USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0313 K(o=-0.031,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.02 (180deg=-0.193) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0669 X(o=-0.067,f=-0.067) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= -0.0181 (180deg=-0.0934) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.9) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.822 K(o=-0.82,f=-3.1!) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.15 F(o=-2.2,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.479 1.068 9.382 1.00 0.00 N ATOM 117 CA TRP A 11 3.021 1.059 9.400 1.00 0.00 C ATOM 118 C TRP A 11 2.496 0.360 10.650 1.00 0.00 C ATOM 119 O TRP A 11 3.206 -0.423 11.281 1.00 0.00 O ATOM 120 CB TRP A 11 2.479 0.366 8.148 1.00 0.00 C ATOM 121 CG TRP A 11 2.342 1.286 6.973 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.299 2.120 6.469 1.00 0.00 C ATOM 123 CD2 TRP A 11 1.181 1.465 6.156 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.802 2.807 5.388 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.505 2.423 5.175 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.101 0.909 6.155 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.593 2.835 4.207 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.006 1.319 5.194 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.655 2.274 4.231 1.00 0.00 C ATOM 0 HA TRP A 11 2.676 2.093 9.413 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.142 -0.457 7.881 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.506 -0.070 8.375 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.299 2.224 6.862 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.316 3.492 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.380 0.171 6.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.861 3.571 3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.000 0.896 5.185 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.384 2.574 3.493 1.00 0.00 H new ATOM 140 N THR A 12 1.247 0.648 11.003 1.00 0.00 N ATOM 141 CA THR A 12 0.627 0.048 12.178 1.00 0.00 C ATOM 142 C THR A 12 -0.421 -0.985 11.780 1.00 0.00 C ATOM 143 O THR A 12 -1.147 -0.802 10.803 1.00 0.00 O ATOM 144 CB THR A 12 -0.033 1.115 13.071 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.656 0.492 14.200 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.068 1.911 12.289 1.00 0.00 C ATOM 0 H THR A 12 0.645 1.293 10.492 1.00 0.00 H new ATOM 0 HA THR A 12 1.422 -0.443 12.739 1.00 0.00 H new ATOM 0 HB THR A 12 0.743 1.799 13.416 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.072 1.177 14.764 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.521 2.658 12.941 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.585 2.408 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.841 1.238 11.918 1.00 0.00 H new ATOM 154 N VAL A 13 -0.494 -2.070 12.543 1.00 0.00 N ATOM 155 CA VAL A 13 -1.456 -3.132 12.271 1.00 0.00 C ATOM 156 C VAL A 13 -2.755 -2.567 11.709 1.00 0.00 C ATOM 157 O VAL A 13 -3.228 -3.000 10.659 1.00 0.00 O ATOM 158 CB VAL A 13 -1.770 -3.944 13.542 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.914 -4.913 13.287 1.00 0.00 C ATOM 160 CG2 VAL A 13 -0.530 -4.685 14.020 1.00 0.00 C ATOM 0 H VAL A 13 0.101 -2.237 13.354 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.000 -3.790 11.531 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.078 -3.253 14.327 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.122 -5.478 14.196 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.804 -4.356 12.994 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.637 -5.601 12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.770 -5.253 14.919 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.190 -5.366 13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.259 -3.967 14.244 1.00 0.00 H new ATOM 170 N GLU A 14 -3.326 -1.596 12.415 1.00 0.00 N ATOM 171 CA GLU A 14 -4.572 -0.971 11.986 1.00 0.00 C ATOM 172 C GLU A 14 -4.529 -0.639 10.497 1.00 0.00 C ATOM 173 O GLU A 14 -5.335 -1.142 9.715 1.00 0.00 O ATOM 174 CB GLU A 14 -4.836 0.300 12.795 1.00 0.00 C ATOM 175 CG GLU A 14 -5.241 0.031 14.235 1.00 0.00 C ATOM 176 CD GLU A 14 -5.298 1.295 15.071 1.00 0.00 C ATOM 177 OE1 GLU A 14 -4.227 1.765 15.509 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.413 1.814 15.287 1.00 0.00 O ATOM 0 H GLU A 14 -2.946 -1.225 13.286 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.382 -1.679 12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.938 0.918 12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.623 0.875 12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.217 -0.454 14.249 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.533 -0.665 14.684 1.00 0.00 H new ATOM 185 N GLU A 15 -3.582 0.211 10.113 1.00 0.00 N ATOM 186 CA GLU A 15 -3.435 0.612 8.719 1.00 0.00 C ATOM 187 C GLU A 15 -3.122 -0.594 7.837 1.00 0.00 C ATOM 188 O GLU A 15 -3.769 -0.809 6.812 1.00 0.00 O ATOM 189 CB GLU A 15 -2.329 1.660 8.580 1.00 0.00 C ATOM 190 CG GLU A 15 -2.685 3.005 9.189 1.00 0.00 C ATOM 191 CD GLU A 15 -3.594 2.877 10.396 1.00 0.00 C ATOM 192 OE1 GLU A 15 -4.739 2.408 10.230 1.00 0.00 O ATOM 193 OE2 GLU A 15 -3.159 3.245 11.508 1.00 0.00 O ATOM 0 H GLU A 15 -2.905 0.635 10.748 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.379 1.046 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.422 1.284 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.102 1.798 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.770 3.521 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.173 3.623 8.435 1.00 0.00 H new ATOM 200 N GLN A 16 -2.126 -1.374 8.243 1.00 0.00 N ATOM 201 CA GLN A 16 -1.727 -2.557 7.489 1.00 0.00 C ATOM 202 C GLN A 16 -2.941 -3.246 6.875 1.00 0.00 C ATOM 203 O GLN A 16 -3.106 -3.267 5.655 1.00 0.00 O ATOM 204 CB GLN A 16 -0.974 -3.534 8.394 1.00 0.00 C ATOM 205 CG GLN A 16 0.520 -3.266 8.468 1.00 0.00 C ATOM 206 CD GLN A 16 1.315 -4.494 8.865 1.00 0.00 C ATOM 207 OE1 GLN A 16 0.747 -5.522 9.234 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.637 -4.394 8.792 1.00 0.00 N ATOM 0 H GLN A 16 -1.581 -1.209 9.089 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.067 -2.238 6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.394 -3.483 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.135 -4.549 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.870 -2.909 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.707 -2.469 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.066 -3.523 