USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 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 Set 1.1: A 54 GLN : amide:sc= -6.29! C(o=-6.3!,f=-9.6!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -1.41 (180deg=-1.93) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.933 (180deg=-1.62!) USER MOD Single : A 21 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.2!) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= 0.985 (180deg=-0.0307) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.244 (180deg=-0.953) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.476 F(o=-0.98,f=-0.48) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0718 K(o=-0.072,f=-2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.387 1.302 8.649 1.00 0.00 N ATOM 117 CA TRP A 11 2.949 1.341 8.891 1.00 0.00 C ATOM 118 C TRP A 11 2.594 0.609 10.181 1.00 0.00 C ATOM 119 O TRP A 11 3.411 -0.127 10.734 1.00 0.00 O ATOM 120 CB TRP A 11 2.196 0.720 7.714 1.00 0.00 C ATOM 121 CG TRP A 11 2.186 1.587 6.491 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.268 2.152 5.879 1.00 0.00 C ATOM 123 CD2 TRP A 11 1.039 1.988 5.734 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.863 2.881 4.787 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.500 2.795 4.676 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.332 1.742 5.845 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.637 3.357 3.738 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.187 2.300 4.914 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.700 3.100 3.872 1.00 0.00 C ATOM 0 HA TRP A 11 2.651 2.384 8.994 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.650 -0.239 7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.168 0.518 8.016 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.292 2.042 6.205 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.477 3.402 4.161 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.717 1.126 6.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.010 3.974 2.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.249 2.116 4.991 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.394 3.522 3.160 1.00 0.00 H new ATOM 140 N THR A 12 1.369 0.815 10.656 1.00 0.00 N ATOM 141 CA THR A 12 0.907 0.175 11.881 1.00 0.00 C ATOM 142 C THR A 12 -0.155 -0.877 11.584 1.00 0.00 C ATOM 143 O THR A 12 -0.994 -0.696 10.702 1.00 0.00 O ATOM 144 CB THR A 12 0.330 1.206 12.869 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.265 0.535 13.986 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.708 2.086 12.189 1.00 0.00 C ATOM 0 H THR A 12 0.679 1.420 10.210 1.00 0.00 H new ATOM 0 HA THR A 12 1.774 -0.306 12.334 1.00 0.00 H new ATOM 0 HB THR A 12 1.147 1.838 13.218 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.628 1.198 14.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.101 2.806 12.907 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.246 2.618 11.358 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.522 1.465 11.815 1.00 0.00 H new ATOM 154 N VAL A 13 -0.114 -1.978 12.327 1.00 0.00 N ATOM 155 CA VAL A 13 -1.075 -3.060 12.145 1.00 0.00 C ATOM 156 C VAL A 13 -2.434 -2.521 11.716 1.00 0.00 C ATOM 157 O VAL A 13 -2.956 -2.891 10.665 1.00 0.00 O ATOM 158 CB VAL A 13 -1.245 -3.883 13.436 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.361 -4.903 13.276 1.00 0.00 C ATOM 160 CG2 VAL A 13 0.063 -4.566 13.808 1.00 0.00 C ATOM 0 H VAL A 13 0.574 -2.145 13.061 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.680 -3.706 11.361 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.518 -3.205 14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.466 -5.475 14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.297 -4.388 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.121 -5.579 12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.075 -5.143 14.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.368 -5.232 13.001 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.834 -3.813 13.967 1.00 0.00 H new ATOM 170 N GLU A 14 -3.003 -1.644 12.538 1.00 0.00 N ATOM 171 CA GLU A 14 -4.303 -1.054 12.243 1.00 0.00 C ATOM 172 C GLU A 14 -4.422 -0.713 10.760 1.00 0.00 C ATOM 173 O GLU A 14 -5.221 -1.308 10.038 1.00 0.00 O ATOM 174 CB GLU A 14 -4.520 0.205 13.086 1.00 0.00 C ATOM 175 CG GLU A 14 -4.569 -0.065 14.580 1.00 0.00 C ATOM 176 CD GLU A 14 -5.391 0.964 15.332 1.00 0.00 C ATOM 177 OE1 GLU A 14 -6.551 1.202 14.936 1.00 0.00 O ATOM 178 OE2 GLU A 14 -4.873 1.532 16.317 1.00 0.00 O ATOM 0 H GLU A 14 -2.584 -1.327 13.412 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.071 -1.786 12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.718 0.913 12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.452 0.681 12.780 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.988 -1.056 14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.554 -0.075 14.977 1.00 0.00 H new ATOM 185 N GLU A 15 -3.622 0.251 10.314 1.00 0.00 N ATOM 186 CA GLU A 15 -3.638 0.672 8.918 1.00 0.00 C ATOM 187 C GLU A 15 -3.329 -0.501 7.992 1.00 0.00 C ATOM 188 O GLU A 15 -4.038 -0.736 7.015 1.00 0.00 O ATOM 189 CB GLU A 15 -2.627 1.797 8.690 1.00 0.00 C ATOM 190 CG GLU A 15 -2.975 3.085 9.416 1.00 0.00 C ATOM 191 CD GLU A 15 -4.306 3.663 8.974 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.348 3.039 9.264 1.00 0.00 O ATOM 193 OE2 GLU A 15 -4.305 4.737 8.338 1.00 0.00 O ATOM 0 H GLU A 15 -2.955 0.755 10.899 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.638 1.040 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.643 1.461 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.557 2.000 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.004 2.896 10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.189 3.819 9.242 1.00 0.00 H new ATOM 200 N GLN A 16 -2.265 -1.232 8.308 1.00 0.00 N ATOM 201 CA GLN A 16 -1.861 -2.379 7.504 1.00 0.00 C ATOM 202 C GLN A 16 -3.077 -3.177 7.044 1.00 0.00 C ATOM 203 O GLN A 16 -3.400 -3.207 5.857 1.00 0.00 O ATOM 204 CB GLN A 16 -0.916 -3.281 8.302 1.00 0.00 C ATOM 205 CG GLN A 16 0.511 -2.761 8.365 1.00 0.00 C ATOM 206 CD GLN A 16 1.498 -3.821 8.811 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.281 -4.508 9.810 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.592 -3.960 8.071 1.00 0.00 N ATOM 0 H GLN A 16 -1.668 -1.050 9.115 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.339 -2.007 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.300 -3.389 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.912 -4.275 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.802 -2.389 7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.556 -1.916 9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.732 -3.369 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.293 -4.657 8.323 1.00 0.00 H new ATOM 217 N LYS A 17 -3.747 -3.824 7.992 1.00 0.00 N ATOM 218 CA LYS A 17 -4.928 -4.622 7.686 1.00 0.00 C ATOM 219 C LYS A 17 -6.048 -3.746 7.134 1.00 0.00 C ATOM 220 O LYS A 17 -6.763 -4.141 6.212 1.00 0.00 O ATOM 221 CB LYS A 17 -5.411 -5.357 8.938 1.00 0.00 C ATOM 222 CG LYS A 17 -5.380 -4.503 10.194 1.00 0.00 C ATOM 223 CD LYS A 17 -6.422 -4.958 11.203 1.00 0.00 C ATOM 224 CE LYS A 17 -5.973 -4.683 12.630 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.217 -5.831 13.204 1.00 0.00 N ATOM 0 H LYS A 17 -3.492 -3.811 8.979 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.654 -5.354 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.429 -5.709 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.790 -6.240 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.389 -4.553 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.558 -3.460 9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.364 -4.444 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.609 -6.025 11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.348 -3.791 12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.844 -4.475 13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.702 -5.518 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.880 -6.589 13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.540 -6.188 12.500 1.00 0.00 H new ATOM 239 N LYS A 18 -6.196 -2.554 7.702 1.00 0.00 N ATOM 240 CA LYS A 18 -7.227 -1.620 7.266 1.00 0.00 C ATOM 241 C LYS A 18 -7.065 -1.283 5.787 1.00 0.00 C ATOM 242 O LYS A 18 -8.036 -0.951 5.106 1.00 0.00 O ATOM 243 CB LYS A 18 -7.171 -0.339 8.101 1.00 0.00 C ATOM 244 CG LYS A 18 -8.324 0.613 7.834 1.00 0.00 C ATOM 245 CD LYS A 18 -7.972 1.627 6.759 1.00 0.00 C ATOM 246 CE LYS A 18 -9.009 2.737 6.679 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.387 2.197 6.516 1.00 0.00 N ATOM 0 H LYS A 18 -5.614 -2.212 8.466 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.197 -2.096 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.168 -0.604 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.232 0.176 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.202 0.045 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.588 1.134 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.993 2.057 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.899 1.125 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.961 3.344 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.775 3.393 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.007 2.939 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.368 1.389 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.749 1.886 7.440 1.00 0.00 H new ATOM 261 N LEU A 19 -5.834 -1.371 5.296 1.00 0.00 N ATOM 262 CA LEU A 19 -5.545 -1.077 3.897 1.00 0.00 C ATOM 263 C LEU A 19 -5.836 -2.287 3.015 1.00 0.00 C ATOM 264 O LEU A 19 -6.549 -2.182 2.018 1.00 0.00 O ATOM 265 CB LEU A 19 -4.085 -0.653 3.735 1.00 0.00 C ATOM 266 CG LEU A 19 -3.539 -0.656 2.307 1.00 0.00 C ATOM 267 CD1 LEU A 19 -4.343 0.287 1.426 1.00 0.00 C ATOM 268 CD2 LEU A 19 -2.066 -0.271 2.298 1.00 0.00 C ATOM 0 H LEU A 19 -5.020 -1.644 5.846 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.191 -0.258 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.972 0.351 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.466 -1.315 4.341 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.633 -1.665 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.940 0.272 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.385 -0.033 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.282 1.299 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.694 -0.278 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.948 0.727 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.499 -0.986 2.895 1.00 0.00 H new ATOM 280 N GLU A 20 -5.280 -3.434 3.391 1.00 0.00 N ATOM 281 CA GLU A 20 -5.481 -4.664 2.634 1.00 0.00 C ATOM 282 C GLU A 20 -6.929 -4.785 2.167 1.00 0.00 C ATOM 283 O GLU A 20 -7.193 -5.170 1.028 1.00 0.00 O ATOM 284 CB GLU A 20 -5.105 -5.880 3.484 1.00 0.00 C ATOM 285 CG GLU A 20 -3.631 -6.242 3.411 1.00 0.00 C ATOM 286 CD GLU A 20 -3.273 -7.415 4.302 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.370 -7.272 5.539 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.897 -8.476 3.763 1.00 0.00 O ATOM 0 H GLU A 20 -4.687 -3.537 4.215 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.836 -4.629 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.371 -5.683 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.697 -6.736 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.370 -6.481 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.034 -5.377 3.699 1.00 0.00 H new ATOM 295 N GLN A 21 -7.860 -4.453 3.054 1.00 0.00 N ATOM 296 CA GLN A 21 -9.281 -4.525 2.733 1.00 0.00 C ATOM 297 C GLN A 21 -9.652 -3.496 1.671 1.00 0.00 C ATOM 298 O GLN A 21 -10.229 -3.835 0.637 1.00 0.00 O ATOM 299 CB GLN A 21 -10.122 -4.302 3.991 1.00 0.00 C ATOM 300 CG GLN A 21 -10.340 -5.566 4.808 1.00 0.00 C ATOM 301 CD GLN A 21 -9.065 -6.360 5.008 1.00 0.00 C ATOM 302 OE1 GLN A 21 -8.287 -6.088 5.923 1.00 0.00 O ATOM 303 NE2 GLN A 21 -8.842 -7.349 4.150 1.00 0.00 N ATOM 0 H GLN A 21 -7.657 -4.132 4.000 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.488 -5.519 2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.634 -3.554 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.091 -3.894 3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.753 -5.298 5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.079 -6.193 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.513 -7.540 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.999 -7.917 4.235 1.00 0.00 H new ATOM 312 N LEU A 22 -9.318 -2.237 1.932 1.00 0.00 N ATOM 313 CA LEU A 22 -9.616 -1.156 0.998 1.00 0.00 C ATOM 314 C LEU A 22 -9.058 -1.465 -0.388 1.00 0.00 C ATOM 315 O LEU A 22 -9.759 -1.343 -1.393 1.00 0.00 O ATOM 316 CB LEU A 22 -9.038 0.163 1.512 1.00 0.00 C ATOM 317 CG LEU A 22 -9.806 0.835 2.650 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.862 1.645 3.526 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.914 1.719 2.097 1.00 0.00 C ATOM 0 H LEU A 22 -8.841 -1.939 2.783 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.699 -1.064 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.017 -0.017 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.981 0.861 0.677 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.261 0.058 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.427 2.116 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.105 0.986 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.377 2.414 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.450 2.189 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.481 2.490 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.606 1.112 1.513 1.00 0.00 H new ATOM 331 N LEU A 23 -7.792 -1.866 -0.434 1.00 0.00 N ATOM 332 CA LEU A 23 -7.139 -2.194 -1.696 1.00 0.00 C ATOM 333 C LEU A 23 -8.089 -2.950 -2.620 1.00 0.00 C ATOM 334 O LEU A 23 -8.218 -2.619 -3.799 1.00 0.00 O ATOM 335 CB LEU A 23 -5.884 -3.031 -1.441 1.00 0.00 C ATOM 336 CG LEU A 23 -4.584 -2.249 -1.249 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.557 -3.094 -0.511 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.035 -1.789 -2.591 1.00 0.00 C ATOM 0 H LEU A 23 -7.198 -1.972 0.388 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.854 -1.261 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.052 -3.641 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.752 -3.716 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.799 -1.367 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.638 -2.521 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.950 -3.372 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.346 -3.995 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.110 -1.234 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.836 -2.657 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.765 -1.146 -3.082 1.00 0.00 H new ATOM 350 N ILE A 24 -8.752 -3.965 -2.076 1.00 0.00 N ATOM 351 CA ILE A 24 -9.692 -4.765 -2.851 1.00 0.00 C ATOM 352 C ILE A 24 -10.942 -3.963 -3.197 1.00 0.00 C ATOM 353 O ILE A 24 -11.394 -3.960 -4.343 1.00 0.00 O ATOM 354 CB ILE A 24 -10.108 -6.038 -2.090 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.880 -6.896 -1.777 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.122 -6.832 -2.900 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.019 -7.711 -0.510 1.00 0.00 C ATOM 0 H ILE A 24 -8.656 -4.253 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.180 -5.051 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.573 -5.745 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.694 -7.569 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.007 -6.249 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.406 -7.729 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.006 -6.220 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.681 -7.118 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.112 -8.294 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.174 -7.043 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.871 -8.384 -0.602 1.00 0.00 H new ATOM 369 N LYS A 25 -11.496 -3.281 -2.201 1.00 0.00 N ATOM 370 CA LYS A 25 -12.692 -2.471 -2.399 1.00 0.00 C ATOM 371 C LYS A 25 -12.520 -1.529 -3.587 1.00 0.00 C ATOM 372 O LYS A 25 -13.372 -1.471 -4.473 1.00 0.00 O ATOM 373 CB LYS A 25 -13.002 -1.664 -1.136 1.00 0.00 C ATOM 374 CG LYS A 25 -14.168 -0.705 -1.298 1.00 0.00 C ATOM 375 CD LYS A 25 -13.707 0.656 -1.790 1.00 0.00 C ATOM 376 CE LYS A 25 -14.799 1.365 -2.576 1.00 0.00 C ATOM 377 NZ LYS A 25 -14.843 0.915 -3.994 1.00 0.00 N ATOM 0 H LYS A 25 -11.135 -3.273 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.525 -3.143 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.219 -2.352 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.115 -1.099 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.888 -1.122 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.683 -0.593 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.412 1.271 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.824 0.537 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.764 1.178 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.631 2.441 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.833 0.841 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.344 1.604 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.383 -0.014 -4.078 1.00 0.00 H new ATOM 391 N TYR A 26 -11.413 -0.795 -3.598 1.00 0.00 N ATOM 392 CA TYR A 26 -11.131 0.145 -4.677 1.00 0.00 C ATOM 393 C TYR A 26 -10.300 -0.516 -5.772 1.00 0.00 C ATOM 394 O TYR A 26 -9.107 -0.775 -5.612 1.00 0.00 O ATOM 395 CB TYR A 26 -10.395 1.371 -4.133 1.00 0.00 C ATOM 396 CG TYR A 26 -11.287 2.324 -3.370 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.104 3.228 -4.038 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.313 2.320 -1.981 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.921 4.100 -3.345 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.127 3.188 -1.279 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.929 4.076 -1.966 1.00 0.00 C ATOM 402 OH TYR A 26 -13.740 4.944 -1.270 1.00 0.00 O ATOM 0 H TYR A 26 -10.697 -0.832 -2.873 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.081 0.461 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.588 1.039 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.933 1.905 -4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.100 3.249 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.686 1.626 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.550 4.796 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.135 3.172 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.627 4.797 -0.308 1.00 0.00 H new ATOM 412 N PRO A 27 -10.945 -0.797 -6.914 1.00 0.00 N ATOM 413 CA PRO A 27 -10.286 -1.431 -8.060 1.00 0.00 C ATOM 414 C PRO A 27 -9.284 -0.503 -8.739 1.00 0.00 C ATOM 415 O PRO A 27 -9.328 0.718 -8.584 1.00 0.00 O ATOM 416 CB PRO A 27 -11.447 -1.748 -9.006 1.00 0.00 C ATOM 417 CG PRO A 27 -12.504 -0.760 -8.653 1.00 0.00 C ATOM 418 CD PRO A 27 -12.367 -0.516 -7.175 1.00 0.00 C ATOM 0 HA PRO A 27 -9.708 -2.306 -7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.146 -1.650 -10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.800 -2.770 -8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.376 0.165 -9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.495 -1.145 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.629 0.508 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.019 -1.171 -6.597 1.00 0.00 H new ATOM 426 N PRO A 28 -8.358 -1.092 -9.510 1.00 0.00 N ATOM 427 CA PRO A 28 -7.329 -0.336 -10.229 1.00 0.00 C ATOM 428 C PRO A 28 -7.907 