4.333 -7.325 1.00 0.00 N ATOM 592 CA ASP A 41 8.989 5.325 -6.299 1.00 0.00 C ATOM 593 C ASP A 41 7.703 4.969 -5.559 1.00 0.00 C ATOM 594 O ASP A 41 7.735 4.587 -4.389 1.00 0.00 O ATOM 595 CB ASP A 41 8.863 6.715 -6.925 1.00 0.00 C ATOM 596 CG ASP A 41 10.168 7.200 -7.524 1.00 0.00 C ATOM 597 OD1 ASP A 41 11.220 7.031 -6.872 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.138 7.748 -8.645 1.00 0.00 O ATOM 0 H ASP A 41 9.364 4.712 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 41 9.810 5.331 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.097 6.693 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.529 7.423 -6.166 1.00 0.00 H new ATOM 603 N TRP A 42 6.575 5.097 -6.248 1.00 0.00 N ATOM 604 CA TRP A 42 5.278 4.790 -5.655 1.00 0.00 C ATOM 605 C TRP A 42 4.698 3.511 -6.248 1.00 0.00 C ATOM 606 O TRP A 42 4.897 3.217 -7.427 1.00 0.00 O ATOM 607 CB TRP A 42 4.308 5.952 -5.870 1.00 0.00 C ATOM 608 CG TRP A 42 4.661 7.175 -5.078 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.915 7.653 -4.824 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.749 8.073 -4.437 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.837 8.794 -4.063 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.520 9.074 -3.812 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.357 8.131 -4.330 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.943 10.117 -3.093 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.786 9.166 -3.615 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.578 10.148 -3.004 1.00 0.00 C ATOM 0 H TRP A 42 6.532 5.411 -7.217 1.00 0.00 H new ATOM 0 HA TRP A 42 5.422 4.640 -4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.287 6.207 -6.929 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.302 5.631 -5.600 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.833 7.201 -5.170 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.632 9.344 -3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.738 7.380 -4.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.551 10.875 -2.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.711 9.219 -3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.101 10.945 -2.452 1.00 0.00 H new ATOM 627 N TRP A 43 3.981 2.755 -5.425 1.00 0.00 N ATOM 628 CA TRP A 43 3.372 1.506 -5.869 1.00 0.00 C ATOM 629 C TRP A 43 1.865 1.522 -5.635 1.00 0.00 C ATOM 630 O TRP A 43 1.362 2.292 -4.817 1.00 0.00 O ATOM 631 CB TRP A 43 4.002 0.319 -5.139 1.00 0.00 C ATOM 632 CG TRP A 43 5.456 0.133 -5.452 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.071 0.351 -6.651 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.476 -0.312 -4.551 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.412 0.069 -6.550 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.685 -0.339 -5.272 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.485 -0.689 -3.205 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.889 -0.729 -4.691 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.681 -1.075 -2.630 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.870 -1.092 -3.372 1.00 0.00 C ATOM 0 H TRP A 43 3.807 2.985 -4.447 1.00 0.00 H new ATOM 0 HA TRP A 43 3.554 1.402 -6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.884 0.458 -4.064 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.462 -0.590 -5.404 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.576 0.695 -7.547 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.093 0.150 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.574 -0.679 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.806 -0.744 -5.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.700 -1.369 -1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.789 -1.397 -2.893 1.00 0.00 H new ATOM 651 N LYS A 44 1.150 0.667 -6.358 1.00 0.00 N ATOM 652 CA LYS A 44 -0.300 0.581 -6.228 1.00 0.00 C ATOM 653 C LYS A 44 -0.699 -0.604 -5.354 1.00 0.00 C ATOM 654 O LYS A 44 0.040 -1.582 -5.243 1.00 0.00 O ATOM 655 CB LYS A 44 -0.950 0.452 -7.608 1.00 0.00 C ATOM 656 CG LYS A 44 -2.449 0.214 -7.554 1.00 0.00 C ATOM 657 CD LYS A 44 -3.120 0.588 -8.865 1.00 0.00 C ATOM 658 CE LYS A 44 -4.596 0.895 -8.668 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.818 2.304 -8.242 1.00 0.00 N ATOM 0 H LYS A 44 1.551 0.024 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.652 1.496 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.755 1.360 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.479 -0.370 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.644 -0.835 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.882 0.799 