8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.223 -5.189 9.047 1.00 0.00 H new ATOM 217 N LYS A 17 -3.789 -3.811 7.728 1.00 0.00 N ATOM 218 CA LYS A 17 -4.989 -4.501 7.271 1.00 0.00 C ATOM 219 C LYS A 17 -5.971 -3.522 6.634 1.00 0.00 C ATOM 220 O LYS A 17 -6.415 -3.719 5.503 1.00 0.00 O ATOM 221 CB LYS A 17 -5.661 -5.227 8.438 1.00 0.00 C ATOM 222 CG LYS A 17 -6.006 -4.316 9.604 1.00 0.00 C ATOM 223 CD LYS A 17 -6.410 -5.112 10.833 1.00 0.00 C ATOM 224 CE LYS A 17 -6.505 -4.224 12.065 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.651 -3.278 11.979 1.00 0.00 N ATOM 0 H LYS A 17 -3.667 -3.804 8.741 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.693 -5.232 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.572 -5.706 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.001 -6.020 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.148 -3.688 9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.819 -3.649 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.371 -5.594 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.683 -5.905 11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.613 -4.846 12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.578 -3.662 12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.682 -2.691 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.535 -2.667 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.538 -3.814 11.895 1.00 0.00 H new ATOM 239 N LYS A 18 -6.305 -2.466 7.368 1.00 0.00 N ATOM 240 CA LYS A 18 -7.232 -1.454 6.875 1.00 0.00 C ATOM 241 C LYS A 18 -6.991 -1.170 5.395 1.00 0.00 C ATOM 242 O LYS A 18 -7.933 -0.941 4.635 1.00 0.00 O ATOM 243 CB LYS A 18 -7.086 -0.163 7.683 1.00 0.00 C ATOM 244 CG LYS A 18 -8.110 0.900 7.321 1.00 0.00 C ATOM 245 CD LYS A 18 -8.315 1.886 8.459 1.00 0.00 C ATOM 246 CE LYS A 18 -9.577 2.711 8.260 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.809 1.896 8.452 1.00 0.00 N ATOM 0 H LYS A 18 -5.947 -2.289 8.307 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.246 -1.837 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.176 -0.396 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.085 0.241 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.782 1.435 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.059 0.424 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.377 1.346 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.452 2.549 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.580 3.545 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.577 3.138 7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.624 2.527 8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.970 1.307 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.694 1.284 9.285 1.00 0.00 H new ATOM 261 N LEU A 19 -5.725 -1.188 4.993 1.00 0.00 N ATOM 262 CA LEU A 19 -5.361 -0.935 3.603 1.00 0.00 C ATOM 263 C LEU A 19 -5.709 -2.130 2.722 1.00 0.00 C ATOM 264 O LEU A 19 -6.482 -2.008 1.772 1.00 0.00 O ATOM 265 CB LEU A 19 -3.867 -0.625 3.495 1.00 0.00 C ATOM 266 CG LEU A 19 -3.239 -0.816 2.114 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.898 0.103 1.097 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.739 -0.566 2.170 1.00 0.00 C ATOM 0 H LEU A 19 -4.934 -1.375 5.609 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.931 -0.073 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.708 0.408 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.333 -1.257 4.205 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.403 -1.847 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.438 -0.047 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.962 -0.125 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.766 1.140 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.309 -0.707 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.552 0.454 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.279 -1.266 2.867 1.00 0.00 H new ATOM 280 N GLU A 20 -5.135 -3.284 3.045 1.00 0.00 N ATOM 281 CA GLU A 20 -5.386 -4.502 2.282 1.00 0.00 C ATOM 282 C GLU A 20 -6.868 -4.635 1.944 1.00 0.00 C ATOM 283 O GLU A 20 -7.229 -4.993 0.823 1.00 0.00 O ATOM 284 CB GLU A 20 -4.919 -5.728 3.069 1.00 0.00 C ATOM 285 CG GLU A 20 -3.408 -5.868 3.137 1.00 0.00 C ATOM 286 CD GLU A 20 -2.965 -7.299 3.377 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.101 -7.778 4.522 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.482 -7.938 2.419 1.00 0.00 O ATOM 0 H GLU A 20 -4.493 -3.402 3.829 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.822 -4.441 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.316 -5.672 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.338 -6.624 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.971 -5.508 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.024 -5.234 3.936 1.00 0.00 H new ATOM 295 N GLN A 21 -7.721 -4.344 2.921 1.00 0.00 N ATOM 296 CA GLN A 21 -9.163 -4.433 2.727 1.00 0.00 C ATOM 297 C GLN A 21 -9.650 -3.356 1.762 1.00 0.00 C ATOM 298 O GLN A 21 -10.409 -3.637 0.834 1.00 0.00 O ATOM 299 CB GLN A 21 -9.889 -4.300 4.067 1.00 0.00 C ATOM 300 CG GLN A 21 -9.645 -5.468 5.009 1.00 0.00 C ATOM 301 CD GLN A 21 -10.713 -5.587 6.078 1.00 0.00 C ATOM 302 OE1 GLN A 21 -10.531 -5.131 7.208 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.836 -6.203 5.728 1.00 0.00 N ATOM 0 H GLN A 21 -7.438 -4.045 3.854 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.387 -5.409 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.570 -3.378 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.960 -4.209 3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.608 -6.393 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.672 -5.349 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.945 -6.566 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.590 -6.313 6.406 1.00 0.00 H new ATOM 312 N LEU A 22 -9.209 -2.124 1.988 1.00 0.00 N ATOM 313 CA LEU A 22 -9.600 -1.004 1.139 1.00 0.00 C ATOM 314 C LEU A 22 -9.246 -1.276 -0.319 1.00 0.00 C ATOM 315 O LEU A 22 -10.040 -1.010 -1.222 1.00 0.00 O ATOM 316 CB LEU A 22 -8.917 0.281 1.610 1.00 0.00 C ATOM 317 CG LEU A 22 -9.504 0.933 2.863 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.587 2.036 3.369 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.894 1.482 2.576 1.00 0.00 C ATOM 0 H LEU A 22 -8.581 -1.875 2.752 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.681 -0.883 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.866 0.062 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.952 1.006 0.797 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.588 