0.482 -11.379 1.00 0.00 C ATOM 429 O PRO A 28 -8.935 0.123 -11.951 1.00 0.00 O ATOM 430 CB PRO A 28 -6.397 -1.426 -10.764 1.00 0.00 C ATOM 431 CG PRO A 28 -7.254 -2.641 -10.865 1.00 0.00 C ATOM 432 CD PRO A 28 -8.246 -2.542 -9.740 1.00 0.00 C ATOM 0 HA PRO A 28 -6.833 0.390 -9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.983 -1.152 -11.734 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.554 -1.591 -10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.760 -2.682 -11.829 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.656 -3.548 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.206 -2.981 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.897 -3.064 -8.849 1.00 0.00 H new ATOM 440 N GLU A 29 -7.238 1.582 -11.711 1.00 0.00 N ATOM 441 CA GLU A 29 -7.687 2.451 -12.792 1.00 0.00 C ATOM 442 C GLU A 29 -6.498 3.041 -13.545 1.00 0.00 C ATOM 443 O GLU A 29 -5.402 3.158 -13.000 1.00 0.00 O ATOM 444 CB GLU A 29 -8.566 3.576 -12.241 1.00 0.00 C ATOM 445 CG GLU A 29 -7.884 4.412 -11.171 1.00 0.00 C ATOM 446 CD GLU A 29 -8.787 5.494 -10.613 1.00 0.00 C ATOM 447 OE1 GLU A 29 -9.212 6.373 -11.393 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.069 5.464 -9.397 1.00 0.00 O ATOM 0 H GLU A 29 -6.384 1.892 -11.247 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.273 1.850 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.866 4.227 -13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.477 3.144 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.558 3.761 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.989 4.871 -11.590 1.00 0.00 H new ATOM 455 N GLU A 30 -6.726 3.411 -14.802 1.00 0.00 N ATOM 456 CA GLU A 30 -5.673 3.988 -15.630 1.00 0.00 C ATOM 457 C GLU A 30 -4.727 4.842 -14.791 1.00 0.00 C ATOM 458 O GLU A 30 -3.508 4.686 -14.857 1.00 0.00 O ATOM 459 CB GLU A 30 -6.281 4.832 -16.751 1.00 0.00 C ATOM 460 CG GLU A 30 -5.253 5.377 -17.729 1.00 0.00 C ATOM 461 CD GLU A 30 -4.678 6.709 -17.289 1.00 0.00 C ATOM 462 OE1 GLU A 30 -5.366 7.737 -17.461 1.00 0.00 O ATOM 463 OE2 GLU A 30 -3.541 6.724 -16.774 1.00 0.00 O ATOM 0 H GLU A 30 -7.629 3.322 -15.268 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.102 3.170 -16.069 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.005 4.228 -17.297 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.829 5.665 -16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.444 4.655 -17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.715 5.491 -18.710 1.00 0.00 H new ATOM 470 N VAL A 31 -5.299 5.746 -14.001 1.00 0.00 N ATOM 471 CA VAL A 31 -4.508 6.625 -13.148 1.00 0.00 C ATOM 472 C VAL A 31 -4.494 6.126 -11.708 1.00 0.00 C ATOM 473 O VAL A 31 -5.395 6.431 -10.927 1.00 0.00 O ATOM 474 CB VAL A 31 -5.047 8.068 -13.176 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.158 8.986 -12.352 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.161 8.566 -14.608 1.00 0.00 C ATOM 0 H VAL A 31 -6.307 5.888 -13.934 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.491 6.618 -13.541 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.043 8.074 -12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.554 10.001 -12.384 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.133 8.638 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.148 8.978 -12.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.543 9.587 -14.609 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.178 8.546 -15.079 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.843 7.923 -15.164 1.00 0.00 H new ATOM 486 N GLU A 32 -3.465 5.358 -11.363 1.00 0.00 N ATOM 487 CA GLU A 32 -3.335 4.817 -10.015 1.00 0.00 C ATOM 488 C GLU A 32 -3.501 5.916 -8.969 1.00 0.00 C ATOM 489 O GLU A 32 -4.085 5.695 -7.908 1.00 0.00 O ATOM 490 CB GLU A 32 -1.975 4.137 -9.844 1.00 0.00 C ATOM 491 CG GLU A 32 -0.799 5.025 -10.215 1.00 0.00 C ATOM 492 CD GLU A 32 0.430 4.230 -10.609 1.00 0.00 C ATOM 493 OE1 GLU A 32 0.944 3.471 -9.760 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.879 4.367 -11.766 1.00 0.00 O ATOM 0 H GLU A 32 -2.710 5.097 -11.997 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.124 4.079 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.866 3.818 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.948 3.237 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.086 5.676 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.555 5.670 -9.371 1.00 0.00 H new ATOM 501 N SER A 33 -2.983 7.101 -9.276 1.00 0.00 N ATOM 502 CA SER A 33 -3.070 8.234 -8.362 1.00 0.00 C ATOM 503 C SER A 33 -4.471 8.347 -7.769 1.00 0.00 C ATOM 504 O SER A 33 -4.640 8.385 -6.550 1.00 0.00 O ATOM 505 CB SER A 33 -2.704 9.530 -9.087 1.00 0.00 C ATOM 506 OG SER A 33 -2.705 10.631 -8.195 1.00 0.00 O ATOM 0 H SER A 33 -2.499 7.301 -10.151 1.00 0.00 H new ATOM 0 HA SER A 33 -2.363 8.069 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.720 9.429 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.413 9.711 -9.894 1.00 0.00 H new ATOM 0 HG SER A 33 -2.467 11.447 -8.682 1.00 0.00 H new ATOM 512 N ARG A 34 -5.473 8.400 -8.640 1.00 0.00 N ATOM 513 CA ARG A 34 -6.860 8.511 -8.204 1.00 0.00 C ATOM 514 C ARG A 34 -7.200 7.420 -7.193 1.00 0.00 C ATOM 515 O ARG A 34 -7.825 7.685 -6.166 1.00 0.00 O ATOM 516 CB ARG A 34 -7.803 8.420 -9.405 1.00 0.00 C ATOM 517 CG ARG A 34 -7.917 9.717 -10.189 1.00 0.00 C ATOM 518 CD ARG A 34 -8.481 9.478 -11.581 1.00 0.00 C ATOM 519 NE ARG A 34 -8.881 10.723 -12.231 1.00 0.00 N ATOM 520 CZ ARG A 34 -10.033 11.340 -11.991 1.00 0.00 C ATOM 521 NH1 ARG A 34 -10.893 10.830 -11.120 1.00 0.00 N ATOM 522 NH2 ARG A 34 -10.325 12.471 -12.621 1.00 0.00 N ATOM 0 H ARG A 34 -5.350 8.368 -9.652 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.988 9.481 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.453 7.632 -10.072 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.794 8.127 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.558 10.414 -9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.935 10.183 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.733 8.973 -12.193 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.341 8.812 -11.514 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.241 11.142 -12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.671 9.962 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.777 11.306 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.665 12.867 -13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.210 12.944 -12.436 1.00 0.00 H new ATOM 536 N ARG A 35 -6.784 6.193 -7.491 1.00 0.00 N ATOM 537 CA ARG A 