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.621 1.456 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.009 -0.229 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.133 0.708 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.010 0.220 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.645 2.691 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.987 2.334 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.978 2.872 -8.471 1.00 0.00 H new ATOM 673 N GLY A 45 -1.873 -0.510 -4.737 1.00 0.00 N ATOM 674 CA GLY A 45 -2.349 -1.582 -3.882 1.00 0.00 C ATOM 675 C GLY A 45 -3.841 -1.500 -3.626 1.00 0.00 C ATOM 676 O GLY A 45 -4.535 -0.669 -4.214 1.00 0.00 O ATOM 0 H GLY A 45 -2.503 0.289 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.115 -2.542 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.818 -1.547 -2.931 1.00 0.00 H new ATOM 680 N LYS A 46 -4.338 -2.364 -2.748 1.00 0.00 N ATOM 681 CA LYS A 46 -5.757 -2.387 -2.414 1.00 0.00 C ATOM 682 C LYS A 46 -5.961 -2.379 -0.903 1.00 0.00 C ATOM 683 O LYS A 46 -5.093 -2.818 -0.148 1.00 0.00 O ATOM 684 CB LYS A 46 -6.425 -3.621 -3.024 1.00 0.00 C ATOM 685 CG LYS A 46 -7.894 -3.759 -2.662 1.00 0.00 C ATOM 686 CD LYS A 46 -8.646 -4.588 -3.689 1.00 0.00 C ATOM 687 CE LYS A 46 -8.750 -3.863 -5.022 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.706 -4.535 -5.946 1.00 0.00 N ATOM 0 H LYS A 46 -3.778 -3.059 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.217 -1.490 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.329 -3.577 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.893 -4.513 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.986 -4.224 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.346 -2.770 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.138 -5.542 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.646 -4.812 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.071 -2.835 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.766 -3.817 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.749 -4.011 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.387 -5.508 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.651 -4.556 -5.512 1.00 0.00 H new ATOM 702 N ILE A 47 -7.113 -1.879 -0.468 1.00 0.00 N ATOM 703 CA ILE A 47 -7.431 -1.818 0.953 1.00 0.00 C ATOM 704 C ILE A 47 -8.895 -2.161 1.204 1.00 0.00 C ATOM 705 O ILE A 47 -9.710 -2.158 0.282 1.00 0.00 O ATOM 706 CB ILE A 47 -7.135 -0.424 1.536 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.654 -0.079 1.365 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.531 -0.369 3.004 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.239 1.183 2.088 1.00 0.00 C ATOM 0 H ILE A 47 -7.841 -1.510 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.798 -2.553 1.450 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.725 0.314 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.051 -0.911 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.436 0.032 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.316 0.623 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.597 -0.576 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.965 -1.115 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.177 1.365 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.815 2.026 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.425 1.068 3.156 1.00 0.00 H new ATOM 721 N GLN A 48 -9.222 -2.455 2.458 1.00 0.00 N ATOM 722 CA GLN A 48 -10.589 -2.799 2.831 1.00 0.00 C ATOM 723 C GLN A 48 -11.593 -2.117 1.907 1.00 0.00 C ATOM 724 O GLN A 48 -12.185 -2.757 1.038 1.00 0.00 O ATOM 725 CB GLN A 48 -10.861 -2.399 4.282 1.00 0.00 C ATOM 726 CG GLN A 48 -10.057 -3.200 5.294 1.00 0.00 C ATOM 727 CD GLN A 48 -10.500 -2.947 6.722 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.663 -2.633 6.977 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.573 -3.084 7.663 1.00 0.00 N ATOM 0 H GLN A 48 -8.559 -2.462 3.233 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.705 -3.878 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.635 -1.340 4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.923 -2.525 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.154 -4.262 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.001 -2.948 5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.621 -3.346 7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.813 -2.928 8.642 1.00 0.00 H new ATOM 738 N ASP A 49 -11.779 -0.817 2.101 1.00 0.00 N ATOM 739 CA ASP A 49 -12.711 -0.048 1.284 1.00 0.00 C ATOM 740 C ASP A 49 -12.006 1.127 0.615 1.00 0.00 C ATOM 741 O ASP A 49 -12.648 2.083 