0.173 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.020 2.489 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.612 1.615 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.471 2.796 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.297 1.942 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.834 2.228 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.548 0.669 2.260 1.00 0.00 H new ATOM 331 N LEU A 23 -8.051 -1.811 -0.542 1.00 0.00 N ATOM 332 CA LEU A 23 -7.592 -2.123 -1.891 1.00 0.00 C ATOM 333 C LEU A 23 -8.658 -2.891 -2.666 1.00 0.00 C ATOM 334 O LEU A 23 -9.030 -2.508 -3.775 1.00 0.00 O ATOM 335 CB LEU A 23 -6.299 -2.939 -1.836 1.00 0.00 C ATOM 336 CG LEU A 23 -5.009 -2.141 -1.647 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.931 -3.009 -1.018 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.532 -1.575 -2.977 1.00 0.00 C ATOM 0 H LEU A 23 -7.382 -2.038 0.194 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.400 -1.183 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.381 -3.657 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.216 -3.513 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.215 -1.309 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.020 -2.424 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.272 -3.365 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.727 -3.862 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.613 -1.010 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.344 -2.392 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.298 -0.917 -3.388 1.00 0.00 H new ATOM 350 N ILE A 24 -9.148 -3.974 -2.072 1.00 0.00 N ATOM 351 CA ILE A 24 -10.174 -4.793 -2.705 1.00 0.00 C ATOM 352 C ILE A 24 -11.460 -4.000 -2.913 1.00 0.00 C ATOM 353 O ILE A 24 -12.092 -4.085 -3.966 1.00 0.00 O ATOM 354 CB ILE A 24 -10.488 -6.048 -1.869 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.222 -6.882 -1.666 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.573 -6.875 -2.542 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.277 -7.778 -0.448 1.00 0.00 C ATOM 0 H ILE A 24 -8.851 -4.304 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.779 -5.101 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.853 -5.734 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.055 -7.496 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.366 -6.213 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.784 -7.758 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.479 -6.277 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.235 -7.183 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.346 -8.339 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.413 -7.169 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.112 -8.472 -0.544 1.00 0.00 H new ATOM 369 N LYS A 25 -11.841 -3.226 -1.903 1.00 0.00 N ATOM 370 CA LYS A 25 -13.050 -2.413 -1.974 1.00 0.00 C ATOM 371 C LYS A 25 -13.037 -1.528 -3.217 1.00 0.00 C ATOM 372 O LYS A 25 -13.953 -1.583 -4.038 1.00 0.00 O ATOM 373 CB LYS A 25 -13.182 -1.547 -0.720 1.00 0.00 C ATOM 374 CG LYS A 25 -14.325 -0.550 -0.787 1.00 0.00 C ATOM 375 CD LYS A 25 -14.261 0.450 0.356 1.00 0.00 C ATOM 376 CE LYS A 25 -15.338 1.516 0.225 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.739 2.065 1.550 1.00 0.00 N ATOM 0 H LYS A 25 -11.330 -3.144 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.906 -3.084 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.326 -2.194 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.249 -1.007 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.291 -0.019 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.276 -1.082 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.379 -0.073 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.279 0.923 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.973 2.325 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.211 1.092 -0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.475 2.788 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.111 1.298 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.912 2.493 2.013 1.00 0.00 H new ATOM 391 N TYR A 26 -11.995 -0.715 -3.348 1.00 0.00 N ATOM 392 CA TYR A 26 -11.865 0.182 -4.490 1.00 0.00 C ATOM 393 C TYR A 26 -11.343 -0.566 -5.714 1.00 0.00 C ATOM 394 O TYR A 26 -10.269 -1.166 -5.695 1.00 0.00 O ATOM 395 CB TYR A 26 -10.927 1.341 -4.150 1.00 0.00 C ATOM 396 CG TYR A 26 -11.535 2.354 -3.206 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.390 3.344 -3.675 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.254 2.322 -1.846 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.947 4.272 -2.816 1.00 0.00 C ATOM 400 CE2 TYR A 26 -11.808 3.245 -0.980 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.654 4.218 -1.470 1.00 0.00 C ATOM 402 OH TYR A 26 -13.206 5.140 -0.611 1.00 0.00 O ATOM 0 H TYR A 26 -11.228 -0.659 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.853 0.578 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.016 0.942 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.636 1.845 -5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.623 3.389 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.591 1.562 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.609 5.036 -3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.580 3.205 0.075 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.100 4.831 0.313 1.00 0.00 H new ATOM 412 N PRO A 27 -12.123 -0.529 -6.805 1.00 0.00 N ATOM 413 CA PRO A 27 -11.761 -1.197 -8.059 1.00 0.00 C ATOM 414 C PRO A 27 -10.585 -0.522 -8.756 1.00 0.00 C ATOM 415 O PRO A 27 -10.263 0.638 -8.500 1.00 0.00 O ATOM 416 CB PRO A 27 -13.029 -1.070 -8.906 1.00 0.00 C ATOM 417 CG PRO A 27 -13.726 0.132 -8.369 1.00 0.00 C ATOM 418 CD PRO A 27 -13.417 0.167 -6.898 1.00 0.00 C ATOM 0 HA PRO A 27 -11.442 -2.226 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.789 -0.949 -9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.653 -1.960 -8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.377 1.039 -8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.801 0.069 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.351 1.189 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.187 -0.336 -6.313 1.00 0.00 H new ATOM 426 N PRO A 28 -9.927 -1.263 -9.660 1.00 0.00 N ATOM 427 CA PRO A 28 -8.777 -0.756 -10.414 1.00 0.00 C ATOM 428 C PRO A 28 -9.174 0.308 -11.431 1.00 0.00 C ATOM 429 O PRO A 28 -10.234 0.222 -12.051 1.00 0.00 O ATOM 430 CB PRO A 28 -8.241 -2.001 -11.125 1.00 0.00 C