35 -7.047 5.062 -6.609 1.00 0.00 C ATOM 538 C ARG A 35 -6.511 5.332 -5.206 1.00 0.00 C ATOM 539 O ARG A 35 -7.268 5.350 -4.235 1.00 0.00 O ATOM 540 CB ARG A 35 -6.411 3.790 -7.173 1.00 0.00 C ATOM 541 CG ARG A 35 -6.500 2.597 -6.236 1.00 0.00 C ATOM 542 CD ARG A 35 -5.815 1.374 -6.824 1.00 0.00 C ATOM 543 NE ARG A 35 -5.774 0.262 -5.878 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.577 -1.002 -6.238 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.403 -1.312 -7.515 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.552 -1.958 -5.318 1.00 0.00 N ATOM 0 H ARG A 35 -6.264 5.957 -8.336 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.126 4.924 -6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.897 3.538 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.363 3.987 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.040 2.849 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.547 2.368 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.341 1.063 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.799 1.635 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.904 0.467 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.420 -0.579 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.252 -2.283 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.684 -1.723 -4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.401 -2.928 -5.595 1.00 0.00 H new ATOM 560 N TRP A 36 -5.203 5.539 -5.107 1.00 0.00 N ATOM 561 CA TRP A 36 -4.566 5.807 -3.823 1.00 0.00 C ATOM 562 C TRP A 36 -5.290 6.923 -3.078 1.00 0.00 C ATOM 563 O TRP A 36 -5.426 6.879 -1.856 1.00 0.00 O ATOM 564 CB TRP A 36 -3.098 6.182 -4.026 1.00 0.00 C ATOM 565 CG TRP A 36 -2.420 5.371 -5.089 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.579 5.833 -6.061 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.527 3.957 -5.288 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.157 4.792 -6.852 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.724 3.630 -6.398 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.221 2.935 -4.635 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.599 2.325 -6.867 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.097 1.641 -5.102 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.290 1.345 -6.209 1.00 0.00 C ATOM 0 H TRP A 36 -4.563 5.526 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.622 4.899 -3.223 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.033 7.238 -4.288 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.564 6.053 -3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.288 6.865 -6.189 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.524 4.871 -7.648 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.844 3.153 -3.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.978 2.095 -7.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.631 0.844 -4.606 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.212 0.323 -6.549 1.00 0.00 H new ATOM 584 N GLN A 37 -5.753 7.922 -3.823 1.00 0.00 N ATOM 585 CA GLN A 37 -6.463 9.050 -3.232 1.00 0.00 C ATOM 586 C GLN A 37 -7.738 8.586 -2.536 1.00 0.00 C ATOM 587 O GLN A 37 -8.036 9.007 -1.418 1.00 0.00 O ATOM 588 CB GLN A 37 -6.801 10.086 -4.305 1.00 0.00 C ATOM 589 CG GLN A 37 -7.512 11.315 -3.762 1.00 0.00 C ATOM 590 CD GLN A 37 -6.788 11.935 -2.583 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.636 12.353 -2.697 1.00 0.00 O ATOM 592 NE2 GLN A 37 -7.462 11.997 -1.441 1.00 0.00 N ATOM 0 H GLN A 37 -5.649 7.973 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.811 9.508 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.881 10.398 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.429 9.619 -5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.606 12.056 -4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.523 11.041 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.416 11.638 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.026 12.403 -0.613 1.00 0.00 H new ATOM 601 N LYS A 38 -8.489 7.717 -3.205 1.00 0.00 N ATOM 602 CA LYS A 38 -9.732 7.195 -2.651 1.00 0.00 C ATOM 603 C LYS A 38 -9.476 6.454 -1.342 1.00 0.00 C ATOM 604 O LYS A 38 -10.171 6.673 -0.349 1.00 0.00 O ATOM 605 CB LYS A 38 -10.408 6.258 -3.655 1.00 0.00 C ATOM 606 CG LYS A 38 -10.777 6.934 -4.964 1.00 0.00 C ATOM 607 CD LYS A 38 -11.418 5.957 -5.935 1.00 0.00 C ATOM 608 CE LYS A 38 -11.732 6.620 -7.268 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.894 5.981 -7.945 1.00 0.00 N ATOM 0 H LYS A 38 -8.258 7.360 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.392 8.038 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.742 5.421 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.309 5.844 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.464 7.757 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.884 7.365 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.749 5.112 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.335 5.559 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.942 7.677 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.858 6.564 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.076 6.461 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.684 4.978 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.735 6.057 -7.337 1.00 0.00 H new ATOM 623 N ILE A 39 -8.476 5.580 -1.348 1.00 0.00 N ATOM 624 CA ILE A 39 -8.128 4.811 -0.160 1.00 0.00 C ATOM 625 C ILE A 39 -7.618 5.719 0.954 1.00 0.00 C ATOM 626 O ILE A 39 -8.109 5.671 2.081 1.00 0.00 O ATOM 627 CB ILE A 39 -7.057 3.749 -0.471 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.567 2.775 -1.536 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.668 3.001 0.796 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.464 2.145 -2.357 1.00 0.00 C ATOM 0 H ILE A 39 -7.893 5.387 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.039 4.312 0.170 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.171 4.251 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.143 1.987 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.249 3.303 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.910 2.254 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.268 3.705 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.547 2.508 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.899 1.467 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.902 2.925 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.795 1.589 -1.701 1.00 0.00 H new ATOM 642 N ALA A 40 -6.631 6.548 0.629 1.00 0.00 N ATOM 643 CA ALA A 40 -6.057 7.471 1.601 1.00 0.00 C ATOM 644 C ALA A 40 -7.146 8.136 2.436 1.00 0.00 C ATOM 645 O ALA A 40 -7.019 8.259 3.654 1.00 0.00 O ATOM 646 CB ALA A 40 -5.214 8.522 0.896 1.00 0.00 C ATOM 0 H ALA A 40 -6.212 6.599 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.418 6.900 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.792 9.204 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.407 8.034 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.838 9.082 0.199 1.00 0.00 H new ATOM 652 N ASP A 41 -8.215 8.563 1.773 1.00 0.00 N ATOM 653 CA ASP A 41 -9.327 9.216 2.454 1.00 0.00 C ATOM 654 C ASP A 41 -9.845 8.352 3.600 1.00 0.00 C ATOM 655 O ASP A 41 -9.993 8.823 4.727 1.00 0.00 O ATOM 656 CB ASP A 41 -10.458 9.507 1.467 1.00 0.00 C ATOM 657 CG ASP A 41 -11.442 10.531 1.998 1.00 0.00 C ATOM 658 OD1 ASP A 41 -11.663 10.558 3.227 1.00 0.00 O ATOM 659 OD2 ASP A 41 -11.990 11.305 1.186 1.00 0.00 O ATOM 0 H ASP A 41 -8.335 8.469 0.764 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.965 10.158 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.034 9.867 0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.988 8.581 1.243 1.00 0.00 H new ATOM 664 N GLU A 42 -10.118 7.085 3.303 1.00 0.00 N ATOM 665 CA GLU A 42 -10.621 6.157 4.309 1.00 0.00 C ATOM 666 C GLU A 42 -9.620 5.995 5.449 1.00 0.00 C ATOM 667 O GLU A 42 -9.980 6.087 6.624 1.00 0.00 O ATOM 668 CB GLU A 42 -10.914 4.795 3.676 1.00 0.00 C ATOM 669 CG GLU A 42 -12.333 4.661 3.150 1.00 0.00 C ATOM 670 CD GLU A 42 -13.308 4.193 4.213 1.00 0.00 C ATOM 671 OE1 GLU A 42 -12.942 3.297 5.001 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.437 4.725 4.256 1.00 0.00 O ATOM 0 H GLU A 42 -9.999 6.678 2.375 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.545 6.568 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.215 4.626 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.734 4.014 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.663 5.623 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.343 3.957 2.318 1.00 0.00 H new ATOM 679 N LEU A 43 -8.363 5.754 5.095 1.00 0.00 N ATOM 680 CA LEU A 43 -7.308 5.579 6.087 1.00 0.00 C ATOM 681 C LEU A 43 -7.231 6.785 7.018 1.00 0.00 C ATOM 682 O LEU A 43 -7.132 6.637 8.235 1.00 0.00 O ATOM 683 CB LEU A 43 -5.960 5.366 5.396 1.00 0.00 C ATOM 684 CG LEU A 43 -5.791 4.044 4.646 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.845 4.216 3.468 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.285 2.959 5.586 1.00 0.00 C ATOM 0 H LEU A 43 -8.049 5.675 4.128 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.546 4.698 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.802 6.183 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.174 5.437 6.148 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.764 3.739 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.737 3.265 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.249 4.962 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.870 4.545 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.171 2.025 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.322 3.257 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.000 2.817 6.396 1.00 0.00 H new ATOM 698 N GLY A 44 -7.279 7.979 6.436 1.00 0.00 N ATOM 699 CA GLY A 44 -7.215 9.194 7.228 1.00 0.00 C ATOM 700 C GLY A 44 -5.806 9.514 7.687 1.00 0.00 C ATOM 701 O GLY A 44 -5.331 10.635 7.517 1.00 0.00 O ATOM 0 H GLY A 44 -7.361 8.127 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.600 10.027 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.863 9.091 8.099 1.00 0.00 H new ATOM 705 N ASN A 45 -5.137 8.525 8.271 1.00 0.00 N ATOM 706 CA ASN A 45 -3.774 8.708 8.758 1.00 0.00 C ATOM 707 C ASN A 45 -2.786 8.772 7.597 1.00 0.00 C ATOM 708 O ASN A 45 -1.915 9.641 7.557 1.00 0.00 O ATOM 709 CB ASN A 45 -3.392 7.569 9.706 1.00 0.00 C ATOM 710 CG ASN A 45 -4.139 7.639 11.024 1.00 0.00 C ATOM 711 OD1 ASN A 45 -4.973 8.520 11.231 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.841 6.708 11.923 1.00 0.00 N ATOM 0 H ASN A 45 -5.516 7.590 8.418 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.732 9.653 9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.600 6.614 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.319 7.603 9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.311 6.704 12.828 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.143 5.996 11.708 1.00 0.00 H new ATOM 719 N ARG A 46 -2.928 7.845 6.655 1.00 0.00 N ATOM 720 CA ARG A 46 -2.048 7.795 5.494 1.00 0.00 C ATOM 721 C ARG A 46 -2.617 8.622 4.344 1.00 0.00 C ATOM 722 O ARG A 46 -3.832 8.780 4.220 1.00 0.00 O ATOM 723 CB ARG A 46 -1.844 6.348 5.043 1.00 0.00 C ATOM 724 CG ARG A 46 -0.935 5.546 5.961 1.00 0.00 C ATOM 725 CD ARG A 46 0.523 5.935 5.779 1.00 0.00 C ATOM 726 NE ARG A 46 1.286 5.795 7.016 1.00 0.00 N ATOM 727 CZ ARG A 46 2.610 5.692 7.056 1.00 0.00 C ATOM 728 NH1 ARG A 46 3.314 5.714 5.933 1.00 0.00 N ATOM 729 NH2 ARG A 46 3.232 5.567 8.222 1.00 0.00 N ATOM 0 H ARG A 46 -3.644 7.119 6.673 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.085 8.218 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.814 5.854 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.424 6.346 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.229 5.708 6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.057 4.482 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.970 5.312 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.582 6.966 5.432 1.00 0.00 H new ATOM 0 HE ARG A 46 0.774 5.775 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.839 5.810 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.330 5.635 5.967 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.693 5.550 9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.248 5.488 8.252 1.00 0.00 H new ATOM 743 N THR A 47 -1.730 9.149 3.506 1.00 0.00 N ATOM 744 CA THR A 47 -2.144 9.961 2.368 1.00 0.00 C ATOM 745 C THR A 47 -1.963 9.203 1.057 1.00 0.00 C ATOM 746 O THR A 47 -1.255 8.198 1.003 1.00 0.00 O ATOM 747 CB THR A 47 -1.349 11.279 2.300 1.00 0.00 C ATOM 748 OG1 THR A 47 -1.571 11.919 1.038 1.00 0.00 O ATOM 749 CG2 THR A 47 0.139 11.024 2.490 1.00 0.00 C ATOM 0 H THR A 47 -0.721 9.028 3.594 1.00 0.00 H new ATOM 0 HA THR A 47 -3.200 10.189 2.510 1.00 0.00 H new ATOM 0 HB THR A 47 -1.695 11.929 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.064 12.757 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.680 11.969 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.308 10.562 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.497 