0.179 1.00 0.00 O ATOM 742 CB ASP A 49 -13.874 0.459 2.139 1.00 0.00 C ATOM 743 CG ASP A 49 -14.759 -0.665 2.638 1.00 0.00 C ATOM 744 OD1 ASP A 49 -15.489 -1.256 1.815 1.00 0.00 O ATOM 745 OD2 ASP A 49 -14.721 -0.956 3.852 1.00 0.00 O ATOM 0 H ASP A 49 -11.297 -0.273 2.817 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.101 -0.705 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.480 1.013 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.473 1.157 1.555 1.00 0.00 H new ATOM 750 N ARG A 50 -10.681 1.050 0.538 1.00 0.00 N ATOM 751 CA ARG A 50 -9.888 2.108 -0.076 1.00 0.00 C ATOM 752 C ARG A 50 -9.007 1.550 -1.190 1.00 0.00 C ATOM 753 O ARG A 50 -8.442 0.463 -1.063 1.00 0.00 O ATOM 754 CB ARG A 50 -9.021 2.800 0.976 1.00 0.00 C ATOM 755 CG ARG A 50 -9.812 3.662 1.947 1.00 0.00 C ATOM 756 CD ARG A 50 -9.137 3.732 3.308 1.00 0.00 C ATOM 757 NE ARG A 50 -9.914 4.516 4.264 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.980 4.048 4.904 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.393 2.806 4.692 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.634 4.823 5.760 1.00 0.00 N ATOM 0 H ARG A 50 -10.134 0.266 0.893 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.573 2.837 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.474 2.043 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.280 3.421 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.917 4.668 1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.818 3.257 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.997 2.723 3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.146 4.172 3.199 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.622 5.475 4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.892 2.207 4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.212 2.450 5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.318 5.778 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.452 4.463 6.251 1.00 0.00 H new ATOM 774 N ILE A 51 -8.895 2.300 -2.281 1.00 0.00 N ATOM 775 CA ILE A 51 -8.083 1.881 -3.416 1.00 0.00 C ATOM 776 C ILE A 51 -7.466 3.082 -4.124 1.00 0.00 C ATOM 777 O ILE A 51 -8.089 4.137 -4.238 1.00 0.00 O ATOM 778 CB ILE A 51 -8.910 1.070 -4.431 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.584 -0.117 -3.741 1.00 0.00 C ATOM 780 CG2 ILE A 51 -8.026 0.594 -5.574 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.899 0.234 -3.082 1.00 0.00 C ATOM 0 H ILE A 51 -9.357 3.201 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.289 1.249 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.687 1.715 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.754 -0.905 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.907 -0.522 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.625 0.022 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.589 1.455 -6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.230 -0.037 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.320 -0.655 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.733 1.000 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.593 0.611 -3.833 1.00 0.00 H new ATOM 793 N GLY A 52 -6.236 2.914 -4.601 1.00 0.00 N ATOM 794 CA GLY A 52 -5.555 3.992 -5.294 1.00 0.00 C ATOM 795 C GLY A 52 -4.051 3.807 -5.319 1.00 0.00 C ATOM 796 O GLY A 52 -3.557 2.679 -5.292 1.00 0.00 O ATOM 0 H GLY A 52 -5.699 2.050 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.927 4.055 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.793 4.939 -4.810 1.00 0.00 H new ATOM 800 N PHE A 53 -3.320 4.916 -5.372 1.00 0.00 N ATOM 801 CA PHE A 53 -1.863 4.870 -5.403 1.00 0.00 C ATOM 802 C PHE A 53 -1.276 5.330 -4.072 1.00 0.00 C ATOM 803 O PHE A 53 -1.948 5.988 -3.278 1.00 0.00 O ATOM 804 CB PHE A 53 -1.329 5.746 -6.539 1.00 0.00 C ATOM 805 CG PHE A 53 -2.050 5.545 -7.841 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.957 4.341 -8.521 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.821 6.559 -8.384 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.619 4.154 -9.720 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.486 6.378 -9.583 1.00 0.00 C ATOM 810 CZ PHE A 53 -3.385 5.173 -10.251 1.00 0.00 C ATOM 0 H PHE A 53 -3.713 5.857 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.560 3.837 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.408 6.793 -6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.270 5.534 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.361 3.540 -8.110 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.904 7.502 -7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.537 3.212 -10.241 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.083 7.177 -9.996 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.904 5.028 -11.187 1.00 0.00 H new ATOM 820 N PHE A 54 -0.017 4.977 -3.834 1.00 0.00 N ATOM 821 CA PHE A 54 0.662 5.351 -2.599 1.00 0.00 C ATOM 822 C PHE A 54 2.166 5.122 -2.714 1.00 0.00 C ATOM 823 O PHE A 54 2.634 4.264 -3.463 1.00 0.00 O ATOM 824 CB PHE A 54 0.101 4.551 -1.422 1.00 0.00 C ATOM 825 CG PHE A 54 0.374 3.077 -1.515 1.00 0.00 C ATOM 826 CD1 PHE A 54 -0.485 2.242 -2.212 1.00 0.00 C ATOM 827 CD2 PHE A 54 1.489 2.525 -0.905 1.00 0.00 C ATOM 828 CE1 PHE A 54 -0.236 0.885 -2.300 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.743 1.169 -0.990 1.00 0.00 C ATOM 830 CZ PHE A 54 0.879 0.348 -1.687 1.00 0.00 C ATOM 0 H PHE A 54 0.554 4.432 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 54 0.487 6.413 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.529 4.934 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.976 4.710 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.359 2.656 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.168 3.162 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.913 0.246 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.617 0.752 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.075 -0.712 -1.753 1.00 0.00 H new ATOM 840 N PRO A 55 2.943 5.909 -1.955 1.00 0.00 N ATOM 841 CA PRO A 55 4.406 5.812 -1.953 1.00 0.00 C ATOM 842 C PRO A 55 4.901 4.526 -1.300 1.00 0.00 C ATOM 843 O PRO A 55 4.221 3.947 -0.454 1.00 0.00 O ATOM 844 CB PRO A 55 4.841 7.029 -1.134 1.00 0.00 C ATOM 845 CG PRO A 55 3.679 7.327 -0.251 1.00 0.00 C ATOM 846 CD PRO A 55 2.454 6.953 -1.039 1.00 0.00 C ATOM 0 HA PRO A 55 4.814 5.793 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.736 6.814 -0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.076 7.876 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.736 6.756 0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.659 8.381 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.659 6.581 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.050 7.807 -1.582 1.00 0.00 H new ATOM 854 N ALA A 56 6.089 4.085 -1.699 1.00 0.00 N ATOM 855 CA ALA A 56 6.676 2.868 -1.150 1.00 0.00 C ATOM 856 C ALA A 56 7.374 3.146 0.177 1.00 0.00 C ATOM 857 O ALA A 56 7.362 2.313 1.082 1.00 0.00 O ATOM 858 CB ALA A 56 7.652 2.258 -2.145 1.00 0.00 C ATOM 0 H ALA A 56 6.664 4.552 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 56 5.871 2.157 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.083 1.350 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.126 2.014 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.448 2.972 -2.359 1.00 0.00 H new ATOM 864 N ASN A 57 7.983 4.322 0.285 1.00 0.00 N ATOM 865 CA ASN A 57 8.688 4.709 1.502 1.00 0.00 C ATOM 866 C ASN A 57 7.747 4.697 2.703 1.00 0.00 C ATOM 867 O ASN A 57 8.176 4.495 3.839 1.00 0.00 O ATOM 868 CB ASN A 57 9.307 6.099 1.338 1.00 0.00 C ATOM 869 CG ASN A 57 9.706 6.714 2.666 1.00 0.00 C ATOM 870 OD1 ASN A 57 8.855 7.146 3.444 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.007 6.757 2.930 1.00 0.00 N ATOM 0 H ASN A 57 8.003 5.024 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 57 9.482 3.984 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.184 6.030 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.595 6.754 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.336 7.160 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.677 6.387 2.256 1.00 0.00 H new ATOM 878 N PHE A 58 6.462 4.914 2.443 1.00 0.00 N ATOM 879 CA PHE A 58 5.460 4.929 3.502 1.00 0.00 C ATOM 880 C PHE A 58 5.222 3.523 4.045 1.00 0.00 C ATOM 881 O PHE A 58 5.019 3.334 5.245 1.00 0.00 O ATOM 882 CB PHE A 58 4.146 5.516 2.982 1.00 0.00 C ATOM 883 CG PHE A 58 4.093 7.015 3.047 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.151 7.780 2.584 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.983 7.660 3.570 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.104 9.160 2.643 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.931 9.040 3.632 1.00 0.00 C ATOM 888 CZ PHE A 58 3.993 9.791 3.167 1.00 0.00 C ATOM 0 H PHE A 58 6.090 5.082 1.508 1.00 0.00 H new ATOM 0 HA PHE A 58 5.834 5.555 4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.999 5.200 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.319 5.106 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.022 7.293 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.149 7.078 3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.936 9.745 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.061 