ATOM 431 CG PRO A 28 -9.418 -2.908 -11.238 1.00 0.00 C ATOM 432 CD PRO A 28 -10.256 -2.654 -10.016 1.00 0.00 C ATOM 0 HA PRO A 28 -8.047 -0.271 -9.766 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.836 -1.753 -12.106 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.436 -2.466 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.983 -2.703 -12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.104 -3.951 -11.286 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.319 -2.775 -10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.010 -3.344 -9.209 1.00 0.00 H new ATOM 440 N GLU A 29 -8.317 1.311 -11.598 1.00 0.00 N ATOM 441 CA GLU A 29 -8.580 2.392 -12.540 1.00 0.00 C ATOM 442 C GLU A 29 -7.395 2.596 -13.479 1.00 0.00 C ATOM 443 O GLU A 29 -6.432 1.830 -13.454 1.00 0.00 O ATOM 444 CB GLU A 29 -8.881 3.691 -11.789 1.00 0.00 C ATOM 445 CG GLU A 29 -7.879 4.004 -10.690 1.00 0.00 C ATOM 446 CD GLU A 29 -6.505 3.429 -10.972 1.00 0.00 C ATOM 447 OE1 GLU A 29 -5.853 3.891 -11.931 1.00 0.00 O ATOM 448 OE2 GLU A 29 -6.081 2.516 -10.232 1.00 0.00 O ATOM 0 H GLU A 29 -7.435 1.397 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.450 2.116 -13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.897 4.517 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.878 3.626 -11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.799 5.085 -10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.247 3.607 -9.744 1.00 0.00 H new ATOM 455 N GLU A 30 -7.474 3.634 -14.305 1.00 0.00 N ATOM 456 CA GLU A 30 -6.408 3.938 -15.253 1.00 0.00 C ATOM 457 C GLU A 30 -5.318 4.779 -14.595 1.00 0.00 C ATOM 458 O GLU A 30 -4.138 4.653 -14.922 1.00 0.00 O ATOM 459 CB GLU A 30 -6.972 4.675 -16.470 1.00 0.00 C ATOM 460 CG GLU A 30 -8.130 5.601 -16.137 1.00 0.00 C ATOM 461 CD GLU A 30 -8.481 6.531 -17.282 1.00 0.00 C ATOM 462 OE1 GLU A 30 -8.263 6.144 -18.449 1.00 0.00 O ATOM 463 OE2 GLU A 30 -8.973 7.646 -17.011 1.00 0.00 O ATOM 0 H GLU A 30 -8.264 4.278 -14.337 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.968 2.996 -15.580 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.175 5.256 -16.934 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.303 3.943 -17.206 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.004 5.004 -15.877 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.876 6.193 -15.258 1.00 0.00 H new ATOM 470 N VAL A 31 -5.723 5.638 -13.665 1.00 0.00 N ATOM 471 CA VAL A 31 -4.782 6.500 -12.959 1.00 0.00 C ATOM 472 C VAL A 31 -4.626 6.070 -11.505 1.00 0.00 C ATOM 473 O VAL A 31 -5.329 6.563 -10.623 1.00 0.00 O ATOM 474 CB VAL A 31 -5.230 7.973 -13.002 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.288 8.842 -12.183 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.307 8.465 -14.440 1.00 0.00 C ATOM 0 H VAL A 31 -6.696 5.756 -13.383 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.823 6.404 -13.467 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.225 8.044 -12.564 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.621 9.879 -12.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.288 8.503 -11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.279 8.768 -12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.625 9.507 -14.451 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.326 8.380 -14.907 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.026 7.860 -14.993 1.00 0.00 H new ATOM 486 N GLU A 32 -3.701 5.147 -11.262 1.00 0.00 N ATOM 487 CA GLU A 32 -3.453 4.651 -9.914 1.00 0.00 C ATOM 488 C GLU A 32 -3.602 5.769 -8.886 1.00 0.00 C ATOM 489 O GLU A 32 -3.973 5.526 -7.738 1.00 0.00 O ATOM 490 CB GLU A 32 -2.054 4.039 -9.820 1.00 0.00 C ATOM 491 CG GLU A 32 -0.940 5.015 -10.160 1.00 0.00 C ATOM 492 CD GLU A 32 -0.589 5.010 -11.635 1.00 0.00 C ATOM 493 OE1 GLU A 32 -1.423 4.546 -12.441 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.519 5.469 -11.984 1.00 0.00 O ATOM 0 H GLU A 32 -3.111 4.728 -11.981 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.193 3.881 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.899 3.661 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.995 3.184 -10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.241 6.020 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.053 4.765 -9.579 1.00 0.00 H new ATOM 501 N SER A 33 -3.308 6.995 -9.308 1.00 0.00 N ATOM 502 CA SER A 33 -3.404 8.151 -8.424 1.00 0.00 C ATOM 503 C SER A 33 -4.759 8.187 -7.723 1.00 0.00 C ATOM 504 O SER A 33 -4.853 7.955 -6.518 1.00 0.00 O ATOM 505 CB SER A 33 -3.191 9.443 -9.215 1.00 0.00 C ATOM 506 OG SER A 33 -2.613 10.449 -8.402 1.00 0.00 O ATOM 0 H SER A 33 -3.002 7.213 -10.256 1.00 0.00 H new ATOM 0 HA SER A 33 -2.625 8.065 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.545 9.247 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.145 9.793 -9.609 1.00 0.00 H new ATOM 0 HG SER A 33 -2.485 11.264 -8.931 1.00 0.00 H new ATOM 512 N ARG A 34 -5.806 8.481 -8.488 1.00 0.00 N ATOM 513 CA ARG A 34 -7.156 8.550 -7.941 1.00 0.00 C ATOM 514 C ARG A 34 -7.459 7.323 -7.086 1.00 0.00 C ATOM 515 O ARG A 34 -8.204 7.404 -6.109 1.00 0.00 O ATOM 516 CB ARG A 34 -8.181 8.664 -9.071 1.00 0.00 C ATOM 517 CG ARG A 34 -8.384 7.370 -9.842 1.00 0.00 C ATOM 518 CD ARG A 34 -9.405 7.540 -10.956 1.00 0.00 C ATOM 519 NE ARG A 34 -10.762 7.245 -10.505 1.00 0.00 N ATOM 520 CZ ARG A 34 -11.742 6.870 -11.319 1.00 0.00 C ATOM 521 NH1 ARG A 34 -11.516 6.743 -12.619 1.00 0.00 N ATOM 522 NH2 ARG A 34 -12.951 6.619 -10.833 1.00 0.00 N ATOM 0 H ARG A 34 -5.745 8.675 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.221 9.436 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.136 8.982 -8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.861 9.443 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.434 7.044 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.715 6.587 -9.160 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.363 8.562 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.148 6.882 -11.786 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.969 7.332 -9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.588 6.933 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.270 6.455 -13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.129 6.714 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.703 6.331 -11.459 1.00 0.00 H new ATOM 536 N ARG A 35 -6.878 6.188 -7.462 1.00 0.00 N ATOM 537 CA ARG A 35 -7.088 4.944 -6.731 1.00 0.00 C ATOM 538 C ARG A 35 -6.512 5.038 -5.321 1.00 0.00 C ATOM 539 O ARG A 35 -7.118 4.564 -4.360 1.00 0.00 O ATOM 540 