10.358 1.705 1.00 0.00 H new ATOM 757 N ALA A 48 -2.606 9.692 0.003 1.00 0.00 N ATOM 758 CA ALA A 48 -2.514 9.062 -1.309 1.00 0.00 C ATOM 759 C ALA A 48 -1.106 8.535 -1.566 1.00 0.00 C ATOM 760 O ALA A 48 -0.926 7.383 -1.963 1.00 0.00 O ATOM 761 CB ALA A 48 -2.918 10.046 -2.397 1.00 0.00 C ATOM 0 H ALA A 48 -3.197 10.523 0.031 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.200 8.216 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.844 9.562 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.945 10.372 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.255 10.910 -2.370 1.00 0.00 H new ATOM 767 N LYS A 49 -0.110 9.385 -1.338 1.00 0.00 N ATOM 768 CA LYS A 49 1.282 9.005 -1.545 1.00 0.00 C ATOM 769 C LYS A 49 1.619 7.731 -0.776 1.00 0.00 C ATOM 770 O LYS A 49 1.839 6.677 -1.371 1.00 0.00 O ATOM 771 CB LYS A 49 2.212 10.139 -1.106 1.00 0.00 C ATOM 772 CG LYS A 49 2.547 11.115 -2.220 1.00 0.00 C ATOM 773 CD LYS A 49 3.819 10.714 -2.949 1.00 0.00 C ATOM 774 CE LYS A 49 3.519 9.806 -4.132 1.00 0.00 C ATOM 775 NZ LYS A 49 2.634 10.468 -5.130 1.00 0.00 N ATOM 0 H LYS A 49 -0.241 10.342 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 49 1.426 8.815 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.745 10.684 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.137 9.710 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.719 11.159 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.665 12.116 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.338 11.607 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.490 10.204 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.453 9.515 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.045 8.891 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.820 10.074 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.639 10.302 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.823 11.491 -5.138 1.00 0.00 H new ATOM 789 N GLN A 50 1.655 7.837 0.548 1.00 0.00 N ATOM 790 CA GLN A 50 1.964 6.692 1.397 1.00 0.00 C ATOM 791 C GLN A 50 1.288 5.429 0.875 1.00 0.00 C ATOM 792 O GLN A 50 1.875 4.347 0.888 1.00 0.00 O ATOM 793 CB GLN A 50 1.522 6.964 2.836 1.00 0.00 C ATOM 794 CG GLN A 50 2.056 8.271 3.400 1.00 0.00 C ATOM 795 CD GLN A 50 3.392 8.663 2.800 1.00 0.00 C ATOM 796 OE1 GLN A 50 3.395 9.728 2.007 1.00 0.00 O flip ATOM 797 NE2 GLN A 50 4.410 8.016 3.047 1.00 0.00 N flip ATOM 0 H GLN A 50 1.474 8.703 1.056 1.00 0.00 H new ATOM 0 HA GLN A 50 3.043 6.538 1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.433 6.979 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.853 6.142 3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.332 9.065 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.160 8.180 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.361 7.204 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.302 8.292 2.636 1.00 0.00 H new ATOM 806 N VAL A 51 0.048 5.573 0.416 1.00 0.00 N ATOM 807 CA VAL A 51 -0.708 4.444 -0.112 1.00 0.00 C ATOM 808 C VAL A 51 -0.105 3.941 -1.418 1.00 0.00 C ATOM 809 O VAL A 51 -0.038 2.736 -1.659 1.00 0.00 O ATOM 810 CB VAL A 51 -2.183 4.819 -0.350 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.936 3.653 -0.971 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.838 5.256 0.951 1.00 0.00 C ATOM 0 H VAL A 51 -0.454 6.461 0.399 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.658 3.652 0.635 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.220 5.656 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.976 3.936 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.479 3.392 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.893 2.794 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.880 5.517 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.792 4.441 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.312 6.124 1.350 1.00 0.00 H new ATOM 822 N ALA A 52 0.334 4.872 -2.258 1.00 0.00 N ATOM 823 CA ALA A 52 0.934 4.524 -3.540 1.00 0.00 C ATOM 824 C ALA A 52 2.155 3.629 -3.349 1.00 0.00 C ATOM 825 O ALA A 52 2.212 2.520 -3.880 1.00 0.00 O ATOM 826 CB ALA A 52 1.314 5.782 -4.305 1.00 0.00 C ATOM 0 H ALA A 52 0.285 5.874 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 52 0.196 3.970 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.761 5.506 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.422 6.384 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.032 6.359 -3.722 1.00 0.00 H new ATOM 832 N SER A 53 3.129 4.120 -2.589 1.00 0.00 N ATOM 833 CA SER A 53 4.351 3.366 -2.332 1.00 0.00 C ATOM 834 C SER A 53 4.042 2.063 -1.601 1.00 0.00 C ATOM 835 O SER A 53 4.654 1.030 -1.868 1.00 0.00 O ATOM 836 CB SER A 53 5.329 4.206 -1.510 1.00 0.00 C ATOM 837 OG SER A 53 5.643 5.419 -2.173 1.00 0.00 O ATOM 0 H SER A 53 3.096 5.036 -2.141 1.00 0.00 H new ATOM 0 HA SER A 53 4.808 3.124 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.895 4.423 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.242 3.638 -1.334 1.00 0.00 H new ATOM 0 HG SER A 53 6.269 5.938 -1.626 1.00 0.00 H new ATOM 843 N GLN A 54 3.087 2.122 -0.678 1.00 0.00 N ATOM 844 CA GLN A 54 2.698 0.948 0.093 1.00 0.00 C ATOM 845 C GLN A 54 2.152 -0.146 -0.819 1.00 0.00 C ATOM 846 O GLN A 54 2.537 -1.310 -0.710 1.00 0.00 O ATOM 847 CB GLN A 54 1.649 1.324 1.141 1.00 0.00 C ATOM 848 CG GLN A 54 1.258 0.172 2.052 1.00 0.00 C ATOM 849 CD GLN A 54 2.431 -0.370 2.844 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.417 -0.837 2.274 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.330 -0.310 4.167 1.00 0.00 N ATOM 0 H GLN A 54 2.569 2.970 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 54 3.585 0.566 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.033 2.143 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.758 1.694 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.483 0.506 2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.828 -0.630 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.494 0.085 4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.088 -0.659 4.753 1.00 0.00 H new ATOM 860 N VAL A 55 1.251 0.236 -1.720 1.00 0.00 N ATOM 861 CA VAL A 55 0.653 -0.711 -2.652 1.00 0.00 C ATOM 862 C VAL A 55 1.721 -1.421 -3.476 1.00 0.00 C ATOM 863 O VAL A 55 1.589 -2.602 -3.795 1.00 0.00 O ATOM 864 CB VAL A 55 -0.336 -0.013 -3.605 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.885 -1.001 -4.623 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.463 0.638 -2.819 1.00 0.00 C ATOM 0 H VAL A 55 0.920 1.195 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 