9.530 4.043 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.955 10.869 3.213 1.00 0.00 H new ATOM 898 N VAL A 59 5.248 2.538 3.153 1.00 0.00 N ATOM 899 CA VAL A 59 5.036 1.148 3.541 1.00 0.00 C ATOM 900 C VAL A 59 6.356 0.388 3.606 1.00 0.00 C ATOM 901 O VAL A 59 7.364 0.829 3.055 1.00 0.00 O ATOM 902 CB VAL A 59 4.091 0.430 2.560 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.764 1.167 2.460 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.742 0.299 1.192 1.00 0.00 C ATOM 0 H VAL A 59 5.414 2.677 2.156 1.00 0.00 H new ATOM 0 HA VAL A 59 4.579 1.162 4.530 1.00 0.00 H new ATOM 0 HB VAL A 59 3.895 -0.572 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.109 0.645 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.293 1.203 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.938 2.182 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.060 -0.211 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.970 1.291 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.663 -0.277 1.281 1.00 0.00 H new ATOM 914 N GLN A 60 6.341 -0.755 4.284 1.00 0.00 N ATOM 915 CA GLN A 60 7.538 -1.576 4.421 1.00 0.00 C ATOM 916 C GLN A 60 7.274 -3.005 3.958 1.00 0.00 C ATOM 917 O GLN A 60 6.316 -3.643 4.396 1.00 0.00 O ATOM 918 CB GLN A 60 8.017 -1.579 5.874 1.00 0.00 C ATOM 919 CG GLN A 60 9.231 -2.461 6.113 1.00 0.00 C ATOM 920 CD GLN A 60 9.862 -2.230 7.472 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.414 -2.779 8.479 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.909 -1.414 7.508 1.00 0.00 N ATOM 0 H GLN A 60 5.514 -1.133 4.746 1.00 0.00 H new ATOM 0 HA GLN A 60 8.316 -1.147 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.256 -0.558 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.202 -1.915 6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.938 -3.507 6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.972 -2.272 5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.247 -0.980 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.375 -1.221 8.395 1.00 0.00 H new ATOM 931 N ARG A 61 8.129 -3.502 3.070 1.00 0.00 N ATOM 932 CA ARG A 61 7.986 -4.856 2.547 1.00 0.00 C ATOM 933 C ARG A 61 7.929 -5.874 3.682 1.00 0.00 C ATOM 934 O ARG A 61 8.744 -5.837 4.606 1.00 0.00 O ATOM 935 CB ARG A 61 9.147 -5.187 1.608 1.00 0.00 C ATOM 936 CG ARG A 61 9.064 -6.580 1.005 1.00 0.00 C ATOM 937 CD ARG A 61 9.953 -6.709 -0.222 1.00 0.00 C ATOM 938 NE ARG A 61 11.309 -7.127 0.125 1.00 0.00 N ATOM 939 CZ ARG A 61 12.364 -6.920 -0.654 1.00 0.00 C ATOM 940 NH1 ARG A 61 12.221 -6.303 -1.819 1.00 0.00 N ATOM 941 NH2 ARG A 61 13.566 -7.329 -0.269 1.00 0.00 N ATOM 0 H ARG A 61 8.927 -2.988 2.698 1.00 0.00 H new ATOM 0 HA ARG A 61 7.051 -4.907 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.173 -4.453 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.085 -5.093 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.360 -7.318 1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.032 -6.799 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.516 -7.432 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.991 -5.753 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 61 11.453 -7.604 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.299 -5.986 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.033 -6.145 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.681 -7.803 0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.375 -7.169 -0.869 1.00 0.00 H new ATOM 955 N LEU A 62 6.963 -6.783 3.607 1.00 0.00 N ATOM 956 CA LEU A 62 6.799 -7.812 4.628 1.00 0.00 C ATOM 957 C LEU A 62 6.902 -9.206 4.017 1.00 0.00 C ATOM 958 O LEU A 62 5.913 -9.759 3.537 1.00 0.00 O ATOM 959 CB LEU A 62 5.451 -7.649 5.332 1.00 0.00 C ATOM 960 CG LEU A 62 5.424 -6.681 6.515 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.993 -6.303 6.863 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.125 -7.291 7.720 1.00 0.00 C ATOM 0 H LEU A 62 6.281 -6.828 2.850 1.00 0.00 H new ATOM 0 HA LEU A 62 7.600 -7.696 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.718 -7.314 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.126 -8.629 5.683 1.00 0.00 H new ATOM 0 HG LEU A 62 5.958 -5.775 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.994 -5.614 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.524 -5.824 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.434 -7.200 7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.096 -6.588 8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.620 -8.213 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.162 -7.509 7.466 1.00 0.00 H new