CB ARG A 35 -6.446 3.774 -7.478 1.00 0.00 C ATOM 541 CG ARG A 35 -6.901 2.411 -6.982 1.00 0.00 C ATOM 542 CD ARG A 35 -6.054 1.293 -7.569 1.00 0.00 C ATOM 543 NE ARG A 35 -6.036 0.111 -6.712 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.732 -1.107 -7.146 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.422 -1.302 -8.420 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.738 -2.133 -6.304 1.00 0.00 N ATOM 0 H ARG A 35 -6.259 6.104 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.162 4.773 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.678 3.861 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.362 3.843 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.842 2.380 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.946 2.256 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.442 1.022 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.035 1.650 -7.716 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.270 0.227 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.416 -0.516 -9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.189 -2.238 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.976 -1.986 -5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.504 -3.068 -6.638 1.00 0.00 H new ATOM 560 N TRP A 36 -5.340 5.652 -5.206 1.00 0.00 N ATOM 561 CA TRP A 36 -4.682 5.807 -3.914 1.00 0.00 C ATOM 562 C TRP A 36 -5.377 6.872 -3.073 1.00 0.00 C ATOM 563 O TRP A 36 -5.565 6.699 -1.870 1.00 0.00 O ATOM 564 CB TRP A 36 -3.210 6.175 -4.109 1.00 0.00 C ATOM 565 CG TRP A 36 -2.526 5.352 -5.159 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.735 5.811 -6.173 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.575 3.928 -5.299 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.289 4.758 -6.935 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.790 3.592 -6.419 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.204 2.904 -4.586 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.620 2.277 -6.841 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.035 1.599 -5.006 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.247 1.294 -6.125 1.00 0.00 C ATOM 0 H TRP A 36 -4.826 6.051 -5.992 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.745 4.855 -3.386 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.139 7.228 -4.380 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.684 6.053 -3.162 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.495 6.849 -6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.683 4.832 -7.752 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.812 3.129 -3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.014 2.041 -7.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.518 0.800 -4.463 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.133 0.264 -6.427 1.00 0.00 H new ATOM 584 N GLN A 37 -5.757 7.972 -3.716 1.00 0.00 N ATOM 585 CA GLN A 37 -6.432 9.065 -3.025 1.00 0.00 C ATOM 586 C GLN A 37 -7.673 8.563 -2.295 1.00 0.00 C ATOM 587 O GLN A 37 -7.850 8.815 -1.103 1.00 0.00 O ATOM 588 CB GLN A 37 -6.819 10.162 -4.018 1.00 0.00 C ATOM 589 CG GLN A 37 -7.503 11.355 -3.371 1.00 0.00 C ATOM 590 CD GLN A 37 -6.611 12.070 -2.375 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.709 12.816 -2.756 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.860 11.846 -1.090 1.00 0.00 N ATOM 0 H GLN A 37 -5.609 8.130 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.742 9.478 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.923 10.504 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.482 9.739 -4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.811 12.057 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.409 11.020 -2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.618 11.220 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.293 12.300 -0.374 1.00 0.00 H new ATOM 601 N LYS A 38 -8.532 7.851 -3.017 1.00 0.00 N ATOM 602 CA LYS A 38 -9.757 7.313 -2.439 1.00 0.00 C ATOM 603 C LYS A 38 -9.453 6.488 -1.192 1.00 0.00 C ATOM 604 O LYS A 38 -10.031 6.717 -0.129 1.00 0.00 O ATOM 605 CB LYS A 38 -10.495 6.451 -3.467 1.00 0.00 C ATOM 606 CG LYS A 38 -10.956 7.225 -4.689 1.00 0.00 C ATOM 607 CD LYS A 38 -11.337 6.293 -5.828 1.00 0.00 C ATOM 608 CE LYS A 38 -11.158 6.963 -7.181 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.250 7.934 -7.469 1.00 0.00 N ATOM 0 H LYS A 38 -8.402 7.633 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.393 8.151 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.840 5.640 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.361 5.992 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.811 7.848 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.162 7.896 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.724 5.393 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.374 5.979 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.198 7.478 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.133 6.203 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.984 8.524 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.126 7.417 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.404 8.540 -6.638 1.00 0.00 H new ATOM 623 N ILE A 39 -8.544 5.529 -1.330 1.00 0.00 N ATOM 624 CA ILE A 39 -8.162 4.673 -0.214 1.00 0.00 C ATOM 625 C ILE A 39 -7.627 5.496 0.953 1.00 0.00 C ATOM 626 O ILE A 39 -7.975 5.254 2.108 1.00 0.00 O ATOM 627 CB ILE A 39 -7.097 3.643 -0.633 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.690 2.636 -1.621 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.540 2.929 0.590 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.672 2.057 -2.579 1.00 0.00 C ATOM 0 H ILE A 39 -8.058 5.325 -2.204 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.062 4.145 0.100 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.279 4.168 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.155 1.823 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.480 3.123 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.788 2.204 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.085 3.658 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.348 2.413 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.163 1.352 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.224 2.861 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.895 1.541 -2.016 1.00 0.00 H new ATOM 642 N ALA A 40 -6.779 6.470 0.642 1.00 0.00 N ATOM 643 CA ALA A 40 -6.198 7.333 1.663 1.00 0.00 C ATOM 644 C ALA A 40 -7.282 7.970 2.525 1.00 0.00 C ATOM 645 O ALA A 40 -7.249 7.875 