55 0.113 -1.445 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 55 0.198 0.769 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.582 -0.490 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.064 -1.415 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.404 -1.807 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.152 1.126 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.997 -0.123 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.049 1.378 -2.135 1.00 0.00 H new ATOM 876 N GLN A 56 2.779 -0.692 -3.817 1.00 0.00 N ATOM 877 CA GLN A 56 3.871 -1.252 -4.604 1.00 0.00 C ATOM 878 C GLN A 56 4.486 -2.457 -3.901 1.00 0.00 C ATOM 879 O GLN A 56 4.639 -3.525 -4.495 1.00 0.00 O ATOM 880 CB GLN A 56 4.943 -0.191 -4.856 1.00 0.00 C ATOM 881 CG GLN A 56 4.674 0.667 -6.082 1.00 0.00 C ATOM 882 CD GLN A 56 5.579 1.881 -6.155 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.204 2.264 -5.166 1.00 0.00 O ATOM 884 NE2 GLN A 56 5.654 2.494 -7.330 1.00 0.00 N ATOM 0 H GLN A 56 2.903 0.287 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 56 3.465 -1.581 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.017 0.454 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.909 -0.683 -4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.809 0.064 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.634 0.994 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.119 2.142 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.247 3.317 -7.439 1.00 0.00 H new ATOM 893 N LYS A 57 4.840 -2.279 -2.633 1.00 0.00 N ATOM 894 CA LYS A 57 5.438 -3.352 -1.847 1.00 0.00 C ATOM 895 C LYS A 57 4.374 -4.331 -1.363 1.00 0.00 C ATOM 896 O LYS A 57 4.647 -5.201 -0.535 1.00 0.00 O ATOM 897 CB LYS A 57 6.195 -2.773 -0.649 1.00 0.00 C ATOM 898 CG LYS A 57 7.405 -1.941 -1.039 1.00 0.00 C ATOM 899 CD LYS A 57 7.779 -0.954 0.055 1.00 0.00 C ATOM 900 CE LYS A 57 8.556 -1.631 1.173 1.00 0.00 C ATOM 901 NZ LYS A 57 9.032 -0.651 2.189 1.00 0.00 N ATOM 0 H LYS A 57 4.723 -1.401 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 57 6.137 -3.890 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.514 -2.156 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.519 -3.590 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.250 -2.599 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.194 -1.400 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.378 -0.148 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.875 -0.500 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.924 -2.376 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.410 -2.162 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.557 -1.151 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.656 0.046 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.216 -0.162 2.609 1.00 0.00 H new ATOM 915 N TYR A 58 3.162 -4.186 -1.886 1.00 0.00 N ATOM 916 CA TYR A 58 2.056 -5.058 -1.507 1.00 0.00 C ATOM 917 C TYR A 58 1.752 -6.064 -2.612 1.00 0.00 C ATOM 918 O TYR A 58 1.338 -7.193 -2.344 1.00 0.00 O ATOM 919 CB TYR A 58 0.808 -4.229 -1.199 1.00 0.00 C ATOM 920 CG TYR A 58 0.699 -3.813 0.251 1.00 0.00 C ATOM 921 CD1 TYR A 58 1.830 -3.466 0.981 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.533 -3.768 0.891 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.736 -3.087 2.306 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.636 -3.388 2.215 1.00 0.00 C ATOM 925 CZ TYR A 58 0.501 -3.049 2.918 1.00 0.00 C ATOM 926 OH TYR A 58 0.402 -2.671 4.238 1.00 0.00 O ATOM 0 H TYR A 58 2.920 -3.473 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 58 2.350 -5.607 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.811 -3.337 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.077 -4.805 -1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.799 -3.493 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.425 -4.035 0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.625 -2.822 2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.602 -3.357 2.697 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.537 -2.696 4.516 1.00 0.00 H new ATOM 936 N PHE A 59 1.961 -5.647 -3.857 1.00 0.00 N ATOM 937 CA PHE A 59 1.709 -6.511 -5.004 1.00 0.00 C ATOM 938 C PHE A 59 3.017 -6.915 -5.678 1.00 0.00 C ATOM 939 O PHE A 59 3.174 -8.054 -6.119 1.00 0.00 O ATOM 940 CB PHE A 59 0.801 -5.804 -6.012 1.00 0.00 C ATOM 941 CG PHE A 59 -0.568 -5.499 -5.475 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.724 -4.709 -4.347 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.699 -6.002 -6.098 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.983 -4.428 -3.850 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.960 -5.724 -5.605 1.00 0.00 C ATOM 946 CZ PHE A 59 -3.102 -4.935 -4.480 1.00 0.00 C ATOM 0 H PHE A 59 2.304 -4.717 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 59 1.211 -7.412 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.275 -4.874 -6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.703 -6.428 -6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.148 -4.308 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.594 -6.618 -6.979 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.091 -3.812 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.834 -6.123 -6.099 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.086 -4.715 -4.094 1.00 0.00 H new ATOM 956 N ILE A 60 3.952 -5.974 -5.753 1.00 0.00 N ATOM 957 CA ILE A 60 5.247 -6.232 -6.372 1.00 0.00 C ATOM 958 C ILE A 60 6.075 -7.198 -5.532 1.00 0.00 C ATOM 959 O ILE A 60 6.894 -7.952 -6.059 1.00 0.00 O ATOM 960 CB ILE A 60 6.044 -4.930 -6.573 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.219 -3.919 -7.371 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.362 -5.219 -7.275 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.810 -2.526 -7.377 1.00 0.00 C ATOM 0 H ILE A 60 3.837 -5.026 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 60 5.048 -6.680 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 60 6.262 -4.500 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.125 -4.269 -8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.212 -3.876 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.914 -4.289 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.953 -5.907 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.165 -5.668 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.172 -1.863 -7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.878 -2.155 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.806 -2.555 -7.820 1.00 0.00 H new