3.752 1.00 0.00 O ATOM 646 CB ALA A 40 -5.334 8.407 1.019 1.00 0.00 C ATOM 0 H ALA A 40 -6.479 6.682 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.571 6.718 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.907 9.044 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.530 7.936 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.945 9.012 0.348 1.00 0.00 H new ATOM 652 N ASP A 41 -8.242 8.619 1.876 1.00 0.00 N ATOM 653 CA ASP A 41 -9.337 9.272 2.584 1.00 0.00 C ATOM 654 C ASP A 41 -9.854 8.391 3.717 1.00 0.00 C ATOM 655 O ASP A 41 -9.938 8.827 4.865 1.00 0.00 O ATOM 656 CB ASP A 41 -10.475 9.599 1.616 1.00 0.00 C ATOM 657 CG ASP A 41 -11.326 10.759 2.093 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.761 11.842 2.354 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.557 10.584 2.205 1.00 0.00 O ATOM 0 H ASP A 41 -8.284 8.707 0.861 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.957 10.199 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.058 9.836 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.105 8.718 1.489 1.00 0.00 H new ATOM 664 N GLU A 42 -10.199 7.151 3.385 1.00 0.00 N ATOM 665 CA GLU A 42 -10.710 6.210 4.375 1.00 0.00 C ATOM 666 C GLU A 42 -9.790 6.148 5.591 1.00 0.00 C ATOM 667 O GLU A 42 -10.248 6.192 6.734 1.00 0.00 O ATOM 668 CB GLU A 42 -10.855 4.817 3.760 1.00 0.00 C ATOM 669 CG GLU A 42 -12.154 4.621 2.996 1.00 0.00 C ATOM 670 CD GLU A 42 -13.374 4.677 3.894 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.274 4.238 5.059 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.428 5.161 3.433 1.00 0.00 O ATOM 0 H GLU A 42 -10.134 6.775 2.439 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.690 6.559 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.017 4.637 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.793 4.071 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.238 5.389 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.128 3.659 2.484 1.00 0.00 H new ATOM 679 N LEU A 43 -8.490 6.044 5.337 1.00 0.00 N ATOM 680 CA LEU A 43 -7.504 5.975 6.411 1.00 0.00 C ATOM 681 C LEU A 43 -7.490 7.266 7.222 1.00 0.00 C ATOM 682 O LEU A 43 -7.413 7.240 8.449 1.00 0.00 O ATOM 683 CB LEU A 43 -6.113 5.706 5.835 1.00 0.00 C ATOM 684 CG LEU A 43 -5.918 4.351 5.154 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.765 4.411 4.165 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.679 3.263 6.190 1.00 0.00 C ATOM 0 H LEU A 43 -8.094 6.006 4.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.782 5.155 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.883 6.489 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.385 5.793 6.642 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.828 4.108 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.642 3.438 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.977 5.162 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.848 4.677 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.542 2.306 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.786 3.500 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.538 3.202 6.859 1.00 0.00 H new ATOM 698 N GLY A 44 -7.568 8.397 6.526 1.00 0.00 N ATOM 699 CA GLY A 44 -7.565 9.683 7.198 1.00 0.00 C ATOM 700 C GLY A 44 -6.168 10.142 7.566 1.00 0.00 C ATOM 701 O GLY A 44 -5.829 11.313 7.402 1.00 0.00 O ATOM 0 H GLY A 44 -7.633 8.445 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.030 10.428 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.173 9.619 8.101 1.00 0.00 H new ATOM 705 N ASN A 45 -5.356 9.217 8.068 1.00 0.00 N ATOM 706 CA ASN A 45 -3.988 9.534 8.462 1.00 0.00 C ATOM 707 C ASN A 45 -3.039 9.423 7.273 1.00 0.00 C ATOM 708 O ASN A 45 -2.197 10.294 7.055 1.00 0.00 O ATOM 709 CB ASN A 45 -3.529 8.599 9.583 1.00 0.00 C ATOM 710 CG ASN A 45 -3.848 9.147 10.961 1.00 0.00 C ATOM 711 OD1 ASN A 45 -2.972 9.669 11.651 1.00 0.00 O ATOM 712 ND2 ASN A 45 -5.107 9.031 11.367 1.00 0.00 N ATOM 0 H ASN A 45 -5.621 8.243 8.211 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.970 10.562 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.009 7.628 9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.454 8.436 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.381 9.382 12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.800 8.591 10.761 1.00 0.00 H new ATOM 719 N ARG A 46 -3.183 8.348 6.506 1.00 0.00 N ATOM 720 CA ARG A 46 -2.339 8.123 5.338 1.00 0.00 C ATOM 721 C ARG A 46 -2.795 8.984 4.164 1.00 0.00 C ATOM 722 O ARG A 46 -3.902 9.524 4.168 1.00 0.00 O ATOM 723 CB ARG A 46 -2.363 6.646 4.942 1.00 0.00 C ATOM 724 CG ARG A 46 -1.526 5.758 5.847 1.00 0.00 C ATOM 725 CD ARG A 46 -0.052 6.127 5.780 1.00 0.00 C ATOM 726 NE ARG A 46 0.783 5.181 6.516 1.00 0.00 N ATOM 727 CZ ARG A 46 0.826 5.117 7.843 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.086 5.938 8.574 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.611 4.229 8.439 1.00 0.00 N ATOM 0 H ARG A 46 -3.876 7.619 6.672 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.319 8.405 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.394 6.293 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.004 6.548 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.879 5.848 6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.655 4.715 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.267 6.158 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.090 7.128 6.187 1.00 0.00 H new ATOM 0 HE ARG A 46 1.365 4.535 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.519 6.622 8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.121 5.886 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.181 3.596 7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.644 4.180 9.457 1.00 0.00 H new ATOM 743 N THR A 47 -1.934 9.108 3.158 1.00 0.00 N ATOM 744 CA THR A 47 -2.247 9.904 1.978 1.00 0.00 C ATOM 745 C THR A 47 -2.001 9.112 0.700 1.00 0.00 C ATOM 746 O THR A 47 -1.273 8.120 0.704 1.00 0.00 O ATOM 747 CB THR A 47 -1.413 11.198 1.936 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.048 10.892 1.628 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.485 11.933 3.266 1.00 0.00 C ATOM 0 H THR A 47 -1.014 8.667 3.137 1.00 0.00 H new ATOM 0 HA THR A 47 -3.304 10.164 2.043 1.00 0.00 H new ATOM 0 HB THR A 47 -1.825 11.843 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.475 11.720 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.888 12.843 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.521 12.191 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.097 11.292 4.058 1.00 0.00 H new ATOM 757 N ALA A 48 -2.611 9.557 -0.394 1.00 0.00 N ATOM 758 CA ALA A 48 -2.456 8.891 -1.681 1.00 0.00 C ATOM 759 C ALA A 48 -1.043 8.342 -1.847 1.00 0.00 C ATOM 760 O ALA A 48 -0.852 7.149 -2.086 1.00 0.00 O ATOM 761 CB ALA A 48 -2.789 9.848 -2.815 1.00 0.00 C ATOM 0 H ALA A 48 -3.218 10.377 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.151 8.052 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.669 9.336 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.819 10.188 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.118 10.706 -2.776 1.00 0.00 H new ATOM 767 N LYS A 49 -0.053 9.220 -1.721 1.00 0.00 N ATOM 768 CA LYS A 49 1.343 8.825 -1.856 1.00 0.00 C ATOM 769 C LYS A 49 1.680 7.681 -0.905 1.00 0.00 C ATOM 770 O LYS A 49 1.903 6.550 -1.335 1.00 0.00 O ATOM 771 CB LYS A 49 2.262 10.018 -1.582 1.00 0.00 C ATOM 772 CG LYS A 49 2.579 10.838 -2.820 1.00 0.00 C ATOM 773 CD LYS A 49 3.675 10.193 -3.651 1.00 0.00 C ATOM 774 CE LYS A 49 5.016 10.234 -2.933 1.00 0.00 C ATOM 775 NZ LYS A 49 6.155 10.294 -3.890 1.00 0.00 N ATOM 0 H LYS A 49 -0.193 10.211 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 49 1.499 8.482 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.794 10.664 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.194 9.656 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.679 10.947 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.888 11.841 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.408 9.158 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.758 10.707 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.049 11.102 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.118 9.351 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.051 10.321 -3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.139 9.453 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.072 11.150 -4.475 1.00 0.00 H new ATOM 789 N GLN A 50 1.714 7.984 0.389 1.00 0.00 N ATOM 790 CA GLN A 50 2.023 6.980 1.400 1.00 0.00 C ATOM 791 C GLN A 50 1.395 5.637 1.043 1.00 0.00 C ATOM 792 O GLN A 50 1.982 4.582 1.284 1.00 0.00 O ATOM 793 CB GLN A 50 1.527 7.439 2.773 1.00 0.00 C ATOM 794 CG GLN A 50 2.148 8.747 3.238 1.00 0.00 C ATOM 795 CD GLN A 50 3.637 8.625 3.500 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.137 7.545 3.817 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.354 9.734 3.367 1.00 0.00 N ATOM 0 H GLN A 50 1.532 8.916 0.761 1.00 0.00 H new ATOM 0 HA GLN A 50 3.105 6.857 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.443 7.553 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.744 6.662 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.977 9.515 2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.649 9.079 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.898 10.607 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.361 9.713 3.529 1.00 0.00 H new ATOM 806 N VAL A 51 0.198 5.683 0.468 1.00 0.00 N ATOM 807 CA VAL A 51 -0.510 4.469 0.077 1.00 0.00 C ATOM 808 C VAL A 51 0.097 3.862 -1.183 1.00 0.00 C ATOM 809 O VAL A 51 0.224 2.643 -1.297 1.00 0.00 O ATOM 810 CB VAL A 51 -2.005 4.746 -0.168 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.713 3.482 -0.632 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.657 5.301 1.089 1.00 0.00 C ATOM 0 H VAL A 51 -0.302 6.548 0.262 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.410 3.763 0.902 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.094 5.494 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.768 3.697 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.262 3.132 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.617 2.710 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.713 5.491 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.559 4.578 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.167 6.232 1.372 1.00 0.00 H new ATOM 822 N ALA A 52 0.470 4.720 -2.127 1.00 0.00 N ATOM 823 CA ALA A 52 1.065 4.268 -3.378 1.00 0.00 C ATOM 824 C ALA A 52 2.338 3.468 -3.123 1.00 0.00 C ATOM 825 O ALA A 52 2.483 2.344 -3.603 1.00 0.00 O ATOM 826 CB ALA A 52 1.359 5.456 -4.282 1.00 0.00 C ATOM 0 H ALA A 52 0.370 5.732 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 52 0.349 3.614 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.803 5.104 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.432 5.986 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.053 6.131 -3.781 1.00 0.00 H new ATOM 832 N SER A 53 3.259 4.055 -2.364 1.00 0.00 N ATOM 833 CA SER A 53 4.522 3.398 -2.049 1.00 0.00 C ATOM 834 C SER A 53 4.280 2.055 -1.366 1.00 0.00 C ATOM 835 O SER A 53 4.957 1.069 -1.656 1.00 0.00 O ATOM 836 CB SER A 53 5.376 4.294 -1.150 1.00 0.00 C ATOM 837 OG SER A 53 5.950 5.358 -1.888 1.00 0.00 O ATOM 0 H SER A 53 3.154 4.984 -1.956 1.00 0.00 H new ATOM 0 HA SER A 53 5.054 3.220 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.762 4.696 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.165 3.702 -0.686 1.00 0.00 H new ATOM 0 HG SER A 53 6.489 5.917 -1.290 1.00 0.00 H new ATOM 843 N GLN A 54 3.310 2.026 -0.458 1.00 0.00 N ATOM 844 CA GLN A 54 2.979 0.805 0.267 1.00 0.00 C ATOM 845 C GLN A 54 2.482 -0.276 -0.687 1.00 0.00 C ATOM 846 O GLN A 54 2.953 -1.413 -0.653 1.00 0.00 O ATOM 847 CB GLN A 54 1.919 1.091 1.331 1.00 0.00 C ATOM 848 CG GLN A 54 1.984 0.149 2.523 1.00 0.00 C ATOM 849 CD GLN A 54 3.289 0.263 3.287 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.151 1.074 2.947 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.440 -0.550 4.325 1.00 0.00 N ATOM 0 H GLN A 54 2.740 2.834 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 54 3.884 0.444 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.036 2.116 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.931 1.020 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.154 0.363 3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.858 -0.877 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.699 -1.207 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.297 -0.518 4.877 1.00 0.00 H new ATOM 860 N VAL A 55 1.526 0.086 -1.537 1.00 0.00 N ATOM 861 CA VAL A 55 0.965 -0.853 -2.501 1.00 0.00 C ATOM 862 C VAL A 55 2.062 -1.509 -3.333 1.00 0.00 C ATOM 863 O VAL A 55 1.960 -2.679 -3.700 1.00 0.00 O ATOM 864 CB VAL A 55 -0.034 -0.158 -3.445 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.559 -1.139 -4.483 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.178 0.454 -2.652 1.00 0.00 C ATOM 0 H VAL A 55 1.124 1.023 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 55 0.441 -1.618 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 55 0.485 0.645 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.263 -0.630 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.273 -1.526 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.063 -1.965 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.874 0.941 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.698 -0.329 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.783 1.190 -1.952 1.00 0.00 H new ATOM 876 N GLN A 56 3.110 -0.746 -3.626 1.00 0.00 N ATOM 877 CA GLN A 56 4.226 -1.253 -4.415 1.00 0.00 C ATOM 878 C GLN A 56 4.829 -2.496 -3.769 1.00 0.00 C ATOM 879 O GLN A 56 4.961 -3.540 -4.409 1.00 0.00 O ATOM 880 CB GLN A 56 5.300 -0.174 -4.572 1.00 0.00 C ATOM 881 CG GLN A 56 4.845 1.022 -5.393 1.00 0.00 C ATOM 882 CD GLN A 56 4.611 0.674 -6.850 1.00 0.00 C ATOM 883 OE1 GLN A 56 3.494 0.011 -7.128 1.00 0.00 O flip ATOM 884 NE2 GLN A 56 5.424 0.998 -7.716 1.00 0.00 N flip ATOM 0 H GLN A 56 3.209 0.225 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 56 3.847 -1.525 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.606 0.169 -3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.179 -0.614 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.925 1.422 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.596 1.810 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.269 1.507 -7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.252 0.758 -8.692 1.00 0.00 H new ATOM 893 N LYS A 57 5.194 -2.378 -2.497 1.00 0.00 N ATOM 894 CA LYS A 57 5.782 -3.492 -1.763 1.00 0.00 C ATOM 895 C LYS A 57 4.719 -4.521 -1.392 1.00 0.00 C ATOM 896 O LYS A 57 5.000 -5.492 -0.688 1.00 0.00 O ATOM 897 CB LYS A 57 6.479 -2.985 -0.498 1.00 0.00 C ATOM 898 CG LYS A 57 7.844 -2.372 -0.760 1.00 0.00 C ATOM 899 CD LYS A 57 8.474 -1.845 0.518 1.00 0.00 C ATOM 900 CE LYS A 57 9.507 -0.767 0.228 1.00 0.00 C ATOM 901 NZ LYS A 57 10.822 -1.349 -0.156 1.00 0.00 N ATOM 0 H LYS A 57 5.093 -1.521 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 57 6.517 -3.972 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.843 -2.243 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.590 -3.813 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.499 -3.119 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.747 -1.560 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.698 -1.441 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.946 -2.666 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.146 -0.124 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.632 -0.137 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.499 -0.582 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.179 -1.942 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.708 -1.930 -1.011 1.00 0.00 H new ATOM 915 N TYR A 58 3.499 -4.304 -1.871 1.00 0.00 N ATOM 916 CA TYR A 58 2.394 -5.212 -1.589 1.00 0.00 C ATOM 917 C TYR A 58 2.126 -6.129 -2.778 1.00 0.00 C ATOM 918 O TYR A 58 1.728 -7.282 -2.610 1.00 0.00 O ATOM 919 CB TYR A 58 1.131 -4.421 -1.245 1.00 0.00 C ATOM 920 CG TYR A 58 0.986 -4.123 0.230 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.076 -3.710 0.986 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.241 -4.255 0.868 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.948 -3.437 2.334 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.379 -3.983 2.216 1.00 0.00 C ATOM 925 CZ TYR A 58 0.719 -3.574 2.944 1.00 0.00 C ATOM 926 OH TYR A 58 0.587 -3.304 4.287 1.00 0.00 O ATOM 0 H TYR A 58 3.250 -3.507 -2.457 1.00 0.00 H new ATOM 0 HA TYR A 58 2.672 -5.828 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.139 -3.482 -1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.259 -4.981 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.040 -3.601 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.102 -4.576 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.806 -3.118 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.340 -4.090 2.696 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.343 -3.449 4.560 1.00 0.00 H new ATOM 936 N PHE A 59 2.346 -5.608 -3.980 1.00 0.00 N ATOM 937 CA PHE A 59 2.128 -6.378 -5.199 1.00 0.00 C ATOM 938 C PHE A 59 3.452 -6.689 -5.890 1.00 0.00 C ATOM 939 O PHE A 59 3.659 -7.795 -6.390 1.00 0.00 O ATOM 940 CB PHE A 59 1.209 -5.613 -6.154 1.00 0.00 C ATOM 941 CG PHE A 59 -0.182 -5.421 -5.621 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.393 -4.764 -4.419 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.279 -5.896 -6.322 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.672 -4.587 -3.927 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.560 -5.721 -5.835 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.757 -5.064 -4.636 1.00 0.00 C ATOM 0 H PHE A 59 2.675 -4.655 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 59 1.652 -7.319 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.647 -4.637 -6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.156 -6.149 -7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.451 -4.386 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.131 -6.409 -7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.823 -4.076 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.406 -6.097 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.757 -4.924 -4.254 1.00 0.00 H new ATOM 956 N ILE A 60 4.345 -5.705 -5.914 1.00 0.00 N ATOM 957 CA ILE A 60 5.649 -5.874 -6.543 1.00 0.00 C ATOM 958 C ILE A 60 6.574 -6.720 -5.674 1.00 0.00 C ATOM 959 O ILE A 60 7.408 -7.470 -6.183 1.00 0.00 O ATOM 960 CB ILE A 60 6.322 -4.515 -6.816 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.368 -3.593 -7.578 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.613 -4.711 -7.596 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.879 -2.176 -7.716 1.00 0.00 C ATOM 0 H ILE A 60 4.189 -4.783 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 60 5.478 -6.384 -7.491 1.00 0.00 H new ATOM 0 HB ILE A 60 6.564 -4.048 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.193 -4.006 -8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.406 -3.575 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.077 -3.742 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.295 -5.336 -7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.393 -5.196 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.152 -1.579 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.027 -1.745 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.826 -2.182 -8.255 1.00 0.00 H new